smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)cc3)CCC2)CC[N@H+]1C ZINC001440299079 1093423158 /nfs/dbraw/zinc/42/31/58/1093423158.db2.gz JNONXINAULZROT-CRAIPNDOSA-N 2 1 340.471 2.027 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001440599547 1093864639 /nfs/dbraw/zinc/86/46/39/1093864639.db2.gz PDBNCVQPHRGRGY-PBHICJAKSA-N 2 1 348.516 2.288 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001495667975 1101409048 /nfs/dbraw/zinc/40/90/48/1101409048.db2.gz SZXGJANBAONPLZ-OCCSQVGLSA-N 2 1 346.313 2.110 20 30 EEEDMP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccccc1C#N ZINC001447776508 1103303962 /nfs/dbraw/zinc/30/39/62/1103303962.db2.gz GPOMENDZAOENRR-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccccc1C#N ZINC001447776508 1103303974 /nfs/dbraw/zinc/30/39/74/1103303974.db2.gz GPOMENDZAOENRR-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1C#N ZINC001447776508 1103303982 /nfs/dbraw/zinc/30/39/82/1103303982.db2.gz GPOMENDZAOENRR-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1C#N ZINC001447776508 1103303990 /nfs/dbraw/zinc/30/39/90/1103303990.db2.gz GPOMENDZAOENRR-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480713171 1106941395 /nfs/dbraw/zinc/94/13/95/1106941395.db2.gz ZJBLMCQYWFJHET-RBUKOAKNSA-N 2 1 342.487 2.417 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000344966804 161260339 /nfs/dbraw/zinc/26/03/39/161260339.db2.gz GECNWBMMFMIVNN-CALCHBBNSA-N 2 1 342.487 2.321 20 30 EEEDMP [O-]C(=[NH+]C[C@@H]1CCCn2ccnc21)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000328614351 465071605 /nfs/dbraw/zinc/07/16/05/465071605.db2.gz RAJZWEQPHBOYFC-KBPBESRZSA-N 2 1 328.420 2.277 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000067203393 462978626 /nfs/dbraw/zinc/97/86/26/462978626.db2.gz JPVVLZDZJZOXRN-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000067203395 462979171 /nfs/dbraw/zinc/97/91/71/462979171.db2.gz JPVVLZDZJZOXRN-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP CN(CCC#N)C(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000179368461 464121442 /nfs/dbraw/zinc/12/14/42/464121442.db2.gz BCNQGAMRJLAMNF-UHFFFAOYSA-N 2 1 342.487 2.345 20 30 EEEDMP CN(CCC#N)C(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000179368461 464121448 /nfs/dbraw/zinc/12/14/48/464121448.db2.gz BCNQGAMRJLAMNF-UHFFFAOYSA-N 2 1 342.487 2.345 20 30 EEEDMP C[N@H+](CCN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1)Cc1ccccc1 ZINC000292979845 464379377 /nfs/dbraw/zinc/37/93/77/464379377.db2.gz FEPCCAJXVWIGGK-UXHICEINSA-N 2 1 326.488 2.428 20 30 EEEDMP C[N@@H+](CCN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1)Cc1ccccc1 ZINC000292979845 464379381 /nfs/dbraw/zinc/37/93/81/464379381.db2.gz FEPCCAJXVWIGGK-UXHICEINSA-N 2 1 326.488 2.428 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000330018785 465508734 /nfs/dbraw/zinc/50/87/34/465508734.db2.gz UCBKKKBXEDKEFE-OAHLLOKOSA-N 2 1 344.463 2.400 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000330018785 465508738 /nfs/dbraw/zinc/50/87/38/465508738.db2.gz UCBKKKBXEDKEFE-OAHLLOKOSA-N 2 1 344.463 2.400 20 30 EEEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330197716 465565745 /nfs/dbraw/zinc/56/57/45/465565745.db2.gz SEOWZLRGMDXIFV-BBWFWOEESA-N 2 1 331.464 2.197 20 30 EEEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330197716 465565748 /nfs/dbraw/zinc/56/57/48/465565748.db2.gz SEOWZLRGMDXIFV-BBWFWOEESA-N 2 1 331.464 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000299164093 465632021 /nfs/dbraw/zinc/63/20/21/465632021.db2.gz SUIHEANPWLZQAT-FQEVSTJZSA-N 2 1 339.483 2.112 20 30 EEEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000424132723 466986330 /nfs/dbraw/zinc/98/63/30/466986330.db2.gz IMFNQKFERPRMPZ-QGZVFWFLSA-N 2 1 348.878 2.395 20 30 EEEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000424132723 466986332 /nfs/dbraw/zinc/98/63/32/466986332.db2.gz IMFNQKFERPRMPZ-QGZVFWFLSA-N 2 1 348.878 2.395 20 30 EEEDMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615352 468933746 /nfs/dbraw/zinc/93/37/46/468933746.db2.gz XBOHKXVXAVHGFL-ROUUACIJSA-N 2 1 330.476 2.136 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000660705251 471453382 /nfs/dbraw/zinc/45/33/82/471453382.db2.gz UJHWMOCYZAQMEI-IBGZPJMESA-N 2 1 342.487 2.211 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC000749546307 577977917 /nfs/dbraw/zinc/97/79/17/577977917.db2.gz OQDJDNVKNFOFLE-QRQLOZEOSA-N 2 1 329.444 2.272 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(OCC#N)cc1 ZINC000749546307 577977918 /nfs/dbraw/zinc/97/79/18/577977918.db2.gz OQDJDNVKNFOFLE-QRQLOZEOSA-N 2 1 329.444 2.272 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001021285372 675916531 /nfs/dbraw/zinc/91/65/31/675916531.db2.gz JGRVEQZDGVHFIR-NXEWRWPSSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001021285372 675916532 /nfs/dbraw/zinc/91/65/32/675916532.db2.gz JGRVEQZDGVHFIR-NXEWRWPSSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021285372 675916534 /nfs/dbraw/zinc/91/65/34/675916534.db2.gz JGRVEQZDGVHFIR-NXEWRWPSSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021285372 675916536 /nfs/dbraw/zinc/91/65/36/675916536.db2.gz JGRVEQZDGVHFIR-NXEWRWPSSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707741 676366780 /nfs/dbraw/zinc/36/67/80/676366780.db2.gz YGKZWIJSRMJFNW-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001022201447 676727164 /nfs/dbraw/zinc/72/71/64/676727164.db2.gz IQTDGTFGAPNNCO-FGTMMUONSA-N 2 1 349.438 2.069 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588692 679397763 /nfs/dbraw/zinc/39/77/63/679397763.db2.gz ITLMKGWNDDIOHW-GOSISDBHSA-N 2 1 329.488 2.419 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001023671980 679467594 /nfs/dbraw/zinc/46/75/94/679467594.db2.gz QHUZWRCBRGYGHK-MRXNPFEDSA-N 2 1 339.443 2.285 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001023671980 679467595 /nfs/dbraw/zinc/46/75/95/679467595.db2.gz QHUZWRCBRGYGHK-MRXNPFEDSA-N 2 1 339.443 2.285 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001023671980 679467598 /nfs/dbraw/zinc/46/75/98/679467598.db2.gz QHUZWRCBRGYGHK-MRXNPFEDSA-N 2 1 339.443 2.285 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000972689133 679606229 /nfs/dbraw/zinc/60/62/29/679606229.db2.gz SZGUWGWOVBOLGE-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689133 679606235 /nfs/dbraw/zinc/60/62/35/679606235.db2.gz SZGUWGWOVBOLGE-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689133 679606237 /nfs/dbraw/zinc/60/62/37/679606237.db2.gz SZGUWGWOVBOLGE-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001026893998 685260102 /nfs/dbraw/zinc/26/01/02/685260102.db2.gz SZGBBOAUULPWGI-HKUYNNGSSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001026893998 685260106 /nfs/dbraw/zinc/26/01/06/685260106.db2.gz SZGBBOAUULPWGI-HKUYNNGSSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@H](F)CC)CC1 ZINC001024813231 681466132 /nfs/dbraw/zinc/46/61/32/681466132.db2.gz WURYTXVGCMUTHH-QZTJIDSGSA-N 2 1 337.483 2.050 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCC2)CC1 ZINC001024813303 681466179 /nfs/dbraw/zinc/46/61/79/681466179.db2.gz YVNKHSSJCMVXJJ-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557177 681645256 /nfs/dbraw/zinc/64/52/56/681645256.db2.gz NFTNZYVPEDBJAA-OLMNPRSZSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557177 681645259 /nfs/dbraw/zinc/64/52/59/681645259.db2.gz NFTNZYVPEDBJAA-OLMNPRSZSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557177 681645262 /nfs/dbraw/zinc/64/52/62/681645262.db2.gz NFTNZYVPEDBJAA-OLMNPRSZSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557177 681645265 /nfs/dbraw/zinc/64/52/65/681645265.db2.gz NFTNZYVPEDBJAA-OLMNPRSZSA-N 2 1 339.911 2.251 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247257 682316175 /nfs/dbraw/zinc/31/61/75/682316175.db2.gz JYHNPFQLHQTGOK-ZWKOTPCHSA-N 2 1 329.488 2.094 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253865 682342405 /nfs/dbraw/zinc/34/24/05/682342405.db2.gz XOZYTARGHUWFAC-MSOLQXFVSA-N 2 1 328.460 2.060 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253865 682342408 /nfs/dbraw/zinc/34/24/08/682342408.db2.gz XOZYTARGHUWFAC-MSOLQXFVSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492780 682918335 /nfs/dbraw/zinc/91/83/35/682918335.db2.gz FBWOZNLWVOUUCV-PKOBYXMFSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025597495 683080935 /nfs/dbraw/zinc/08/09/35/683080935.db2.gz RAIMEWQOAOQZKO-HUUCEWRRSA-N 2 1 325.884 2.051 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC000992746400 683361180 /nfs/dbraw/zinc/36/11/80/683361180.db2.gz WPMCTGQOFSOTCD-QXAKKESOSA-N 2 1 345.531 2.489 20 30 EEEDMP CC(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000189082977 684651551 /nfs/dbraw/zinc/65/15/51/684651551.db2.gz VEHJBRCDDUWGAD-IBGZPJMESA-N 2 1 346.519 2.128 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985328748 686336954 /nfs/dbraw/zinc/33/69/54/686336954.db2.gz XQQOKEKXXXOWEB-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000985328748 686336963 /nfs/dbraw/zinc/33/69/63/686336963.db2.gz XQQOKEKXXXOWEB-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000985328748 686336969 /nfs/dbraw/zinc/33/69/69/686336969.db2.gz XQQOKEKXXXOWEB-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1SCCc2ccccc21 ZINC000262505041 686513179 /nfs/dbraw/zinc/51/31/79/686513179.db2.gz BCWZGNWOEJOACP-DOTOQJQBSA-N 2 1 332.517 2.406 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1 ZINC000985473009 686977157 /nfs/dbraw/zinc/97/71/57/686977157.db2.gz DUTHGBHZSIHTGA-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CCCC2)CC1 ZINC000985473009 686977166 /nfs/dbraw/zinc/97/71/66/686977166.db2.gz DUTHGBHZSIHTGA-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1 ZINC000985473009 686977171 /nfs/dbraw/zinc/97/71/71/686977171.db2.gz DUTHGBHZSIHTGA-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2CCCC2)CC1 ZINC000985473009 686977177 /nfs/dbraw/zinc/97/71/77/686977177.db2.gz DUTHGBHZSIHTGA-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2CCCC2)CC1 ZINC000985473009 686977184 /nfs/dbraw/zinc/97/71/84/686977184.db2.gz DUTHGBHZSIHTGA-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000304759462 687019708 /nfs/dbraw/zinc/01/97/08/687019708.db2.gz RGJMVSYLYVRIGK-KRWDZBQOSA-N 2 1 347.463 2.306 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029758207 687023022 /nfs/dbraw/zinc/02/30/22/687023022.db2.gz VGTUPYBWYISJEM-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029758207 687023025 /nfs/dbraw/zinc/02/30/25/687023025.db2.gz VGTUPYBWYISJEM-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029758207 687023027 /nfs/dbraw/zinc/02/30/27/687023027.db2.gz VGTUPYBWYISJEM-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029758207 687023029 /nfs/dbraw/zinc/02/30/29/687023029.db2.gz VGTUPYBWYISJEM-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029758207 687023032 /nfs/dbraw/zinc/02/30/32/687023032.db2.gz VGTUPYBWYISJEM-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000985713322 687532587 /nfs/dbraw/zinc/53/25/87/687532587.db2.gz SALBFJINTAONBK-UHFFFAOYSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000985747050 687608768 /nfs/dbraw/zinc/60/87/68/687608768.db2.gz OQNBNBYUNIARBY-FQEVSTJZSA-N 2 1 327.472 2.019 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001421764964 1181489976 /nfs/dbraw/zinc/48/99/76/1181489976.db2.gz CYLGLDHQYCGITP-JSGCOSHPSA-N 2 1 346.313 2.111 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001203431326 1188079234 /nfs/dbraw/zinc/07/92/34/1188079234.db2.gz AMFBSKHWQPMDIZ-UHFFFAOYSA-N 2 1 341.499 2.351 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001105576520 1188190734 /nfs/dbraw/zinc/19/07/34/1188190734.db2.gz GCDMBNPXQPRCFE-SFHVURJKSA-N 2 1 342.487 2.356 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000843815137 1188619511 /nfs/dbraw/zinc/61/95/11/1188619511.db2.gz PDUVDNVGMCQZLS-IHPCNDPISA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000843815137 1188619512 /nfs/dbraw/zinc/61/95/12/1188619512.db2.gz PDUVDNVGMCQZLS-IHPCNDPISA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000843815137 1188619514 /nfs/dbraw/zinc/61/95/14/1188619514.db2.gz PDUVDNVGMCQZLS-IHPCNDPISA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000843815137 1188619515 /nfs/dbraw/zinc/61/95/15/1188619515.db2.gz PDUVDNVGMCQZLS-IHPCNDPISA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000843815137 1188619516 /nfs/dbraw/zinc/61/95/16/1188619516.db2.gz PDUVDNVGMCQZLS-IHPCNDPISA-N 2 1 339.483 2.111 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076086067 1188702951 /nfs/dbraw/zinc/70/29/51/1188702951.db2.gz NKOVOZQXUCYHIR-IPMKNSEASA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001076187055 1188771744 /nfs/dbraw/zinc/77/17/44/1188771744.db2.gz PQFBXMSQMGLLTL-YQVWRLOYSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001076187055 1188771747 /nfs/dbraw/zinc/77/17/47/1188771747.db2.gz PQFBXMSQMGLLTL-YQVWRLOYSA-N 2 1 342.487 2.253 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034139186 1195812095 /nfs/dbraw/zinc/81/20/95/1195812095.db2.gz SJSGOLLJAIWSFR-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001034139186 1195812097 /nfs/dbraw/zinc/81/20/97/1195812097.db2.gz SJSGOLLJAIWSFR-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001034139186 1195812099 /nfs/dbraw/zinc/81/20/99/1195812099.db2.gz SJSGOLLJAIWSFR-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210985 1195949708 /nfs/dbraw/zinc/94/97/08/1195949708.db2.gz JVKHJQWVIWPJHJ-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210985 1195949712 /nfs/dbraw/zinc/94/97/12/1195949712.db2.gz JVKHJQWVIWPJHJ-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210985 1195949718 /nfs/dbraw/zinc/94/97/18/1195949718.db2.gz JVKHJQWVIWPJHJ-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000888572331 1197726586 /nfs/dbraw/zinc/72/65/86/1197726586.db2.gz NCEHGOJFYMNALW-UHFFFAOYSA-N 2 1 326.444 2.356 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132377706 1199639970 /nfs/dbraw/zinc/63/99/70/1199639970.db2.gz ZPBFVOAHTPNJLC-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132377706 1199639973 /nfs/dbraw/zinc/63/99/73/1199639973.db2.gz ZPBFVOAHTPNJLC-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001132931740 1200208508 /nfs/dbraw/zinc/20/85/08/1200208508.db2.gz CUYQYMFDGDJZDQ-CABCVRRESA-N 2 1 334.464 2.000 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132933581 1200211597 /nfs/dbraw/zinc/21/15/97/1200211597.db2.gz ROEVLSHHSMHOIF-HOTGVXAUSA-N 2 1 348.491 2.390 20 30 EEEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](CCCc3ccc(C#N)cc3)[C@@H]2C1 ZINC001274891904 1205201785 /nfs/dbraw/zinc/20/17/85/1205201785.db2.gz HBCBFLBOZZIVFO-VQTJNVASSA-N 2 1 326.488 2.059 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2CC1 ZINC001275588601 1205433645 /nfs/dbraw/zinc/43/36/45/1205433645.db2.gz GAYUIZBTAINLCE-IYBDPMFKSA-N 2 1 332.517 2.325 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2CC1 ZINC001275588601 1205433646 /nfs/dbraw/zinc/43/36/46/1205433646.db2.gz GAYUIZBTAINLCE-IYBDPMFKSA-N 2 1 332.517 2.325 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2CC1 ZINC001275588601 1205433647 /nfs/dbraw/zinc/43/36/47/1205433647.db2.gz GAYUIZBTAINLCE-IYBDPMFKSA-N 2 1 332.517 2.325 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2CC1 ZINC001275588601 1205433648 /nfs/dbraw/zinc/43/36/48/1205433648.db2.gz GAYUIZBTAINLCE-IYBDPMFKSA-N 2 1 332.517 2.325 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2CC1 ZINC001275588601 1205433650 /nfs/dbraw/zinc/43/36/50/1205433650.db2.gz GAYUIZBTAINLCE-IYBDPMFKSA-N 2 1 332.517 2.325 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111096901 1208166939 /nfs/dbraw/zinc/16/69/39/1208166939.db2.gz CBTJARYJBACQMJ-MANSERQUSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947857670 1208748488 /nfs/dbraw/zinc/74/84/88/1208748488.db2.gz PSIVPNHVRDYBDG-WBVHZDCISA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947857670 1208748493 /nfs/dbraw/zinc/74/84/93/1208748493.db2.gz PSIVPNHVRDYBDG-WBVHZDCISA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000949382925 1209659482 /nfs/dbraw/zinc/65/94/82/1209659482.db2.gz MEBFIYYTPKRUKL-UHFFFAOYSA-N 2 1 349.519 2.130 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303718911 1213892801 /nfs/dbraw/zinc/89/28/01/1213892801.db2.gz VLQAEHDUJWSMLU-QGZVFWFLSA-N 2 1 349.910 2.261 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)CC1 ZINC000957621051 1215264495 /nfs/dbraw/zinc/26/44/95/1215264495.db2.gz VJUVIGSDYMWOMJ-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](CC)C(C)C)CC2)CC1 ZINC000957778123 1215422898 /nfs/dbraw/zinc/42/28/98/1215422898.db2.gz QVFJMIYFBNKWSP-UHFFFAOYSA-N 2 1 333.520 2.301 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960487426 1216622248 /nfs/dbraw/zinc/62/22/48/1216622248.db2.gz NDOQRRWYEVTABJ-WMLDXEAASA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000960487426 1216622253 /nfs/dbraw/zinc/62/22/53/1216622253.db2.gz NDOQRRWYEVTABJ-WMLDXEAASA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000960487426 1216622255 /nfs/dbraw/zinc/62/22/55/1216622255.db2.gz NDOQRRWYEVTABJ-WMLDXEAASA-N 2 1 346.500 2.137 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373053 1217162602 /nfs/dbraw/zinc/16/26/02/1217162602.db2.gz FWKLGQPOGHWDOD-MOPGFXCFSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928465 1221679536 /nfs/dbraw/zinc/67/95/36/1221679536.db2.gz LNRUVYOQECKZTN-OALUTQOASA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928465 1221679539 /nfs/dbraw/zinc/67/95/39/1221679539.db2.gz LNRUVYOQECKZTN-OALUTQOASA-N 2 1 333.520 2.491 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001016340735 1226367455 /nfs/dbraw/zinc/36/74/55/1226367455.db2.gz ZKEVZLDTNROUKZ-WOJBJXKFSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(=C)C)CC2 ZINC001016670346 1226757236 /nfs/dbraw/zinc/75/72/36/1226757236.db2.gz QQLODEADHQSYID-ZWKOTPCHSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(=C)C)CC2 ZINC001016670346 1226757239 /nfs/dbraw/zinc/75/72/39/1226757239.db2.gz QQLODEADHQSYID-ZWKOTPCHSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001018986040 1228607780 /nfs/dbraw/zinc/60/77/80/1228607780.db2.gz PXBYGMKBBUJZAV-ROUUACIJSA-N 2 1 345.874 2.128 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001018986040 1228607786 /nfs/dbraw/zinc/60/77/86/1228607786.db2.gz PXBYGMKBBUJZAV-ROUUACIJSA-N 2 1 345.874 2.128 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001020174491 1229531788 /nfs/dbraw/zinc/53/17/88/1229531788.db2.gz CPWUUORVOICFJE-CADBVGFASA-N 2 1 340.471 2.025 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039172937 1230397807 /nfs/dbraw/zinc/39/78/07/1230397807.db2.gz JNTCDORDASFZKF-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039172937 1230397812 /nfs/dbraw/zinc/39/78/12/1230397812.db2.gz JNTCDORDASFZKF-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001039290072 1230511271 /nfs/dbraw/zinc/51/12/71/1230511271.db2.gz ZYIQTMDQUAIMIG-ALOPSCKCSA-N 2 1 342.487 2.450 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001039422699 1230600579 /nfs/dbraw/zinc/60/05/79/1230600579.db2.gz LJULBFZNMZTAHU-AABGKKOBSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001039422699 1230600583 /nfs/dbraw/zinc/60/05/83/1230600583.db2.gz LJULBFZNMZTAHU-AABGKKOBSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001039422699 1230600586 /nfs/dbraw/zinc/60/05/86/1230600586.db2.gz LJULBFZNMZTAHU-AABGKKOBSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001039422699 1230600589 /nfs/dbraw/zinc/60/05/89/1230600589.db2.gz LJULBFZNMZTAHU-AABGKKOBSA-N 2 1 343.515 2.482 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505618 1231571000 /nfs/dbraw/zinc/57/10/00/1231571000.db2.gz LBBSQIWPDKWZHN-ICSRJNTNSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001041680527 1231647992 /nfs/dbraw/zinc/64/79/92/1231647992.db2.gz TXFZHBOLPQTQTE-WMLDXEAASA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041680527 1231647994 /nfs/dbraw/zinc/64/79/94/1231647994.db2.gz TXFZHBOLPQTQTE-WMLDXEAASA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041680527 1231647995 /nfs/dbraw/zinc/64/79/95/1231647995.db2.gz TXFZHBOLPQTQTE-WMLDXEAASA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041680527 1231647997 /nfs/dbraw/zinc/64/79/97/1231647997.db2.gz TXFZHBOLPQTQTE-WMLDXEAASA-N 2 1 325.884 2.005 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042205639 1231955826 /nfs/dbraw/zinc/95/58/26/1231955826.db2.gz YPWGMRBFPLFQMS-WBVHZDCISA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042205639 1231955828 /nfs/dbraw/zinc/95/58/28/1231955828.db2.gz YPWGMRBFPLFQMS-WBVHZDCISA-N 2 1 331.460 2.454 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254284 1231985118 /nfs/dbraw/zinc/98/51/18/1231985118.db2.gz KEEYQCXVIYXQHQ-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254284 1231985120 /nfs/dbraw/zinc/98/51/20/1231985120.db2.gz KEEYQCXVIYXQHQ-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042369346 1232051169 /nfs/dbraw/zinc/05/11/69/1232051169.db2.gz WTSXGJRNHPKZIG-QFBILLFUSA-N 2 1 327.472 2.471 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NC2(C)CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001045639949 1233876680 /nfs/dbraw/zinc/87/66/80/1233876680.db2.gz VYTSABZVILRWOL-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045942580 1234200966 /nfs/dbraw/zinc/20/09/66/1234200966.db2.gz VGDUAVSIEQUCTL-AZUAARDMSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961141 1234235937 /nfs/dbraw/zinc/23/59/37/1234235937.db2.gz HMNXQRAIONJSCZ-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001045961141 1234235941 /nfs/dbraw/zinc/23/59/41/1234235941.db2.gz HMNXQRAIONJSCZ-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001045961141 1234235942 /nfs/dbraw/zinc/23/59/42/1234235942.db2.gz HMNXQRAIONJSCZ-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3nc[nH]c31)C2 ZINC001045965840 1234243937 /nfs/dbraw/zinc/24/39/37/1234243937.db2.gz LXUNIEKZJVVTIQ-OXQOHEQNSA-N 2 1 340.471 2.167 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCc3nc[nH]c31)C2 ZINC001045965837 1234244545 /nfs/dbraw/zinc/24/45/45/1234244545.db2.gz LXUNIEKZJVVTIQ-JXFKEZNVSA-N 2 1 340.471 2.167 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045967085 1234247362 /nfs/dbraw/zinc/24/73/62/1234247362.db2.gz MUZGVRCJYNNJAZ-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045967085 1234247363 /nfs/dbraw/zinc/24/73/63/1234247363.db2.gz MUZGVRCJYNNJAZ-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045967085 1234247365 /nfs/dbraw/zinc/24/73/65/1234247365.db2.gz MUZGVRCJYNNJAZ-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265705 1235778622 /nfs/dbraw/zinc/77/86/22/1235778622.db2.gz VRUZPNDKGFYCCU-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001048534495 1237900481 /nfs/dbraw/zinc/90/04/81/1237900481.db2.gz YKKNNSOMOCVAPG-YVSFHVDLSA-N 2 1 328.460 2.306 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001048534495 1237900492 /nfs/dbraw/zinc/90/04/92/1237900492.db2.gz YKKNNSOMOCVAPG-YVSFHVDLSA-N 2 1 328.460 2.306 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048538560 1237908180 /nfs/dbraw/zinc/90/81/80/1237908180.db2.gz ZUKPDZIEAYBMFZ-UHZRXMQZSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)C2 ZINC001048538560 1237908192 /nfs/dbraw/zinc/90/81/92/1237908192.db2.gz ZUKPDZIEAYBMFZ-UHZRXMQZSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)C2 ZINC001048538560 1237908197 /nfs/dbraw/zinc/90/81/97/1237908197.db2.gz ZUKPDZIEAYBMFZ-UHZRXMQZSA-N 2 1 343.515 2.386 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049234406 1240336536 /nfs/dbraw/zinc/33/65/36/1240336536.db2.gz FIVDMNBALXRYPP-IXDOHACOSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001000557181 1240511002 /nfs/dbraw/zinc/51/10/02/1240511002.db2.gz KNTHCUHIATZNRH-HNNXBMFYSA-N 2 1 345.834 2.214 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560551 1241419997 /nfs/dbraw/zinc/41/99/97/1241419997.db2.gz FCIKVOPRBVUELV-MOPGFXCFSA-N 2 1 336.439 2.345 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049598275 1241593025 /nfs/dbraw/zinc/59/30/25/1241593025.db2.gz MFTFXQLRVHTQMP-RBUKOAKNSA-N 2 1 342.487 2.403 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049598275 1241593033 /nfs/dbraw/zinc/59/30/33/1241593033.db2.gz MFTFXQLRVHTQMP-RBUKOAKNSA-N 2 1 342.487 2.403 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001049720940 1241988956 /nfs/dbraw/zinc/98/89/56/1241988956.db2.gz UZOKHZRZTRXHJN-QKLQHJQFSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049720940 1241988961 /nfs/dbraw/zinc/98/89/61/1241988961.db2.gz UZOKHZRZTRXHJN-QKLQHJQFSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049720940 1241988965 /nfs/dbraw/zinc/98/89/65/1241988965.db2.gz UZOKHZRZTRXHJN-QKLQHJQFSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001049838930 1242371336 /nfs/dbraw/zinc/37/13/36/1242371336.db2.gz ZHYLYHWDTSKWOD-ZVDOUQERSA-N 2 1 339.483 2.162 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001049838930 1242371345 /nfs/dbraw/zinc/37/13/45/1242371345.db2.gz ZHYLYHWDTSKWOD-ZVDOUQERSA-N 2 1 339.483 2.162 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101388180 1245751738 /nfs/dbraw/zinc/75/17/38/1245751738.db2.gz QTUXCFFPPOQBHM-MDZRGWNJSA-N 2 1 330.476 2.335 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3cnc[nH]3)C[C@]2(C)C1 ZINC001101388180 1245751742 /nfs/dbraw/zinc/75/17/42/1245751742.db2.gz QTUXCFFPPOQBHM-MDZRGWNJSA-N 2 1 330.476 2.335 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3cnc[nH]3)C[C@]2(C)C1 ZINC001101388180 1245751745 /nfs/dbraw/zinc/75/17/45/1245751745.db2.gz QTUXCFFPPOQBHM-MDZRGWNJSA-N 2 1 330.476 2.335 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CCCn3ccnc3C)C[C@]2(C)C1 ZINC001101394032 1245758193 /nfs/dbraw/zinc/75/81/93/1245758193.db2.gz QLRALOADUIHTLS-MJGOQNOKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394032 1245758201 /nfs/dbraw/zinc/75/82/01/1245758201.db2.gz QLRALOADUIHTLS-MJGOQNOKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394032 1245758205 /nfs/dbraw/zinc/75/82/05/1245758205.db2.gz QLRALOADUIHTLS-MJGOQNOKSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001101582237 1245989714 /nfs/dbraw/zinc/98/97/14/1245989714.db2.gz FQBZVXQPQOJIEP-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054050852 1247241153 /nfs/dbraw/zinc/24/11/53/1247241153.db2.gz NFSAKBXLWISPNC-HXUWFJFHSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145087 1247515993 /nfs/dbraw/zinc/51/59/93/1247515993.db2.gz JXZXCABODDDIER-FUHWJXTLSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054185327 1247650276 /nfs/dbraw/zinc/65/02/76/1247650276.db2.gz YXPXSWFJZBNDLV-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054185327 1247650286 /nfs/dbraw/zinc/65/02/86/1247650286.db2.gz YXPXSWFJZBNDLV-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054185327 1247650290 /nfs/dbraw/zinc/65/02/90/1247650290.db2.gz YXPXSWFJZBNDLV-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071676512 1254496477 /nfs/dbraw/zinc/49/64/77/1254496477.db2.gz MNHIQVMYOLEEBI-HOTGVXAUSA-N 2 1 339.443 2.426 20 30 EEEDMP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074811941 1257148856 /nfs/dbraw/zinc/14/88/56/1257148856.db2.gz OUOPCJAWYDLLQB-JQFCIGGWSA-N 2 1 346.500 2.183 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001098991433 1257919056 /nfs/dbraw/zinc/91/90/56/1257919056.db2.gz YJASAOGTELSCBE-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001098991433 1257919061 /nfs/dbraw/zinc/91/90/61/1257919061.db2.gz YJASAOGTELSCBE-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001098991433 1257919065 /nfs/dbraw/zinc/91/90/65/1257919065.db2.gz YJASAOGTELSCBE-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099519185 1258188086 /nfs/dbraw/zinc/18/80/86/1258188086.db2.gz FYKMNFSJKGXJTJ-MHORFTMASA-N 2 1 331.504 2.073 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001099519188 1258188186 /nfs/dbraw/zinc/18/81/86/1258188186.db2.gz FYKMNFSJKGXJTJ-XSLAGTTESA-N 2 1 331.504 2.073 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCCC3CCC3)C2)CC1 ZINC001194246466 1282956289 /nfs/dbraw/zinc/95/62/89/1282956289.db2.gz MYIDJAPKMQCDGZ-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001196163206 1283930324 /nfs/dbraw/zinc/93/03/24/1283930324.db2.gz ITEUDHGPXYVMTL-IBGZPJMESA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001196163206 1283930331 /nfs/dbraw/zinc/93/03/31/1283930331.db2.gz ITEUDHGPXYVMTL-IBGZPJMESA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001196163206 1283930336 /nfs/dbraw/zinc/93/03/36/1283930336.db2.gz ITEUDHGPXYVMTL-IBGZPJMESA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001110708056 1293510678 /nfs/dbraw/zinc/51/06/78/1293510678.db2.gz IZPHOGCGCHGDFE-IEWDOMPSSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001110708056 1293510684 /nfs/dbraw/zinc/51/06/84/1293510684.db2.gz IZPHOGCGCHGDFE-IEWDOMPSSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001110708056 1293510689 /nfs/dbraw/zinc/51/06/89/1293510689.db2.gz IZPHOGCGCHGDFE-IEWDOMPSSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001110708056 1293510696 /nfs/dbraw/zinc/51/06/96/1293510696.db2.gz IZPHOGCGCHGDFE-IEWDOMPSSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526831 1296072300 /nfs/dbraw/zinc/07/23/00/1296072300.db2.gz XCOQVQJMINBNOZ-FGTMMUONSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001213526831 1296072315 /nfs/dbraw/zinc/07/23/15/1296072315.db2.gz XCOQVQJMINBNOZ-FGTMMUONSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001213526831 1296072324 /nfs/dbraw/zinc/07/23/24/1296072324.db2.gz XCOQVQJMINBNOZ-FGTMMUONSA-N 2 1 337.508 2.031 20 30 EEEDMP Cn1cncc1CN1c2ccccc2[C@@]2(CC[N@@H+](CCCC#N)C2)C1=O ZINC001276951796 1300454657 /nfs/dbraw/zinc/45/46/57/1300454657.db2.gz RWTJZTLKGRFRTE-FQEVSTJZSA-N 2 1 349.438 2.214 20 30 EEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001227792149 1301967255 /nfs/dbraw/zinc/96/72/55/1301967255.db2.gz LGTNXJQXKCRWSA-IBGZPJMESA-N 2 1 349.519 2.177 20 30 EEEDMP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001228054465 1302078109 /nfs/dbraw/zinc/07/81/09/1302078109.db2.gz QWOLRIVZMAAKEX-UHFFFAOYSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001228054465 1302078116 /nfs/dbraw/zinc/07/81/16/1302078116.db2.gz QWOLRIVZMAAKEX-UHFFFAOYSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[C@@H](C(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1)[NH+](C)C ZINC001229224290 1302682474 /nfs/dbraw/zinc/68/24/74/1302682474.db2.gz WYMMVMSUXPTVCK-SFHVURJKSA-N 2 1 346.450 2.118 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001229860572 1302968752 /nfs/dbraw/zinc/96/87/52/1302968752.db2.gz XBXKZNBFBKDUID-RTBURBONSA-N 2 1 342.487 2.417 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001230373922 1303181534 /nfs/dbraw/zinc/18/15/34/1303181534.db2.gz FCBYXQYTVPXHOC-UHFFFAOYSA-N 2 1 345.462 2.098 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001230373922 1303181537 /nfs/dbraw/zinc/18/15/37/1303181537.db2.gz FCBYXQYTVPXHOC-UHFFFAOYSA-N 2 1 345.462 2.098 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846339 1303497508 /nfs/dbraw/zinc/49/75/08/1303497508.db2.gz GCNJIFYADJHAJB-PKOBYXMFSA-N 2 1 344.503 2.164 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846339 1303497511 /nfs/dbraw/zinc/49/75/11/1303497511.db2.gz GCNJIFYADJHAJB-PKOBYXMFSA-N 2 1 344.503 2.164 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846339 1303497513 /nfs/dbraw/zinc/49/75/13/1303497513.db2.gz GCNJIFYADJHAJB-PKOBYXMFSA-N 2 1 344.503 2.164 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)C[N@@H+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846798 1303498809 /nfs/dbraw/zinc/49/88/09/1303498809.db2.gz XQJGSIHRDJJNBJ-GOSISDBHSA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)C[NH+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846798 1303498814 /nfs/dbraw/zinc/49/88/14/1303498814.db2.gz XQJGSIHRDJJNBJ-GOSISDBHSA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)C[NH+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846798 1303498820 /nfs/dbraw/zinc/49/88/20/1303498820.db2.gz XQJGSIHRDJJNBJ-GOSISDBHSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1CC)Cc1cccnc1 ZINC001230932062 1303551638 /nfs/dbraw/zinc/55/16/38/1303551638.db2.gz NEBQDQXQMIOITD-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1cccnc1 ZINC001230932062 1303551641 /nfs/dbraw/zinc/55/16/41/1303551641.db2.gz NEBQDQXQMIOITD-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1cccnc1 ZINC001230932062 1303551644 /nfs/dbraw/zinc/55/16/44/1303551644.db2.gz NEBQDQXQMIOITD-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001112359983 1304490865 /nfs/dbraw/zinc/49/08/65/1304490865.db2.gz XETCLNUKFDXNLR-UWVAXJGDSA-N 2 1 342.487 2.248 20 30 EEEDMP C=C(Br)CN(CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200860 1317917987 /nfs/dbraw/zinc/91/79/87/1317917987.db2.gz RPHMWRAPTAYWJX-CYBMUJFWSA-N 2 1 334.302 2.063 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120432204 1309534474 /nfs/dbraw/zinc/53/44/74/1309534474.db2.gz YVEUDKLRWCNYLT-RTBURBONSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120432204 1309534477 /nfs/dbraw/zinc/53/44/77/1309534477.db2.gz YVEUDKLRWCNYLT-RTBURBONSA-N 2 1 342.487 2.308 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448718 1309546240 /nfs/dbraw/zinc/54/62/40/1309546240.db2.gz DXIUSZMLEUAAMT-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001121261621 1309960353 /nfs/dbraw/zinc/96/03/53/1309960353.db2.gz YNVZNDAFWITNFA-WZXTXQKWSA-N 2 1 349.519 2.080 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149707037 1316020493 /nfs/dbraw/zinc/02/04/93/1316020493.db2.gz BUIQAFPJWROGTJ-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149707037 1316020497 /nfs/dbraw/zinc/02/04/97/1316020497.db2.gz BUIQAFPJWROGTJ-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149707037 1316020502 /nfs/dbraw/zinc/02/05/02/1316020502.db2.gz BUIQAFPJWROGTJ-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149841846 1316062752 /nfs/dbraw/zinc/06/27/52/1316062752.db2.gz KYRZLZGQILMOIO-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149841846 1316062755 /nfs/dbraw/zinc/06/27/55/1316062755.db2.gz KYRZLZGQILMOIO-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149841846 1316062759 /nfs/dbraw/zinc/06/27/59/1316062759.db2.gz KYRZLZGQILMOIO-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP CCN(Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152391681 1316665684 /nfs/dbraw/zinc/66/56/84/1316665684.db2.gz DIQWTGXMEWDFIQ-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152391681 1316665686 /nfs/dbraw/zinc/66/56/86/1316665686.db2.gz DIQWTGXMEWDFIQ-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152391681 1316665689 /nfs/dbraw/zinc/66/56/89/1316665689.db2.gz DIQWTGXMEWDFIQ-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152391681 1316665696 /nfs/dbraw/zinc/66/56/96/1316665696.db2.gz DIQWTGXMEWDFIQ-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP O=C(CCCn1ccnc1)NCCNCC#Cc1ccccc1Cl ZINC001153345050 1316814663 /nfs/dbraw/zinc/81/46/63/1316814663.db2.gz NMWIGUHMRVWKMT-UHFFFAOYSA-N 2 1 344.846 2.074 20 30 EEEDMP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998260 1316933399 /nfs/dbraw/zinc/93/33/99/1316933399.db2.gz LFRYYXDNIZKBLI-KZNAEPCWSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998260 1316933400 /nfs/dbraw/zinc/93/34/00/1316933400.db2.gz LFRYYXDNIZKBLI-KZNAEPCWSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998260 1316933403 /nfs/dbraw/zinc/93/34/03/1316933403.db2.gz LFRYYXDNIZKBLI-KZNAEPCWSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998260 1316933404 /nfs/dbraw/zinc/93/34/04/1316933404.db2.gz LFRYYXDNIZKBLI-KZNAEPCWSA-N 2 1 339.524 2.279 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001155289376 1317539289 /nfs/dbraw/zinc/53/92/89/1317539289.db2.gz PFESQYWGHOLQST-KDOFPFPSSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001155289376 1317539295 /nfs/dbraw/zinc/53/92/95/1317539295.db2.gz PFESQYWGHOLQST-KDOFPFPSSA-N 2 1 348.466 2.364 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419101 1319228159 /nfs/dbraw/zinc/22/81/59/1319228159.db2.gz KKYYMRCRPLRKLL-OAHLLOKOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419101 1319228166 /nfs/dbraw/zinc/22/81/66/1319228166.db2.gz KKYYMRCRPLRKLL-OAHLLOKOSA-N 2 1 327.900 2.394 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001159328653 1319742509 /nfs/dbraw/zinc/74/25/09/1319742509.db2.gz VEYZRZBJDWFYPB-LJQANCHMSA-N 2 1 327.472 2.008 20 30 EEEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001159837412 1320001933 /nfs/dbraw/zinc/00/19/33/1320001933.db2.gz CVPYCGFNFOHEDC-LJQANCHMSA-N 2 1 342.487 2.132 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119322 1320074407 /nfs/dbraw/zinc/07/44/07/1320074407.db2.gz ACLDRMVRDSPBLT-IBGZPJMESA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119322 1320074409 /nfs/dbraw/zinc/07/44/09/1320074409.db2.gz ACLDRMVRDSPBLT-IBGZPJMESA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119322 1320074414 /nfs/dbraw/zinc/07/44/14/1320074414.db2.gz ACLDRMVRDSPBLT-IBGZPJMESA-N 2 1 349.519 2.200 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001160209258 1320099833 /nfs/dbraw/zinc/09/98/33/1320099833.db2.gz FSHPGLBPOVJNBY-UXHICEINSA-N 2 1 339.483 2.258 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001160209258 1320099837 /nfs/dbraw/zinc/09/98/37/1320099837.db2.gz FSHPGLBPOVJNBY-UXHICEINSA-N 2 1 339.483 2.258 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)sc1C ZINC001160209472 1320100020 /nfs/dbraw/zinc/10/00/20/1320100020.db2.gz MBVTXAAAJWATGE-KRWDZBQOSA-N 2 1 333.501 2.058 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)sc1C ZINC001160209472 1320100025 /nfs/dbraw/zinc/10/00/25/1320100025.db2.gz MBVTXAAAJWATGE-KRWDZBQOSA-N 2 1 333.501 2.058 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001160267698 1320117174 /nfs/dbraw/zinc/11/71/74/1320117174.db2.gz QJQPOCOAIDYSDS-SFHVURJKSA-N 2 1 328.460 2.029 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC[NH2+]C(C)C)CCc1ccccc1 ZINC001162836667 1320971114 /nfs/dbraw/zinc/97/11/14/1320971114.db2.gz OOYRBKTZGMWBNM-FQEVSTJZSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC[NH2+]C(C)C)CCc1ccccc1 ZINC001162836667 1320971117 /nfs/dbraw/zinc/97/11/17/1320971117.db2.gz OOYRBKTZGMWBNM-FQEVSTJZSA-N 2 1 341.499 2.153 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)CCC ZINC001162987723 1321006027 /nfs/dbraw/zinc/00/60/27/1321006027.db2.gz VONFQPDFJWWBSJ-UHFFFAOYSA-N 2 1 329.488 2.012 20 30 EEEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)CC1 ZINC001276472427 1322175115 /nfs/dbraw/zinc/17/51/15/1322175115.db2.gz MHYIBJQGNHXRBJ-QYZOEREBSA-N 2 1 343.515 2.431 20 30 EEEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)CC1 ZINC001276477597 1322247322 /nfs/dbraw/zinc/24/73/22/1322247322.db2.gz OOYCRBPZBILLKY-AQNXPRMDSA-N 2 1 333.520 2.236 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC001262568194 1322325097 /nfs/dbraw/zinc/32/50/97/1322325097.db2.gz OBMDTOKVTMOXTL-LJQANCHMSA-N 2 1 330.472 2.120 20 30 EEEDMP C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001208596184 1324580794 /nfs/dbraw/zinc/58/07/94/1324580794.db2.gz FFEQRFAYBZLHRM-SFHVURJKSA-N 2 1 347.507 2.132 20 30 EEEDMP C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001208596184 1324580798 /nfs/dbraw/zinc/58/07/98/1324580798.db2.gz FFEQRFAYBZLHRM-SFHVURJKSA-N 2 1 347.507 2.132 20 30 EEEDMP C=CCCCC[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001209202473 1324850448 /nfs/dbraw/zinc/85/04/48/1324850448.db2.gz DIHRTPMSSNTUJP-UHFFFAOYSA-N 2 1 347.507 2.453 20 30 EEEDMP C#CCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001209266745 1324878084 /nfs/dbraw/zinc/87/80/84/1324878084.db2.gz BSUMBPCCWMPYQN-AABGKKOBSA-N 2 1 326.488 2.471 20 30 EEEDMP C#CCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001209266745 1324878088 /nfs/dbraw/zinc/87/80/88/1324878088.db2.gz BSUMBPCCWMPYQN-AABGKKOBSA-N 2 1 326.488 2.471 20 30 EEEDMP C#CCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001209266745 1324878092 /nfs/dbraw/zinc/87/80/92/1324878092.db2.gz BSUMBPCCWMPYQN-AABGKKOBSA-N 2 1 326.488 2.471 20 30 EEEDMP C#CCOc1ccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1 ZINC001276663390 1325006005 /nfs/dbraw/zinc/00/60/05/1325006005.db2.gz CIMBAUYOBOZAHR-UHFFFAOYSA-N 2 1 341.499 2.158 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426149 1325281351 /nfs/dbraw/zinc/28/13/51/1325281351.db2.gz ASTDFVOLIVDRQD-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001353580726 1338291742 /nfs/dbraw/zinc/29/17/42/1338291742.db2.gz CSRLJYMLJALOBH-SFHVURJKSA-N 2 1 330.476 2.451 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073633827 1370901079 /nfs/dbraw/zinc/90/10/79/1370901079.db2.gz HVFVBZVUZSLGFB-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001073633827 1370901081 /nfs/dbraw/zinc/90/10/81/1370901081.db2.gz HVFVBZVUZSLGFB-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001073633827 1370901084 /nfs/dbraw/zinc/90/10/84/1370901084.db2.gz HVFVBZVUZSLGFB-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1F ZINC001371365312 1375413720 /nfs/dbraw/zinc/41/37/20/1375413720.db2.gz QIKOWBROMVAIRB-AWEZNQCLSA-N 2 1 348.466 2.270 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1ccccc1C#N ZINC001377364891 1379170648 /nfs/dbraw/zinc/17/06/48/1379170648.db2.gz DROSOOAJVQDYTH-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1ccccc1C#N ZINC001377364891 1379170649 /nfs/dbraw/zinc/17/06/49/1379170649.db2.gz DROSOOAJVQDYTH-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)Cc1ccccc1C#N ZINC001377364891 1379170652 /nfs/dbraw/zinc/17/06/52/1379170652.db2.gz DROSOOAJVQDYTH-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)Cc1ccccc1C#N ZINC001377364891 1379170654 /nfs/dbraw/zinc/17/06/54/1379170654.db2.gz DROSOOAJVQDYTH-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC001390969265 1388925163 /nfs/dbraw/zinc/92/51/63/1388925163.db2.gz OKOFXHYTXGDKQN-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC001390969265 1388925167 /nfs/dbraw/zinc/92/51/67/1388925167.db2.gz OKOFXHYTXGDKQN-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1F ZINC001390969265 1388925170 /nfs/dbraw/zinc/92/51/70/1388925170.db2.gz OKOFXHYTXGDKQN-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1F ZINC001390969265 1388925173 /nfs/dbraw/zinc/92/51/73/1388925173.db2.gz OKOFXHYTXGDKQN-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP C[N@H+](CC(=O)NCC[NH+](Cc1ccc(C#N)s1)C1CC1)C1CCC1 ZINC001391170898 1389094387 /nfs/dbraw/zinc/09/43/87/1389094387.db2.gz VVKPXPBELDBWII-UHFFFAOYSA-N 2 1 346.500 2.185 20 30 EEEDMP C[N@@H+](CC(=O)NCC[NH+](Cc1ccc(C#N)s1)C1CC1)C1CCC1 ZINC001391170898 1389094392 /nfs/dbraw/zinc/09/43/92/1389094392.db2.gz VVKPXPBELDBWII-UHFFFAOYSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+](CC(=O)NCC[N@H+](Cc1ccc(C#N)s1)C1CC1)C1CCC1 ZINC001391170898 1389094396 /nfs/dbraw/zinc/09/43/96/1389094396.db2.gz VVKPXPBELDBWII-UHFFFAOYSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+](CC(=O)NCC[N@@H+](Cc1ccc(C#N)s1)C1CC1)C1CCC1 ZINC001391170898 1389094399 /nfs/dbraw/zinc/09/43/99/1389094399.db2.gz VVKPXPBELDBWII-UHFFFAOYSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001398750505 1394174807 /nfs/dbraw/zinc/17/48/07/1394174807.db2.gz IIXLZGPYCSEPSK-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001398750505 1394174810 /nfs/dbraw/zinc/17/48/10/1394174810.db2.gz IIXLZGPYCSEPSK-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001400186698 1396024806 /nfs/dbraw/zinc/02/48/06/1396024806.db2.gz NYJRMHSSVXXAJP-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001400186698 1396024811 /nfs/dbraw/zinc/02/48/11/1396024811.db2.gz NYJRMHSSVXXAJP-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001400186698 1396024814 /nfs/dbraw/zinc/02/48/14/1396024814.db2.gz NYJRMHSSVXXAJP-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001754469733 1406914402 /nfs/dbraw/zinc/91/44/02/1406914402.db2.gz YDDZMGOMPRRZRY-PMACEKPBSA-N 2 1 341.499 2.358 20 30 EEEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001754469733 1406914404 /nfs/dbraw/zinc/91/44/04/1406914404.db2.gz YDDZMGOMPRRZRY-PMACEKPBSA-N 2 1 341.499 2.358 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001402569164 1398064135 /nfs/dbraw/zinc/06/41/35/1398064135.db2.gz GKVUQHDKMBCODE-UHFFFAOYSA-N 2 1 328.460 2.029 20 30 EEEDMP C#CCC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001755074213 1407084320 /nfs/dbraw/zinc/08/43/20/1407084320.db2.gz SHGYNGUEXFSINJ-LJQANCHMSA-N 2 1 333.520 2.350 20 30 EEEDMP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001755075677 1407085266 /nfs/dbraw/zinc/08/52/66/1407085266.db2.gz LHYTYOGYGPWQIL-IBGZPJMESA-N 2 1 329.488 2.447 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)CCC ZINC001755075677 1407085269 /nfs/dbraw/zinc/08/52/69/1407085269.db2.gz LHYTYOGYGPWQIL-IBGZPJMESA-N 2 1 329.488 2.447 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)CCC ZINC001755075677 1407085274 /nfs/dbraw/zinc/08/52/74/1407085274.db2.gz LHYTYOGYGPWQIL-IBGZPJMESA-N 2 1 329.488 2.447 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC/C=C/CC)C2 ZINC001755456034 1407479048 /nfs/dbraw/zinc/47/90/48/1407479048.db2.gz HRRJYDRVRJFTEQ-UEKDZROGSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC/C=C/CC)C2 ZINC001755456034 1407479056 /nfs/dbraw/zinc/47/90/56/1407479056.db2.gz HRRJYDRVRJFTEQ-UEKDZROGSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC/C=C/CC)C2 ZINC001755456034 1407479073 /nfs/dbraw/zinc/47/90/73/1407479073.db2.gz HRRJYDRVRJFTEQ-UEKDZROGSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC/C=C/CC)C2 ZINC001755456034 1407479084 /nfs/dbraw/zinc/47/90/84/1407479084.db2.gz HRRJYDRVRJFTEQ-UEKDZROGSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC/C=C/CC)C2 ZINC001755456034 1407479091 /nfs/dbraw/zinc/47/90/91/1407479091.db2.gz HRRJYDRVRJFTEQ-UEKDZROGSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112397168 1410895571 /nfs/dbraw/zinc/89/55/71/1410895571.db2.gz VMEANEJRMUPOIH-ZVDOUQERSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104595214 762021203 /nfs/dbraw/zinc/02/12/03/762021203.db2.gz LLJIZVHNUBBPEF-NXHRZFHOSA-N 2 1 344.503 2.404 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001167472040 759728477 /nfs/dbraw/zinc/72/84/77/759728477.db2.gz RRNYCUPQHSWEQV-UHFFFAOYSA-N 2 1 338.455 2.154 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971866 782670336 /nfs/dbraw/zinc/67/03/36/782670336.db2.gz XNAPYJIYXGRJTK-BBWFWOEESA-N 2 1 330.476 2.363 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971866 782670337 /nfs/dbraw/zinc/67/03/37/782670337.db2.gz XNAPYJIYXGRJTK-BBWFWOEESA-N 2 1 330.476 2.363 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427903 769071879 /nfs/dbraw/zinc/07/18/79/769071879.db2.gz SVROLUKIOANZNO-ROUUACIJSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427903 769071885 /nfs/dbraw/zinc/07/18/85/769071885.db2.gz SVROLUKIOANZNO-ROUUACIJSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427903 769071897 /nfs/dbraw/zinc/07/18/97/769071897.db2.gz SVROLUKIOANZNO-ROUUACIJSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088020112 782778897 /nfs/dbraw/zinc/77/88/97/782778897.db2.gz VKJVYNJUEGIYBU-SJORKVTESA-N 2 1 336.439 2.060 20 30 EEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001089660838 774047180 /nfs/dbraw/zinc/04/71/80/774047180.db2.gz QGVYSXHODGFWSM-HOTGVXAUSA-N 2 1 330.476 2.238 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089734217 774792810 /nfs/dbraw/zinc/79/28/10/774792810.db2.gz MANZKAALQOCRCN-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734217 774792814 /nfs/dbraw/zinc/79/28/14/774792814.db2.gz MANZKAALQOCRCN-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734217 774792819 /nfs/dbraw/zinc/79/28/19/774792819.db2.gz MANZKAALQOCRCN-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2Cl)CC1 ZINC000828053852 790431599 /nfs/dbraw/zinc/43/15/99/790431599.db2.gz FQWHHOJEUGTXCP-HNNXBMFYSA-N 2 1 349.866 2.051 20 30 EEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981814255 778241608 /nfs/dbraw/zinc/24/16/08/778241608.db2.gz ZYEYYRKPURZDTF-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981814255 778241613 /nfs/dbraw/zinc/24/16/13/778241613.db2.gz ZYEYYRKPURZDTF-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086784565 784468087 /nfs/dbraw/zinc/46/80/87/784468087.db2.gz BNUFBOSLEVIEKY-YQVWRLOYSA-N 2 1 331.504 2.291 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001035611450 784849042 /nfs/dbraw/zinc/84/90/42/784849042.db2.gz GMANPRKHSNGDGH-SFHVURJKSA-N 2 1 345.487 2.145 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107484930 787378529 /nfs/dbraw/zinc/37/85/29/787378529.db2.gz BJBGHEAULQJBPT-SFHLNBCPSA-N 2 1 343.515 2.245 20 30 EEEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546520 787585985 /nfs/dbraw/zinc/58/59/85/787585985.db2.gz GDKICSJKCDVMOB-NLWGTHIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)COC[C@@H](C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107552451 787607734 /nfs/dbraw/zinc/60/77/34/787607734.db2.gz NKZWOJVAPCACSA-QWFCFKBJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH2+]C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000997132781 789054810 /nfs/dbraw/zinc/05/48/10/789054810.db2.gz SXHKFHRCBCYNOQ-UHFFFAOYSA-N 2 1 325.416 2.038 20 30 EEEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000923354310 789433077 /nfs/dbraw/zinc/43/30/77/789433077.db2.gz RXNFOHZKLYBVDW-SFHVURJKSA-N 2 1 331.460 2.139 20 30 EEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997276044 789519133 /nfs/dbraw/zinc/51/91/33/789519133.db2.gz FKWWRBBJIADKTC-PBHICJAKSA-N 2 1 330.476 2.157 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001091099896 789803315 /nfs/dbraw/zinc/80/33/15/789803315.db2.gz ATVAANKBMMWXMQ-ACBHZAAOSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC000992149249 792927278 /nfs/dbraw/zinc/92/72/78/792927278.db2.gz NBLPUEUZZGHMNG-CMKODMSKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992149249 792927289 /nfs/dbraw/zinc/92/72/89/792927289.db2.gz NBLPUEUZZGHMNG-CMKODMSKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992149249 792927296 /nfs/dbraw/zinc/92/72/96/792927296.db2.gz NBLPUEUZZGHMNG-CMKODMSKSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403318 792938128 /nfs/dbraw/zinc/93/81/28/792938128.db2.gz ILFPOMVVSNUBEY-KZNAEPCWSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403318 792938137 /nfs/dbraw/zinc/93/81/37/792938137.db2.gz ILFPOMVVSNUBEY-KZNAEPCWSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403318 792938143 /nfs/dbraw/zinc/93/81/43/792938143.db2.gz ILFPOMVVSNUBEY-KZNAEPCWSA-N 2 1 337.508 2.031 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925165 792998258 /nfs/dbraw/zinc/99/82/58/792998258.db2.gz MZRDYDUBMCSARR-FGTMMUONSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809901 793280806 /nfs/dbraw/zinc/28/08/06/793280806.db2.gz ZMVQOCFHNREYPX-HBFSDRIKSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809901 793280811 /nfs/dbraw/zinc/28/08/11/793280811.db2.gz ZMVQOCFHNREYPX-HBFSDRIKSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809901 793280818 /nfs/dbraw/zinc/28/08/18/793280818.db2.gz ZMVQOCFHNREYPX-HBFSDRIKSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC000998927586 793571186 /nfs/dbraw/zinc/57/11/86/793571186.db2.gz GAYCTGJNTJTVOW-ABHNRTSZSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC000998927586 793571190 /nfs/dbraw/zinc/57/11/90/793571190.db2.gz GAYCTGJNTJTVOW-ABHNRTSZSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992301051 793575547 /nfs/dbraw/zinc/57/55/47/793575547.db2.gz NRCUJEDDNUHPQJ-WSTZPKSXSA-N 2 1 331.504 2.387 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092300231 793775490 /nfs/dbraw/zinc/77/54/90/793775490.db2.gz SIJYQPOBGBJZBE-XLIONFOSSA-N 2 1 327.472 2.328 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]21 ZINC001036754805 794783214 /nfs/dbraw/zinc/78/32/14/794783214.db2.gz LOPGLUGLOSPHAT-QAPCUYQASA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]21 ZINC001036754805 794783220 /nfs/dbraw/zinc/78/32/20/794783220.db2.gz LOPGLUGLOSPHAT-QAPCUYQASA-N 2 1 346.475 2.239 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001093378135 795113948 /nfs/dbraw/zinc/11/39/48/795113948.db2.gz JXFGBAYUBVTSDY-FXAWDEMLSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001093378135 795113954 /nfs/dbraw/zinc/11/39/54/795113954.db2.gz JXFGBAYUBVTSDY-FXAWDEMLSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001093378135 795113959 /nfs/dbraw/zinc/11/39/59/795113959.db2.gz JXFGBAYUBVTSDY-FXAWDEMLSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(CC)CC)[C@H](C)C1 ZINC001106266412 795312680 /nfs/dbraw/zinc/31/26/80/795312680.db2.gz IPENLXGPELWJRK-QRQLOZEOSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(CC)CC)[C@H](C)C1 ZINC001106266412 795312687 /nfs/dbraw/zinc/31/26/87/795312687.db2.gz IPENLXGPELWJRK-QRQLOZEOSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667403 796073981 /nfs/dbraw/zinc/07/39/81/796073981.db2.gz YCJSRJJHTXPIIP-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001094460327 796271346 /nfs/dbraw/zinc/27/13/46/796271346.db2.gz AQJNFZUICIVAGN-UYAOXDASSA-N 2 1 336.439 2.332 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902320 796440053 /nfs/dbraw/zinc/44/00/53/796440053.db2.gz IYXONHUYPABLMX-ICSRJNTNSA-N 2 1 339.483 2.308 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001171762596 796723307 /nfs/dbraw/zinc/72/33/07/796723307.db2.gz HOQNZPPYLDTOQN-UHFFFAOYSA-N 2 1 335.879 2.129 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993617482 796843928 /nfs/dbraw/zinc/84/39/28/796843928.db2.gz CSNPIYMHKHOQLQ-YLJYHZDGSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993622186 796847721 /nfs/dbraw/zinc/84/77/21/796847721.db2.gz NWQXUAWNSZGWCT-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993622186 796847728 /nfs/dbraw/zinc/84/77/28/796847728.db2.gz NWQXUAWNSZGWCT-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001081799552 796912958 /nfs/dbraw/zinc/91/29/58/796912958.db2.gz UVTOZYDACISWHF-GUDVDZBRSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001081799552 796912963 /nfs/dbraw/zinc/91/29/63/796912963.db2.gz UVTOZYDACISWHF-GUDVDZBRSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001081799552 796912969 /nfs/dbraw/zinc/91/29/69/796912969.db2.gz UVTOZYDACISWHF-GUDVDZBRSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860110 797426409 /nfs/dbraw/zinc/42/64/09/797426409.db2.gz JPWWWMKWUBFHPB-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP CC[N@@H+](CCC[NH+](C)C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434116 797462106 /nfs/dbraw/zinc/46/21/06/797462106.db2.gz DKIFJCUQMCNKHP-UHFFFAOYSA-N 2 1 342.487 2.436 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174890088 797904668 /nfs/dbraw/zinc/90/46/68/797904668.db2.gz PBMPOILPRTXWKF-ZWKOTPCHSA-N 2 1 339.524 2.326 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174890088 797904673 /nfs/dbraw/zinc/90/46/73/797904673.db2.gz PBMPOILPRTXWKF-ZWKOTPCHSA-N 2 1 339.524 2.326 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994497153 798098415 /nfs/dbraw/zinc/09/84/15/798098415.db2.gz JTNDFPHDBUEAFR-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001175704513 798217697 /nfs/dbraw/zinc/21/76/97/798217697.db2.gz YDQAORXYHZNLAN-SFHVURJKSA-N 2 1 339.524 2.330 20 30 EEEDMP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564758 798498364 /nfs/dbraw/zinc/49/83/64/798498364.db2.gz RAARXCPEDJZAID-ZIAGYGMSSA-N 2 1 346.313 2.111 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001003166959 799332722 /nfs/dbraw/zinc/33/27/22/799332722.db2.gz MSZOVDJFCOHECU-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179585275 800017935 /nfs/dbraw/zinc/01/79/35/800017935.db2.gz GECPISNMBFGRFO-GOSISDBHSA-N 2 1 325.472 2.098 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182608507 801275600 /nfs/dbraw/zinc/27/56/00/801275600.db2.gz UWIMIXSVAUZGGL-FRFSOERESA-N 2 1 327.900 2.297 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001183391857 801583667 /nfs/dbraw/zinc/58/36/67/801583667.db2.gz RXGJZBKCTKVMAB-WOJBJXKFSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004440256 802049776 /nfs/dbraw/zinc/04/97/76/802049776.db2.gz YODJXGDTWHZKDI-PMACEKPBSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001185169454 802373697 /nfs/dbraw/zinc/37/36/97/802373697.db2.gz LRIAHIGGYZWGQY-QUCCMNQESA-N 2 1 343.515 2.421 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946642289 802549729 /nfs/dbraw/zinc/54/97/29/802549729.db2.gz CKHXXBWFEWJULP-ZGXWSNOMSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC[C@@H]2C1 ZINC000946642289 802549749 /nfs/dbraw/zinc/54/97/49/802549749.db2.gz CKHXXBWFEWJULP-ZGXWSNOMSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC[C@@H]2C1 ZINC000946642289 802549752 /nfs/dbraw/zinc/54/97/52/802549752.db2.gz CKHXXBWFEWJULP-ZGXWSNOMSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC[C@@H]2C1 ZINC000946643058 802553558 /nfs/dbraw/zinc/55/35/58/802553558.db2.gz ZKTOLGGOBNLHKC-ZGXWSNOMSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946643058 802553564 /nfs/dbraw/zinc/55/35/64/802553564.db2.gz ZKTOLGGOBNLHKC-ZGXWSNOMSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946643058 802553569 /nfs/dbraw/zinc/55/35/69/802553569.db2.gz ZKTOLGGOBNLHKC-ZGXWSNOMSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697472 802837287 /nfs/dbraw/zinc/83/72/87/802837287.db2.gz UDBBVDCYJYRHMQ-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946729172 802916348 /nfs/dbraw/zinc/91/63/48/802916348.db2.gz VYANSIMEJMICRQ-HSALFYBXSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946729172 802916353 /nfs/dbraw/zinc/91/63/53/802916353.db2.gz VYANSIMEJMICRQ-HSALFYBXSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946729172 802916356 /nfs/dbraw/zinc/91/63/56/802916356.db2.gz VYANSIMEJMICRQ-HSALFYBXSA-N 2 1 345.531 2.302 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108395142 803445659 /nfs/dbraw/zinc/44/56/59/803445659.db2.gz OVMFSMFRNSTOMU-PKOBYXMFSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108395142 803445661 /nfs/dbraw/zinc/44/56/61/803445661.db2.gz OVMFSMFRNSTOMU-PKOBYXMFSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001108395142 803445662 /nfs/dbraw/zinc/44/56/62/803445662.db2.gz OVMFSMFRNSTOMU-PKOBYXMFSA-N 2 1 339.524 2.116 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001129418602 810831600 /nfs/dbraw/zinc/83/16/00/810831600.db2.gz VKWCBLYHZFMULB-KRWDZBQOSA-N 2 1 346.450 2.166 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130431328 811632451 /nfs/dbraw/zinc/63/24/51/811632451.db2.gz VGKNJBLPNOXLDU-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1cccc(C#N)c1 ZINC001440739909 1093988504 /nfs/dbraw/zinc/98/85/04/1093988504.db2.gz UJCXTOVREUMTBZ-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001440739909 1093988506 /nfs/dbraw/zinc/98/85/06/1093988506.db2.gz UJCXTOVREUMTBZ-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001440739909 1093988508 /nfs/dbraw/zinc/98/85/08/1093988508.db2.gz UJCXTOVREUMTBZ-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001495562003 1101273869 /nfs/dbraw/zinc/27/38/69/1101273869.db2.gz BNXBZJAFSREBBO-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001495562003 1101273873 /nfs/dbraw/zinc/27/38/73/1101273873.db2.gz BNXBZJAFSREBBO-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C[NH+](C)CCCC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001494042572 1103413616 /nfs/dbraw/zinc/41/36/16/1103413616.db2.gz KTHSAQACCCEMCA-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001505394982 1113931989 /nfs/dbraw/zinc/93/19/89/1113931989.db2.gz VFEJQSYYJGYJIH-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001505394982 1113931996 /nfs/dbraw/zinc/93/19/96/1113931996.db2.gz VFEJQSYYJGYJIH-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001505394982 1113932001 /nfs/dbraw/zinc/93/20/01/1113932001.db2.gz VFEJQSYYJGYJIH-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000329674013 539780629 /nfs/dbraw/zinc/78/06/29/539780629.db2.gz OIAJRRXOVNPJAB-GDBMZVCRSA-N 2 1 331.464 2.233 20 30 EEEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000329674013 539780634 /nfs/dbraw/zinc/78/06/34/539780634.db2.gz OIAJRRXOVNPJAB-GDBMZVCRSA-N 2 1 331.464 2.233 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396736 781959021 /nfs/dbraw/zinc/95/90/21/781959021.db2.gz ULBPTCLUCZETIH-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C[NH+](C)[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000344012951 161189995 /nfs/dbraw/zinc/18/99/95/161189995.db2.gz JKQIFPAXPKFDEF-HXUWFJFHSA-N 2 1 326.488 2.452 20 30 EEEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528390778 268297238 /nfs/dbraw/zinc/29/72/38/268297238.db2.gz PBDNPAASSITKJW-MJGOQNOKSA-N 2 1 343.471 2.106 20 30 EEEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528390778 268297240 /nfs/dbraw/zinc/29/72/40/268297240.db2.gz PBDNPAASSITKJW-MJGOQNOKSA-N 2 1 343.471 2.106 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC(C)C)cc1OC ZINC000130832996 462777943 /nfs/dbraw/zinc/77/79/43/462777943.db2.gz CIRRACMITIDVBG-MRXNPFEDSA-N 2 1 348.491 2.229 20 30 EEEDMP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157389529 463127363 /nfs/dbraw/zinc/12/73/63/463127363.db2.gz SGHYONISIZNXOQ-MRXNPFEDSA-N 2 1 332.492 2.468 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000171712532 463910800 /nfs/dbraw/zinc/91/08/00/463910800.db2.gz FORXLLISDDVZBQ-KRWDZBQOSA-N 2 1 336.524 2.448 20 30 EEEDMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278697352 463975779 /nfs/dbraw/zinc/97/57/79/463975779.db2.gz QOBCSZWXIACMFR-UHFFFAOYSA-N 2 1 335.415 2.154 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2cccc(OC)c2)CC1 ZINC000290448266 464119545 /nfs/dbraw/zinc/11/95/45/464119545.db2.gz CJNBYAHFXUHQEZ-MRXNPFEDSA-N 2 1 330.476 2.115 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000182721620 464716324 /nfs/dbraw/zinc/71/63/24/464716324.db2.gz LQUOEZVJHRJYGJ-SJLPKXTDSA-N 2 1 334.508 2.153 20 30 EEEDMP Cc1nsc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C#N ZINC000286324865 464880397 /nfs/dbraw/zinc/88/03/97/464880397.db2.gz QEPCQWFONVNAEP-UHFFFAOYSA-N 2 1 342.472 2.342 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000330003769 465503933 /nfs/dbraw/zinc/50/39/33/465503933.db2.gz ANOXKFIKEHKZBX-AWEZNQCLSA-N 2 1 342.447 2.012 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000330003769 465503941 /nfs/dbraw/zinc/50/39/41/465503941.db2.gz ANOXKFIKEHKZBX-AWEZNQCLSA-N 2 1 342.447 2.012 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000330009458 465505042 /nfs/dbraw/zinc/50/50/42/465505042.db2.gz HIMQIZLVWSRGTP-XHDPSFHLSA-N 2 1 342.447 2.010 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000330009458 465505051 /nfs/dbraw/zinc/50/50/51/465505051.db2.gz HIMQIZLVWSRGTP-XHDPSFHLSA-N 2 1 342.447 2.010 20 30 EEEDMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000330126730 465542238 /nfs/dbraw/zinc/54/22/38/465542238.db2.gz ITACDPUXFWTMIC-IAGOWNOFSA-N 2 1 343.475 2.053 20 30 EEEDMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000330126730 465542239 /nfs/dbraw/zinc/54/22/39/465542239.db2.gz ITACDPUXFWTMIC-IAGOWNOFSA-N 2 1 343.475 2.053 20 30 EEEDMP C=CCOCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352871939 465563469 /nfs/dbraw/zinc/56/34/69/465563469.db2.gz VIRTXGDYOLCYGY-OAQYLSRUSA-N 2 1 343.515 2.471 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000299164096 465631202 /nfs/dbraw/zinc/63/12/02/465631202.db2.gz SUIHEANPWLZQAT-HXUWFJFHSA-N 2 1 339.483 2.112 20 30 EEEDMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)C1 ZINC000372065775 466143651 /nfs/dbraw/zinc/14/36/51/466143651.db2.gz IDALEQURXOJZFP-CRAIPNDOSA-N 2 1 327.476 2.242 20 30 EEEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370699494 466970219 /nfs/dbraw/zinc/97/02/19/466970219.db2.gz QVLRXKVHPJTJHY-QUCCMNQESA-N 2 1 341.499 2.156 20 30 EEEDMP C#CCOc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370699494 466970223 /nfs/dbraw/zinc/97/02/23/466970223.db2.gz QVLRXKVHPJTJHY-QUCCMNQESA-N 2 1 341.499 2.156 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000488793050 468105073 /nfs/dbraw/zinc/10/50/73/468105073.db2.gz AQVZSFHPEYZSOO-MRXNPFEDSA-N 2 1 334.508 2.153 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C#N)C(C)(C)C)CC2)CC1 ZINC000577961937 468194243 /nfs/dbraw/zinc/19/42/43/468194243.db2.gz HAIPKQZSZWDJQI-KRWDZBQOSA-N 2 1 334.508 2.237 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746637921 577931337 /nfs/dbraw/zinc/93/13/37/577931337.db2.gz UWGINGSRXGMASE-IRXDYDNUSA-N 2 1 333.863 2.157 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021680403 676336394 /nfs/dbraw/zinc/33/63/94/676336394.db2.gz BJFFUJINEFUUOY-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021680403 676336396 /nfs/dbraw/zinc/33/63/96/676336396.db2.gz BJFFUJINEFUUOY-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331151 678553385 /nfs/dbraw/zinc/55/33/85/678553385.db2.gz INPZMKWLNVBPAG-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331151 678553388 /nfs/dbraw/zinc/55/33/88/678553388.db2.gz INPZMKWLNVBPAG-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331151 678553391 /nfs/dbraw/zinc/55/33/91/678553391.db2.gz INPZMKWLNVBPAG-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369138 679276264 /nfs/dbraw/zinc/27/62/64/679276264.db2.gz AMCQMWWSAQSJTH-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369138 679276266 /nfs/dbraw/zinc/27/62/66/679276266.db2.gz AMCQMWWSAQSJTH-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369138 679276269 /nfs/dbraw/zinc/27/62/69/679276269.db2.gz AMCQMWWSAQSJTH-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001023422753 679301595 /nfs/dbraw/zinc/30/15/95/679301595.db2.gz QTFXBWJRULWUCW-WMZOPIPTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001023422753 679301598 /nfs/dbraw/zinc/30/15/98/679301598.db2.gz QTFXBWJRULWUCW-WMZOPIPTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001023422753 679301601 /nfs/dbraw/zinc/30/16/01/679301601.db2.gz QTFXBWJRULWUCW-WMZOPIPTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001023422753 679301603 /nfs/dbraw/zinc/30/16/03/679301603.db2.gz QTFXBWJRULWUCW-WMZOPIPTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814636 681462513 /nfs/dbraw/zinc/46/25/13/681462513.db2.gz UTQMFWQIVFQZPW-GOSISDBHSA-N 2 1 327.472 2.356 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC=C(C)C)CC1 ZINC001024811879 681464349 /nfs/dbraw/zinc/46/43/49/681464349.db2.gz DFKTVJWNFFORKZ-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982618672 681806067 /nfs/dbraw/zinc/80/60/67/681806067.db2.gz YHNGZSIBKIPUAY-BGYRXZFFSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982618672 681806070 /nfs/dbraw/zinc/80/60/70/681806070.db2.gz YHNGZSIBKIPUAY-BGYRXZFFSA-N 2 1 342.487 2.200 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028681306 681809694 /nfs/dbraw/zinc/80/96/94/681809694.db2.gz UFTCOPOBEIBDHO-MRXNPFEDSA-N 2 1 339.443 2.285 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725884 682111197 /nfs/dbraw/zinc/11/11/97/682111197.db2.gz PJYNBSRMOUZVPR-IZZBFERCSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247252 682315968 /nfs/dbraw/zinc/31/59/68/682315968.db2.gz JYHNPFQLHQTGOK-MSOLQXFVSA-N 2 1 329.488 2.094 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273408 682380077 /nfs/dbraw/zinc/38/00/77/682380077.db2.gz DYUPRGZHADYHDD-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC(CC)CC)C2)CC1 ZINC001029004540 682653916 /nfs/dbraw/zinc/65/39/16/682653916.db2.gz YNFJHBOBUVFKCH-SFHVURJKSA-N 2 1 333.520 2.206 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527490 682956878 /nfs/dbraw/zinc/95/68/78/682956878.db2.gz HSKVUWDIFVLWQQ-YLJYHZDGSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026508975 684706963 /nfs/dbraw/zinc/70/69/63/684706963.db2.gz SMDVOJJYBZBQSH-ABHNRTSZSA-N 2 1 345.512 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026508975 684706965 /nfs/dbraw/zinc/70/69/65/684706965.db2.gz SMDVOJJYBZBQSH-ABHNRTSZSA-N 2 1 345.512 2.363 20 30 EEEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000985594562 687280568 /nfs/dbraw/zinc/28/05/68/687280568.db2.gz XCJCLABYMNEXSR-IBGZPJMESA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000985594562 687280572 /nfs/dbraw/zinc/28/05/72/687280572.db2.gz XCJCLABYMNEXSR-IBGZPJMESA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000985594562 687280574 /nfs/dbraw/zinc/28/05/74/687280574.db2.gz XCJCLABYMNEXSR-IBGZPJMESA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(Br)C[N@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000985652484 687396316 /nfs/dbraw/zinc/39/63/16/687396316.db2.gz HLSHSTDTVZVEAF-AWEZNQCLSA-N 2 1 346.313 2.158 20 30 EEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H](c2ccccc2)C1 ZINC000262797484 688486427 /nfs/dbraw/zinc/48/64/27/688486427.db2.gz PUANETLIMZCMCP-PKOBYXMFSA-N 2 1 346.544 2.489 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001027446948 692113414 /nfs/dbraw/zinc/11/34/14/692113414.db2.gz YHUVPXHNKQYZTC-PMACEKPBSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001027446948 692113416 /nfs/dbraw/zinc/11/34/16/692113416.db2.gz YHUVPXHNKQYZTC-PMACEKPBSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC001027446948 692113419 /nfs/dbraw/zinc/11/34/19/692113419.db2.gz YHUVPXHNKQYZTC-PMACEKPBSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC001027446948 692113420 /nfs/dbraw/zinc/11/34/20/692113420.db2.gz YHUVPXHNKQYZTC-PMACEKPBSA-N 2 1 339.483 2.207 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001027545901 692845980 /nfs/dbraw/zinc/84/59/80/692845980.db2.gz IAZINQPHKYGLSA-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027545901 692845985 /nfs/dbraw/zinc/84/59/85/692845985.db2.gz IAZINQPHKYGLSA-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027545901 692845991 /nfs/dbraw/zinc/84/59/91/692845991.db2.gz IAZINQPHKYGLSA-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC000978218143 693390176 /nfs/dbraw/zinc/39/01/76/693390176.db2.gz BOQNWUJXDWTUBS-PHZGNYQRSA-N 2 1 333.501 2.293 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880467 1192643658 /nfs/dbraw/zinc/64/36/58/1192643658.db2.gz MCBDTOIEVIWUEW-NMLBUPMWSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)CCO2 ZINC001105482001 1188098703 /nfs/dbraw/zinc/09/87/03/1188098703.db2.gz PCOYNQHTTQTDAB-PGYGNJIDSA-N 2 1 349.519 2.177 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033777374 1195261751 /nfs/dbraw/zinc/26/17/51/1195261751.db2.gz VIFDQZNONZTPBT-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001034004524 1195647011 /nfs/dbraw/zinc/64/70/11/1195647011.db2.gz ODMYFOGADGEUTI-KRWDZBQOSA-N 2 1 339.443 2.380 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001034973077 1196930736 /nfs/dbraw/zinc/93/07/36/1196930736.db2.gz LESOKZQZAFLMKL-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)CC1 ZINC001034962317 1196943680 /nfs/dbraw/zinc/94/36/80/1196943680.db2.gz IFRSHDZKFCASPR-TUNPWDSISA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)CC1 ZINC001034962317 1196943683 /nfs/dbraw/zinc/94/36/83/1196943683.db2.gz IFRSHDZKFCASPR-TUNPWDSISA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001018154912 1224402781 /nfs/dbraw/zinc/40/27/81/1224402781.db2.gz OYSSIWIYTQYKSF-KDURUIRLSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001018154912 1224402784 /nfs/dbraw/zinc/40/27/84/1224402784.db2.gz OYSSIWIYTQYKSF-KDURUIRLSA-N 2 1 331.504 2.360 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001411038480 1198720707 /nfs/dbraw/zinc/72/07/07/1198720707.db2.gz GAYSQRLWRSCMEE-RHSMWYFYSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001411038480 1198720711 /nfs/dbraw/zinc/72/07/11/1198720711.db2.gz GAYSQRLWRSCMEE-RHSMWYFYSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001411038480 1198720714 /nfs/dbraw/zinc/72/07/14/1198720714.db2.gz GAYSQRLWRSCMEE-RHSMWYFYSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001411038480 1198720718 /nfs/dbraw/zinc/72/07/18/1198720718.db2.gz GAYSQRLWRSCMEE-RHSMWYFYSA-N 2 1 348.516 2.431 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310911 1199561246 /nfs/dbraw/zinc/56/12/46/1199561246.db2.gz PYSCJVPASZINMF-UYAOXDASSA-N 2 1 341.499 2.153 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310911 1199561249 /nfs/dbraw/zinc/56/12/49/1199561249.db2.gz PYSCJVPASZINMF-UYAOXDASSA-N 2 1 341.499 2.153 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310911 1199561254 /nfs/dbraw/zinc/56/12/54/1199561254.db2.gz PYSCJVPASZINMF-UYAOXDASSA-N 2 1 341.499 2.153 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133147417 1200521176 /nfs/dbraw/zinc/52/11/76/1200521176.db2.gz SUQHLTJVCLMRGA-QZTJIDSGSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001133393034 1200851223 /nfs/dbraw/zinc/85/12/23/1200851223.db2.gz YOGKEEIRHHTHKN-SFHVURJKSA-N 2 1 347.890 2.376 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001114425889 1201833461 /nfs/dbraw/zinc/83/34/61/1201833461.db2.gz ICVPIQKWNXZQTL-JLOCXQCDSA-N 2 1 328.460 2.306 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001114425889 1201833464 /nfs/dbraw/zinc/83/34/64/1201833464.db2.gz ICVPIQKWNXZQTL-JLOCXQCDSA-N 2 1 328.460 2.306 20 30 EEEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000886641952 1202538969 /nfs/dbraw/zinc/53/89/69/1202538969.db2.gz WCAVVXXMPRFLEK-NZSAHSFTSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000886641952 1202538970 /nfs/dbraw/zinc/53/89/70/1202538970.db2.gz WCAVVXXMPRFLEK-NZSAHSFTSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886641952 1202538971 /nfs/dbraw/zinc/53/89/71/1202538971.db2.gz WCAVVXXMPRFLEK-NZSAHSFTSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886641952 1202538972 /nfs/dbraw/zinc/53/89/72/1202538972.db2.gz WCAVVXXMPRFLEK-NZSAHSFTSA-N 2 1 327.472 2.131 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000104170100 1204611870 /nfs/dbraw/zinc/61/18/70/1204611870.db2.gz DLWJGSXVGYEELK-KSZLIROESA-N 3 1 337.556 2.133 20 30 EEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104170100 1204611872 /nfs/dbraw/zinc/61/18/72/1204611872.db2.gz DLWJGSXVGYEELK-KSZLIROESA-N 3 1 337.556 2.133 20 30 EEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104170100 1204611875 /nfs/dbraw/zinc/61/18/75/1204611875.db2.gz DLWJGSXVGYEELK-KSZLIROESA-N 3 1 337.556 2.133 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947722623 1208686724 /nfs/dbraw/zinc/68/67/24/1208686724.db2.gz KTIWCTCILIBLKT-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947722623 1208686727 /nfs/dbraw/zinc/68/67/27/1208686727.db2.gz KTIWCTCILIBLKT-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947722623 1208686730 /nfs/dbraw/zinc/68/67/30/1208686730.db2.gz KTIWCTCILIBLKT-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947722623 1208686734 /nfs/dbraw/zinc/68/67/34/1208686734.db2.gz KTIWCTCILIBLKT-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000949473300 1209704578 /nfs/dbraw/zinc/70/45/78/1209704578.db2.gz ZJHSXXKKDZAGLV-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000949473300 1209704581 /nfs/dbraw/zinc/70/45/81/1209704581.db2.gz ZJHSXXKKDZAGLV-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000949473300 1209704582 /nfs/dbraw/zinc/70/45/82/1209704582.db2.gz ZJHSXXKKDZAGLV-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[NH+]1CCOC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000949529340 1209729616 /nfs/dbraw/zinc/72/96/16/1209729616.db2.gz PTMNJWJRNWELOM-HDICACEKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000949529340 1209729617 /nfs/dbraw/zinc/72/96/17/1209729617.db2.gz PTMNJWJRNWELOM-HDICACEKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000949529340 1209729619 /nfs/dbraw/zinc/72/96/19/1209729619.db2.gz PTMNJWJRNWELOM-HDICACEKSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000960674775 1216784497 /nfs/dbraw/zinc/78/44/97/1216784497.db2.gz CPZVWTCPJAAJHV-PMACEKPBSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000960674775 1216784500 /nfs/dbraw/zinc/78/45/00/1216784500.db2.gz CPZVWTCPJAAJHV-PMACEKPBSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccccc1 ZINC000960674775 1216784505 /nfs/dbraw/zinc/78/45/05/1216784505.db2.gz CPZVWTCPJAAJHV-PMACEKPBSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccccc1 ZINC000960674775 1216784508 /nfs/dbraw/zinc/78/45/08/1216784508.db2.gz CPZVWTCPJAAJHV-PMACEKPBSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961188715 1217077615 /nfs/dbraw/zinc/07/76/15/1217077615.db2.gz XOBBHUWEWBFTJD-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188715 1217077616 /nfs/dbraw/zinc/07/76/16/1217077616.db2.gz XOBBHUWEWBFTJD-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188715 1217077619 /nfs/dbraw/zinc/07/76/19/1217077619.db2.gz XOBBHUWEWBFTJD-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961226482 1217097790 /nfs/dbraw/zinc/09/77/90/1217097790.db2.gz HCPBONQIRHPIIM-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961275002 1217122916 /nfs/dbraw/zinc/12/29/16/1217122916.db2.gz SWKSMDMZSQAFTP-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961283774 1217127323 /nfs/dbraw/zinc/12/73/23/1217127323.db2.gz LQUOCRQTBYOWGC-ROUUACIJSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961283774 1217127325 /nfs/dbraw/zinc/12/73/25/1217127325.db2.gz LQUOCRQTBYOWGC-ROUUACIJSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376785 1217164560 /nfs/dbraw/zinc/16/45/60/1217164560.db2.gz CYWFIMXYUIOQNH-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376785 1217164563 /nfs/dbraw/zinc/16/45/63/1217164563.db2.gz CYWFIMXYUIOQNH-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376785 1217164564 /nfs/dbraw/zinc/16/45/64/1217164564.db2.gz CYWFIMXYUIOQNH-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963352484 1217546819 /nfs/dbraw/zinc/54/68/19/1217546819.db2.gz NPNIPOHXTLLLRG-WMZOPIPTSA-N 2 1 343.471 2.291 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(=C)Cl)CC1 ZINC000963470658 1217652799 /nfs/dbraw/zinc/65/27/99/1217652799.db2.gz GLYMFYDSDGKHJX-JCYILVPMSA-N 2 1 337.895 2.196 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(=C)Cl)CC1 ZINC000963470658 1217652802 /nfs/dbraw/zinc/65/28/02/1217652802.db2.gz GLYMFYDSDGKHJX-JCYILVPMSA-N 2 1 337.895 2.196 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963472841 1217654378 /nfs/dbraw/zinc/65/43/78/1217654378.db2.gz XFVWDAWPSQSPSB-ACBHZAAOSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963472841 1217654380 /nfs/dbraw/zinc/65/43/80/1217654380.db2.gz XFVWDAWPSQSPSB-ACBHZAAOSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000963902166 1218114802 /nfs/dbraw/zinc/11/48/02/1218114802.db2.gz FXDLLADPEBTZOW-RJYAGPCLSA-N 2 1 337.483 2.191 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967311947 1220403644 /nfs/dbraw/zinc/40/36/44/1220403644.db2.gz LHVCITKFEUZCMA-MAUKXSAKSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000968913411 1221665045 /nfs/dbraw/zinc/66/50/45/1221665045.db2.gz FWNNEZGXZOHBMI-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968913411 1221665047 /nfs/dbraw/zinc/66/50/47/1221665047.db2.gz FWNNEZGXZOHBMI-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968913411 1221665049 /nfs/dbraw/zinc/66/50/49/1221665049.db2.gz FWNNEZGXZOHBMI-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968913411 1221665052 /nfs/dbraw/zinc/66/50/52/1221665052.db2.gz FWNNEZGXZOHBMI-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968913411 1221665055 /nfs/dbraw/zinc/66/50/55/1221665055.db2.gz FWNNEZGXZOHBMI-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007492129 1222258116 /nfs/dbraw/zinc/25/81/16/1222258116.db2.gz LMXDOQLGZXVRBT-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001007492129 1222258119 /nfs/dbraw/zinc/25/81/19/1222258119.db2.gz LMXDOQLGZXVRBT-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001007492129 1222258120 /nfs/dbraw/zinc/25/81/20/1222258120.db2.gz LMXDOQLGZXVRBT-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001016332821 1226355686 /nfs/dbraw/zinc/35/56/86/1226355686.db2.gz SUYMXOAVMHVHDF-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555193 1227517183 /nfs/dbraw/zinc/51/71/83/1227517183.db2.gz KWJIVFOMGOJCFW-YSIASYRMSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555193 1227517188 /nfs/dbraw/zinc/51/71/88/1227517188.db2.gz KWJIVFOMGOJCFW-YSIASYRMSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555193 1227517194 /nfs/dbraw/zinc/51/71/94/1227517194.db2.gz KWJIVFOMGOJCFW-YSIASYRMSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001018986185 1228608125 /nfs/dbraw/zinc/60/81/25/1228608125.db2.gz URQLVQMVWOUKQI-PMACEKPBSA-N 2 1 339.483 2.092 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001018986185 1228608122 /nfs/dbraw/zinc/60/81/22/1228608122.db2.gz URQLVQMVWOUKQI-PMACEKPBSA-N 2 1 339.483 2.092 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001019386111 1229057652 /nfs/dbraw/zinc/05/76/52/1229057652.db2.gz CQMVNKVEKNEELS-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039135242 1230346972 /nfs/dbraw/zinc/34/69/72/1230346972.db2.gz ZGWBLHZEMGIWEF-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039135242 1230346974 /nfs/dbraw/zinc/34/69/74/1230346974.db2.gz ZGWBLHZEMGIWEF-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC001039135242 1230346980 /nfs/dbraw/zinc/34/69/80/1230346980.db2.gz ZGWBLHZEMGIWEF-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC001039135242 1230346985 /nfs/dbraw/zinc/34/69/85/1230346985.db2.gz ZGWBLHZEMGIWEF-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040358797 1231186411 /nfs/dbraw/zinc/18/64/11/1231186411.db2.gz ZCUAXZUSQUBGNL-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040358797 1231186414 /nfs/dbraw/zinc/18/64/14/1231186414.db2.gz ZCUAXZUSQUBGNL-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040358797 1231186415 /nfs/dbraw/zinc/18/64/15/1231186415.db2.gz ZCUAXZUSQUBGNL-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001040746240 1231355979 /nfs/dbraw/zinc/35/59/79/1231355979.db2.gz XOTUJIDMLFLBPH-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001096015860 1233589276 /nfs/dbraw/zinc/58/92/76/1233589276.db2.gz SWLKYKBHJJYLKH-DRMAHVMPSA-N 2 1 337.483 2.497 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015860 1233589279 /nfs/dbraw/zinc/58/92/79/1233589279.db2.gz SWLKYKBHJJYLKH-DRMAHVMPSA-N 2 1 337.483 2.497 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015860 1233589282 /nfs/dbraw/zinc/58/92/82/1233589282.db2.gz SWLKYKBHJJYLKH-DRMAHVMPSA-N 2 1 337.483 2.497 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CN3CCCC3)on1)C2 ZINC001096020673 1233687779 /nfs/dbraw/zinc/68/77/79/1233687779.db2.gz OSUDAJXMOITNDP-HFTRVMKXSA-N 2 1 344.459 2.182 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001096020673 1233687782 /nfs/dbraw/zinc/68/77/82/1233687782.db2.gz OSUDAJXMOITNDP-HFTRVMKXSA-N 2 1 344.459 2.182 20 30 EEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533835 1233797364 /nfs/dbraw/zinc/79/73/64/1233797364.db2.gz YLRYGFYCQPNGOG-QGZVFWFLSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533835 1233797368 /nfs/dbraw/zinc/79/73/68/1233797368.db2.gz YLRYGFYCQPNGOG-QGZVFWFLSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943710 1234202361 /nfs/dbraw/zinc/20/23/61/1234202361.db2.gz NCMVBUFQWSZIEY-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943710 1234202366 /nfs/dbraw/zinc/20/23/66/1234202366.db2.gz NCMVBUFQWSZIEY-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001045944784 1234205134 /nfs/dbraw/zinc/20/51/34/1234205134.db2.gz IKKZKVDNOVKFSN-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001045944784 1234205137 /nfs/dbraw/zinc/20/51/37/1234205137.db2.gz IKKZKVDNOVKFSN-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045944784 1234205141 /nfs/dbraw/zinc/20/51/41/1234205141.db2.gz IKKZKVDNOVKFSN-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045944784 1234205145 /nfs/dbraw/zinc/20/51/45/1234205145.db2.gz IKKZKVDNOVKFSN-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045967084 1234247175 /nfs/dbraw/zinc/24/71/75/1234247175.db2.gz MUZGVRCJYNNJAZ-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045967084 1234247180 /nfs/dbraw/zinc/24/71/80/1234247180.db2.gz MUZGVRCJYNNJAZ-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045967084 1234247183 /nfs/dbraw/zinc/24/71/83/1234247183.db2.gz MUZGVRCJYNNJAZ-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046980434 1235387031 /nfs/dbraw/zinc/38/70/31/1235387031.db2.gz MQBODPDYKYSLLW-QGZVFWFLSA-N 2 1 349.425 2.068 20 30 EEEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046980434 1235387036 /nfs/dbraw/zinc/38/70/36/1235387036.db2.gz MQBODPDYKYSLLW-QGZVFWFLSA-N 2 1 349.425 2.068 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCn3ccnc3C1)C2 ZINC001048542020 1237920201 /nfs/dbraw/zinc/92/02/01/1237920201.db2.gz MLICCCTVWVPSGI-FJIDUMEYSA-N 2 1 342.487 2.381 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001048556787 1237956368 /nfs/dbraw/zinc/95/63/68/1237956368.db2.gz UMQFSQXNGQBPJX-FKSLSLAPSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556787 1237956376 /nfs/dbraw/zinc/95/63/76/1237956376.db2.gz UMQFSQXNGQBPJX-FKSLSLAPSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556787 1237956386 /nfs/dbraw/zinc/95/63/86/1237956386.db2.gz UMQFSQXNGQBPJX-FKSLSLAPSA-N 2 1 331.504 2.099 20 30 EEEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]2C1 ZINC001049243795 1240363041 /nfs/dbraw/zinc/36/30/41/1240363041.db2.gz DRQNKSCZOWRCGB-IYBDPMFKSA-N 2 1 331.460 2.311 20 30 EEEDMP C=C(Cl)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1C ZINC001049558557 1241412687 /nfs/dbraw/zinc/41/26/87/1241412687.db2.gz PDWMXCNEAOFVMD-ARFHVFGLSA-N 2 1 325.884 2.289 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001001145885 1241724888 /nfs/dbraw/zinc/72/48/88/1241724888.db2.gz WIWPHRRHODSAPP-UHFFFAOYSA-N 2 1 339.483 2.176 20 30 EEEDMP C=CCC[N@H+]1CC=C(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001001157564 1241742110 /nfs/dbraw/zinc/74/21/10/1241742110.db2.gz UHNUNHOIPWKNBI-UHFFFAOYSA-N 2 1 344.459 2.208 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001001157564 1241742114 /nfs/dbraw/zinc/74/21/14/1241742114.db2.gz UHNUNHOIPWKNBI-UHFFFAOYSA-N 2 1 344.459 2.208 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001049663811 1241812387 /nfs/dbraw/zinc/81/23/87/1241812387.db2.gz ODJPXUXNCWCCTQ-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001049663811 1241812399 /nfs/dbraw/zinc/81/23/99/1241812399.db2.gz ODJPXUXNCWCCTQ-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001049663811 1241812403 /nfs/dbraw/zinc/81/24/03/1241812403.db2.gz ODJPXUXNCWCCTQ-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717542 1241978759 /nfs/dbraw/zinc/97/87/59/1241978759.db2.gz FPWXLCJLNOYHOU-NZSAHSFTSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717542 1241978775 /nfs/dbraw/zinc/97/87/75/1241978775.db2.gz FPWXLCJLNOYHOU-NZSAHSFTSA-N 2 1 342.487 2.395 20 30 EEEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001001404957 1242208379 /nfs/dbraw/zinc/20/83/79/1242208379.db2.gz NPSHRZAKVYXQKW-SFHVURJKSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627261 1242588542 /nfs/dbraw/zinc/58/85/42/1242588542.db2.gz KWMXMPMFOXKPOB-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627261 1242588552 /nfs/dbraw/zinc/58/85/52/1242588552.db2.gz KWMXMPMFOXKPOB-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627261 1242588566 /nfs/dbraw/zinc/58/85/66/1242588566.db2.gz KWMXMPMFOXKPOB-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)CC1 ZINC001050520754 1243776254 /nfs/dbraw/zinc/77/62/54/1243776254.db2.gz JMFGJMAUVAKWBX-GOSISDBHSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052767126 1244942464 /nfs/dbraw/zinc/94/24/64/1244942464.db2.gz SEQGMJVJMCKPGM-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C/C=C/Cl)CC2)CC1 ZINC001052952055 1245540433 /nfs/dbraw/zinc/54/04/33/1245540433.db2.gz BJHCYOLXFIRQET-MDGVGCGJSA-N 2 1 337.895 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC[C@H](C)F)CC2)CC1 ZINC001052958380 1245557016 /nfs/dbraw/zinc/55/70/16/1245557016.db2.gz MPNKSAJDCAKPFZ-FUHWJXTLSA-N 2 1 337.483 2.050 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464854 1245865474 /nfs/dbraw/zinc/86/54/74/1245865474.db2.gz ZJLWPFMITZNRPN-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487294 1245891936 /nfs/dbraw/zinc/89/19/36/1245891936.db2.gz WRFFKTCHDMYRLA-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095762 1245892788 /nfs/dbraw/zinc/89/27/88/1245892788.db2.gz KXQBFMHFSDOGLQ-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC001053106961 1245924083 /nfs/dbraw/zinc/92/40/83/1245924083.db2.gz XYPJDRDVOPMNOD-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001101574844 1245979518 /nfs/dbraw/zinc/97/95/18/1245979518.db2.gz GMBBNTOFDWOLPW-KRWDZBQOSA-N 2 1 333.520 2.206 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438979 1247286822 /nfs/dbraw/zinc/28/68/22/1247286822.db2.gz FVSQZJGSRQFSIW-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001052438979 1247286829 /nfs/dbraw/zinc/28/68/29/1247286829.db2.gz FVSQZJGSRQFSIW-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001052438979 1247286837 /nfs/dbraw/zinc/28/68/37/1247286837.db2.gz FVSQZJGSRQFSIW-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054135819 1247490291 /nfs/dbraw/zinc/49/02/91/1247490291.db2.gz JZJPUIWJLOFSOD-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135819 1247490296 /nfs/dbraw/zinc/49/02/96/1247490296.db2.gz JZJPUIWJLOFSOD-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135819 1247490302 /nfs/dbraw/zinc/49/03/02/1247490302.db2.gz JZJPUIWJLOFSOD-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054196573 1247684004 /nfs/dbraw/zinc/68/40/04/1247684004.db2.gz JMOXXSUFSDMNTO-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054196573 1247684015 /nfs/dbraw/zinc/68/40/15/1247684015.db2.gz JMOXXSUFSDMNTO-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054196573 1247684024 /nfs/dbraw/zinc/68/40/24/1247684024.db2.gz JMOXXSUFSDMNTO-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001054290012 1248023336 /nfs/dbraw/zinc/02/33/36/1248023336.db2.gz YOPYIHBOJYYJNI-UHFFFAOYSA-N 2 1 325.456 2.290 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCC2)CC1 ZINC001074103136 1256714027 /nfs/dbraw/zinc/71/40/27/1256714027.db2.gz UJYKZAOHXGUFOP-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001074314528 1256907493 /nfs/dbraw/zinc/90/74/93/1256907493.db2.gz HGAKPPWSCVZUOM-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001074314528 1256907498 /nfs/dbraw/zinc/90/74/98/1256907498.db2.gz HGAKPPWSCVZUOM-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCC2)CC1 ZINC001098460562 1257696913 /nfs/dbraw/zinc/69/69/13/1257696913.db2.gz GNGVCXOVKCGFSI-AQNXPRMDSA-N 2 1 343.515 2.243 20 30 EEEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+]1CCCCC1 ZINC001099552969 1258201275 /nfs/dbraw/zinc/20/12/75/1258201275.db2.gz QJNUWGQPVHFNII-NMLBUPMWSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850396051 1277214511 /nfs/dbraw/zinc/21/45/11/1277214511.db2.gz FYMNYWDIOYDYSU-IBGZPJMESA-N 2 1 328.456 2.432 20 30 EEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193100399 1282319948 /nfs/dbraw/zinc/31/99/48/1282319948.db2.gz VGAFMTDXSWNIDM-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193100399 1282319961 /nfs/dbraw/zinc/31/99/61/1282319961.db2.gz VGAFMTDXSWNIDM-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193621883 1282603198 /nfs/dbraw/zinc/60/31/98/1282603198.db2.gz JALHDMPOXVGITN-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193621883 1282603206 /nfs/dbraw/zinc/60/32/06/1282603206.db2.gz JALHDMPOXVGITN-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193621883 1282603211 /nfs/dbraw/zinc/60/32/11/1282603211.db2.gz JALHDMPOXVGITN-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001211269650 1295791456 /nfs/dbraw/zinc/79/14/56/1295791456.db2.gz STGWFQLBTIVVQO-KRWDZBQOSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801668 1297543763 /nfs/dbraw/zinc/54/37/63/1297543763.db2.gz RFDRVMSXEHVRAW-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801668 1297543774 /nfs/dbraw/zinc/54/37/74/1297543774.db2.gz RFDRVMSXEHVRAW-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801668 1297543783 /nfs/dbraw/zinc/54/37/83/1297543783.db2.gz RFDRVMSXEHVRAW-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H](Cc2cccc(C)c2)C[NH2+]1 ZINC001220868137 1298564663 /nfs/dbraw/zinc/56/46/63/1298564663.db2.gz CBMXVACERVCMRP-AABGKKOBSA-N 2 1 341.499 2.282 20 30 EEEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001099503507 1299173398 /nfs/dbraw/zinc/17/33/98/1299173398.db2.gz CQIVFXAVPFYKRD-MANSERQUSA-N 2 1 343.515 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C ZINC001102056063 1300212601 /nfs/dbraw/zinc/21/26/01/1300212601.db2.gz LWBUAZOBINOXGX-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001102056063 1300212613 /nfs/dbraw/zinc/21/26/13/1300212613.db2.gz LWBUAZOBINOXGX-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC(C)C)C[C@H]1C ZINC001102056063 1300212619 /nfs/dbraw/zinc/21/26/19/1300212619.db2.gz LWBUAZOBINOXGX-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC(C)C)C[C@H]1C ZINC001102056063 1300212627 /nfs/dbraw/zinc/21/26/27/1300212627.db2.gz LWBUAZOBINOXGX-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223707299 1300236874 /nfs/dbraw/zinc/23/68/74/1300236874.db2.gz SEZSLSPXVQODJT-QYZOEREBSA-N 2 1 333.520 2.299 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292379 1300754014 /nfs/dbraw/zinc/75/40/14/1300754014.db2.gz KYJMNGICIUSMBO-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601754 1301275708 /nfs/dbraw/zinc/27/57/08/1301275708.db2.gz OSGWPZCOKYJCSX-GUDVDZBRSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC/C=C/CC ZINC001226860913 1301587822 /nfs/dbraw/zinc/58/78/22/1301587822.db2.gz UKDQIDJZDPGNTA-AXTJNSDUSA-N 2 1 331.504 2.457 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC/C=C/CC ZINC001226860913 1301587827 /nfs/dbraw/zinc/58/78/27/1301587827.db2.gz UKDQIDJZDPGNTA-AXTJNSDUSA-N 2 1 331.504 2.457 20 30 EEEDMP C=CCCC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230713366 1303408222 /nfs/dbraw/zinc/40/82/22/1303408222.db2.gz BCBLAKLWZKQBKE-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCCC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230713366 1303408225 /nfs/dbraw/zinc/40/82/25/1303408225.db2.gz BCBLAKLWZKQBKE-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCCC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230713366 1303408231 /nfs/dbraw/zinc/40/82/31/1303408231.db2.gz BCBLAKLWZKQBKE-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C#CCC[NH+](CCCNC(=O)C(C)(C)[N@H+](C)CC)Cc1cccnc1 ZINC001230789314 1303459217 /nfs/dbraw/zinc/45/92/17/1303459217.db2.gz CHMPOHQNQFJFRK-UHFFFAOYSA-N 2 1 344.503 2.144 20 30 EEEDMP C#CCC[N@@H+](CCCNC(=O)C(C)(C)[NH+](C)CC)Cc1cccnc1 ZINC001230789314 1303459220 /nfs/dbraw/zinc/45/92/20/1303459220.db2.gz CHMPOHQNQFJFRK-UHFFFAOYSA-N 2 1 344.503 2.144 20 30 EEEDMP C#CCC[N@H+](CCCNC(=O)C(C)(C)[NH+](C)CC)Cc1cccnc1 ZINC001230789314 1303459224 /nfs/dbraw/zinc/45/92/24/1303459224.db2.gz CHMPOHQNQFJFRK-UHFFFAOYSA-N 2 1 344.503 2.144 20 30 EEEDMP N#Cc1ccnc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1 ZINC001232475462 1304139426 /nfs/dbraw/zinc/13/94/26/1304139426.db2.gz JWTGNYCAVMHKLC-MOPGFXCFSA-N 2 1 333.439 2.302 20 30 EEEDMP N#CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277948273 1305248017 /nfs/dbraw/zinc/24/80/17/1305248017.db2.gz BRQHIDWHHVZLII-GOSISDBHSA-N 2 1 344.503 2.089 20 30 EEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546404 1305319071 /nfs/dbraw/zinc/31/90/71/1305319071.db2.gz KKINLFMBHNPFMZ-ZWKOTPCHSA-N 2 1 349.519 2.225 20 30 EEEDMP C=CCOCC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729514 1305680215 /nfs/dbraw/zinc/68/02/15/1305680215.db2.gz IYSVMHUVTAOMIM-KRWDZBQOSA-N 2 1 337.508 2.082 20 30 EEEDMP C=CC[NH2+]C1(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CCCCC1 ZINC001115730472 1305682564 /nfs/dbraw/zinc/68/25/64/1305682564.db2.gz KPYMEGCWXYNARN-UHFFFAOYSA-N 2 1 346.475 2.479 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120004493 1309274758 /nfs/dbraw/zinc/27/47/58/1309274758.db2.gz BMICFBGAHXPFRB-OAHLLOKOSA-N 2 1 327.900 2.489 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCn2ccnc2)C1 ZINC001120458623 1309555404 /nfs/dbraw/zinc/55/54/04/1309555404.db2.gz HVMSAVQNLWHVGO-RTBURBONSA-N 2 1 342.487 2.390 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001121289607 1309969625 /nfs/dbraw/zinc/96/96/25/1309969625.db2.gz ZLRUJJJPFPSDMD-SWPKYLGISA-N 2 1 329.488 2.044 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC001246302155 1310277116 /nfs/dbraw/zinc/27/71/16/1310277116.db2.gz ASSDGUWQLQWCAV-RDJZCZTQSA-N 2 1 334.460 2.443 20 30 EEEDMP CCCCCCCCN(CC[NH3+])[C@@H]1C[NH2+][C@@](CC)(C(=O)OC)C1 ZINC001246308761 1310278200 /nfs/dbraw/zinc/27/82/00/1310278200.db2.gz SDGNYUGDNFJHHM-FUHWJXTLSA-N 2 1 327.513 2.291 20 30 EEEDMP COC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001246400771 1310300982 /nfs/dbraw/zinc/30/09/82/1310300982.db2.gz HUABLCWIYRJOMI-HFCFLWKCSA-N 2 1 347.434 2.400 20 30 EEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001202940885 1314748288 /nfs/dbraw/zinc/74/82/88/1314748288.db2.gz UDUVFNKFZMDCPG-UHFFFAOYSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001150452629 1316267569 /nfs/dbraw/zinc/26/75/69/1316267569.db2.gz HLNYFTWHPFHKSJ-QZTJIDSGSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001150579104 1316305256 /nfs/dbraw/zinc/30/52/56/1316305256.db2.gz KCECUHMPJDNETR-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155180924 1317488924 /nfs/dbraw/zinc/48/89/24/1317488924.db2.gz XHXDHNZFEQOGJJ-SJORKVTESA-N 2 1 327.513 2.136 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C#N)s1 ZINC001156525419 1318053633 /nfs/dbraw/zinc/05/36/33/1318053633.db2.gz NYDDWJPNOGCKNK-CQSZACIVSA-N 2 1 336.505 2.288 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)s1 ZINC001156525419 1318053641 /nfs/dbraw/zinc/05/36/41/1318053641.db2.gz NYDDWJPNOGCKNK-CQSZACIVSA-N 2 1 336.505 2.288 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)s1 ZINC001156525419 1318053649 /nfs/dbraw/zinc/05/36/49/1318053649.db2.gz NYDDWJPNOGCKNK-CQSZACIVSA-N 2 1 336.505 2.288 20 30 EEEDMP C=CCN(CC=C)CC[NH+]1CCN([C@H](C)CC[NH+](CC)CC)CC1 ZINC001255972050 1318581570 /nfs/dbraw/zinc/58/15/70/1318581570.db2.gz MJHLZXNKQIQXKP-HXUWFJFHSA-N 2 1 336.568 2.398 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001157886767 1318916989 /nfs/dbraw/zinc/91/69/89/1318916989.db2.gz MJUSISAYMCISDA-SFHVURJKSA-N 2 1 328.460 2.027 20 30 EEEDMP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158040486 1318981333 /nfs/dbraw/zinc/98/13/33/1318981333.db2.gz XCJLMVULZCXGPJ-RTBURBONSA-N 2 1 340.471 2.029 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158065081 1318991364 /nfs/dbraw/zinc/99/13/64/1318991364.db2.gz DNYICOYJPXFWDZ-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001158065081 1318991367 /nfs/dbraw/zinc/99/13/67/1318991367.db2.gz DNYICOYJPXFWDZ-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001158065081 1318991371 /nfs/dbraw/zinc/99/13/71/1318991371.db2.gz DNYICOYJPXFWDZ-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001158421139 1319231127 /nfs/dbraw/zinc/23/11/27/1319231127.db2.gz SIHQANJYERXSLI-CRAIPNDOSA-N 2 1 347.890 2.128 20 30 EEEDMP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001161090158 1320382502 /nfs/dbraw/zinc/38/25/02/1320382502.db2.gz QECMGEYYVOULOQ-UHFFFAOYSA-N 2 1 340.471 2.148 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733819 1320604328 /nfs/dbraw/zinc/60/43/28/1320604328.db2.gz LNCOPCUJLLXPDW-UHFFFAOYSA-N 2 1 337.508 2.059 20 30 EEEDMP C=C(Cl)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001162997495 1321008864 /nfs/dbraw/zinc/00/88/64/1321008864.db2.gz VDSLOACPNRCVTH-SFHVURJKSA-N 2 1 349.906 2.352 20 30 EEEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165484947 1321532970 /nfs/dbraw/zinc/53/29/70/1321532970.db2.gz IJYUMALVHNJNRB-GOSISDBHSA-N 2 1 331.504 2.293 20 30 EEEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206518635 1323520627 /nfs/dbraw/zinc/52/06/27/1323520627.db2.gz BCZHPCRCURIUAW-PXNSSMCTSA-N 2 1 336.439 2.078 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208356477 1324447542 /nfs/dbraw/zinc/44/75/42/1324447542.db2.gz RVYXORXYBBDCRN-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208356477 1324447546 /nfs/dbraw/zinc/44/75/46/1324447546.db2.gz RVYXORXYBBDCRN-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001311434605 1331772362 /nfs/dbraw/zinc/77/23/62/1331772362.db2.gz PKFOKMOPVPXNDM-OTWHNJEPSA-N 2 1 348.535 2.141 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001311434605 1331772365 /nfs/dbraw/zinc/77/23/65/1331772365.db2.gz PKFOKMOPVPXNDM-OTWHNJEPSA-N 2 1 348.535 2.141 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001311434605 1331772370 /nfs/dbraw/zinc/77/23/70/1331772370.db2.gz PKFOKMOPVPXNDM-OTWHNJEPSA-N 2 1 348.535 2.141 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001311434605 1331772373 /nfs/dbraw/zinc/77/23/73/1331772373.db2.gz PKFOKMOPVPXNDM-OTWHNJEPSA-N 2 1 348.535 2.141 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001317073163 1332069723 /nfs/dbraw/zinc/06/97/23/1332069723.db2.gz NWSALLJWAODIRF-JFIYKMOQSA-N 2 1 345.874 2.023 20 30 EEEDMP C#CC[N@H+](CC1CC1)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001325513846 1333901873 /nfs/dbraw/zinc/90/18/73/1333901873.db2.gz WKGYVICGEUENJQ-YLJYHZDGSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+](CC1CC1)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001325513846 1333901875 /nfs/dbraw/zinc/90/18/75/1333901875.db2.gz WKGYVICGEUENJQ-YLJYHZDGSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+](CC1CC1)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325513846 1333901877 /nfs/dbraw/zinc/90/18/77/1333901877.db2.gz WKGYVICGEUENJQ-YLJYHZDGSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+](CC1CC1)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001325513846 1333901880 /nfs/dbraw/zinc/90/18/80/1333901880.db2.gz WKGYVICGEUENJQ-YLJYHZDGSA-N 2 1 339.483 2.111 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001574903743 1343710507 /nfs/dbraw/zinc/71/05/07/1343710507.db2.gz VSWCCCYZFABVPN-IBGZPJMESA-N 2 1 340.471 2.276 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001574903743 1343710510 /nfs/dbraw/zinc/71/05/10/1343710510.db2.gz VSWCCCYZFABVPN-IBGZPJMESA-N 2 1 340.471 2.276 20 30 EEEDMP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001578776741 1344303164 /nfs/dbraw/zinc/30/31/64/1344303164.db2.gz FGFHPIOSHNBRSQ-RBUKOAKNSA-N 2 1 341.455 2.484 20 30 EEEDMP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001578776741 1344303168 /nfs/dbraw/zinc/30/31/68/1344303168.db2.gz FGFHPIOSHNBRSQ-RBUKOAKNSA-N 2 1 341.455 2.484 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC001202146858 1368881506 /nfs/dbraw/zinc/88/15/06/1368881506.db2.gz CHIUFCKMDBOTTC-MOPGFXCFSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3ccncc3)c1)C2 ZINC001098113327 1370301511 /nfs/dbraw/zinc/30/15/11/1370301511.db2.gz ROWPGBRPIXOSLS-KURKYZTESA-N 2 1 337.427 2.179 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113327 1370301514 /nfs/dbraw/zinc/30/15/14/1370301514.db2.gz ROWPGBRPIXOSLS-KURKYZTESA-N 2 1 337.427 2.179 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113327 1370301515 /nfs/dbraw/zinc/30/15/15/1370301515.db2.gz ROWPGBRPIXOSLS-KURKYZTESA-N 2 1 337.427 2.179 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001370887884 1375102754 /nfs/dbraw/zinc/10/27/54/1375102754.db2.gz RUKCCMJBAMGPCS-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC001752783110 1406399153 /nfs/dbraw/zinc/39/91/53/1406399153.db2.gz FOPKYUOUZXUGOA-ROUUACIJSA-N 2 1 337.483 2.052 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC001752783110 1406399164 /nfs/dbraw/zinc/39/91/64/1406399164.db2.gz FOPKYUOUZXUGOA-ROUUACIJSA-N 2 1 337.483 2.052 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCCCF)C1 ZINC001752783110 1406399175 /nfs/dbraw/zinc/39/91/75/1406399175.db2.gz FOPKYUOUZXUGOA-ROUUACIJSA-N 2 1 337.483 2.052 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCCCF)C1 ZINC001752783110 1406399184 /nfs/dbraw/zinc/39/91/84/1406399184.db2.gz FOPKYUOUZXUGOA-ROUUACIJSA-N 2 1 337.483 2.052 20 30 EEEDMP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001392512159 1390073567 /nfs/dbraw/zinc/07/35/67/1390073567.db2.gz ONMOMJVJVVRXFF-OAHLLOKOSA-N 2 1 330.476 2.130 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC001753052339 1406640383 /nfs/dbraw/zinc/64/03/83/1406640383.db2.gz YSRSHFHISMSGDC-KRWDZBQOSA-N 2 1 349.425 2.270 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1cccc(C(F)F)c1 ZINC001753052339 1406640391 /nfs/dbraw/zinc/64/03/91/1406640391.db2.gz YSRSHFHISMSGDC-KRWDZBQOSA-N 2 1 349.425 2.270 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cccc(C(F)F)c1 ZINC001753052339 1406640404 /nfs/dbraw/zinc/64/04/04/1406640404.db2.gz YSRSHFHISMSGDC-KRWDZBQOSA-N 2 1 349.425 2.270 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cccc(C(F)F)c1 ZINC001753052339 1406640416 /nfs/dbraw/zinc/64/04/16/1406640416.db2.gz YSRSHFHISMSGDC-KRWDZBQOSA-N 2 1 349.425 2.270 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001402409613 1397984623 /nfs/dbraw/zinc/98/46/23/1397984623.db2.gz AKULOTRAPWWIQX-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001754945866 1407007720 /nfs/dbraw/zinc/00/77/20/1407007720.db2.gz LTTCDEULTSDHOU-IBGZPJMESA-N 2 1 345.487 2.031 20 30 EEEDMP C=CCCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001754945866 1407007726 /nfs/dbraw/zinc/00/77/26/1407007726.db2.gz LTTCDEULTSDHOU-IBGZPJMESA-N 2 1 345.487 2.031 20 30 EEEDMP C=CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001754945866 1407007737 /nfs/dbraw/zinc/00/77/37/1407007737.db2.gz LTTCDEULTSDHOU-IBGZPJMESA-N 2 1 345.487 2.031 20 30 EEEDMP C=CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001754945866 1407007748 /nfs/dbraw/zinc/00/77/48/1407007748.db2.gz LTTCDEULTSDHOU-IBGZPJMESA-N 2 1 345.487 2.031 20 30 EEEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001755274605 1407284071 /nfs/dbraw/zinc/28/40/71/1407284071.db2.gz BDJCHWOKWFUCPO-WWDZGPRUSA-N 2 1 342.487 2.136 20 30 EEEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001755274604 1407284633 /nfs/dbraw/zinc/28/46/33/1407284633.db2.gz BDJCHWOKWFUCPO-AOCRQIFASA-N 2 1 342.487 2.136 20 30 EEEDMP CC#CC[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC001574970428 1403529825 /nfs/dbraw/zinc/52/98/25/1403529825.db2.gz VSCSZGJPJZRUQV-YJBOKZPZSA-N 2 1 329.444 2.086 20 30 EEEDMP CCCC[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001755361091 1407359243 /nfs/dbraw/zinc/35/92/43/1407359243.db2.gz LYLBPUNFMNLQBI-UXHICEINSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001751992843 1406170333 /nfs/dbraw/zinc/17/03/33/1406170333.db2.gz ZIHJADJQDKJQDE-SFHVURJKSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001751992843 1406170338 /nfs/dbraw/zinc/17/03/38/1406170338.db2.gz ZIHJADJQDKJQDE-SFHVURJKSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001751992843 1406170341 /nfs/dbraw/zinc/17/03/41/1406170341.db2.gz ZIHJADJQDKJQDE-SFHVURJKSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CC2(CCC2)C1 ZINC001751992843 1406170347 /nfs/dbraw/zinc/17/03/47/1406170347.db2.gz ZIHJADJQDKJQDE-SFHVURJKSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CC2(CCC2)C1 ZINC001751992843 1406170352 /nfs/dbraw/zinc/17/03/52/1406170352.db2.gz ZIHJADJQDKJQDE-SFHVURJKSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112123371 1410877182 /nfs/dbraw/zinc/87/71/82/1410877182.db2.gz GSOQXNZLKLDGMZ-CHWSQXEVSA-N 2 1 335.414 2.272 20 30 EEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104291757 758132229 /nfs/dbraw/zinc/13/22/29/758132229.db2.gz UIEQBHOWVYTPNN-BRWVUGGUSA-N 2 1 330.476 2.411 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211615961 761130185 /nfs/dbraw/zinc/13/01/85/761130185.db2.gz OOQRHRVUYNDEDR-VQTJNVASSA-N 2 1 339.483 2.078 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530881 782632576 /nfs/dbraw/zinc/63/25/76/782632576.db2.gz XTNCBJMLOHRCRV-XLIONFOSSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993006 782735682 /nfs/dbraw/zinc/73/56/82/782735682.db2.gz WBEZHZGYKAHFEO-IXDOHACOSA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993006 782735689 /nfs/dbraw/zinc/73/56/89/782735689.db2.gz WBEZHZGYKAHFEO-IXDOHACOSA-N 2 1 328.460 2.117 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993789 782737301 /nfs/dbraw/zinc/73/73/01/782737301.db2.gz CXUCGDLFGBZEDY-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993789 782737309 /nfs/dbraw/zinc/73/73/09/782737309.db2.gz CXUCGDLFGBZEDY-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993789 782737313 /nfs/dbraw/zinc/73/73/13/782737313.db2.gz CXUCGDLFGBZEDY-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673578 770049060 /nfs/dbraw/zinc/04/90/60/770049060.db2.gz QRKOPQQJKWVLKT-YSIASYRMSA-N 2 1 339.483 2.078 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675399 770093837 /nfs/dbraw/zinc/09/38/37/770093837.db2.gz QEAJZYTWNFSDOA-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980154203 773965194 /nfs/dbraw/zinc/96/51/94/773965194.db2.gz HBSAVCOABHIVGE-SZMVWBNQSA-N 2 1 343.471 2.195 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001167815330 774989813 /nfs/dbraw/zinc/98/98/13/774989813.db2.gz RBWODMHEVLNSMZ-UHFFFAOYSA-N 2 1 342.487 2.276 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997587430 790356176 /nfs/dbraw/zinc/35/61/76/790356176.db2.gz RPMWZENEOJXPMT-YOEHRIQHSA-N 2 1 339.911 2.297 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001089824048 777047443 /nfs/dbraw/zinc/04/74/43/777047443.db2.gz IVEOYVNKADZUHX-OKYOBFRVSA-N 2 1 343.515 2.217 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000981326923 777151792 /nfs/dbraw/zinc/15/17/92/777151792.db2.gz MHZALGWHEUETFC-IBGZPJMESA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000981326923 777151795 /nfs/dbraw/zinc/15/17/95/777151795.db2.gz MHZALGWHEUETFC-IBGZPJMESA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000981326923 777151801 /nfs/dbraw/zinc/15/18/01/777151801.db2.gz MHZALGWHEUETFC-IBGZPJMESA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839277 777495571 /nfs/dbraw/zinc/49/55/71/777495571.db2.gz RWLGGQXHPJESDU-QLIIJSOBSA-N 2 1 348.450 2.140 20 30 EEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000981808132 778251406 /nfs/dbraw/zinc/25/14/06/778251406.db2.gz IFLJIZPFODBETC-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981808132 778251408 /nfs/dbraw/zinc/25/14/08/778251408.db2.gz IFLJIZPFODBETC-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981808132 778251412 /nfs/dbraw/zinc/25/14/12/778251412.db2.gz IFLJIZPFODBETC-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001087437428 778816167 /nfs/dbraw/zinc/81/61/67/778816167.db2.gz RDXJACKLWMZETB-DFQSSKMNSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001087437428 778816172 /nfs/dbraw/zinc/81/61/72/778816172.db2.gz RDXJACKLWMZETB-DFQSSKMNSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001087437428 778816179 /nfs/dbraw/zinc/81/61/79/778816179.db2.gz RDXJACKLWMZETB-DFQSSKMNSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001087437428 778816193 /nfs/dbraw/zinc/81/61/93/778816193.db2.gz RDXJACKLWMZETB-DFQSSKMNSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720440 779715178 /nfs/dbraw/zinc/71/51/78/779715178.db2.gz HOAWSGYFVBUZFE-HSALFYBXSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211721017 779724825 /nfs/dbraw/zinc/72/48/25/779724825.db2.gz WVWHDMWHGAZJRL-HSALFYBXSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793780 781610251 /nfs/dbraw/zinc/61/02/51/781610251.db2.gz QWUBTHGQAYPRQV-CMKODMSKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793780 781610259 /nfs/dbraw/zinc/61/02/59/781610259.db2.gz QWUBTHGQAYPRQV-CMKODMSKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793780 781610265 /nfs/dbraw/zinc/61/02/65/781610265.db2.gz QWUBTHGQAYPRQV-CMKODMSKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312929 781646964 /nfs/dbraw/zinc/64/69/64/781646964.db2.gz TVSANHBDAYDAEY-XLIONFOSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312929 781646968 /nfs/dbraw/zinc/64/69/68/781646968.db2.gz TVSANHBDAYDAEY-XLIONFOSSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471917 783827474 /nfs/dbraw/zinc/82/74/74/783827474.db2.gz QBJKACVCAFCQAQ-CABCVRRESA-N 2 1 334.464 2.333 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035246846 784182970 /nfs/dbraw/zinc/18/29/70/784182970.db2.gz AVVJEIFLMTVVOA-UHFFFAOYSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035259710 784213937 /nfs/dbraw/zinc/21/39/37/784213937.db2.gz FFURHLCAOZVHKJ-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035485378 784566996 /nfs/dbraw/zinc/56/69/96/784566996.db2.gz QWGAYLYJVNOJSW-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035485378 784567002 /nfs/dbraw/zinc/56/70/02/784567002.db2.gz QWGAYLYJVNOJSW-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001035485378 784567009 /nfs/dbraw/zinc/56/70/09/784567009.db2.gz QWGAYLYJVNOJSW-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001035485378 784567011 /nfs/dbraw/zinc/56/70/11/784567011.db2.gz QWGAYLYJVNOJSW-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000996761324 787396901 /nfs/dbraw/zinc/39/69/01/787396901.db2.gz FSQDMNNQYMPXMB-MRXNPFEDSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001005998868 789238402 /nfs/dbraw/zinc/23/84/02/789238402.db2.gz VGQAJJCZWRGMHJ-UHFFFAOYSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@H]12 ZINC000991881438 791238198 /nfs/dbraw/zinc/23/81/98/791238198.db2.gz DXUVGDICDSOHKH-ICSRJNTNSA-N 2 1 342.487 2.451 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@H]12 ZINC000991881438 791238205 /nfs/dbraw/zinc/23/82/05/791238205.db2.gz DXUVGDICDSOHKH-ICSRJNTNSA-N 2 1 342.487 2.451 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001147567019 791886018 /nfs/dbraw/zinc/88/60/18/791886018.db2.gz TXXCOZWEQVVITB-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001147567019 791886024 /nfs/dbraw/zinc/88/60/24/791886024.db2.gz TXXCOZWEQVVITB-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001147567019 791886031 /nfs/dbraw/zinc/88/60/31/791886031.db2.gz TXXCOZWEQVVITB-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001147724913 791925788 /nfs/dbraw/zinc/92/57/88/791925788.db2.gz NMISSIXXGUBRCK-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001147724913 791925792 /nfs/dbraw/zinc/92/57/92/791925792.db2.gz NMISSIXXGUBRCK-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926061 793001106 /nfs/dbraw/zinc/00/11/06/793001106.db2.gz OEBCPOBHFDJYIV-OALUTQOASA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926060 793001350 /nfs/dbraw/zinc/00/13/50/793001350.db2.gz OEBCPOBHFDJYIV-MOPGFXCFSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942631 793035258 /nfs/dbraw/zinc/03/52/58/793035258.db2.gz WZGNYAFUWCPBBZ-ZWKOTPCHSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001212405818 793138800 /nfs/dbraw/zinc/13/88/00/793138800.db2.gz DSSQMCMWMUFTLP-CEXWTWQISA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212405818 793138807 /nfs/dbraw/zinc/13/88/07/793138807.db2.gz DSSQMCMWMUFTLP-CEXWTWQISA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212405818 793138815 /nfs/dbraw/zinc/13/88/15/793138815.db2.gz DSSQMCMWMUFTLP-CEXWTWQISA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091880030 793341411 /nfs/dbraw/zinc/34/14/11/793341411.db2.gz XGPNQWZVAQFJJO-HBFSDRIKSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092014650 793507234 /nfs/dbraw/zinc/50/72/34/793507234.db2.gz BYJQKOMERAWNRK-QKLQHJQFSA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092014650 793507238 /nfs/dbraw/zinc/50/72/38/793507238.db2.gz BYJQKOMERAWNRK-QKLQHJQFSA-N 2 1 342.487 2.110 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998995785 793649021 /nfs/dbraw/zinc/64/90/21/793649021.db2.gz VCNNBEXSMCHXJK-KVULBXGLSA-N 2 1 346.500 2.183 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000998992919 793662133 /nfs/dbraw/zinc/66/21/33/793662133.db2.gz BRIARXABTOCKDH-ACBHZAAOSA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992408389 793981553 /nfs/dbraw/zinc/98/15/53/793981553.db2.gz RSVTZVDJIDRPQD-CTNGQTDRSA-N 2 1 343.515 2.245 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032703063 794173016 /nfs/dbraw/zinc/17/30/16/794173016.db2.gz JLJRCDVRDOCALK-ROUUACIJSA-N 2 1 337.427 2.132 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032703063 794173023 /nfs/dbraw/zinc/17/30/23/794173023.db2.gz JLJRCDVRDOCALK-ROUUACIJSA-N 2 1 337.427 2.132 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036730859 794675952 /nfs/dbraw/zinc/67/59/52/794675952.db2.gz KIVAWRUEWHTPBK-DOTOQJQBSA-N 2 1 345.512 2.369 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108006983 795486034 /nfs/dbraw/zinc/48/60/34/795486034.db2.gz JDJVMLCWNGDUGZ-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108006983 795486037 /nfs/dbraw/zinc/48/60/37/795486037.db2.gz JDJVMLCWNGDUGZ-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203453181 796295494 /nfs/dbraw/zinc/29/54/94/796295494.db2.gz RNDQGINYDJVGBR-HOTGVXAUSA-N 2 1 328.460 2.047 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902956 796441782 /nfs/dbraw/zinc/44/17/82/796441782.db2.gz SOVLDZGIEANUED-OALUTQOASA-N 2 1 327.472 2.471 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccccc1 ZINC001081124563 796642347 /nfs/dbraw/zinc/64/23/47/796642347.db2.gz LSPHIYILBDEHQO-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C12CCC2 ZINC001078724686 796884085 /nfs/dbraw/zinc/88/40/85/796884085.db2.gz GJCJYCCQVYEZCN-DLBZAZTESA-N 2 1 344.459 2.087 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993818425 797047382 /nfs/dbraw/zinc/04/73/82/797047382.db2.gz FTIJAGRTJPSBKW-QFBILLFUSA-N 2 1 327.472 2.007 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993820220 797050190 /nfs/dbraw/zinc/05/01/90/797050190.db2.gz JJDRZGOOTDSLNB-NVXWUHKLSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993820220 797050199 /nfs/dbraw/zinc/05/01/99/797050199.db2.gz JJDRZGOOTDSLNB-NVXWUHKLSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[NH+]1CCC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001001836320 797242468 /nfs/dbraw/zinc/24/24/68/797242468.db2.gz IQJCFYCXFFLWJS-UHFFFAOYSA-N 2 1 346.475 2.288 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994118541 797301226 /nfs/dbraw/zinc/30/12/26/797301226.db2.gz VRILIUJDJPLRJF-RHSMWYFYSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994118541 797301232 /nfs/dbraw/zinc/30/12/32/797301232.db2.gz VRILIUJDJPLRJF-RHSMWYFYSA-N 2 1 325.416 2.036 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015704508 797389706 /nfs/dbraw/zinc/38/97/06/797389706.db2.gz AEYIEFGRNHZDMV-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015704508 797389714 /nfs/dbraw/zinc/38/97/14/797389714.db2.gz AEYIEFGRNHZDMV-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015704508 797389719 /nfs/dbraw/zinc/38/97/19/797389719.db2.gz AEYIEFGRNHZDMV-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+]([C@H](CC)c3ccccc3)C2)CC1 ZINC001031435061 798402830 /nfs/dbraw/zinc/40/28/30/798402830.db2.gz OVLJIENBEYBYDE-HXUWFJFHSA-N 2 1 339.483 2.283 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406684 798424073 /nfs/dbraw/zinc/42/40/73/798424073.db2.gz QIOHMOCTWANOAM-SJORKVTESA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406684 798424076 /nfs/dbraw/zinc/42/40/76/798424076.db2.gz QIOHMOCTWANOAM-SJORKVTESA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049538 798638547 /nfs/dbraw/zinc/63/85/47/798638547.db2.gz JBARHZBVWFAALM-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049538 798638548 /nfs/dbraw/zinc/63/85/48/798638548.db2.gz JBARHZBVWFAALM-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049538 798638550 /nfs/dbraw/zinc/63/85/50/798638550.db2.gz JBARHZBVWFAALM-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001176986089 798674673 /nfs/dbraw/zinc/67/46/73/798674673.db2.gz DMGVWSNRIUYCRJ-SFHVURJKSA-N 2 1 328.460 2.029 20 30 EEEDMP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001177016317 798696597 /nfs/dbraw/zinc/69/65/97/798696597.db2.gz JHMRPLVJFWZACF-OAQYLSRUSA-N 2 1 349.478 2.437 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001177339361 798872753 /nfs/dbraw/zinc/87/27/53/798872753.db2.gz DECTVBIUIJAPJO-SFHVURJKSA-N 2 1 342.487 2.392 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001112586048 806697918 /nfs/dbraw/zinc/69/79/18/806697918.db2.gz FCHXDTKNJAMOQU-NSHGMRRFSA-N 2 1 331.504 2.102 20 30 EEEDMP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003168732 799335704 /nfs/dbraw/zinc/33/57/04/799335704.db2.gz URCRXFRTDVETHA-KRWDZBQOSA-N 2 1 346.500 2.185 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003168732 799335711 /nfs/dbraw/zinc/33/57/11/799335711.db2.gz URCRXFRTDVETHA-KRWDZBQOSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1cscn1 ZINC001178722228 799580914 /nfs/dbraw/zinc/58/09/14/799580914.db2.gz FJTFENNOVLJNJP-KRWDZBQOSA-N 2 1 348.516 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1cscn1 ZINC001178722228 799580916 /nfs/dbraw/zinc/58/09/16/799580916.db2.gz FJTFENNOVLJNJP-KRWDZBQOSA-N 2 1 348.516 2.007 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003967205 800675752 /nfs/dbraw/zinc/67/57/52/800675752.db2.gz JFZYXVLVFIETSA-GOEBONIOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2ccnc2)cn1 ZINC001085922512 801668061 /nfs/dbraw/zinc/66/80/61/801668061.db2.gz FMMAHHOCNUVDEH-QGZVFWFLSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001151399167 801915735 /nfs/dbraw/zinc/91/57/35/801915735.db2.gz RJWYNACHLBUELA-UHFFFAOYSA-N 2 1 339.524 2.282 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([C@H]2CCCN2CC#N)CC1 ZINC001004456840 802116409 /nfs/dbraw/zinc/11/64/09/802116409.db2.gz ILLFKXMSCGYUDX-RBUKOAKNSA-N 2 1 346.519 2.476 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086122359 802223165 /nfs/dbraw/zinc/22/31/65/802223165.db2.gz HQPFENOXYFWHCV-CEXWTWQISA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141047 802316391 /nfs/dbraw/zinc/31/63/91/802316391.db2.gz JYRMTEUNDIRLNL-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033141047 802316398 /nfs/dbraw/zinc/31/63/98/802316398.db2.gz JYRMTEUNDIRLNL-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033141047 802316404 /nfs/dbraw/zinc/31/64/04/802316404.db2.gz JYRMTEUNDIRLNL-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001033153153 802603829 /nfs/dbraw/zinc/60/38/29/802603829.db2.gz DQAJTTFDEATJMS-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001033153153 802603831 /nfs/dbraw/zinc/60/38/31/802603831.db2.gz DQAJTTFDEATJMS-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001033153153 802603836 /nfs/dbraw/zinc/60/38/36/802603836.db2.gz DQAJTTFDEATJMS-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001033153153 802603839 /nfs/dbraw/zinc/60/38/39/802603839.db2.gz DQAJTTFDEATJMS-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001108258273 802613130 /nfs/dbraw/zinc/61/31/30/802613130.db2.gz PTCRSJQFOXXWJQ-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086365173 802832882 /nfs/dbraw/zinc/83/28/82/802832882.db2.gz HNACMYFOXFNTIT-FPCVCCKLSA-N 2 1 325.884 2.098 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086389480 802876577 /nfs/dbraw/zinc/87/65/77/802876577.db2.gz MLVKJRKPZDPORK-FHWLQOOXSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086389480 802876579 /nfs/dbraw/zinc/87/65/79/802876579.db2.gz MLVKJRKPZDPORK-FHWLQOOXSA-N 2 1 331.504 2.149 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001108417977 803506069 /nfs/dbraw/zinc/50/60/69/803506069.db2.gz LZUKKSMLVIMDHA-HXUWFJFHSA-N 2 1 345.487 2.145 20 30 EEEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001086609770 810046462 /nfs/dbraw/zinc/04/64/62/810046462.db2.gz WXRIBIIJNGQOOY-YZGWKJHDSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609770 810046465 /nfs/dbraw/zinc/04/64/65/810046465.db2.gz WXRIBIIJNGQOOY-YZGWKJHDSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609770 810046472 /nfs/dbraw/zinc/04/64/72/810046472.db2.gz WXRIBIIJNGQOOY-YZGWKJHDSA-N 2 1 339.483 2.078 20 30 EEEDMP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001438265864 1090747777 /nfs/dbraw/zinc/74/77/77/1090747777.db2.gz KUCHYNAHCUIFNH-OALUTQOASA-N 2 1 342.487 2.321 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC001441828497 1095881844 /nfs/dbraw/zinc/88/18/44/1095881844.db2.gz RXJYNXDCNHFQIK-CJNGLKHVSA-N 2 1 334.489 2.041 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001495742615 1101512988 /nfs/dbraw/zinc/51/29/88/1101512988.db2.gz IPQDCMVMSGCRRO-GFCCVEGCSA-N 2 1 348.329 2.215 20 30 EEEDMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccccc1C#N ZINC001480770230 1107082671 /nfs/dbraw/zinc/08/26/71/1107082671.db2.gz PUPJXFFIACXIJI-OAHLLOKOSA-N 2 1 328.460 2.027 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001499986351 1112567060 /nfs/dbraw/zinc/56/70/60/1112567060.db2.gz KHKHGZMBFBOOAD-CQSZACIVSA-N 2 1 333.879 2.390 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001502142868 1113614820 /nfs/dbraw/zinc/61/48/20/1113614820.db2.gz KSPQHUXYPKYKMP-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001502142868 1113614822 /nfs/dbraw/zinc/61/48/22/1113614822.db2.gz KSPQHUXYPKYKMP-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001502142868 1113614823 /nfs/dbraw/zinc/61/48/23/1113614823.db2.gz KSPQHUXYPKYKMP-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1ccc(C#N)cc1F ZINC001505935698 1114288561 /nfs/dbraw/zinc/28/85/61/1114288561.db2.gz MPFLACWKSJIZLD-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1ccc(C#N)cc1F ZINC001505935698 1114288562 /nfs/dbraw/zinc/28/85/62/1114288562.db2.gz MPFLACWKSJIZLD-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001505935698 1114288563 /nfs/dbraw/zinc/28/85/63/1114288563.db2.gz MPFLACWKSJIZLD-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001505935698 1114288565 /nfs/dbraw/zinc/28/85/65/1114288565.db2.gz MPFLACWKSJIZLD-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000491617345 533100688 /nfs/dbraw/zinc/10/06/88/533100688.db2.gz CBJQOJMXRJASLW-UHFFFAOYSA-N 2 1 336.524 2.095 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(C[NH+](C)CCCC)CC1 ZINC000491617345 533100694 /nfs/dbraw/zinc/10/06/94/533100694.db2.gz CBJQOJMXRJASLW-UHFFFAOYSA-N 2 1 336.524 2.095 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(C[NH+](C)CCCC)CC1 ZINC000491617345 533100699 /nfs/dbraw/zinc/10/06/99/533100699.db2.gz CBJQOJMXRJASLW-UHFFFAOYSA-N 2 1 336.524 2.095 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1cccc(C#N)c1 ZINC000374419984 167039313 /nfs/dbraw/zinc/03/93/13/167039313.db2.gz JULMSAHLAZLUPY-QRQLOZEOSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOc1cccc(C#N)c1 ZINC000374419984 167039314 /nfs/dbraw/zinc/03/93/14/167039314.db2.gz JULMSAHLAZLUPY-QRQLOZEOSA-N 2 1 329.444 2.121 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000296702850 465230792 /nfs/dbraw/zinc/23/07/92/465230792.db2.gz ZFXUTUMZCJZKGT-UHFFFAOYSA-N 2 1 342.487 2.037 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000066921734 462946098 /nfs/dbraw/zinc/94/60/98/462946098.db2.gz CQDXUHHUIAIMOF-CALCHBBNSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000120234619 462976619 /nfs/dbraw/zinc/97/66/19/462976619.db2.gz MNRDRRJJEUXECY-SJORKVTESA-N 2 1 327.472 2.289 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000171871068 463940145 /nfs/dbraw/zinc/94/01/45/463940145.db2.gz PMHNTXUIEDPMEB-MRXNPFEDSA-N 2 1 327.472 2.200 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)CC1 ZINC000195104392 463991431 /nfs/dbraw/zinc/99/14/31/463991431.db2.gz DZSPANXQKJMVAR-LJQANCHMSA-N 2 1 337.467 2.343 20 30 EEEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NC[C@H]2CCC[NH+]2CC)c1 ZINC000264077355 464279507 /nfs/dbraw/zinc/27/95/07/464279507.db2.gz GGHTYYDEUTVJFH-GOSISDBHSA-N 3 1 331.508 2.027 20 30 EEEDMP CC[NH+](C)Cc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000264077355 464279510 /nfs/dbraw/zinc/27/95/10/464279510.db2.gz GGHTYYDEUTVJFH-GOSISDBHSA-N 3 1 331.508 2.027 20 30 EEEDMP CC[NH+](C)Cc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000264077355 464279515 /nfs/dbraw/zinc/27/95/15/464279515.db2.gz GGHTYYDEUTVJFH-GOSISDBHSA-N 3 1 331.508 2.027 20 30 EEEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000264133038 464286864 /nfs/dbraw/zinc/28/68/64/464286864.db2.gz UMFNYSDOIKATHT-JKSUJKDBSA-N 2 1 332.492 2.358 20 30 EEEDMP CCc1cccc(CC)c1NC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000264129959 464287266 /nfs/dbraw/zinc/28/72/66/464287266.db2.gz XUBNINDBBPEQOQ-UHFFFAOYSA-N 2 1 331.508 2.176 20 30 EEEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370699493 466970512 /nfs/dbraw/zinc/97/05/12/466970512.db2.gz QVLRXKVHPJTJHY-ICSRJNTNSA-N 2 1 341.499 2.156 20 30 EEEDMP C#CCOc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370699493 466970518 /nfs/dbraw/zinc/97/05/18/466970518.db2.gz QVLRXKVHPJTJHY-ICSRJNTNSA-N 2 1 341.499 2.156 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424147774 466990733 /nfs/dbraw/zinc/99/07/33/466990733.db2.gz SEROXRMZAVPQEB-NJAFHUGGSA-N 2 1 328.460 2.034 20 30 EEEDMP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424148474 466991114 /nfs/dbraw/zinc/99/11/14/466991114.db2.gz ULRCTGOQBFBEBH-SJLPKXTDSA-N 2 1 328.460 2.131 20 30 EEEDMP C=CCn1cc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)nn1 ZINC000424292540 467023441 /nfs/dbraw/zinc/02/34/41/467023441.db2.gz GYLXIRHOLUABLH-HNNXBMFYSA-N 2 1 329.448 2.255 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)CCCC)CC2)CC1 ZINC000490669039 468232662 /nfs/dbraw/zinc/23/26/62/468232662.db2.gz DSXMLTZMAKYWEZ-UHFFFAOYSA-N 2 1 333.520 2.302 20 30 EEEDMP Cc1cc(N[C@@H](C)CC[NH+](C)C)c(C#N)c(N[C@H](C)CC[NH+](C)C)[nH+]1 ZINC000596097142 469153436 /nfs/dbraw/zinc/15/34/36/469153436.db2.gz FEIRXGMTISPAHP-LSDHHAIUSA-N 3 1 346.523 2.766 20 30 EEEDMP Cc1cc(NCC[C@H](C)[NH+](C)C)c(C#N)c(NCC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000596431826 469264629 /nfs/dbraw/zinc/26/46/29/469264629.db2.gz NHDXOWDOHMEIPD-JKSUJKDBSA-N 3 1 346.523 2.766 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682107 470610283 /nfs/dbraw/zinc/61/02/83/470610283.db2.gz KYCLYQJBLYSIPG-KRWDZBQOSA-N 2 1 328.460 2.183 20 30 EEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000093132958 526933140 /nfs/dbraw/zinc/93/31/40/526933140.db2.gz YUHBOWDVUCTCMV-LJQANCHMSA-N 2 1 329.488 2.463 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000969964130 675348291 /nfs/dbraw/zinc/34/82/91/675348291.db2.gz CQMVNKVEKNEELS-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622598 676277110 /nfs/dbraw/zinc/27/71/10/676277110.db2.gz KLEUXBGLZJPALS-IEBWSBKVSA-N 2 1 336.439 2.284 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021636392 676291212 /nfs/dbraw/zinc/29/12/12/676291212.db2.gz QFAVFGYTSIGQMN-APWZRJJASA-N 2 1 336.439 2.284 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739786 676398126 /nfs/dbraw/zinc/39/81/26/676398126.db2.gz NDNUGGUZKVJMEK-RBUKOAKNSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)C(C)C ZINC000891939759 677721282 /nfs/dbraw/zinc/72/12/82/677721282.db2.gz DUKWSQYVBTVFLM-RCCFBDPRSA-N 2 1 334.508 2.031 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001022716663 678318415 /nfs/dbraw/zinc/31/84/15/678318415.db2.gz DLVICACTWJTYAH-HDICACEKSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001026892793 685257959 /nfs/dbraw/zinc/25/79/59/685257959.db2.gz CEECVDZNACFOPQ-WMZOPIPTSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001026892793 685257961 /nfs/dbraw/zinc/25/79/61/685257961.db2.gz CEECVDZNACFOPQ-WMZOPIPTSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462712 679928296 /nfs/dbraw/zinc/92/82/96/679928296.db2.gz VLXBAVHEUQWLCH-MRXNPFEDSA-N 2 1 333.501 2.417 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462712 679928298 /nfs/dbraw/zinc/92/82/98/679928298.db2.gz VLXBAVHEUQWLCH-MRXNPFEDSA-N 2 1 333.501 2.417 20 30 EEEDMP C=C(Cl)CN1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028592312 681239710 /nfs/dbraw/zinc/23/97/10/681239710.db2.gz KXFJXIXUVRRESI-JKSUJKDBSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028592312 681239713 /nfs/dbraw/zinc/23/97/13/681239713.db2.gz KXFJXIXUVRRESI-JKSUJKDBSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028592312 681239718 /nfs/dbraw/zinc/23/97/18/681239718.db2.gz KXFJXIXUVRRESI-JKSUJKDBSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592312 681239719 /nfs/dbraw/zinc/23/97/19/681239719.db2.gz KXFJXIXUVRRESI-JKSUJKDBSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592312 681239721 /nfs/dbraw/zinc/23/97/21/681239721.db2.gz KXFJXIXUVRRESI-JKSUJKDBSA-N 2 1 327.900 2.155 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCC2CC2)CC1 ZINC001024813341 681466216 /nfs/dbraw/zinc/46/62/16/681466216.db2.gz ZQGGXGJUUSFOFJ-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)cccc1C ZINC001038367720 684515993 /nfs/dbraw/zinc/51/59/93/684515993.db2.gz MVPROVUMRFQYBL-QUCCMNQESA-N 2 1 339.483 2.092 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975062783 686091051 /nfs/dbraw/zinc/09/10/51/686091051.db2.gz ONIRQMRVPNCWSP-IBGZPJMESA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001027470080 692261098 /nfs/dbraw/zinc/26/10/98/692261098.db2.gz IGSHNGPSDXOIRB-HZPDHXFCSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027470080 692261100 /nfs/dbraw/zinc/26/11/00/692261100.db2.gz IGSHNGPSDXOIRB-HZPDHXFCSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027470080 692261102 /nfs/dbraw/zinc/26/11/02/692261102.db2.gz IGSHNGPSDXOIRB-HZPDHXFCSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001027470081 692261124 /nfs/dbraw/zinc/26/11/24/692261124.db2.gz IGSHNGPSDXOIRB-JKSUJKDBSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027470081 692261126 /nfs/dbraw/zinc/26/11/26/692261126.db2.gz IGSHNGPSDXOIRB-JKSUJKDBSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027470081 692261129 /nfs/dbraw/zinc/26/11/29/692261129.db2.gz IGSHNGPSDXOIRB-JKSUJKDBSA-N 2 1 330.476 2.322 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCC(=C)C)CC2(C)C)CC1 ZINC000977650359 692879290 /nfs/dbraw/zinc/87/92/90/692879290.db2.gz CPZVUUATIQMIJB-SFHVURJKSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(=C)C)CC2(C)C)CC1 ZINC000977650357 692879557 /nfs/dbraw/zinc/87/95/57/692879557.db2.gz CPZVUUATIQMIJB-GOSISDBHSA-N 2 1 331.504 2.124 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC000978411426 693574070 /nfs/dbraw/zinc/57/40/70/693574070.db2.gz KMADIRVTLKQQKN-OSYLJGHBSA-N 2 1 344.846 2.303 20 30 EEEDMP C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001485727561 1191919572 /nfs/dbraw/zinc/91/95/72/1191919572.db2.gz MLSRUZVEJUEDEH-YOEHRIQHSA-N 2 1 348.516 2.479 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105517400 1188134363 /nfs/dbraw/zinc/13/43/63/1188134363.db2.gz BNYCNWGURYYHLO-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105574557 1188188265 /nfs/dbraw/zinc/18/82/65/1188188265.db2.gz BBWZVXRENQJESJ-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991066290 1189804526 /nfs/dbraw/zinc/80/45/26/1189804526.db2.gz IDECMQPTUSWBRR-TXPKVOOTSA-N 2 1 328.460 2.450 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991066290 1189804532 /nfs/dbraw/zinc/80/45/32/1189804532.db2.gz IDECMQPTUSWBRR-TXPKVOOTSA-N 2 1 328.460 2.450 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001752911080 1190899645 /nfs/dbraw/zinc/89/96/45/1190899645.db2.gz JOIQDSDETKCYTR-HNNXBMFYSA-N 2 1 335.879 2.128 20 30 EEEDMP C#CCC[N@@H+]1CCc2c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001484612181 1191437311 /nfs/dbraw/zinc/43/73/11/1191437311.db2.gz MPTLPJCBECTWQZ-HXUWFJFHSA-N 2 1 341.499 2.270 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033417276 1194539717 /nfs/dbraw/zinc/53/97/17/1194539717.db2.gz VUZZSPNJDDVVOD-GJZGRUSLSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033417276 1194539720 /nfs/dbraw/zinc/53/97/20/1194539720.db2.gz VUZZSPNJDDVVOD-GJZGRUSLSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033417276 1194539723 /nfs/dbraw/zinc/53/97/23/1194539723.db2.gz VUZZSPNJDDVVOD-GJZGRUSLSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033417276 1194539725 /nfs/dbraw/zinc/53/97/25/1194539725.db2.gz VUZZSPNJDDVVOD-GJZGRUSLSA-N 2 1 346.500 2.137 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001033683897 1195063410 /nfs/dbraw/zinc/06/34/10/1195063410.db2.gz JBJVEKBYWVLEOE-LJQANCHMSA-N 2 1 345.531 2.301 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001033777252 1195261281 /nfs/dbraw/zinc/26/12/81/1195261281.db2.gz UDHSSRRMXPGMJZ-UXHICEINSA-N 2 1 339.483 2.055 20 30 EEEDMP C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-n2ccnc2)ccn1 ZINC001018137249 1224378408 /nfs/dbraw/zinc/37/84/08/1224378408.db2.gz ILZFURUXTTWTGN-CALCHBBNSA-N 2 1 337.427 2.132 20 30 EEEDMP C=C(C)C[NH2+]C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001202539155 1198798981 /nfs/dbraw/zinc/79/89/81/1198798981.db2.gz KSCJXOFCZHQGFJ-UHFFFAOYSA-N 2 1 329.488 2.318 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001132273903 1199522445 /nfs/dbraw/zinc/52/24/45/1199522445.db2.gz LPKLBHZZGMTKKQ-RHSMWYFYSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001132273903 1199522447 /nfs/dbraw/zinc/52/24/47/1199522447.db2.gz LPKLBHZZGMTKKQ-RHSMWYFYSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133166045 1200539893 /nfs/dbraw/zinc/53/98/93/1200539893.db2.gz PIPNWWYDQJYGFQ-AEFFLSMTSA-N 2 1 330.476 2.069 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2CC1 ZINC001275290376 1205299454 /nfs/dbraw/zinc/29/94/54/1205299454.db2.gz IRRSWJKVOHYIBS-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2CC1 ZINC001275290376 1205299455 /nfs/dbraw/zinc/29/94/55/1205299455.db2.gz IRRSWJKVOHYIBS-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2CC1 ZINC001275290376 1205299457 /nfs/dbraw/zinc/29/94/57/1205299457.db2.gz IRRSWJKVOHYIBS-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2CC1 ZINC001275290376 1205299458 /nfs/dbraw/zinc/29/94/58/1205299458.db2.gz IRRSWJKVOHYIBS-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2CC1 ZINC001275290376 1205299460 /nfs/dbraw/zinc/29/94/60/1205299460.db2.gz IRRSWJKVOHYIBS-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000948899063 1209443340 /nfs/dbraw/zinc/44/33/40/1209443340.db2.gz QJKLYRMEQFIONW-OALUTQOASA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000948899063 1209443341 /nfs/dbraw/zinc/44/33/41/1209443341.db2.gz QJKLYRMEQFIONW-OALUTQOASA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948899063 1209443344 /nfs/dbraw/zinc/44/33/44/1209443344.db2.gz QJKLYRMEQFIONW-OALUTQOASA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948899063 1209443346 /nfs/dbraw/zinc/44/33/46/1209443346.db2.gz QJKLYRMEQFIONW-OALUTQOASA-N 2 1 327.472 2.372 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605467 1215250011 /nfs/dbraw/zinc/25/00/11/1215250011.db2.gz DIICTMUXNHONCH-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1Cl ZINC000304814391 1216107117 /nfs/dbraw/zinc/10/71/17/1216107117.db2.gz ZPJOFWVJJOYXDD-ZIAGYGMSSA-N 2 1 338.883 2.496 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960487735 1216622363 /nfs/dbraw/zinc/62/23/63/1216622363.db2.gz PFPXGRLXXSDUFK-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960487735 1216622365 /nfs/dbraw/zinc/62/23/65/1216622365.db2.gz PFPXGRLXXSDUFK-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000960487735 1216622370 /nfs/dbraw/zinc/62/23/70/1216622370.db2.gz PFPXGRLXXSDUFK-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000960487735 1216622372 /nfs/dbraw/zinc/62/23/72/1216622372.db2.gz PFPXGRLXXSDUFK-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253612 1217111942 /nfs/dbraw/zinc/11/19/42/1217111942.db2.gz QYNAHFWOOYXZCT-WOJBJXKFSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961266368 1217118176 /nfs/dbraw/zinc/11/81/76/1217118176.db2.gz XFBIBWNGUODSJE-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279507 1217125244 /nfs/dbraw/zinc/12/52/44/1217125244.db2.gz DXWAQAHESASNKV-ROUUACIJSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279507 1217125247 /nfs/dbraw/zinc/12/52/47/1217125247.db2.gz DXWAQAHESASNKV-ROUUACIJSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CC[N@H+](C(C)C)C3)C2)CC1 ZINC000961293798 1217132208 /nfs/dbraw/zinc/13/22/08/1217132208.db2.gz QZMCGYYARIUGCY-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961373554 1217163184 /nfs/dbraw/zinc/16/31/84/1217163184.db2.gz HSNWQJVWYZQYMF-OALUTQOASA-N 2 1 333.520 2.156 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961401694 1217175984 /nfs/dbraw/zinc/17/59/84/1217175984.db2.gz NNLYVJRZCMLIOZ-HXUWFJFHSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390960 1217588291 /nfs/dbraw/zinc/58/82/91/1217588291.db2.gz PLGCKMJFWOXXKF-AEFFLSMTSA-N 2 1 340.471 2.097 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968476012 1221335249 /nfs/dbraw/zinc/33/52/49/1221335249.db2.gz KUEIRHGDBPYFEE-QAPCUYQASA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968476012 1221335251 /nfs/dbraw/zinc/33/52/51/1221335251.db2.gz KUEIRHGDBPYFEE-QAPCUYQASA-N 2 1 339.443 2.284 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928161 1221678875 /nfs/dbraw/zinc/67/88/75/1221678875.db2.gz DHSNPAWMERQJJH-OALUTQOASA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928161 1221678879 /nfs/dbraw/zinc/67/88/79/1221678879.db2.gz DHSNPAWMERQJJH-OALUTQOASA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000968928161 1221678881 /nfs/dbraw/zinc/67/88/81/1221678881.db2.gz DHSNPAWMERQJJH-OALUTQOASA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002126 1221730723 /nfs/dbraw/zinc/73/07/23/1221730723.db2.gz LIFIFBRTQOFYEB-ROUUACIJSA-N 2 1 342.487 2.138 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002126 1221730726 /nfs/dbraw/zinc/73/07/26/1221730726.db2.gz LIFIFBRTQOFYEB-ROUUACIJSA-N 2 1 342.487 2.138 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000969090916 1221800098 /nfs/dbraw/zinc/80/00/98/1221800098.db2.gz PCQLQKPRBNMXPC-SFHVURJKSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000969090916 1221800099 /nfs/dbraw/zinc/80/00/99/1221800099.db2.gz PCQLQKPRBNMXPC-SFHVURJKSA-N 2 1 339.443 2.428 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065073 1222599870 /nfs/dbraw/zinc/59/98/70/1222599870.db2.gz YKKYVXLNGOKSLA-GOSISDBHSA-N 2 1 327.472 2.008 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065073 1222599875 /nfs/dbraw/zinc/59/98/75/1222599875.db2.gz YKKYVXLNGOKSLA-GOSISDBHSA-N 2 1 327.472 2.008 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001016791197 1226881012 /nfs/dbraw/zinc/88/10/12/1226881012.db2.gz LBYLDBXAQJBNNS-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001016791197 1226881016 /nfs/dbraw/zinc/88/10/16/1226881016.db2.gz LBYLDBXAQJBNNS-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001016791194 1226881379 /nfs/dbraw/zinc/88/13/79/1226881379.db2.gz LBYLDBXAQJBNNS-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001016791194 1226881380 /nfs/dbraw/zinc/88/13/80/1226881380.db2.gz LBYLDBXAQJBNNS-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001020251395 1229583611 /nfs/dbraw/zinc/58/36/11/1229583611.db2.gz KNHGAWMEKAPMSV-NNFUDEMPSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001020251395 1229583616 /nfs/dbraw/zinc/58/36/16/1229583616.db2.gz KNHGAWMEKAPMSV-NNFUDEMPSA-N 2 1 343.446 2.221 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039128138 1230336437 /nfs/dbraw/zinc/33/64/37/1230336437.db2.gz VGKWAUCWTVGLSF-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039128138 1230336441 /nfs/dbraw/zinc/33/64/41/1230336441.db2.gz VGKWAUCWTVGLSF-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039128138 1230336443 /nfs/dbraw/zinc/33/64/43/1230336443.db2.gz VGKWAUCWTVGLSF-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130129 1230338268 /nfs/dbraw/zinc/33/82/68/1230338268.db2.gz JCEBJRRUYOEDNX-PMACEKPBSA-N 2 1 345.531 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138405 1230352255 /nfs/dbraw/zinc/35/22/55/1230352255.db2.gz QCCFXENOOBFHFN-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039138405 1230352259 /nfs/dbraw/zinc/35/22/59/1230352259.db2.gz QCCFXENOOBFHFN-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039138405 1230352264 /nfs/dbraw/zinc/35/22/64/1230352264.db2.gz QCCFXENOOBFHFN-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182168 1230409641 /nfs/dbraw/zinc/40/96/41/1230409641.db2.gz KHGPJPLTWBEDLC-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182168 1230409643 /nfs/dbraw/zinc/40/96/43/1230409643.db2.gz KHGPJPLTWBEDLC-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182168 1230409645 /nfs/dbraw/zinc/40/96/45/1230409645.db2.gz KHGPJPLTWBEDLC-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233468 1230466649 /nfs/dbraw/zinc/46/66/49/1230466649.db2.gz BPLZBQQKULHYRJ-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377112 1230562968 /nfs/dbraw/zinc/56/29/68/1230562968.db2.gz FLLOCQQLMWUGPH-KURKYZTESA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377112 1230562971 /nfs/dbraw/zinc/56/29/71/1230562971.db2.gz FLLOCQQLMWUGPH-KURKYZTESA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039386733 1230571443 /nfs/dbraw/zinc/57/14/43/1230571443.db2.gz AXBYCANEEDQNBD-QYZOEREBSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039386733 1230571444 /nfs/dbraw/zinc/57/14/44/1230571444.db2.gz AXBYCANEEDQNBD-QYZOEREBSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001039386733 1230571446 /nfs/dbraw/zinc/57/14/46/1230571446.db2.gz AXBYCANEEDQNBD-QYZOEREBSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001039437764 1230610187 /nfs/dbraw/zinc/61/01/87/1230610187.db2.gz WWRYPSWLAAXQGR-UWVAXJGDSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001039437764 1230610188 /nfs/dbraw/zinc/61/01/88/1230610188.db2.gz WWRYPSWLAAXQGR-UWVAXJGDSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001039437764 1230610189 /nfs/dbraw/zinc/61/01/89/1230610189.db2.gz WWRYPSWLAAXQGR-UWVAXJGDSA-N 2 1 349.494 2.288 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001040270747 1231144479 /nfs/dbraw/zinc/14/44/79/1231144479.db2.gz OGEXOPBAZAKYPT-LJQANCHMSA-N 2 1 346.475 2.240 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001040270747 1231144480 /nfs/dbraw/zinc/14/44/80/1231144480.db2.gz OGEXOPBAZAKYPT-LJQANCHMSA-N 2 1 346.475 2.240 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295321 1231156836 /nfs/dbraw/zinc/15/68/36/1231156836.db2.gz CQWKIQBCZAFAQZ-FQEVSTJZSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347341 1231180670 /nfs/dbraw/zinc/18/06/70/1231180670.db2.gz JJTHITRBPLVBIG-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347341 1231180671 /nfs/dbraw/zinc/18/06/71/1231180671.db2.gz JJTHITRBPLVBIG-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347341 1231180673 /nfs/dbraw/zinc/18/06/73/1231180673.db2.gz JJTHITRBPLVBIG-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040399979 1231208813 /nfs/dbraw/zinc/20/88/13/1231208813.db2.gz QRPBISOXWXEKFA-DOTOQJQBSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040399979 1231208815 /nfs/dbraw/zinc/20/88/15/1231208815.db2.gz QRPBISOXWXEKFA-DOTOQJQBSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3cncn3C)C2)C1 ZINC001040512553 1231270723 /nfs/dbraw/zinc/27/07/23/1231270723.db2.gz IKPNWGQKKLVDHZ-IBGZPJMESA-N 2 1 330.476 2.243 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040530540 1231278400 /nfs/dbraw/zinc/27/84/00/1231278400.db2.gz BTOFBBZPLOBDBJ-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040530540 1231278403 /nfs/dbraw/zinc/27/84/03/1231278403.db2.gz BTOFBBZPLOBDBJ-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC4CCC4)[C@@H]3C2)CC1 ZINC001042367611 1232049326 /nfs/dbraw/zinc/04/93/26/1232049326.db2.gz ITAJCGSTYKOAPN-UYAOXDASSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042369663 1232051099 /nfs/dbraw/zinc/05/10/99/1232051099.db2.gz ZSBQUERLZZMATF-YLJYHZDGSA-N 2 1 339.483 2.308 20 30 EEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001044745705 1233231366 /nfs/dbraw/zinc/23/13/66/1233231366.db2.gz YYQOKHBAJZQGAX-HUUCEWRRSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]cn1)C2 ZINC001045973510 1234258667 /nfs/dbraw/zinc/25/86/67/1234258667.db2.gz SCQHXTDAPNCKNK-LPHOPBHVSA-N 2 1 330.476 2.479 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001045973510 1234258670 /nfs/dbraw/zinc/25/86/70/1234258670.db2.gz SCQHXTDAPNCKNK-LPHOPBHVSA-N 2 1 330.476 2.479 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001045973510 1234258675 /nfs/dbraw/zinc/25/86/75/1234258675.db2.gz SCQHXTDAPNCKNK-LPHOPBHVSA-N 2 1 330.476 2.479 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047256481 1235759775 /nfs/dbraw/zinc/75/97/75/1235759775.db2.gz KWISASCQRAJFIR-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265707 1235778343 /nfs/dbraw/zinc/77/83/43/1235778343.db2.gz VRUZPNDKGFYCCU-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047266231 1235779482 /nfs/dbraw/zinc/77/94/82/1235779482.db2.gz UHLNUSSPTZKGOR-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048537524 1237906898 /nfs/dbraw/zinc/90/68/98/1237906898.db2.gz DQABKNBYZHTTEC-UHZRXMQZSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)C2 ZINC001048537524 1237906901 /nfs/dbraw/zinc/90/69/01/1237906901.db2.gz DQABKNBYZHTTEC-UHZRXMQZSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)C2 ZINC001048537524 1237906913 /nfs/dbraw/zinc/90/69/13/1237906913.db2.gz DQABKNBYZHTTEC-UHZRXMQZSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)CC1 ZINC001000174946 1240026513 /nfs/dbraw/zinc/02/65/13/1240026513.db2.gz SCFRPUKSDKOVFN-GOSISDBHSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001000331728 1240178044 /nfs/dbraw/zinc/17/80/44/1240178044.db2.gz FXAGJQBZKXRNMG-CQSZACIVSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001000331728 1240178048 /nfs/dbraw/zinc/17/80/48/1240178048.db2.gz FXAGJQBZKXRNMG-CQSZACIVSA-N 2 1 325.884 2.051 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477883 1241072823 /nfs/dbraw/zinc/07/28/23/1241072823.db2.gz JUJDVRSYGYVPMW-QZTJIDSGSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049483680 1241091999 /nfs/dbraw/zinc/09/19/99/1241091999.db2.gz CGKNVXYWUHMHEY-GVDBMIGSSA-N 2 1 328.460 2.095 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049483680 1241092005 /nfs/dbraw/zinc/09/20/05/1241092005.db2.gz CGKNVXYWUHMHEY-GVDBMIGSSA-N 2 1 328.460 2.095 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049488050 1241105709 /nfs/dbraw/zinc/10/57/09/1241105709.db2.gz XMSTYPJOEWANID-KZNAEPCWSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049488050 1241105712 /nfs/dbraw/zinc/10/57/12/1241105712.db2.gz XMSTYPJOEWANID-KZNAEPCWSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049519767 1241220537 /nfs/dbraw/zinc/22/05/37/1241220537.db2.gz AZFMTJKWCXTLST-AQNXPRMDSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049519767 1241220543 /nfs/dbraw/zinc/22/05/43/1241220543.db2.gz AZFMTJKWCXTLST-AQNXPRMDSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049519767 1241220557 /nfs/dbraw/zinc/22/05/57/1241220557.db2.gz AZFMTJKWCXTLST-AQNXPRMDSA-N 2 1 343.515 2.482 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049524896 1241246997 /nfs/dbraw/zinc/24/69/97/1241246997.db2.gz OKHPRSRSRGUNED-BBWFWOEESA-N 2 1 328.460 2.402 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049524896 1241247009 /nfs/dbraw/zinc/24/70/09/1241247009.db2.gz OKHPRSRSRGUNED-BBWFWOEESA-N 2 1 328.460 2.402 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001049671732 1241835589 /nfs/dbraw/zinc/83/55/89/1241835589.db2.gz NFLQWQCHHSUGEX-BHIYHBOVSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001049671732 1241835601 /nfs/dbraw/zinc/83/56/01/1241835601.db2.gz NFLQWQCHHSUGEX-BHIYHBOVSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049692197 1241891570 /nfs/dbraw/zinc/89/15/70/1241891570.db2.gz DNMSEDFAWCXJGR-HOTGVXAUSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049692197 1241891576 /nfs/dbraw/zinc/89/15/76/1241891576.db2.gz DNMSEDFAWCXJGR-HOTGVXAUSA-N 2 1 325.884 2.146 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049719555 1241983978 /nfs/dbraw/zinc/98/39/78/1241983978.db2.gz MUPPQKOVGGDSNF-VQTJNVASSA-N 2 1 339.483 2.103 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001001350766 1242112433 /nfs/dbraw/zinc/11/24/33/1242112433.db2.gz QXCULGGADHNBMR-UHFFFAOYSA-N 2 1 331.504 2.433 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049786493 1242181382 /nfs/dbraw/zinc/18/13/82/1242181382.db2.gz BQTVTAJMPZQCID-RTBURBONSA-N 2 1 325.456 2.060 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001050049523 1242723913 /nfs/dbraw/zinc/72/39/13/1242723913.db2.gz KNTIWLIDWJFCPQ-OKZBNKHCSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001050049523 1242723920 /nfs/dbraw/zinc/72/39/20/1242723920.db2.gz KNTIWLIDWJFCPQ-OKZBNKHCSA-N 2 1 342.487 2.343 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001050103416 1242874091 /nfs/dbraw/zinc/87/40/91/1242874091.db2.gz ILNAAFXEMKRBJX-OTWHNJEPSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)CC1 ZINC001050208953 1243124636 /nfs/dbraw/zinc/12/46/36/1243124636.db2.gz WVCNFMGQROAAOQ-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCCC)C[C@@]2(C)C1 ZINC001101270337 1245596644 /nfs/dbraw/zinc/59/66/44/1245596644.db2.gz KXIXFKSLHBBWAH-HBFSDRIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCCC)C[C@@]2(C)C1 ZINC001101270337 1245596649 /nfs/dbraw/zinc/59/66/49/1245596649.db2.gz KXIXFKSLHBBWAH-HBFSDRIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCCC)C[C@@]2(C)C1 ZINC001101270337 1245596653 /nfs/dbraw/zinc/59/66/53/1245596653.db2.gz KXIXFKSLHBBWAH-HBFSDRIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCCC)C[C@@]2(C)C1 ZINC001101270337 1245596659 /nfs/dbraw/zinc/59/66/59/1245596659.db2.gz KXIXFKSLHBBWAH-HBFSDRIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348924 1245697169 /nfs/dbraw/zinc/69/71/69/1245697169.db2.gz NYMYRRXJZRIWST-POAQFYNOSA-N 2 1 333.520 2.463 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028930 1245712751 /nfs/dbraw/zinc/71/27/51/1245712751.db2.gz NZBQARJDOURGSJ-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053028930 1245712757 /nfs/dbraw/zinc/71/27/57/1245712757.db2.gz NZBQARJDOURGSJ-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053028930 1245712761 /nfs/dbraw/zinc/71/27/61/1245712761.db2.gz NZBQARJDOURGSJ-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052456217 1247328309 /nfs/dbraw/zinc/32/83/09/1247328309.db2.gz CMNGPEIWJNBVSQ-PMACEKPBSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052456217 1247328318 /nfs/dbraw/zinc/32/83/18/1247328318.db2.gz CMNGPEIWJNBVSQ-PMACEKPBSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052456217 1247328329 /nfs/dbraw/zinc/32/83/29/1247328329.db2.gz CMNGPEIWJNBVSQ-PMACEKPBSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052456217 1247328339 /nfs/dbraw/zinc/32/83/39/1247328339.db2.gz CMNGPEIWJNBVSQ-PMACEKPBSA-N 2 1 339.483 2.255 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054134233 1247485728 /nfs/dbraw/zinc/48/57/28/1247485728.db2.gz XLEILNYWRGFDJJ-AZUAARDMSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054141589 1247505175 /nfs/dbraw/zinc/50/51/75/1247505175.db2.gz MPANBHZNFYJVEW-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141589 1247505181 /nfs/dbraw/zinc/50/51/81/1247505181.db2.gz MPANBHZNFYJVEW-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141589 1247505188 /nfs/dbraw/zinc/50/51/88/1247505188.db2.gz MPANBHZNFYJVEW-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001054159401 1247562967 /nfs/dbraw/zinc/56/29/67/1247562967.db2.gz VFUJVEKWFZARPO-HXUWFJFHSA-N 2 1 336.439 2.204 20 30 EEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001073059805 1255624265 /nfs/dbraw/zinc/62/42/65/1255624265.db2.gz VNTBIHPHDDXZRO-UHFFFAOYSA-N 2 1 327.472 2.472 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001098948279 1257869651 /nfs/dbraw/zinc/86/96/51/1257869651.db2.gz VTQGYGIPKPEQCD-JXFKEZNVSA-N 2 1 342.487 2.309 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001098948279 1257869661 /nfs/dbraw/zinc/86/96/61/1257869661.db2.gz VTQGYGIPKPEQCD-JXFKEZNVSA-N 2 1 342.487 2.309 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001099131040 1257981515 /nfs/dbraw/zinc/98/15/15/1257981515.db2.gz VVSPMAWRJOUJTL-GOSISDBHSA-N 2 1 342.487 2.148 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001099495801 1258177027 /nfs/dbraw/zinc/17/70/27/1258177027.db2.gz CVLOBDVWBVZGQZ-MANSERQUSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001099495801 1258177032 /nfs/dbraw/zinc/17/70/32/1258177032.db2.gz CVLOBDVWBVZGQZ-MANSERQUSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001099597654 1258246433 /nfs/dbraw/zinc/24/64/33/1258246433.db2.gz ZDZILSYEUMLVLH-SFHVURJKSA-N 2 1 349.519 2.036 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001101039530 1259602836 /nfs/dbraw/zinc/60/28/36/1259602836.db2.gz QHCJDMFKJXOLNJ-UHFFFAOYSA-N 2 1 346.450 2.022 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001187298548 1279498327 /nfs/dbraw/zinc/49/83/27/1279498327.db2.gz ISDGMVBYFFAVDU-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174215 1280720483 /nfs/dbraw/zinc/72/04/83/1280720483.db2.gz DIGUWNKDQBTCEL-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190174215 1280720484 /nfs/dbraw/zinc/72/04/84/1280720484.db2.gz DIGUWNKDQBTCEL-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190174215 1280720487 /nfs/dbraw/zinc/72/04/87/1280720487.db2.gz DIGUWNKDQBTCEL-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193290845 1282426416 /nfs/dbraw/zinc/42/64/16/1282426416.db2.gz FPCIMUJCSFHQMC-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193290845 1282426421 /nfs/dbraw/zinc/42/64/21/1282426421.db2.gz FPCIMUJCSFHQMC-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193290845 1282426427 /nfs/dbraw/zinc/42/64/27/1282426427.db2.gz FPCIMUJCSFHQMC-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194153576 1282915383 /nfs/dbraw/zinc/91/53/83/1282915383.db2.gz FTWFPQHQLSKQRW-ROUUACIJSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194153576 1282915385 /nfs/dbraw/zinc/91/53/85/1282915385.db2.gz FTWFPQHQLSKQRW-ROUUACIJSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194153576 1282915388 /nfs/dbraw/zinc/91/53/88/1282915388.db2.gz FTWFPQHQLSKQRW-ROUUACIJSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001194153576 1282915391 /nfs/dbraw/zinc/91/53/91/1282915391.db2.gz FTWFPQHQLSKQRW-ROUUACIJSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001194153576 1282915393 /nfs/dbraw/zinc/91/53/93/1282915393.db2.gz FTWFPQHQLSKQRW-ROUUACIJSA-N 2 1 339.524 2.210 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001071176743 1286907666 /nfs/dbraw/zinc/90/76/66/1286907666.db2.gz ZXHBCTBQIZKZRI-PXNSSMCTSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@H](C)O2 ZINC001071176743 1286907672 /nfs/dbraw/zinc/90/76/72/1286907672.db2.gz ZXHBCTBQIZKZRI-PXNSSMCTSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@H](C)O2 ZINC001071176743 1286907674 /nfs/dbraw/zinc/90/76/74/1286907674.db2.gz ZXHBCTBQIZKZRI-PXNSSMCTSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738034 1296083939 /nfs/dbraw/zinc/08/39/39/1296083939.db2.gz CDVODAJDYNDLSO-SFHVURJKSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001072738034 1296083948 /nfs/dbraw/zinc/08/39/48/1296083948.db2.gz CDVODAJDYNDLSO-SFHVURJKSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001072738034 1296083964 /nfs/dbraw/zinc/08/39/64/1296083964.db2.gz CDVODAJDYNDLSO-SFHVURJKSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073634458 1297332954 /nfs/dbraw/zinc/33/29/54/1297332954.db2.gz SFLOMLFZJFHAMI-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001073634458 1297332962 /nfs/dbraw/zinc/33/29/62/1297332962.db2.gz SFLOMLFZJFHAMI-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001073634458 1297332973 /nfs/dbraw/zinc/33/29/73/1297332973.db2.gz SFLOMLFZJFHAMI-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220746583 1298522176 /nfs/dbraw/zinc/52/21/76/1298522176.db2.gz GJJZVCYUTAPHRG-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229463159 1302793888 /nfs/dbraw/zinc/79/38/88/1302793888.db2.gz ZMNYNYBCWBGULC-SFHVURJKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436482 1302959330 /nfs/dbraw/zinc/95/93/30/1302959330.db2.gz ZXLQEBZFRULKPI-SQWLQELKSA-N 2 1 327.900 2.155 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001230574313 1303287229 /nfs/dbraw/zinc/28/72/29/1303287229.db2.gz BCVLLRKXLZDFQT-GOSISDBHSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230574313 1303287235 /nfs/dbraw/zinc/28/72/35/1303287235.db2.gz BCVLLRKXLZDFQT-GOSISDBHSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230574313 1303287238 /nfs/dbraw/zinc/28/72/38/1303287238.db2.gz BCVLLRKXLZDFQT-GOSISDBHSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001103750691 1303295335 /nfs/dbraw/zinc/29/53/35/1303295335.db2.gz IOKKNQAKDHTDTQ-YLJYHZDGSA-N 2 1 341.499 2.459 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)Cc1cccnc1 ZINC001230778638 1303450751 /nfs/dbraw/zinc/45/07/51/1303450751.db2.gz UYPYCJGKRWGFKV-UHFFFAOYSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)C[NH+](C)C1CCC1)Cc1cccnc1 ZINC001230778638 1303450753 /nfs/dbraw/zinc/45/07/53/1303450753.db2.gz UYPYCJGKRWGFKV-UHFFFAOYSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)C[NH+](C)C1CCC1)Cc1cccnc1 ZINC001230778638 1303450755 /nfs/dbraw/zinc/45/07/55/1303450755.db2.gz UYPYCJGKRWGFKV-UHFFFAOYSA-N 2 1 344.503 2.450 20 30 EEEDMP C[NH+]1CCN(c2ccc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)cn2)CC1 ZINC001232362131 1304095560 /nfs/dbraw/zinc/09/55/60/1304095560.db2.gz KYIOJYMKSFUHRZ-NNZMDNLPSA-N 2 1 325.460 2.100 20 30 EEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546494 1305318954 /nfs/dbraw/zinc/31/89/54/1305318954.db2.gz PSSOTESRHRLVGJ-ROUUACIJSA-N 2 1 349.519 2.225 20 30 EEEDMP Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1 ZINC001118183892 1306308716 /nfs/dbraw/zinc/30/87/16/1306308716.db2.gz XVJSNMQTRJPHIC-SFHVURJKSA-N 2 1 328.460 2.051 20 30 EEEDMP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OCC ZINC001245981790 1310200044 /nfs/dbraw/zinc/20/00/44/1310200044.db2.gz MLNPWWDCRNYVKG-BBWFWOEESA-N 2 1 328.497 2.229 20 30 EEEDMP CCCCCCC[C@H](CCC)[NH2+]CCS(=O)(=O)N1CC[NH2+]CC1 ZINC001246099820 1310236170 /nfs/dbraw/zinc/23/61/70/1310236170.db2.gz KKVQDPIHRLLOAQ-KRWDZBQOSA-N 2 1 347.569 2.340 20 30 EEEDMP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001246306445 1310276193 /nfs/dbraw/zinc/27/61/93/1310276193.db2.gz WECOVOLQHCRBAR-GOSISDBHSA-N 2 1 337.423 2.453 20 30 EEEDMP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001246306445 1310276203 /nfs/dbraw/zinc/27/62/03/1310276203.db2.gz WECOVOLQHCRBAR-GOSISDBHSA-N 2 1 337.423 2.453 20 30 EEEDMP C#CCOc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001138557412 1314630177 /nfs/dbraw/zinc/63/01/77/1314630177.db2.gz ABFSCQSKGJITJQ-UHFFFAOYSA-N 2 1 327.428 2.329 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001149946693 1316098877 /nfs/dbraw/zinc/09/88/77/1316098877.db2.gz MBSWUBSNMSLVAD-ZWKOTPCHSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451859 1316266707 /nfs/dbraw/zinc/26/67/07/1316266707.db2.gz ARYZCKTYTAGLAK-QZTJIDSGSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001151362274 1316512612 /nfs/dbraw/zinc/51/26/12/1316512612.db2.gz AREKUQBQUPSBTI-UHFFFAOYSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155558668 1317651190 /nfs/dbraw/zinc/65/11/90/1317651190.db2.gz AJWGUNVHGBCPQA-MRXNPFEDSA-N 2 1 336.480 2.036 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155558668 1317651199 /nfs/dbraw/zinc/65/11/99/1317651199.db2.gz AJWGUNVHGBCPQA-MRXNPFEDSA-N 2 1 336.480 2.036 20 30 EEEDMP C=C[C@@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001253576723 1317885638 /nfs/dbraw/zinc/88/56/38/1317885638.db2.gz HEMUMNSFFDYSPK-RTBURBONSA-N 2 1 330.472 2.289 20 30 EEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156341207 1317970469 /nfs/dbraw/zinc/97/04/69/1317970469.db2.gz AMHNQVXGEUFJBF-YLJYHZDGSA-N 2 1 329.488 2.313 20 30 EEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156342285 1317971873 /nfs/dbraw/zinc/97/18/73/1317971873.db2.gz YAVOCZDQKGWUKP-YLJYHZDGSA-N 2 1 329.488 2.313 20 30 EEEDMP CC[C@@H](CC#N)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001255171799 1318311372 /nfs/dbraw/zinc/31/13/72/1318311372.db2.gz BCOSZAJNGMUYPU-CEXWTWQISA-N 2 1 328.460 2.297 20 30 EEEDMP C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158750291 1319417890 /nfs/dbraw/zinc/41/78/90/1319417890.db2.gz JYLRIOMUFIFDQD-HZPDHXFCSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158750291 1319417895 /nfs/dbraw/zinc/41/78/95/1319417895.db2.gz JYLRIOMUFIFDQD-HZPDHXFCSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158750291 1319417898 /nfs/dbraw/zinc/41/78/98/1319417898.db2.gz JYLRIOMUFIFDQD-HZPDHXFCSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158750291 1319417900 /nfs/dbraw/zinc/41/79/00/1319417900.db2.gz JYLRIOMUFIFDQD-HZPDHXFCSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158750291 1319417903 /nfs/dbraw/zinc/41/79/03/1319417903.db2.gz JYLRIOMUFIFDQD-HZPDHXFCSA-N 2 1 327.900 2.394 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001159901379 1320015734 /nfs/dbraw/zinc/01/57/34/1320015734.db2.gz FTKYLRMUFQSXCL-LJQANCHMSA-N 2 1 342.487 2.417 20 30 EEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001160997987 1320349160 /nfs/dbraw/zinc/34/91/60/1320349160.db2.gz ZRFJNTAIYLUAEG-IBGZPJMESA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160997987 1320349163 /nfs/dbraw/zinc/34/91/63/1320349163.db2.gz ZRFJNTAIYLUAEG-IBGZPJMESA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160997987 1320349166 /nfs/dbraw/zinc/34/91/66/1320349166.db2.gz ZRFJNTAIYLUAEG-IBGZPJMESA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930632 1320680814 /nfs/dbraw/zinc/68/08/14/1320680814.db2.gz FBCUQWXICWCFGY-UHFFFAOYSA-N 2 1 349.519 2.203 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC001207789672 1324151389 /nfs/dbraw/zinc/15/13/89/1324151389.db2.gz CXGDECMGSQGJFU-CKEIUWERSA-N 2 1 334.464 2.141 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207789672 1324151392 /nfs/dbraw/zinc/15/13/92/1324151392.db2.gz CXGDECMGSQGJFU-CKEIUWERSA-N 2 1 334.464 2.141 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207789672 1324151397 /nfs/dbraw/zinc/15/13/97/1324151397.db2.gz CXGDECMGSQGJFU-CKEIUWERSA-N 2 1 334.464 2.141 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCC=C)C1 ZINC001208352643 1324444842 /nfs/dbraw/zinc/44/48/42/1324444842.db2.gz KKDQTTIZFDGIFO-OALUTQOASA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCC=C)C1 ZINC001208352643 1324444846 /nfs/dbraw/zinc/44/48/46/1324444846.db2.gz KKDQTTIZFDGIFO-OALUTQOASA-N 2 1 331.504 2.411 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209642141 1324997021 /nfs/dbraw/zinc/99/70/21/1324997021.db2.gz MLUXNVBLWLWLHP-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001210347707 1325247898 /nfs/dbraw/zinc/24/78/98/1325247898.db2.gz BZOJYLIBRDUQBM-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210643938 1325363795 /nfs/dbraw/zinc/36/37/95/1325363795.db2.gz MGSWHVCLCBLLSG-OALUTQOASA-N 2 1 327.472 2.283 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001491891406 1330291782 /nfs/dbraw/zinc/29/17/82/1330291782.db2.gz KBPNXFFBLDTJPM-RTBURBONSA-N 2 1 342.487 2.417 20 30 EEEDMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001492035477 1330459542 /nfs/dbraw/zinc/45/95/42/1330459542.db2.gz ZEHACGXHWOSYSV-CQSZACIVSA-N 2 1 346.450 2.166 20 30 EEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC001353678687 1338318179 /nfs/dbraw/zinc/31/81/79/1338318179.db2.gz QCKVVPWPAHOQPN-LJQANCHMSA-N 2 1 345.487 2.413 20 30 EEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC001353678687 1338318180 /nfs/dbraw/zinc/31/81/80/1338318180.db2.gz QCKVVPWPAHOQPN-LJQANCHMSA-N 2 1 345.487 2.413 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1)C1CCC1 ZINC001436344322 1342042922 /nfs/dbraw/zinc/04/29/22/1342042922.db2.gz JQUAYZFXXOTONB-RHNCMZPLSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001103758361 1371060250 /nfs/dbraw/zinc/06/02/50/1371060250.db2.gz GUCFBGSDALRAHF-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758361 1371060253 /nfs/dbraw/zinc/06/02/53/1371060253.db2.gz GUCFBGSDALRAHF-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758361 1371060260 /nfs/dbraw/zinc/06/02/60/1371060260.db2.gz GUCFBGSDALRAHF-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001378895445 1380245337 /nfs/dbraw/zinc/24/53/37/1380245337.db2.gz IQFMQORTNSHKPP-OCCSQVGLSA-N 2 1 346.313 2.063 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001379805888 1380899644 /nfs/dbraw/zinc/89/96/44/1380899644.db2.gz WLYUQWXTEXPJIH-KRWDZBQOSA-N 2 1 342.487 2.371 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001752798213 1406417822 /nfs/dbraw/zinc/41/78/22/1406417822.db2.gz WEMKUWOETXPTRQ-OALUTQOASA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC/C=C/CC)C1 ZINC001753332573 1406729718 /nfs/dbraw/zinc/72/97/18/1406729718.db2.gz QHNKUAYRXNCQJG-YSKLNCTFSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001753332573 1406729725 /nfs/dbraw/zinc/72/97/25/1406729725.db2.gz QHNKUAYRXNCQJG-YSKLNCTFSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC/C=C/CC)C1 ZINC001753332573 1406729737 /nfs/dbraw/zinc/72/97/37/1406729737.db2.gz QHNKUAYRXNCQJG-YSKLNCTFSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC/C=C/CC)C1 ZINC001753332573 1406729744 /nfs/dbraw/zinc/72/97/44/1406729744.db2.gz QHNKUAYRXNCQJG-YSKLNCTFSA-N 2 1 331.504 2.269 20 30 EEEDMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001401141724 1396975583 /nfs/dbraw/zinc/97/55/83/1396975583.db2.gz VFRGNVOPRLGDIJ-RDTXWAMCSA-N 2 1 346.450 2.024 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001402066372 1397744295 /nfs/dbraw/zinc/74/42/95/1397744295.db2.gz RGDRTXWHHBTGFL-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001402192892 1397832994 /nfs/dbraw/zinc/83/29/94/1397832994.db2.gz UXDFAKTWTFMKPS-HNNXBMFYSA-N 2 1 327.900 2.442 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001403321845 1399763307 /nfs/dbraw/zinc/76/33/07/1399763307.db2.gz TVTIAESBTJXLNB-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001403321845 1399763310 /nfs/dbraw/zinc/76/33/10/1399763310.db2.gz TVTIAESBTJXLNB-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001403321845 1399763313 /nfs/dbraw/zinc/76/33/13/1399763313.db2.gz TVTIAESBTJXLNB-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001755741035 1407800594 /nfs/dbraw/zinc/80/05/94/1407800594.db2.gz CZQDZTAALJNIMS-PMACEKPBSA-N 2 1 341.499 2.059 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449987 760441908 /nfs/dbraw/zinc/44/19/08/760441908.db2.gz XFUXVBDDQIJLQL-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104743052 764958851 /nfs/dbraw/zinc/95/88/51/764958851.db2.gz ZVCFZVJXBCEISG-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1CCC)C[C@H](C)O2 ZINC001098603031 764967964 /nfs/dbraw/zinc/96/79/64/764967964.db2.gz JDELEZLLPDOXAH-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106532 782920754 /nfs/dbraw/zinc/92/07/54/782920754.db2.gz FZJLSAYXBJVXQX-GJYPPUQNSA-N 2 1 337.483 2.165 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106532 782920757 /nfs/dbraw/zinc/92/07/57/782920757.db2.gz FZJLSAYXBJVXQX-GJYPPUQNSA-N 2 1 337.483 2.165 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106532 782920760 /nfs/dbraw/zinc/92/07/60/782920760.db2.gz FZJLSAYXBJVXQX-GJYPPUQNSA-N 2 1 337.483 2.165 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212726 783065974 /nfs/dbraw/zinc/06/59/74/783065974.db2.gz LIVSOHLCIBKKAS-AABGKKOBSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530157 773427874 /nfs/dbraw/zinc/42/78/74/773427874.db2.gz GICNIFFRFTTXHE-ZWOKBUDYSA-N 2 1 342.487 2.158 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656422 773963088 /nfs/dbraw/zinc/96/30/88/773963088.db2.gz ISQHDYPNYKOTEE-GOSISDBHSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686761 774319230 /nfs/dbraw/zinc/31/92/30/774319230.db2.gz YDGQCJKLXNYWOT-BZSNNMDCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089686761 774319236 /nfs/dbraw/zinc/31/92/36/774319236.db2.gz YDGQCJKLXNYWOT-BZSNNMDCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089686761 774319241 /nfs/dbraw/zinc/31/92/41/774319241.db2.gz YDGQCJKLXNYWOT-BZSNNMDCSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(CN2CCCC2)on1 ZINC001028140166 778369357 /nfs/dbraw/zinc/36/93/57/778369357.db2.gz XMVMEVZTGMHDAR-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028140166 778369363 /nfs/dbraw/zinc/36/93/63/778369363.db2.gz XMVMEVZTGMHDAR-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028140166 778369369 /nfs/dbraw/zinc/36/93/69/778369369.db2.gz XMVMEVZTGMHDAR-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982280105 779519920 /nfs/dbraw/zinc/51/99/20/779519920.db2.gz UOSJWQZCWOHXPK-QGZVKYPTSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982280105 779519925 /nfs/dbraw/zinc/51/99/25/779519925.db2.gz UOSJWQZCWOHXPK-QGZVKYPTSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982280105 779519933 /nfs/dbraw/zinc/51/99/33/779519933.db2.gz UOSJWQZCWOHXPK-QGZVKYPTSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942101081 781723321 /nfs/dbraw/zinc/72/33/21/781723321.db2.gz QIHCBDREBJYNTF-HOCLYGCPSA-N 2 1 333.501 2.273 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001088316228 783486107 /nfs/dbraw/zinc/48/61/07/783486107.db2.gz URAGLIFJMQVGCJ-IAGOWNOFSA-N 2 1 330.476 2.391 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C[C@@H]2C)CC1 ZINC000945183868 783575416 /nfs/dbraw/zinc/57/54/16/783575416.db2.gz UGTFCAWONNKVQW-PXNSSMCTSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035193776 784083417 /nfs/dbraw/zinc/08/34/17/784083417.db2.gz OGTIXCREMWPQNJ-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035193776 784083422 /nfs/dbraw/zinc/08/34/22/784083422.db2.gz OGTIXCREMWPQNJ-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244113 784175176 /nfs/dbraw/zinc/17/51/76/784175176.db2.gz IXCXNWBRJQPUIC-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC001035256511 784205699 /nfs/dbraw/zinc/20/56/99/784205699.db2.gz IHCZYFKWQYAUHH-UHFFFAOYSA-N 2 1 339.483 2.310 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086788203 784487350 /nfs/dbraw/zinc/48/73/50/784487350.db2.gz FQBQORVPZYVCSF-GVDBMIGSSA-N 2 1 330.476 2.205 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135860820 784649393 /nfs/dbraw/zinc/64/93/93/784649393.db2.gz HYODXRBGQZRYMS-HZPDHXFCSA-N 2 1 330.476 2.273 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035724493 785023098 /nfs/dbraw/zinc/02/30/98/785023098.db2.gz IZNULRLRFRNDNM-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035724493 785023104 /nfs/dbraw/zinc/02/31/04/785023104.db2.gz IZNULRLRFRNDNM-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035772443 785151770 /nfs/dbraw/zinc/15/17/70/785151770.db2.gz BEWYWHNOWHWCAS-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000995900817 785799881 /nfs/dbraw/zinc/79/98/81/785799881.db2.gz ZUKWLTAJFQIZJV-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000996687502 787139697 /nfs/dbraw/zinc/13/96/97/787139697.db2.gz XDDHGGXOTFCKSW-IBGZPJMESA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000996687502 787139700 /nfs/dbraw/zinc/13/97/00/787139700.db2.gz XDDHGGXOTFCKSW-IBGZPJMESA-N 2 1 343.446 2.004 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171120627 789039809 /nfs/dbraw/zinc/03/98/09/789039809.db2.gz OPSJDIGJNYBNKU-MSOLQXFVSA-N 2 1 339.524 2.328 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358933 789435296 /nfs/dbraw/zinc/43/52/96/789435296.db2.gz MXXLHDRIILIUMT-IPMKNSEASA-N 2 1 343.471 2.010 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946904530 789622135 /nfs/dbraw/zinc/62/21/35/789622135.db2.gz IMHLHKQVMMVOFR-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946904530 789622144 /nfs/dbraw/zinc/62/21/44/789622144.db2.gz IMHLHKQVMMVOFR-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001091100379 789803993 /nfs/dbraw/zinc/80/39/93/789803993.db2.gz RHLJWRSKOKKCMX-MQBCKMQZSA-N 2 1 346.500 2.088 20 30 EEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098950 792121491 /nfs/dbraw/zinc/12/14/91/792121491.db2.gz ZJRUGHLFOQYYSI-HZPDHXFCSA-N 2 1 327.488 2.459 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@H]12 ZINC000992352389 793770247 /nfs/dbraw/zinc/77/02/47/793770247.db2.gz OYNHGTAAIBTUME-HKUYNNGSSA-N 2 1 337.427 2.180 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@H]12 ZINC000992352389 793770258 /nfs/dbraw/zinc/77/02/58/793770258.db2.gz OYNHGTAAIBTUME-HKUYNNGSSA-N 2 1 337.427 2.180 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC=C(C)C)CC3)CC1 ZINC000992504094 794433509 /nfs/dbraw/zinc/43/35/09/794433509.db2.gz GBUVPUYQPQMXKV-PZJWPPBQSA-N 2 1 343.515 2.411 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036747004 794755081 /nfs/dbraw/zinc/75/50/81/794755081.db2.gz CAIILTZTVHEGCS-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]2C)CC1 ZINC001093224318 794879612 /nfs/dbraw/zinc/87/96/12/794879612.db2.gz QALPKIKHUQONFH-YQVWRLOYSA-N 2 1 333.520 2.062 20 30 EEEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089944090 794995969 /nfs/dbraw/zinc/99/59/69/794995969.db2.gz YAHWWYLBCGHCFC-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089944090 794995977 /nfs/dbraw/zinc/99/59/77/794995977.db2.gz YAHWWYLBCGHCFC-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944090 794995982 /nfs/dbraw/zinc/99/59/82/794995982.db2.gz YAHWWYLBCGHCFC-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944090 794995990 /nfs/dbraw/zinc/99/59/90/794995990.db2.gz YAHWWYLBCGHCFC-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+](C)C1CCC1)CCO2 ZINC001093399505 795177074 /nfs/dbraw/zinc/17/70/74/795177074.db2.gz GWUVHVKHODHZMT-UHFFFAOYSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036866945 795609045 /nfs/dbraw/zinc/60/90/45/795609045.db2.gz MWQFORTZTQSRBB-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001080456250 796051848 /nfs/dbraw/zinc/05/18/48/796051848.db2.gz VMAIVJBHXACNKK-VQIMIIECSA-N 2 1 329.488 2.417 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432803 796226536 /nfs/dbraw/zinc/22/65/36/796226536.db2.gz BGBYTCIVIKBYCU-QKNQBKEWSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432803 796226540 /nfs/dbraw/zinc/22/65/40/796226540.db2.gz BGBYTCIVIKBYCU-QKNQBKEWSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432803 796226543 /nfs/dbraw/zinc/22/65/43/796226543.db2.gz BGBYTCIVIKBYCU-QKNQBKEWSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC001094453974 796263731 /nfs/dbraw/zinc/26/37/31/796263731.db2.gz IWMANVINONXFCM-IEBWSBKVSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC001094453974 796263737 /nfs/dbraw/zinc/26/37/37/796263737.db2.gz IWMANVINONXFCM-IEBWSBKVSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C12CCC2 ZINC001078683979 796813886 /nfs/dbraw/zinc/81/38/86/796813886.db2.gz ZSOZCUIUGWENCB-MSOLQXFVSA-N 2 1 342.487 2.355 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172100262 796871724 /nfs/dbraw/zinc/87/17/24/796871724.db2.gz CMDKNUNOXVRDPG-MKXGPGLRSA-N 2 1 341.499 2.497 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172100262 796871733 /nfs/dbraw/zinc/87/17/33/796871733.db2.gz CMDKNUNOXVRDPG-MKXGPGLRSA-N 2 1 341.499 2.497 20 30 EEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001172312665 796952613 /nfs/dbraw/zinc/95/26/13/796952613.db2.gz IDDQAFHZCJJGHF-GOSISDBHSA-N 2 1 340.515 2.449 20 30 EEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001175287795 798049319 /nfs/dbraw/zinc/04/93/19/798049319.db2.gz GPXCYMGHMHATRM-MRXNPFEDSA-N 2 1 346.475 2.172 20 30 EEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001175704512 798218132 /nfs/dbraw/zinc/21/81/32/798218132.db2.gz YDQAORXYHZNLAN-GOSISDBHSA-N 2 1 339.524 2.330 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176844008 798580121 /nfs/dbraw/zinc/58/01/21/798580121.db2.gz DNIBMDDNSSZHKH-IYBDPMFKSA-N 2 1 328.460 2.027 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001016335547 798677718 /nfs/dbraw/zinc/67/77/18/798677718.db2.gz DVZHEABJDWYWFN-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001177169982 798761105 /nfs/dbraw/zinc/76/11/05/798761105.db2.gz JTMBKCGOJZZUGT-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001177169982 798761110 /nfs/dbraw/zinc/76/11/10/798761110.db2.gz JTMBKCGOJZZUGT-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003776191 800142618 /nfs/dbraw/zinc/14/26/18/800142618.db2.gz JYXSXMBIMKDLFZ-HOTGVXAUSA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003776191 800142622 /nfs/dbraw/zinc/14/26/22/800142622.db2.gz JYXSXMBIMKDLFZ-HOTGVXAUSA-N 2 1 325.884 2.336 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108207947 801147665 /nfs/dbraw/zinc/14/76/65/801147665.db2.gz TVQORMFFUBMILC-IEBWSBKVSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592346 801681069 /nfs/dbraw/zinc/68/10/69/801681069.db2.gz INZYFXMWNGEPLQ-KDURUIRLSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3CC)CC[C@@H]2C1 ZINC000946597899 801807965 /nfs/dbraw/zinc/80/79/65/801807965.db2.gz PFBNYMGLNQUNDS-KURKYZTESA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)CC[C@@H]2C1 ZINC000946597899 801807972 /nfs/dbraw/zinc/80/79/72/801807972.db2.gz PFBNYMGLNQUNDS-KURKYZTESA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)CC[C@@H]2C1 ZINC000946597899 801807977 /nfs/dbraw/zinc/80/79/77/801807977.db2.gz PFBNYMGLNQUNDS-KURKYZTESA-N 2 1 342.487 2.200 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004455729 802114603 /nfs/dbraw/zinc/11/46/03/802114603.db2.gz ABTJMHCTLHEWEO-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004457419 802118841 /nfs/dbraw/zinc/11/88/41/802118841.db2.gz KQFSXIIQPIRTIV-RBUKOAKNSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001184700863 802135668 /nfs/dbraw/zinc/13/56/68/802135668.db2.gz HBWCUIOSSQOFMZ-HOTGVXAUSA-N 2 1 348.491 2.390 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001004475572 802174986 /nfs/dbraw/zinc/17/49/86/802174986.db2.gz UTRXUOVBTWVYLQ-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004475572 802174991 /nfs/dbraw/zinc/17/49/91/802174991.db2.gz UTRXUOVBTWVYLQ-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004475572 802174995 /nfs/dbraw/zinc/17/49/95/802174995.db2.gz UTRXUOVBTWVYLQ-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001004538871 802310115 /nfs/dbraw/zinc/31/01/15/802310115.db2.gz CHPQKGBRUPXVNA-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004538871 802310122 /nfs/dbraw/zinc/31/01/22/802310122.db2.gz CHPQKGBRUPXVNA-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004538871 802310129 /nfs/dbraw/zinc/31/01/29/802310129.db2.gz CHPQKGBRUPXVNA-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004622747 802484307 /nfs/dbraw/zinc/48/43/07/802484307.db2.gz YXIBFTZNBHZKGM-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086205496 802492527 /nfs/dbraw/zinc/49/25/27/802492527.db2.gz UQBAOJRACWBCAL-MDNKFWRPSA-N 2 1 341.499 2.392 20 30 EEEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086589226 808838161 /nfs/dbraw/zinc/83/81/61/808838161.db2.gz NXTFULSRFDEVCF-RSPOEFSDSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001086589226 808838165 /nfs/dbraw/zinc/83/81/65/808838165.db2.gz NXTFULSRFDEVCF-RSPOEFSDSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001086589226 808838172 /nfs/dbraw/zinc/83/81/72/808838172.db2.gz NXTFULSRFDEVCF-RSPOEFSDSA-N 2 1 341.499 2.487 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001129771330 810994488 /nfs/dbraw/zinc/99/44/88/810994488.db2.gz VXJMFPPCHAEBOX-ROUUACIJSA-N 2 1 345.874 2.131 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001129771330 810994492 /nfs/dbraw/zinc/99/44/92/810994492.db2.gz VXJMFPPCHAEBOX-ROUUACIJSA-N 2 1 345.874 2.131 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086658948 812428869 /nfs/dbraw/zinc/42/88/69/812428869.db2.gz GANLJVZCHUAMFP-IPELMVKDSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC1([NH+](C)C)CCCC1)C[C@@H](C)O2 ZINC001131669842 813102648 /nfs/dbraw/zinc/10/26/48/813102648.db2.gz UZSZWIXSDCVHFF-XLIONFOSSA-N 2 1 349.519 2.129 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001445867670 1091789250 /nfs/dbraw/zinc/78/92/50/1091789250.db2.gz GVJUWCFQJQZDEA-QGZVFWFLSA-N 2 1 342.487 2.371 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccc(C#N)s2)C1 ZINC001440464399 1093685812 /nfs/dbraw/zinc/68/58/12/1093685812.db2.gz LEYOYOOPEJJGFT-HNNXBMFYSA-N 2 1 348.516 2.242 20 30 EEEDMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001440464399 1093685818 /nfs/dbraw/zinc/68/58/18/1093685818.db2.gz LEYOYOOPEJJGFT-HNNXBMFYSA-N 2 1 348.516 2.242 20 30 EEEDMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001440464399 1093685824 /nfs/dbraw/zinc/68/58/24/1093685824.db2.gz LEYOYOOPEJJGFT-HNNXBMFYSA-N 2 1 348.516 2.242 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001441387515 1094939083 /nfs/dbraw/zinc/93/90/83/1094939083.db2.gz OQQPKMSMEJLYNT-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C=CC[NH+]1CCC(Nc2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000266447749 201220793 /nfs/dbraw/zinc/22/07/93/201220793.db2.gz WWUYRJHNBMXUAR-UHFFFAOYSA-N 2 1 343.431 2.292 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942209346 781985981 /nfs/dbraw/zinc/98/59/81/781985981.db2.gz VSMUHSPCKIKJTG-GOEBONIOSA-N 2 1 334.464 2.143 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942209346 781985988 /nfs/dbraw/zinc/98/59/88/781985988.db2.gz VSMUHSPCKIKJTG-GOEBONIOSA-N 2 1 334.464 2.143 20 30 EEEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000576029161 320134418 /nfs/dbraw/zinc/13/44/18/320134418.db2.gz UWWZBAMZCIGQNW-IEBWSBKVSA-N 2 1 345.487 2.400 20 30 EEEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)[C@H]2CC[C@H](C#N)C2)cc[nH+]1 ZINC000328848344 465147125 /nfs/dbraw/zinc/14/71/25/465147125.db2.gz RAWYFJIRKAYYFL-VGWMRTNUSA-N 2 1 346.454 2.083 20 30 EEEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc[nH+]1 ZINC000328848344 465147131 /nfs/dbraw/zinc/14/71/31/465147131.db2.gz RAWYFJIRKAYYFL-VGWMRTNUSA-N 2 1 346.454 2.083 20 30 EEEDMP CC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264136523 464286745 /nfs/dbraw/zinc/28/67/45/464286745.db2.gz ZVWRQTOTOMRYGB-WMZOPIPTSA-N 2 1 331.508 2.068 20 30 EEEDMP CC[C@H](C)NC(=[NH2+])NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000264136523 464286752 /nfs/dbraw/zinc/28/67/52/464286752.db2.gz ZVWRQTOTOMRYGB-WMZOPIPTSA-N 2 1 331.508 2.068 20 30 EEEDMP CC[C@H](C)NC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000264136523 464286755 /nfs/dbraw/zinc/28/67/55/464286755.db2.gz ZVWRQTOTOMRYGB-WMZOPIPTSA-N 2 1 331.508 2.068 20 30 EEEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353413170 465865188 /nfs/dbraw/zinc/86/51/88/465865188.db2.gz OMXXXXCMNJXLRT-IBGZPJMESA-N 2 1 340.471 2.078 20 30 EEEDMP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000361798525 466299061 /nfs/dbraw/zinc/29/90/61/466299061.db2.gz MUZUICVKQZYMIJ-ROUUACIJSA-N 2 1 325.460 2.138 20 30 EEEDMP COCC[NH+]1CCC([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000358080390 466437794 /nfs/dbraw/zinc/43/77/94/466437794.db2.gz GPUODDJULCXLCA-UHFFFAOYSA-N 2 1 333.501 2.492 20 30 EEEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424138065 466987405 /nfs/dbraw/zinc/98/74/05/466987405.db2.gz BSMQLRMQDKRIAP-CXAGYDPISA-N 2 1 325.416 2.379 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000490589251 468222956 /nfs/dbraw/zinc/22/29/56/468222956.db2.gz AFNXGALHUUJMMB-SCTDSRPQSA-N 2 1 331.504 2.195 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)CC#N)CC2)CC1 ZINC000594368999 468563714 /nfs/dbraw/zinc/56/37/14/468563714.db2.gz VMKCVXGDNLXBME-UHFFFAOYSA-N 2 1 334.508 2.239 20 30 EEEDMP N#CC[C@]1(O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000592523321 468719328 /nfs/dbraw/zinc/71/93/28/468719328.db2.gz KURZSEHCXCIZAK-IBGZPJMESA-N 2 1 329.444 2.012 20 30 EEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H](C)C1 ZINC000598609617 468932261 /nfs/dbraw/zinc/93/22/61/468932261.db2.gz SXNGJUOHZNTSDK-ULQDDVLXSA-N 2 1 325.497 2.014 20 30 EEEDMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000602527048 469350793 /nfs/dbraw/zinc/35/07/93/469350793.db2.gz IUHZOZZWEZZJRA-RBUKOAKNSA-N 2 1 342.487 2.377 20 30 EEEDMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000602527048 469350796 /nfs/dbraw/zinc/35/07/96/469350796.db2.gz IUHZOZZWEZZJRA-RBUKOAKNSA-N 2 1 342.487 2.377 20 30 EEEDMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1C#N ZINC000618594217 469398914 /nfs/dbraw/zinc/39/89/14/469398914.db2.gz SFAIPDLGNCURHZ-FQEVSTJZSA-N 2 1 326.488 2.467 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000609133551 469894528 /nfs/dbraw/zinc/89/45/28/469894528.db2.gz URDNKDUPQCWRCM-UHFFFAOYSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635531929 470638378 /nfs/dbraw/zinc/63/83/78/470638378.db2.gz WXTDMHBZUJVVJS-UHFFFAOYSA-N 2 1 329.488 2.318 20 30 EEEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377196488 527017796 /nfs/dbraw/zinc/01/77/96/527017796.db2.gz IWNJJWUCFPJRPP-GOSISDBHSA-N 2 1 339.483 2.112 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764468424 577736865 /nfs/dbraw/zinc/73/68/65/577736865.db2.gz JBSHIWHPESFTAT-YLJYHZDGSA-N 2 1 342.487 2.047 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764468424 577736866 /nfs/dbraw/zinc/73/68/66/577736866.db2.gz JBSHIWHPESFTAT-YLJYHZDGSA-N 2 1 342.487 2.047 20 30 EEEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969153998 674640000 /nfs/dbraw/zinc/64/00/00/674640000.db2.gz UZIXCTRCDAMHKY-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969153998 674640001 /nfs/dbraw/zinc/64/00/01/674640001.db2.gz UZIXCTRCDAMHKY-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153998 674640002 /nfs/dbraw/zinc/64/00/02/674640002.db2.gz UZIXCTRCDAMHKY-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153998 674640003 /nfs/dbraw/zinc/64/00/03/674640003.db2.gz UZIXCTRCDAMHKY-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001020591513 675224526 /nfs/dbraw/zinc/22/45/26/675224526.db2.gz PLZAVUBSOLSTJB-IYARVYRRSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001021638401 676293909 /nfs/dbraw/zinc/29/39/09/676293909.db2.gz DSRGNSMAPGURHC-UYAOXDASSA-N 2 1 348.450 2.432 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663188 676318142 /nfs/dbraw/zinc/31/81/42/676318142.db2.gz APDPFRXVDDESNP-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663188 676318144 /nfs/dbraw/zinc/31/81/44/676318144.db2.gz APDPFRXVDDESNP-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021667386 676321539 /nfs/dbraw/zinc/32/15/39/676321539.db2.gz DFSAEBPJXKLBDY-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700005 676359041 /nfs/dbraw/zinc/35/90/41/676359041.db2.gz MDIYYOBLIBYRKG-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737568 676395667 /nfs/dbraw/zinc/39/56/67/676395667.db2.gz VTVYPWLNUKUYIF-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737568 676395669 /nfs/dbraw/zinc/39/56/69/676395669.db2.gz VTVYPWLNUKUYIF-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP N#Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)c1 ZINC001022202115 676727677 /nfs/dbraw/zinc/72/76/77/676727677.db2.gz QIUSKEOHWXSIMU-FGTMMUONSA-N 2 1 349.438 2.069 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001023553996 679374532 /nfs/dbraw/zinc/37/45/32/679374532.db2.gz DUABFHQASCBPFE-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556016 679376487 /nfs/dbraw/zinc/37/64/87/679376487.db2.gz FUWIZZTVGIGIPY-DLBZAZTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556016 679376488 /nfs/dbraw/zinc/37/64/88/679376488.db2.gz FUWIZZTVGIGIPY-DLBZAZTESA-N 2 1 330.476 2.158 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC000984800135 685275390 /nfs/dbraw/zinc/27/53/90/685275390.db2.gz OMTBDDPDSSOVAW-BXWFABGCSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982832295 681351165 /nfs/dbraw/zinc/35/11/65/681351165.db2.gz WRGSBQDIEAYGLN-LFGUQSLTSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028604308 681361997 /nfs/dbraw/zinc/36/19/97/681361997.db2.gz UQDOESUGCUQKAB-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028604308 681362002 /nfs/dbraw/zinc/36/20/02/681362002.db2.gz UQDOESUGCUQKAB-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028604308 681362003 /nfs/dbraw/zinc/36/20/03/681362003.db2.gz UQDOESUGCUQKAB-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028604308 681362006 /nfs/dbraw/zinc/36/20/06/681362006.db2.gz UQDOESUGCUQKAB-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028623818 681397657 /nfs/dbraw/zinc/39/76/57/681397657.db2.gz OAUZDSXOTBGKNZ-OAHLLOKOSA-N 2 1 325.884 2.053 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028623818 681397662 /nfs/dbraw/zinc/39/76/62/681397662.db2.gz OAUZDSXOTBGKNZ-OAHLLOKOSA-N 2 1 325.884 2.053 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028802589 682257575 /nfs/dbraw/zinc/25/75/75/682257575.db2.gz QVNOFSMQWLSWFW-GOSISDBHSA-N 2 1 329.488 2.419 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025268443 682360083 /nfs/dbraw/zinc/36/00/83/682360083.db2.gz YXRJAMNPLNAWJI-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025268443 682360087 /nfs/dbraw/zinc/36/00/87/682360087.db2.gz YXRJAMNPLNAWJI-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000975065278 686092666 /nfs/dbraw/zinc/09/26/66/686092666.db2.gz STIWVORDYPPFKA-QGZVFWFLSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000975065278 686092669 /nfs/dbraw/zinc/09/26/69/686092669.db2.gz STIWVORDYPPFKA-QGZVFWFLSA-N 2 1 346.475 2.287 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccsc2)CC1 ZINC000985476955 686984732 /nfs/dbraw/zinc/98/47/32/686984732.db2.gz XHZSWOHLFKBQQT-SFHVURJKSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccsc2)CC1 ZINC000985476955 686984739 /nfs/dbraw/zinc/98/47/39/686984739.db2.gz XHZSWOHLFKBQQT-SFHVURJKSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2ccsc2)CC1 ZINC000985476955 686984745 /nfs/dbraw/zinc/98/47/45/686984745.db2.gz XHZSWOHLFKBQQT-SFHVURJKSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2ccsc2)CC1 ZINC000985476955 686984750 /nfs/dbraw/zinc/98/47/50/686984750.db2.gz XHZSWOHLFKBQQT-SFHVURJKSA-N 2 1 345.512 2.269 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001088413207 1186826428 /nfs/dbraw/zinc/82/64/28/1186826428.db2.gz ALISMKDOICLPCE-CVEARBPZSA-N 2 1 327.900 2.442 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539218 1188160281 /nfs/dbraw/zinc/16/02/81/1188160281.db2.gz BKUWIMREFSPYNI-GUDVDZBRSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105574707 1188188650 /nfs/dbraw/zinc/18/86/50/1188188650.db2.gz FQJNIDASAMESGH-MOPGFXCFSA-N 2 1 345.531 2.493 20 30 EEEDMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272869757 1193585794 /nfs/dbraw/zinc/58/57/94/1193585794.db2.gz BDBGIDUJMJXANV-IBGZPJMESA-N 2 1 334.508 2.335 20 30 EEEDMP C=CCN1C(=O)C[C@]2(CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001273128148 1194411466 /nfs/dbraw/zinc/41/14/66/1194411466.db2.gz PBMCORZYXLIRRP-FQEVSTJZSA-N 2 1 347.503 2.136 20 30 EEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001034734589 1196634303 /nfs/dbraw/zinc/63/43/03/1196634303.db2.gz RVCIEFBVIFLCEL-SHTZXODSSA-N 2 1 332.448 2.087 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC001034792331 1196734862 /nfs/dbraw/zinc/73/48/62/1196734862.db2.gz GKZJMTQWZMBSRX-GUDVDZBRSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[N@@H+](C)CCCNCc1cn2ccc(Br)cc2n1 ZINC000883131252 1202017873 /nfs/dbraw/zinc/01/78/73/1202017873.db2.gz ROIFYXLSAHUPBT-UHFFFAOYSA-N 2 1 335.249 2.142 20 30 EEEDMP C#CCN(C)CCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000883131252 1202017875 /nfs/dbraw/zinc/01/78/75/1202017875.db2.gz ROIFYXLSAHUPBT-UHFFFAOYSA-N 2 1 335.249 2.142 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275357472 1205319299 /nfs/dbraw/zinc/31/92/99/1205319299.db2.gz GPJXTXJESBEMAV-UHFFFAOYSA-N 2 1 330.451 2.157 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275357472 1205319302 /nfs/dbraw/zinc/31/93/02/1205319302.db2.gz GPJXTXJESBEMAV-UHFFFAOYSA-N 2 1 330.451 2.157 20 30 EEEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3Cl)[C@@H]2C1 ZINC001276127256 1205790023 /nfs/dbraw/zinc/79/00/23/1205790023.db2.gz CHDKKMXCOOSWDO-DOTOQJQBSA-N 2 1 332.879 2.279 20 30 EEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cncn1C)C2 ZINC001111274485 1209197084 /nfs/dbraw/zinc/19/70/84/1209197084.db2.gz FDMJCKNRNSFWQQ-NXHRZFHOSA-N 2 1 330.476 2.431 20 30 EEEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948983266 1209488160 /nfs/dbraw/zinc/48/81/60/1209488160.db2.gz XTDCUPUQDVCAOZ-LJQANCHMSA-N 2 1 339.483 2.374 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN(C)c1ccccc1F ZINC000303896094 1213922067 /nfs/dbraw/zinc/92/20/67/1213922067.db2.gz UFCACFXMSKHEAV-HNNXBMFYSA-N 2 1 335.471 2.041 20 30 EEEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000304748334 1216102610 /nfs/dbraw/zinc/10/26/10/1216102610.db2.gz HCPUFJVKIUUXGM-LBPRGKRZSA-N 2 1 340.855 2.044 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC000960345464 1216505333 /nfs/dbraw/zinc/50/53/33/1216505333.db2.gz JISMWBXVZVRFBM-ZGXWSNOMSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC000960345464 1216505337 /nfs/dbraw/zinc/50/53/37/1216505337.db2.gz JISMWBXVZVRFBM-ZGXWSNOMSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC3CCCC3)C[C@H]21 ZINC000960345464 1216505340 /nfs/dbraw/zinc/50/53/40/1216505340.db2.gz JISMWBXVZVRFBM-ZGXWSNOMSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC3CCCC3)C[C@H]21 ZINC000960345464 1216505343 /nfs/dbraw/zinc/50/53/43/1216505343.db2.gz JISMWBXVZVRFBM-ZGXWSNOMSA-N 2 1 343.515 2.101 20 30 EEEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961197839 1217083293 /nfs/dbraw/zinc/08/32/93/1217083293.db2.gz HANPASOXNWMOEV-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230127 1217099287 /nfs/dbraw/zinc/09/92/87/1217099287.db2.gz KLTMRXQSZXMAAK-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230127 1217099289 /nfs/dbraw/zinc/09/92/89/1217099289.db2.gz KLTMRXQSZXMAAK-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230127 1217099292 /nfs/dbraw/zinc/09/92/92/1217099292.db2.gz KLTMRXQSZXMAAK-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CC[N@H+](CCC)C3)C2)CC1 ZINC000961290946 1217131258 /nfs/dbraw/zinc/13/12/58/1217131258.db2.gz FDGUJIDZKFUGCI-WOJBJXKFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373621 1217163073 /nfs/dbraw/zinc/16/30/73/1217163073.db2.gz IGPAJGARYSCTIF-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961386383 1217169247 /nfs/dbraw/zinc/16/92/47/1217169247.db2.gz YTNCLGIGPVQUJC-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961386383 1217169248 /nfs/dbraw/zinc/16/92/48/1217169248.db2.gz YTNCLGIGPVQUJC-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963326919 1217521930 /nfs/dbraw/zinc/52/19/30/1217521930.db2.gz ZSAUSUGOGLDWOP-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007894232 1222488389 /nfs/dbraw/zinc/48/83/89/1222488389.db2.gz HIWDLQHHPJVGOT-MRXNPFEDSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001016820168 1226903629 /nfs/dbraw/zinc/90/36/29/1226903629.db2.gz PDKIZSCMVWYAHK-SJLPKXTDSA-N 2 1 342.487 2.301 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001016828229 1226908722 /nfs/dbraw/zinc/90/87/22/1226908722.db2.gz DWYIWVSSIFEJAK-CABCVRRESA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130424 1230338579 /nfs/dbraw/zinc/33/85/79/1230338579.db2.gz OVOSVPNWSBZJGR-VQTJNVASSA-N 2 1 345.531 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167132 1230390383 /nfs/dbraw/zinc/39/03/83/1230390383.db2.gz MSCDXNYHHANHGF-FQEVSTJZSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039473511 1230637720 /nfs/dbraw/zinc/63/77/20/1230637720.db2.gz PHLWBCBDZOMIQW-UXHICEINSA-N 2 1 339.483 2.450 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063235 1231862300 /nfs/dbraw/zinc/86/23/00/1231862300.db2.gz SUABWCKJRSAPQV-ZWKOTPCHSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001042122450 1231903259 /nfs/dbraw/zinc/90/32/59/1231903259.db2.gz NUSOKBXBYIDZJA-MAUKXSAKSA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001042122450 1231903261 /nfs/dbraw/zinc/90/32/61/1231903261.db2.gz NUSOKBXBYIDZJA-MAUKXSAKSA-N 2 1 346.475 2.239 20 30 EEEDMP C=CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001045673965 1233899544 /nfs/dbraw/zinc/89/95/44/1233899544.db2.gz ZZNSXLJTWCIVEG-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](C)CC)CC1 ZINC001045895203 1234127320 /nfs/dbraw/zinc/12/73/20/1234127320.db2.gz AOIAJDOMKFHDNC-RLLQIKCJSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001045943810 1234203313 /nfs/dbraw/zinc/20/33/13/1234203313.db2.gz PJHOSGLUWMQFIH-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943810 1234203315 /nfs/dbraw/zinc/20/33/15/1234203315.db2.gz PJHOSGLUWMQFIH-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943810 1234203318 /nfs/dbraw/zinc/20/33/18/1234203318.db2.gz PJHOSGLUWMQFIH-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045985253 1234280474 /nfs/dbraw/zinc/28/04/74/1234280474.db2.gz PJBQOSORWQCMOF-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045985253 1234280478 /nfs/dbraw/zinc/28/04/78/1234280478.db2.gz PJBQOSORWQCMOF-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046470553 1234839884 /nfs/dbraw/zinc/83/98/84/1234839884.db2.gz LNTDJTVHANKVFM-IBGZPJMESA-N 2 1 339.443 2.428 20 30 EEEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046731158 1235123581 /nfs/dbraw/zinc/12/35/81/1235123581.db2.gz IKISCPKCAVKDSZ-SFHVURJKSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046731158 1235123583 /nfs/dbraw/zinc/12/35/83/1235123583.db2.gz IKISCPKCAVKDSZ-SFHVURJKSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864488 1235262049 /nfs/dbraw/zinc/26/20/49/1235262049.db2.gz VGIZWESHUICOLH-IBGZPJMESA-N 2 1 331.460 2.339 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001046994743 1235407472 /nfs/dbraw/zinc/40/74/72/1235407472.db2.gz LSBGMRJYJNSSGW-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001046994743 1235407475 /nfs/dbraw/zinc/40/74/75/1235407475.db2.gz LSBGMRJYJNSSGW-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001046994743 1235407476 /nfs/dbraw/zinc/40/74/76/1235407476.db2.gz LSBGMRJYJNSSGW-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249148 1236635512 /nfs/dbraw/zinc/63/55/12/1236635512.db2.gz NTDHVZYTEMEQCT-SQNIBIBYSA-N 2 1 337.427 2.179 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249148 1236635517 /nfs/dbraw/zinc/63/55/17/1236635517.db2.gz NTDHVZYTEMEQCT-SQNIBIBYSA-N 2 1 337.427 2.179 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107417 1240018291 /nfs/dbraw/zinc/01/82/91/1240018291.db2.gz ISEIGRYOWJZRHR-ZSYWTGECSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107417 1240018295 /nfs/dbraw/zinc/01/82/95/1240018295.db2.gz ISEIGRYOWJZRHR-ZSYWTGECSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107417 1240018300 /nfs/dbraw/zinc/01/83/00/1240018300.db2.gz ISEIGRYOWJZRHR-ZSYWTGECSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)c3cc(C[NH+](C)C)on3)CC2)CC1 ZINC001000196898 1240052438 /nfs/dbraw/zinc/05/24/38/1240052438.db2.gz ROERFTUIHKHZFW-UHFFFAOYSA-N 2 1 346.475 2.287 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001000684597 1240728345 /nfs/dbraw/zinc/72/83/45/1240728345.db2.gz CLOROFXXKDKAER-IBGZPJMESA-N 2 1 343.515 2.413 20 30 EEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001000684597 1240728352 /nfs/dbraw/zinc/72/83/52/1240728352.db2.gz CLOROFXXKDKAER-IBGZPJMESA-N 2 1 343.515 2.413 20 30 EEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001000684597 1240728360 /nfs/dbraw/zinc/72/83/60/1240728360.db2.gz CLOROFXXKDKAER-IBGZPJMESA-N 2 1 343.515 2.413 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049600335 1241601751 /nfs/dbraw/zinc/60/17/51/1241601751.db2.gz ZVUILLWJOMLLSK-RBUKOAKNSA-N 2 1 342.487 2.403 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049600335 1241601757 /nfs/dbraw/zinc/60/17/57/1241601757.db2.gz ZVUILLWJOMLLSK-RBUKOAKNSA-N 2 1 342.487 2.403 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCC(=C)C)CC1 ZINC001049909355 1242655782 /nfs/dbraw/zinc/65/57/82/1242655782.db2.gz AHDSYULJNQZMFQ-WOJBJXKFSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](C/C=C/Cl)C[C@H]32)CC1 ZINC001050208940 1243124661 /nfs/dbraw/zinc/12/46/61/1243124661.db2.gz WQXCKPSLPQHSDH-SDNFCERYSA-N 2 1 349.906 2.007 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555858 1244356665 /nfs/dbraw/zinc/35/66/65/1244356665.db2.gz ZXYRSSNOMOUODX-KYJSFNMBSA-N 2 1 328.460 2.060 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555858 1244356674 /nfs/dbraw/zinc/35/66/74/1244356674.db2.gz ZXYRSSNOMOUODX-KYJSFNMBSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101270850 1245596769 /nfs/dbraw/zinc/59/67/69/1245596769.db2.gz ZRKUFYOVCDUCPE-HBFSDRIKSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101270850 1245596774 /nfs/dbraw/zinc/59/67/74/1245596774.db2.gz ZRKUFYOVCDUCPE-HBFSDRIKSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCCCF)C[C@@]2(C)C1 ZINC001101270850 1245596778 /nfs/dbraw/zinc/59/67/78/1245596778.db2.gz ZRKUFYOVCDUCPE-HBFSDRIKSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCCCF)C[C@@]2(C)C1 ZINC001101270850 1245596785 /nfs/dbraw/zinc/59/67/85/1245596785.db2.gz ZRKUFYOVCDUCPE-HBFSDRIKSA-N 2 1 349.494 2.004 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101367030 1245722053 /nfs/dbraw/zinc/72/20/53/1245722053.db2.gz ZYLHJVZLOHHGPY-CTNGQTDRSA-N 2 1 341.499 2.127 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101367030 1245722060 /nfs/dbraw/zinc/72/20/60/1245722060.db2.gz ZYLHJVZLOHHGPY-CTNGQTDRSA-N 2 1 341.499 2.127 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101367030 1245722068 /nfs/dbraw/zinc/72/20/68/1245722068.db2.gz ZYLHJVZLOHHGPY-CTNGQTDRSA-N 2 1 341.499 2.127 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099893 1245904907 /nfs/dbraw/zinc/90/49/07/1245904907.db2.gz BYZSIPHYXWBZGP-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001101582238 1245990211 /nfs/dbraw/zinc/99/02/11/1245990211.db2.gz FQBZVXQPQOJIEP-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054147387 1247524174 /nfs/dbraw/zinc/52/41/74/1247524174.db2.gz PTPXJOCQLSEEFL-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054147387 1247524178 /nfs/dbraw/zinc/52/41/78/1247524178.db2.gz PTPXJOCQLSEEFL-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001054147387 1247524184 /nfs/dbraw/zinc/52/41/84/1247524184.db2.gz PTPXJOCQLSEEFL-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001054147387 1247524190 /nfs/dbraw/zinc/52/41/90/1247524190.db2.gz PTPXJOCQLSEEFL-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054164589 1247580407 /nfs/dbraw/zinc/58/04/07/1247580407.db2.gz NGOIZKGVRKGUQO-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054164589 1247580411 /nfs/dbraw/zinc/58/04/11/1247580411.db2.gz NGOIZKGVRKGUQO-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054245531 1247860438 /nfs/dbraw/zinc/86/04/38/1247860438.db2.gz VDWRXNJZNQVTMR-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245531 1247860444 /nfs/dbraw/zinc/86/04/44/1247860444.db2.gz VDWRXNJZNQVTMR-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245531 1247860454 /nfs/dbraw/zinc/86/04/54/1247860454.db2.gz VDWRXNJZNQVTMR-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001491119435 1258715899 /nfs/dbraw/zinc/71/58/99/1258715899.db2.gz FAQASSNDNSMKLM-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001101039695 1259603679 /nfs/dbraw/zinc/60/36/79/1259603679.db2.gz YUWYTGJEAXDACZ-UHFFFAOYSA-N 2 1 346.450 2.022 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801408 1280520216 /nfs/dbraw/zinc/52/02/16/1280520216.db2.gz FIOUVCTWUHSIEY-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001192385391 1281960543 /nfs/dbraw/zinc/96/05/43/1281960543.db2.gz GXJAVUHJEVRELH-OALUTQOASA-N 2 1 345.462 2.050 20 30 EEEDMP C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000852099101 1291991687 /nfs/dbraw/zinc/99/16/87/1291991687.db2.gz DQYHCOAPXZGVGV-NRFANRHFSA-N 2 1 341.499 2.421 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC001220984984 1298610351 /nfs/dbraw/zinc/61/03/51/1298610351.db2.gz UFHCGVUQHOWQMJ-OALUTQOASA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC001220984984 1298610357 /nfs/dbraw/zinc/61/03/57/1298610357.db2.gz UFHCGVUQHOWQMJ-OALUTQOASA-N 2 1 348.535 2.284 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099548753 1299210131 /nfs/dbraw/zinc/21/01/31/1299210131.db2.gz ZYYCBLLVRJIWBI-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548753 1299210141 /nfs/dbraw/zinc/21/01/41/1299210141.db2.gz ZYYCBLLVRJIWBI-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548753 1299210151 /nfs/dbraw/zinc/21/01/51/1299210151.db2.gz ZYYCBLLVRJIWBI-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+]1CCCC1 ZINC001099555685 1299217240 /nfs/dbraw/zinc/21/72/40/1299217240.db2.gz BROCSMXZJQVDOR-HAGHYFMRSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CCOCC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001224855307 1300759702 /nfs/dbraw/zinc/75/97/02/1300759702.db2.gz MDYJMIKXEOPQLY-UHFFFAOYSA-N 2 1 348.491 2.003 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001230101144 1303058110 /nfs/dbraw/zinc/05/81/10/1303058110.db2.gz AJKMNSCTEOXELV-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001230101144 1303058117 /nfs/dbraw/zinc/05/81/17/1303058117.db2.gz AJKMNSCTEOXELV-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CC[NH+](CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)Cc1cccnc1 ZINC001230846433 1303496969 /nfs/dbraw/zinc/49/69/69/1303496969.db2.gz JFNFHNGSZBGDJM-UHFFFAOYSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)C[NH+]1CCC(C)(C)C1)Cc1cccnc1 ZINC001230846433 1303496974 /nfs/dbraw/zinc/49/69/74/1303496974.db2.gz JFNFHNGSZBGDJM-UHFFFAOYSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)(C)C1)Cc1cccnc1 ZINC001230846433 1303496980 /nfs/dbraw/zinc/49/69/80/1303496980.db2.gz JFNFHNGSZBGDJM-UHFFFAOYSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCCC[N@H+]1CCc2nc(C(=O)NC3CC[NH+](C)CC3)ccc2C1 ZINC001277779992 1304397478 /nfs/dbraw/zinc/39/74/78/1304397478.db2.gz YHRPXEOBUFJFMP-UHFFFAOYSA-N 2 1 342.487 2.230 20 30 EEEDMP C=CCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)cc1 ZINC001236039525 1305483491 /nfs/dbraw/zinc/48/34/91/1305483491.db2.gz XDXJAGNCSBZZJX-YLJYHZDGSA-N 2 1 344.455 2.226 20 30 EEEDMP C=CCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)cc1 ZINC001236039525 1305483500 /nfs/dbraw/zinc/48/35/00/1305483500.db2.gz XDXJAGNCSBZZJX-YLJYHZDGSA-N 2 1 344.455 2.226 20 30 EEEDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(C#Cc2ccccc2)s1 ZINC001236083511 1305498320 /nfs/dbraw/zinc/49/83/20/1305498320.db2.gz SLLTVMLQDBQPJM-UHFFFAOYSA-N 2 1 339.508 2.485 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001246302254 1310276265 /nfs/dbraw/zinc/27/62/65/1310276265.db2.gz CAQJCSCNQBNEJK-QAPCUYQASA-N 2 1 329.444 2.306 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC001246307688 1310277879 /nfs/dbraw/zinc/27/78/79/1310277879.db2.gz NLUVPSKQOWBSHZ-WMZOPIPTSA-N 2 1 346.471 2.369 20 30 EEEDMP C=CCC[C@H]([NH3+])c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC001247622028 1310651634 /nfs/dbraw/zinc/65/16/34/1310651634.db2.gz CUVGIAACXMZMAG-HNNXBMFYSA-N 2 1 327.432 2.454 20 30 EEEDMP C#CCOc1ccc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)cc1 ZINC001138559389 1314630543 /nfs/dbraw/zinc/63/05/43/1314630543.db2.gz STZXTGCPQSGTAG-UHFFFAOYSA-N 2 1 332.444 2.015 20 30 EEEDMP C#CCOc1ccc(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)cc1 ZINC001138559389 1314630547 /nfs/dbraw/zinc/63/05/47/1314630547.db2.gz STZXTGCPQSGTAG-UHFFFAOYSA-N 2 1 332.444 2.015 20 30 EEEDMP C=CCn1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cn1 ZINC001139769926 1314768558 /nfs/dbraw/zinc/76/85/58/1314768558.db2.gz VSAIJZIGPSZUMZ-UXHICEINSA-N 2 1 337.471 2.418 20 30 EEEDMP C=CCn1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cn1 ZINC001139769926 1314768559 /nfs/dbraw/zinc/76/85/59/1314768559.db2.gz VSAIJZIGPSZUMZ-UXHICEINSA-N 2 1 337.471 2.418 20 30 EEEDMP C=CCn1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cn1 ZINC001139769926 1314768562 /nfs/dbraw/zinc/76/85/62/1314768562.db2.gz VSAIJZIGPSZUMZ-UXHICEINSA-N 2 1 337.471 2.418 20 30 EEEDMP C=CCn1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cn1 ZINC001139769926 1314768565 /nfs/dbraw/zinc/76/85/65/1314768565.db2.gz VSAIJZIGPSZUMZ-UXHICEINSA-N 2 1 337.471 2.418 20 30 EEEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203103623 1315055363 /nfs/dbraw/zinc/05/53/63/1315055363.db2.gz LWMFCNDXRLUONZ-DLBZAZTESA-N 2 1 331.504 2.290 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150023959 1316130157 /nfs/dbraw/zinc/13/01/57/1316130157.db2.gz ZZKZGDKUTOVFAL-RTBURBONSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150626095 1316320758 /nfs/dbraw/zinc/32/07/58/1316320758.db2.gz SPHXZSRLCHAKHB-ZWKOTPCHSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626095 1316320762 /nfs/dbraw/zinc/32/07/62/1316320762.db2.gz SPHXZSRLCHAKHB-ZWKOTPCHSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626095 1316320767 /nfs/dbraw/zinc/32/07/67/1316320767.db2.gz SPHXZSRLCHAKHB-ZWKOTPCHSA-N 2 1 339.524 2.280 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC001158403381 1319221351 /nfs/dbraw/zinc/22/13/51/1319221351.db2.gz HSJXETLSCGIIMG-ZWKOTPCHSA-N 2 1 346.450 2.024 20 30 EEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001158472918 1319259194 /nfs/dbraw/zinc/25/91/94/1319259194.db2.gz GLFVOGXNNLCUCE-GDBMZVCRSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001158472918 1319259201 /nfs/dbraw/zinc/25/92/01/1319259201.db2.gz GLFVOGXNNLCUCE-GDBMZVCRSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158472918 1319259209 /nfs/dbraw/zinc/25/92/09/1319259209.db2.gz GLFVOGXNNLCUCE-GDBMZVCRSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158472918 1319259213 /nfs/dbraw/zinc/25/92/13/1319259213.db2.gz GLFVOGXNNLCUCE-GDBMZVCRSA-N 2 1 327.900 2.394 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787226 1320268326 /nfs/dbraw/zinc/26/83/26/1320268326.db2.gz KPEYTTDOVMCMBQ-LJQANCHMSA-N 2 1 329.488 2.023 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)(COC)CC1 ZINC001162320141 1320819877 /nfs/dbraw/zinc/81/98/77/1320819877.db2.gz HWRRYDTVBYPOII-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC/C=C/CC)CC1 ZINC001165545096 1321543157 /nfs/dbraw/zinc/54/31/57/1321543157.db2.gz CDFLWLDODVSWTM-QWNKOJSDSA-N 2 1 331.504 2.316 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC/C=C/CC)CC1 ZINC001165545096 1321543162 /nfs/dbraw/zinc/54/31/62/1321543162.db2.gz CDFLWLDODVSWTM-QWNKOJSDSA-N 2 1 331.504 2.316 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C12CCC2 ZINC001203492682 1321895191 /nfs/dbraw/zinc/89/51/91/1321895191.db2.gz NJOQOAGNZZZNJG-QZTJIDSGSA-N 2 1 349.519 2.082 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206948082 1323733628 /nfs/dbraw/zinc/73/36/28/1323733628.db2.gz UIXWKNLCXOQXTO-GASCZTMLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209642144 1324997597 /nfs/dbraw/zinc/99/75/97/1324997597.db2.gz MLUXNVBLWLWLHP-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP N#Cc1ccnc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276686466 1325326858 /nfs/dbraw/zinc/32/68/58/1325326858.db2.gz DPJBMPFEELPFSC-HDICACEKSA-N 2 1 336.443 2.020 20 30 EEEDMP N#Cc1ccnc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276686466 1325326873 /nfs/dbraw/zinc/32/68/73/1325326873.db2.gz DPJBMPFEELPFSC-HDICACEKSA-N 2 1 336.443 2.020 20 30 EEEDMP N#Cc1ccnc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276686466 1325326877 /nfs/dbraw/zinc/32/68/77/1325326877.db2.gz DPJBMPFEELPFSC-HDICACEKSA-N 2 1 336.443 2.020 20 30 EEEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001308055644 1331561908 /nfs/dbraw/zinc/56/19/08/1331561908.db2.gz BWHKZAUCEHQXSI-SBHAEUEKSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001308055644 1331561911 /nfs/dbraw/zinc/56/19/11/1331561911.db2.gz BWHKZAUCEHQXSI-SBHAEUEKSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001308055644 1331561915 /nfs/dbraw/zinc/56/19/15/1331561915.db2.gz BWHKZAUCEHQXSI-SBHAEUEKSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001308055644 1331561919 /nfs/dbraw/zinc/56/19/19/1331561919.db2.gz BWHKZAUCEHQXSI-SBHAEUEKSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001574925002 1343712589 /nfs/dbraw/zinc/71/25/89/1343712589.db2.gz FATVYYNHIFIUGR-IRXDYDNUSA-N 2 1 344.507 2.342 20 30 EEEDMP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC001580069578 1344462815 /nfs/dbraw/zinc/46/28/15/1344462815.db2.gz DIKULRBJHSWCBH-HUUCEWRRSA-N 2 1 346.862 2.472 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001366181688 1373820912 /nfs/dbraw/zinc/82/09/12/1373820912.db2.gz RGCSYXBTCGQQDK-OALUTQOASA-N 2 1 342.487 2.227 20 30 EEEDMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001370525164 1374973744 /nfs/dbraw/zinc/97/37/44/1374973744.db2.gz XHTSZGKZECETDV-IYARVYRRSA-N 2 1 342.487 2.273 20 30 EEEDMP C[C@@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)CC1CC[NH+](C)CC1 ZINC001375113826 1377381841 /nfs/dbraw/zinc/38/18/41/1377381841.db2.gz NRMBDFJQOJJFAX-INIZCTEOSA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)CC1CC[NH+](C)CC1 ZINC001375113826 1377381845 /nfs/dbraw/zinc/38/18/45/1377381845.db2.gz NRMBDFJQOJJFAX-INIZCTEOSA-N 2 1 342.487 2.227 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001391310574 1389237607 /nfs/dbraw/zinc/23/76/07/1389237607.db2.gz GNWNSXHMAHDVDT-WMLDXEAASA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001391310574 1389237616 /nfs/dbraw/zinc/23/76/16/1389237616.db2.gz GNWNSXHMAHDVDT-WMLDXEAASA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001391310574 1389237623 /nfs/dbraw/zinc/23/76/23/1389237623.db2.gz GNWNSXHMAHDVDT-WMLDXEAASA-N 2 1 346.500 2.042 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001393039535 1390290166 /nfs/dbraw/zinc/29/01/66/1390290166.db2.gz QSFIEPDGSDGCNZ-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001393564443 1390474080 /nfs/dbraw/zinc/47/40/80/1390474080.db2.gz WZOFBPULJHTTLO-UHFFFAOYSA-N 2 1 328.460 2.029 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC/C=C/c1ccccc1 ZINC001753052203 1406641097 /nfs/dbraw/zinc/64/10/97/1406641097.db2.gz WFRWUWOWCATAGY-BESKYLIDSA-N 2 1 339.483 2.236 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC/C=C/c1ccccc1 ZINC001753052203 1406641101 /nfs/dbraw/zinc/64/11/01/1406641101.db2.gz WFRWUWOWCATAGY-BESKYLIDSA-N 2 1 339.483 2.236 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC/C=C/c1ccccc1 ZINC001753052203 1406641108 /nfs/dbraw/zinc/64/11/08/1406641108.db2.gz WFRWUWOWCATAGY-BESKYLIDSA-N 2 1 339.483 2.236 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC/C=C/c1ccccc1 ZINC001753052203 1406641115 /nfs/dbraw/zinc/64/11/15/1406641115.db2.gz WFRWUWOWCATAGY-BESKYLIDSA-N 2 1 339.483 2.236 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001398689826 1394152077 /nfs/dbraw/zinc/15/20/77/1394152077.db2.gz HIJQVURTEAXDFV-MRXNPFEDSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001398689826 1394152081 /nfs/dbraw/zinc/15/20/81/1394152081.db2.gz HIJQVURTEAXDFV-MRXNPFEDSA-N 2 1 327.900 2.299 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(F)c(C#N)c1 ZINC001492877994 1394346615 /nfs/dbraw/zinc/34/66/15/1394346615.db2.gz FLIAXPPJAYZKLP-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001492877994 1394346629 /nfs/dbraw/zinc/34/66/29/1394346629.db2.gz FLIAXPPJAYZKLP-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001492877994 1394346642 /nfs/dbraw/zinc/34/66/42/1394346642.db2.gz FLIAXPPJAYZKLP-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2C#N)C1 ZINC001402168221 1397812466 /nfs/dbraw/zinc/81/24/66/1397812466.db2.gz DUHRFSOWHKZMIF-HXUWFJFHSA-N 2 1 342.487 2.228 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001754945191 1407006107 /nfs/dbraw/zinc/00/61/07/1407006107.db2.gz SNHODPOMMDHRQF-QGZVFWFLSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001755770234 1407830914 /nfs/dbraw/zinc/83/09/14/1407830914.db2.gz QJZDZDCXZFVODB-KGLIPLIRSA-N 2 1 335.414 2.129 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001115107552 1410971671 /nfs/dbraw/zinc/97/16/71/1410971671.db2.gz DOGYRVJCNKWYFW-XFKSJGNHSA-N 2 1 327.472 2.086 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C/C=C\Cl)[C@@H]2CC)CC1 ZINC001087839146 782348940 /nfs/dbraw/zinc/34/89/40/782348940.db2.gz NKAXXRJEOPFWDG-APDXYKNESA-N 2 1 337.895 2.053 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001168030985 782423727 /nfs/dbraw/zinc/42/37/27/782423727.db2.gz WMDKGAGLXJYXAU-RTBURBONSA-N 2 1 340.471 2.171 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001167639708 760804106 /nfs/dbraw/zinc/80/41/06/760804106.db2.gz DWBYGQBEQNSSNH-UHFFFAOYSA-N 2 1 342.487 2.276 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@H+]1C)C[C@H](C)O2 ZINC001098609446 765423306 /nfs/dbraw/zinc/42/33/06/765423306.db2.gz BUOADQLMFSWFBM-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908125 765546672 /nfs/dbraw/zinc/54/66/72/765546672.db2.gz KIFDXZORTRZQNB-FVQBIDKESA-N 2 1 327.900 2.155 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980212184 774103213 /nfs/dbraw/zinc/10/32/13/774103213.db2.gz IGEBEGLMKULNAT-XHSDSOJGSA-N 2 1 328.460 2.164 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089686731 774320097 /nfs/dbraw/zinc/32/00/97/774320097.db2.gz XJLXFQBMIJOETF-BZSNNMDCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686731 774320101 /nfs/dbraw/zinc/32/01/01/774320101.db2.gz XJLXFQBMIJOETF-BZSNNMDCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686731 774320105 /nfs/dbraw/zinc/32/01/05/774320105.db2.gz XJLXFQBMIJOETF-BZSNNMDCSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCc3sccc3C2)C1 ZINC000980464546 774664325 /nfs/dbraw/zinc/66/43/25/774664325.db2.gz COBMUGSENHIDBP-MRXNPFEDSA-N 2 1 333.501 2.215 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779829 783199797 /nfs/dbraw/zinc/19/97/97/783199797.db2.gz UEESGTLOFVWFPS-YESZJQIVSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779829 783199802 /nfs/dbraw/zinc/19/98/02/783199802.db2.gz UEESGTLOFVWFPS-YESZJQIVSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779829 783199810 /nfs/dbraw/zinc/19/98/10/783199810.db2.gz UEESGTLOFVWFPS-YESZJQIVSA-N 2 1 339.911 2.394 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865426 778420358 /nfs/dbraw/zinc/42/03/58/778420358.db2.gz RMWRWARMODNRIC-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000981967749 778712958 /nfs/dbraw/zinc/71/29/58/778712958.db2.gz IUJIPQZAGCFOLL-UHFFFAOYSA-N 2 1 331.460 2.455 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000981967749 778712964 /nfs/dbraw/zinc/71/29/64/778712964.db2.gz IUJIPQZAGCFOLL-UHFFFAOYSA-N 2 1 331.460 2.455 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105395773 781889120 /nfs/dbraw/zinc/88/91/20/781889120.db2.gz FGYKIJXTUMWIEL-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CC2 ZINC001035220146 784096394 /nfs/dbraw/zinc/09/63/94/784096394.db2.gz LWLYRUZSHSADMS-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CC2 ZINC001035220146 784096397 /nfs/dbraw/zinc/09/63/97/784096397.db2.gz LWLYRUZSHSADMS-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035225865 784110488 /nfs/dbraw/zinc/11/04/88/784110488.db2.gz BKKPFCGONZDOAY-GOEBONIOSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035225865 784110492 /nfs/dbraw/zinc/11/04/92/784110492.db2.gz BKKPFCGONZDOAY-GOEBONIOSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035225865 784110494 /nfs/dbraw/zinc/11/04/94/784110494.db2.gz BKKPFCGONZDOAY-GOEBONIOSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001086803760 784736978 /nfs/dbraw/zinc/73/69/78/784736978.db2.gz YHDRKEWZJDHGRV-JKSUJKDBSA-N 2 1 346.475 2.335 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135979028 784903682 /nfs/dbraw/zinc/90/36/82/784903682.db2.gz AYMYYLWGHCWHPK-HOTGVXAUSA-N 2 1 330.476 2.273 20 30 EEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997276046 789518456 /nfs/dbraw/zinc/51/84/56/789518456.db2.gz FKWWRBBJIADKTC-RHSMWYFYSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001006084624 789559365 /nfs/dbraw/zinc/55/93/65/789559365.db2.gz RQNLAUBJTSJDLL-UHFFFAOYSA-N 2 1 327.900 2.394 20 30 EEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520460 789711717 /nfs/dbraw/zinc/71/17/17/789711717.db2.gz ZXHUMQXRMSQOBS-HRCADAONSA-N 2 1 333.501 2.193 20 30 EEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520460 789711724 /nfs/dbraw/zinc/71/17/24/789711724.db2.gz ZXHUMQXRMSQOBS-HRCADAONSA-N 2 1 333.501 2.193 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001091100378 789804437 /nfs/dbraw/zinc/80/44/37/789804437.db2.gz RHLJWRSKOKKCMX-KVULBXGLSA-N 2 1 346.500 2.088 20 30 EEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000997809489 791176955 /nfs/dbraw/zinc/17/69/55/791176955.db2.gz JDAMOUZIFVNNGY-HNNXBMFYSA-N 2 1 339.443 2.284 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001146591876 791360531 /nfs/dbraw/zinc/36/05/31/791360531.db2.gz HUYVDUFIHHVQFH-IAGOWNOFSA-N 2 1 347.478 2.390 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001147780394 791952655 /nfs/dbraw/zinc/95/26/55/791952655.db2.gz KKKBUJJHAVGFCM-UHFFFAOYSA-N 2 1 331.504 2.363 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001148570566 792514912 /nfs/dbraw/zinc/51/49/12/792514912.db2.gz HCHHJPSKNYVKMD-UHFFFAOYSA-N 2 1 335.879 2.129 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629341 792586270 /nfs/dbraw/zinc/58/62/70/792586270.db2.gz AXFVUAWHMALABF-OALUTQOASA-N 2 1 327.472 2.266 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC000999362521 794362254 /nfs/dbraw/zinc/36/22/54/794362254.db2.gz BGAHLGVBZFIAPB-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079149783 794380408 /nfs/dbraw/zinc/38/04/08/794380408.db2.gz LDBINFZFPHHBCQ-OTWHNJEPSA-N 2 1 345.462 2.380 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092919424 794437171 /nfs/dbraw/zinc/43/71/71/794437171.db2.gz OAMQBIDREVGBMF-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092919424 794437184 /nfs/dbraw/zinc/43/71/84/794437184.db2.gz OAMQBIDREVGBMF-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@@H+]1C)CCO2 ZINC001093400333 795178684 /nfs/dbraw/zinc/17/86/84/795178684.db2.gz RKWQHROJLFGVNA-QPIRBTGLSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106250058 795290538 /nfs/dbraw/zinc/29/05/38/795290538.db2.gz XKYISKJJYPJYFX-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574587 795863013 /nfs/dbraw/zinc/86/30/13/795863013.db2.gz KZPQIMWINZZFJP-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094457255 796267366 /nfs/dbraw/zinc/26/73/66/796267366.db2.gz ZHVPGVKETVRGRZ-QWFCFKBJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094457255 796267372 /nfs/dbraw/zinc/26/73/72/796267372.db2.gz ZHVPGVKETVRGRZ-QWFCFKBJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094457255 796267375 /nfs/dbraw/zinc/26/73/75/796267375.db2.gz ZHVPGVKETVRGRZ-QWFCFKBJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585090 796468001 /nfs/dbraw/zinc/46/80/01/796468001.db2.gz MXOGYQSSLGZRSP-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585090 796468002 /nfs/dbraw/zinc/46/80/02/796468002.db2.gz MXOGYQSSLGZRSP-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585090 796468005 /nfs/dbraw/zinc/46/80/05/796468005.db2.gz MXOGYQSSLGZRSP-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993579333 796806667 /nfs/dbraw/zinc/80/66/67/796806667.db2.gz SFCQUTUQNUOBOC-DOTOQJQBSA-N 2 1 339.443 2.426 20 30 EEEDMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172972066 797176375 /nfs/dbraw/zinc/17/63/75/797176375.db2.gz WAZQFVXNRAZJAS-JYJNAYRXSA-N 2 1 336.480 2.209 20 30 EEEDMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172972070 797176458 /nfs/dbraw/zinc/17/64/58/797176458.db2.gz WAZQFVXNRAZJAS-XHSDSOJGSA-N 2 1 336.480 2.209 20 30 EEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175297362 798052320 /nfs/dbraw/zinc/05/23/20/798052320.db2.gz VODURPOZJLGAIC-IBGZPJMESA-N 2 1 343.515 2.449 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994478930 798072763 /nfs/dbraw/zinc/07/27/63/798072763.db2.gz WEWZJLJOENJEOJ-RDJZCZTQSA-N 2 1 331.460 2.337 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994478930 798072768 /nfs/dbraw/zinc/07/27/68/798072768.db2.gz WEWZJLJOENJEOJ-RDJZCZTQSA-N 2 1 331.460 2.337 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663091 798355030 /nfs/dbraw/zinc/35/50/30/798355030.db2.gz LSRQHZXMDDGCEQ-GPMSIDNRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663091 798355034 /nfs/dbraw/zinc/35/50/34/798355034.db2.gz LSRQHZXMDDGCEQ-GPMSIDNRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663091 798355042 /nfs/dbraw/zinc/35/50/42/798355042.db2.gz LSRQHZXMDDGCEQ-GPMSIDNRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723390 798403651 /nfs/dbraw/zinc/40/36/51/798403651.db2.gz FTRXOOBEEZUHTI-RTBURBONSA-N 2 1 327.472 2.471 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941606 798567784 /nfs/dbraw/zinc/56/77/84/798567784.db2.gz SKCUSXXGRARBCK-ZACQAIPSSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941606 798567789 /nfs/dbraw/zinc/56/77/89/798567789.db2.gz SKCUSXXGRARBCK-ZACQAIPSSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)CN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002803286 798624394 /nfs/dbraw/zinc/62/43/94/798624394.db2.gz UPCVVBQYAOVPCF-GDBMZVCRSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002803286 798624395 /nfs/dbraw/zinc/62/43/95/798624395.db2.gz UPCVVBQYAOVPCF-GDBMZVCRSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002803286 798624397 /nfs/dbraw/zinc/62/43/97/798624397.db2.gz UPCVVBQYAOVPCF-GDBMZVCRSA-N 2 1 325.884 2.194 20 30 EEEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261948806 799679283 /nfs/dbraw/zinc/67/92/83/799679283.db2.gz GRSIKDARQPFUQU-WMZOPIPTSA-N 2 1 346.523 2.216 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001179538374 799982746 /nfs/dbraw/zinc/98/27/46/799982746.db2.gz BFVQHBZTORZXNC-RDJZCZTQSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001085608216 800894137 /nfs/dbraw/zinc/89/41/37/800894137.db2.gz LSOZXZFETQCHPK-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001085608216 800894141 /nfs/dbraw/zinc/89/41/41/800894141.db2.gz LSOZXZFETQCHPK-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001085608216 800894146 /nfs/dbraw/zinc/89/41/46/800894146.db2.gz LSOZXZFETQCHPK-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001085608216 800894154 /nfs/dbraw/zinc/89/41/54/800894154.db2.gz LSOZXZFETQCHPK-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001085608216 800894165 /nfs/dbraw/zinc/89/41/65/800894165.db2.gz LSOZXZFETQCHPK-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108206631 801117734 /nfs/dbraw/zinc/11/77/34/801117734.db2.gz HILKIIOGZJYVTK-HKUYNNGSSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832810 801380996 /nfs/dbraw/zinc/38/09/96/801380996.db2.gz RPCOPGHTIIBGEZ-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085832810 801381004 /nfs/dbraw/zinc/38/10/04/801381004.db2.gz RPCOPGHTIIBGEZ-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832810 801381012 /nfs/dbraw/zinc/38/10/12/801381012.db2.gz RPCOPGHTIIBGEZ-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595404 801715775 /nfs/dbraw/zinc/71/57/75/801715775.db2.gz XQAHUGVJQAJUTM-AKHDSKFASA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595404 801715781 /nfs/dbraw/zinc/71/57/81/801715781.db2.gz XQAHUGVJQAJUTM-AKHDSKFASA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595404 801715787 /nfs/dbraw/zinc/71/57/87/801715787.db2.gz XQAHUGVJQAJUTM-AKHDSKFASA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086085487 802106164 /nfs/dbraw/zinc/10/61/64/802106164.db2.gz HNACMYFOXFNTIT-WCVJEAGWSA-N 2 1 325.884 2.098 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004521062 802281807 /nfs/dbraw/zinc/28/18/07/802281807.db2.gz FKMXBJOXNNVQGM-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004566002 802381497 /nfs/dbraw/zinc/38/14/97/802381497.db2.gz BLGFFAJHHHCPFD-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185234888 802435866 /nfs/dbraw/zinc/43/58/66/802435866.db2.gz JOUIHSRZBPOMSG-ROUUACIJSA-N 2 1 344.503 2.494 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001086399740 802896465 /nfs/dbraw/zinc/89/64/65/802896465.db2.gz KPGCEONHOMRXFX-KLHDSHLOSA-N 2 1 325.884 2.240 20 30 EEEDMP CC(=O)N1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527591 803825711 /nfs/dbraw/zinc/82/57/11/803825711.db2.gz XICTWEGQPGGMMW-VAMGGRTRSA-N 2 1 340.471 2.251 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001130711095 811959849 /nfs/dbraw/zinc/95/98/49/811959849.db2.gz NDZQPHFLCHCCJQ-GOSISDBHSA-N 2 1 346.450 2.024 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC001449023672 1094030714 /nfs/dbraw/zinc/03/07/14/1094030714.db2.gz WRKQLHXJRSVSNE-WMLDXEAASA-N 2 1 346.450 2.118 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444310473 1098868963 /nfs/dbraw/zinc/86/89/63/1098868963.db2.gz PXTJRQPWPJPYES-QFBILLFUSA-N 2 1 342.487 2.275 20 30 EEEDMP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001497254940 1102200625 /nfs/dbraw/zinc/20/06/25/1102200625.db2.gz WMYQZEJMQZQHSG-QAPCUYQASA-N 2 1 328.460 2.027 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001447341710 1102483517 /nfs/dbraw/zinc/48/35/17/1102483517.db2.gz GWVWRODDCWYZDK-VQIMIIECSA-N 2 1 342.487 2.179 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC001447341710 1102483525 /nfs/dbraw/zinc/48/35/25/1102483525.db2.gz GWVWRODDCWYZDK-VQIMIIECSA-N 2 1 342.487 2.179 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC001447341710 1102483533 /nfs/dbraw/zinc/48/35/33/1102483533.db2.gz GWVWRODDCWYZDK-VQIMIIECSA-N 2 1 342.487 2.179 20 30 EEEDMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1cc(C#N)ccc1F ZINC001448048418 1103893155 /nfs/dbraw/zinc/89/31/55/1103893155.db2.gz WVDYNZBTKFVLDN-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1cc(C#N)ccc1F ZINC001448048418 1103893168 /nfs/dbraw/zinc/89/31/68/1103893168.db2.gz WVDYNZBTKFVLDN-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC001448048418 1103893179 /nfs/dbraw/zinc/89/31/79/1103893179.db2.gz WVDYNZBTKFVLDN-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001448048418 1103893184 /nfs/dbraw/zinc/89/31/84/1103893184.db2.gz WVDYNZBTKFVLDN-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1C#N ZINC001448099463 1104000504 /nfs/dbraw/zinc/00/05/04/1104000504.db2.gz JRYRHVIYCLEHPH-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1C#N ZINC001448099463 1104000515 /nfs/dbraw/zinc/00/05/15/1104000515.db2.gz JRYRHVIYCLEHPH-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@@H](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001503263260 1113882869 /nfs/dbraw/zinc/88/28/69/1113882869.db2.gz BFMSZIVLPKZGSK-ICSRJNTNSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CC[N@H+](C)CCCN[C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000491630241 246088993 /nfs/dbraw/zinc/08/89/93/246088993.db2.gz PAGIBMDFCRDXPF-OAHLLOKOSA-N 2 1 346.475 2.456 20 30 EEEDMP C#CCN(C)CCC[NH2+][C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000491630241 246088998 /nfs/dbraw/zinc/08/89/98/246088998.db2.gz PAGIBMDFCRDXPF-OAHLLOKOSA-N 2 1 346.475 2.456 20 30 EEEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000514795004 267336817 /nfs/dbraw/zinc/33/68/17/267336817.db2.gz NLEXBUIJPMRSER-QGZVFWFLSA-N 2 1 332.473 2.366 20 30 EEEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000514795004 267336818 /nfs/dbraw/zinc/33/68/18/267336818.db2.gz NLEXBUIJPMRSER-QGZVFWFLSA-N 2 1 332.473 2.366 20 30 EEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000514795004 267336819 /nfs/dbraw/zinc/33/68/19/267336819.db2.gz NLEXBUIJPMRSER-QGZVFWFLSA-N 2 1 332.473 2.366 20 30 EEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000514795004 267336820 /nfs/dbraw/zinc/33/68/20/267336820.db2.gz NLEXBUIJPMRSER-QGZVFWFLSA-N 2 1 332.473 2.366 20 30 EEEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150752232 463420387 /nfs/dbraw/zinc/42/03/87/463420387.db2.gz ITHXJGJFFXDINI-QGZVFWFLSA-N 2 1 326.444 2.305 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC000329768886 465429157 /nfs/dbraw/zinc/42/91/57/465429157.db2.gz HEFHEYVEJBMRCE-QAPCUYQASA-N 2 1 345.491 2.032 20 30 EEEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](CC)C1)N1CCN(c2cccs2)CC1 ZINC000261747683 463848719 /nfs/dbraw/zinc/84/87/19/463848719.db2.gz LLBFNTRTGLNPEF-MRXNPFEDSA-N 2 1 349.548 2.177 20 30 EEEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)cc1OC ZINC000277476408 463917506 /nfs/dbraw/zinc/91/75/06/463917506.db2.gz KEVIQHPQKPQPSW-OAHLLOKOSA-N 2 1 332.448 2.447 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000178903911 464009988 /nfs/dbraw/zinc/00/99/88/464009988.db2.gz XEFBANXVPBUABY-KRWDZBQOSA-N 2 1 336.524 2.304 20 30 EEEDMP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])Nc2cc(F)ccc2F)CCCO1 ZINC000288726037 464057424 /nfs/dbraw/zinc/05/74/24/464057424.db2.gz MSVHEQDVZLNXQU-GFCCVEGCSA-N 2 1 326.391 2.192 20 30 EEEDMP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264046852 464277007 /nfs/dbraw/zinc/27/70/07/464277007.db2.gz LBDWTYYSHAHSRF-HNNXBMFYSA-N 2 1 326.444 2.391 20 30 EEEDMP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264046852 464277013 /nfs/dbraw/zinc/27/70/13/464277013.db2.gz LBDWTYYSHAHSRF-HNNXBMFYSA-N 2 1 326.444 2.391 20 30 EEEDMP CC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000264136514 464286389 /nfs/dbraw/zinc/28/63/89/464286389.db2.gz ZVWRQTOTOMRYGB-FUHWJXTLSA-N 2 1 331.508 2.068 20 30 EEEDMP CC[C@H](C)NC(=[NH2+])NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000264136514 464286393 /nfs/dbraw/zinc/28/63/93/464286393.db2.gz ZVWRQTOTOMRYGB-FUHWJXTLSA-N 2 1 331.508 2.068 20 30 EEEDMP CC[C@H](C)NC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000264136514 464286398 /nfs/dbraw/zinc/28/63/98/464286398.db2.gz ZVWRQTOTOMRYGB-FUHWJXTLSA-N 2 1 331.508 2.068 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c(C)[nH]c2ccccc21 ZINC000264300841 464293086 /nfs/dbraw/zinc/29/30/86/464293086.db2.gz RTZJIISYJYWCEJ-HNNXBMFYSA-N 2 1 327.476 2.407 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000264425696 464321587 /nfs/dbraw/zinc/32/15/87/464321587.db2.gz SHZFTLLBOQAVOT-IBGZPJMESA-N 2 1 342.487 2.211 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000330309234 465607689 /nfs/dbraw/zinc/60/76/89/465607689.db2.gz UCJOQNVZHDIIQQ-CYBMUJFWSA-N 2 1 344.463 2.259 20 30 EEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000350249956 466437670 /nfs/dbraw/zinc/43/76/70/466437670.db2.gz JOCLCPVVAWNPJN-IBGZPJMESA-N 2 1 331.460 2.370 20 30 EEEDMP N#CCCCOc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000369037603 466711504 /nfs/dbraw/zinc/71/15/04/466711504.db2.gz ZASWGOXVOPHLBD-PKOBYXMFSA-N 2 1 329.444 2.322 20 30 EEEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453179299 467466014 /nfs/dbraw/zinc/46/60/14/467466014.db2.gz IWGFMDOUVFINOF-IPMKNSEASA-N 2 1 327.472 2.321 20 30 EEEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453179299 467466017 /nfs/dbraw/zinc/46/60/17/467466017.db2.gz IWGFMDOUVFINOF-IPMKNSEASA-N 2 1 327.472 2.321 20 30 EEEDMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC2)oc1C ZINC000598718531 468972257 /nfs/dbraw/zinc/97/22/57/468972257.db2.gz GDEUNPFGLGWKPD-KRWDZBQOSA-N 2 1 348.491 2.394 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723883 782133023 /nfs/dbraw/zinc/13/30/23/782133023.db2.gz KNIHQWCOZORPMN-FRQCXROJSA-N 2 1 337.483 2.191 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723883 782133030 /nfs/dbraw/zinc/13/30/30/782133030.db2.gz KNIHQWCOZORPMN-FRQCXROJSA-N 2 1 337.483 2.191 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723883 782133032 /nfs/dbraw/zinc/13/30/32/782133032.db2.gz KNIHQWCOZORPMN-FRQCXROJSA-N 2 1 337.483 2.191 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000644669301 485499236 /nfs/dbraw/zinc/49/92/36/485499236.db2.gz VPNNRALZGZOKAK-PKOBYXMFSA-N 2 1 332.488 2.476 20 30 EEEDMP C#CCOc1ccc(C[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000113321504 527103581 /nfs/dbraw/zinc/10/35/81/527103581.db2.gz HUVJTKVDLPYYRQ-UHFFFAOYSA-N 2 1 329.488 2.206 20 30 EEEDMP C=CCc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc(OC)c1O ZINC000733328146 577222805 /nfs/dbraw/zinc/22/28/05/577222805.db2.gz INSCHZGCRICAKV-UHFFFAOYSA-N 2 1 347.503 2.247 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC2CCC2)CC1 ZINC000969155492 674643120 /nfs/dbraw/zinc/64/31/20/674643120.db2.gz ACKNSHPDCPVSKO-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039179502 675917938 /nfs/dbraw/zinc/91/79/38/675917938.db2.gz BELFORNFNPZGNR-GOSISDBHSA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214819 676157908 /nfs/dbraw/zinc/15/79/08/676157908.db2.gz QHFHIIAIVPORCU-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214819 676157909 /nfs/dbraw/zinc/15/79/09/676157909.db2.gz QHFHIIAIVPORCU-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039214819 676157910 /nfs/dbraw/zinc/15/79/10/676157910.db2.gz QHFHIIAIVPORCU-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707849 676366827 /nfs/dbraw/zinc/36/68/27/676366827.db2.gz YSYNXHKDPJXDEI-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972009396 677967018 /nfs/dbraw/zinc/96/70/18/677967018.db2.gz RCKOPTKZZNVQLL-JKSUJKDBSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972009396 677967023 /nfs/dbraw/zinc/96/70/23/677967023.db2.gz RCKOPTKZZNVQLL-JKSUJKDBSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972407295 678695425 /nfs/dbraw/zinc/69/54/25/678695425.db2.gz DWDZSKFCKHFXEZ-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972407295 678695429 /nfs/dbraw/zinc/69/54/29/678695429.db2.gz DWDZSKFCKHFXEZ-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972407295 678695433 /nfs/dbraw/zinc/69/54/33/678695433.db2.gz DWDZSKFCKHFXEZ-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972407295 678695436 /nfs/dbraw/zinc/69/54/36/678695436.db2.gz DWDZSKFCKHFXEZ-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411681 679296174 /nfs/dbraw/zinc/29/61/74/679296174.db2.gz IGXMJDAPRNUAHH-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001023411681 679296176 /nfs/dbraw/zinc/29/61/76/679296176.db2.gz IGXMJDAPRNUAHH-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001023411681 679296177 /nfs/dbraw/zinc/29/61/77/679296177.db2.gz IGXMJDAPRNUAHH-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411672 679296221 /nfs/dbraw/zinc/29/62/21/679296221.db2.gz IGXMJDAPRNUAHH-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001023411672 679296222 /nfs/dbraw/zinc/29/62/22/679296222.db2.gz IGXMJDAPRNUAHH-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001023411672 679296223 /nfs/dbraw/zinc/29/62/23/679296223.db2.gz IGXMJDAPRNUAHH-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769850 679579288 /nfs/dbraw/zinc/57/92/88/679579288.db2.gz IKDRWQPQTYNMAZ-INIZCTEOSA-N 2 1 331.460 2.196 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024021212 679765101 /nfs/dbraw/zinc/76/51/01/679765101.db2.gz AFEKIRKOPKDQRF-UXHICEINSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024021212 679765102 /nfs/dbraw/zinc/76/51/02/679765102.db2.gz AFEKIRKOPKDQRF-UXHICEINSA-N 2 1 343.515 2.413 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001024624023 681291176 /nfs/dbraw/zinc/29/11/76/681291176.db2.gz KTRWUCPMHMWYLQ-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624023 681291180 /nfs/dbraw/zinc/29/11/80/681291180.db2.gz KTRWUCPMHMWYLQ-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624023 681291181 /nfs/dbraw/zinc/29/11/81/681291181.db2.gz KTRWUCPMHMWYLQ-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553850 681635853 /nfs/dbraw/zinc/63/58/53/681635853.db2.gz RBCFHUOYKBYVPI-BWPNAZKDSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553850 681635855 /nfs/dbraw/zinc/63/58/55/681635855.db2.gz RBCFHUOYKBYVPI-BWPNAZKDSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553850 681635857 /nfs/dbraw/zinc/63/58/57/681635857.db2.gz RBCFHUOYKBYVPI-BWPNAZKDSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028710889 681950464 /nfs/dbraw/zinc/95/04/64/681950464.db2.gz RCLKDTXIOHZWFE-KRWDZBQOSA-N 2 1 329.488 2.419 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028758954 682121739 /nfs/dbraw/zinc/12/17/39/682121739.db2.gz LKSHWGAAWVIKNJ-HOTGVXAUSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001028758954 682121743 /nfs/dbraw/zinc/12/17/43/682121743.db2.gz LKSHWGAAWVIKNJ-HOTGVXAUSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028758954 682121749 /nfs/dbraw/zinc/12/17/49/682121749.db2.gz LKSHWGAAWVIKNJ-HOTGVXAUSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028758954 682121750 /nfs/dbraw/zinc/12/17/50/682121750.db2.gz LKSHWGAAWVIKNJ-HOTGVXAUSA-N 2 1 327.900 2.299 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@@H+]2CCF)CC1 ZINC001025302126 682407694 /nfs/dbraw/zinc/40/76/94/682407694.db2.gz RWCPOWPHBLSHMF-RBUKOAKNSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461500 682829388 /nfs/dbraw/zinc/82/93/88/682829388.db2.gz UPOGVUWGMZTKDV-WBVHZDCISA-N 2 1 338.455 2.496 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001026464634 684678217 /nfs/dbraw/zinc/67/82/17/684678217.db2.gz OGQNTGBIGWLISA-MQBCKMQZSA-N 2 1 346.500 2.231 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3cc([C@@H]4CCCN4C)n[nH]3)CCC[C@@H]12 ZINC000990812664 693895620 /nfs/dbraw/zinc/89/56/20/693895620.db2.gz DQWLYDFVPCYHPP-YQVWRLOYSA-N 2 1 343.475 2.089 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990686137 693219025 /nfs/dbraw/zinc/21/90/25/693219025.db2.gz NMNVXBLERVDVGU-WSTZPKSXSA-N 2 1 331.504 2.408 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943770890 1192554535 /nfs/dbraw/zinc/55/45/35/1192554535.db2.gz BMKBSBAWPAHWGN-QAPCUYQASA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943770890 1192554538 /nfs/dbraw/zinc/55/45/38/1192554538.db2.gz BMKBSBAWPAHWGN-QAPCUYQASA-N 2 1 339.443 2.284 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001754539068 1178752372 /nfs/dbraw/zinc/75/23/72/1178752372.db2.gz QYEBHONZUBLCOR-LJQANCHMSA-N 2 1 333.520 2.302 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107072171 1193137841 /nfs/dbraw/zinc/13/78/41/1193137841.db2.gz JEIUXFVGBMMSTH-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107072171 1193137843 /nfs/dbraw/zinc/13/78/43/1193137843.db2.gz JEIUXFVGBMMSTH-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001482468268 1185971183 /nfs/dbraw/zinc/97/11/83/1185971183.db2.gz ABVJDLNZFCTRRA-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001088348693 1186633794 /nfs/dbraw/zinc/63/37/94/1186633794.db2.gz ZMKXRBCIPBGBSO-INIZCTEOSA-N 2 1 330.476 2.309 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569019 1187408292 /nfs/dbraw/zinc/40/82/92/1187408292.db2.gz DPXIVUWUWYLXIH-LMMKCTJWSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569019 1187408295 /nfs/dbraw/zinc/40/82/95/1187408295.db2.gz DPXIVUWUWYLXIH-LMMKCTJWSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569019 1187408298 /nfs/dbraw/zinc/40/82/98/1187408298.db2.gz DPXIVUWUWYLXIH-LMMKCTJWSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2cnc[nH]2)CCC1 ZINC001105541495 1188154232 /nfs/dbraw/zinc/15/42/32/1188154232.db2.gz BJKDJTLWYRYXOO-QGZVFWFLSA-N 2 1 328.460 2.117 20 30 EEEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168345328 1188311094 /nfs/dbraw/zinc/31/10/94/1188311094.db2.gz PWCYEVBQLUADLA-GOSISDBHSA-N 2 1 327.472 2.189 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033836408 1195354278 /nfs/dbraw/zinc/35/42/78/1195354278.db2.gz AWNXWHNQEQOWLR-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033836408 1195354283 /nfs/dbraw/zinc/35/42/83/1195354283.db2.gz AWNXWHNQEQOWLR-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033836408 1195354287 /nfs/dbraw/zinc/35/42/87/1195354287.db2.gz AWNXWHNQEQOWLR-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033836408 1195354292 /nfs/dbraw/zinc/35/42/92/1195354292.db2.gz AWNXWHNQEQOWLR-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033836408 1195354295 /nfs/dbraw/zinc/35/42/95/1195354295.db2.gz AWNXWHNQEQOWLR-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033836408 1195354300 /nfs/dbraw/zinc/35/43/00/1195354300.db2.gz AWNXWHNQEQOWLR-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046072 1195698198 /nfs/dbraw/zinc/69/81/98/1195698198.db2.gz PNIFWMOJNHLINK-IBGZPJMESA-N 2 1 327.472 2.308 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034216156 1195955909 /nfs/dbraw/zinc/95/59/09/1195955909.db2.gz FDSGCPMBMQQQRD-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034216156 1195955911 /nfs/dbraw/zinc/95/59/11/1195955911.db2.gz FDSGCPMBMQQQRD-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034216156 1195955913 /nfs/dbraw/zinc/95/59/13/1195955913.db2.gz FDSGCPMBMQQQRD-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034216156 1195955914 /nfs/dbraw/zinc/95/59/14/1195955914.db2.gz FDSGCPMBMQQQRD-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001133876897 1199142259 /nfs/dbraw/zinc/14/22/59/1199142259.db2.gz KRNYFWRSEFKXKU-UHFFFAOYSA-N 2 1 347.890 2.129 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202224 1199445768 /nfs/dbraw/zinc/44/57/68/1199445768.db2.gz DYGGRLMYFDIXAI-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)c2occc2CN(C)C)CC[C@@H]1C ZINC001132264784 1199501667 /nfs/dbraw/zinc/50/16/67/1199501667.db2.gz BLCSFWSIOGLTSY-DOTOQJQBSA-N 2 1 349.475 2.127 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132264784 1199501678 /nfs/dbraw/zinc/50/16/78/1199501678.db2.gz BLCSFWSIOGLTSY-DOTOQJQBSA-N 2 1 349.475 2.127 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335106 1199583531 /nfs/dbraw/zinc/58/35/31/1199583531.db2.gz JMFADJRASPTPMZ-IRXDYDNUSA-N 2 1 330.476 2.389 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335106 1199583534 /nfs/dbraw/zinc/58/35/34/1199583534.db2.gz JMFADJRASPTPMZ-IRXDYDNUSA-N 2 1 330.476 2.389 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525745 1199821842 /nfs/dbraw/zinc/82/18/42/1199821842.db2.gz UZRAASFHHGXNGZ-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137118263 1199898855 /nfs/dbraw/zinc/89/88/55/1199898855.db2.gz RQDRDWOIWBYBIX-UHFFFAOYSA-N 2 1 328.416 2.219 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133166046 1200539751 /nfs/dbraw/zinc/53/97/51/1200539751.db2.gz PIPNWWYDQJYGFQ-FUHWJXTLSA-N 2 1 330.476 2.069 20 30 EEEDMP CC[NH+](CC)CCN1c2ccccc2C(=NNc2cc[nH+]cc2)C1=O ZINC000779809751 1211043662 /nfs/dbraw/zinc/04/36/62/1211043662.db2.gz PLLZEIQQEQKPQV-UHFFFAOYSA-N 2 1 337.427 2.008 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOCCc1ccccc1 ZINC000303878812 1213917417 /nfs/dbraw/zinc/91/74/17/1213917417.db2.gz JIWRBGVDZSGLGF-SFHVURJKSA-N 2 1 332.492 2.024 20 30 EEEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N[C@@H](C)CCCC(C)C)CC1 ZINC000303885431 1213921052 /nfs/dbraw/zinc/92/10/52/1213921052.db2.gz NDRPSOCKZUKSOZ-ROUUACIJSA-N 2 1 339.572 2.379 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)COc1ccccc1OC ZINC000305688146 1216975701 /nfs/dbraw/zinc/97/57/01/1216975701.db2.gz PHWVJQXCRQQIBO-JKSUJKDBSA-N 2 1 348.491 2.099 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961195401 1217082016 /nfs/dbraw/zinc/08/20/16/1217082016.db2.gz BNRCOVFGHGKZLR-MSOLQXFVSA-N 2 1 336.439 2.142 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961379023 1217166077 /nfs/dbraw/zinc/16/60/77/1217166077.db2.gz PPKRQVGMDIDABP-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379023 1217166078 /nfs/dbraw/zinc/16/60/78/1217166078.db2.gz PPKRQVGMDIDABP-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379023 1217166079 /nfs/dbraw/zinc/16/60/79/1217166079.db2.gz PPKRQVGMDIDABP-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@H+](CC)C3)CC2)CC1 ZINC000961436910 1217189828 /nfs/dbraw/zinc/18/98/28/1217189828.db2.gz XZVOQOQBVRPJKV-HXUWFJFHSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961443813 1217192130 /nfs/dbraw/zinc/19/21/30/1217192130.db2.gz WPBOMLUDUHQQSY-IBGZPJMESA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357231 1217551083 /nfs/dbraw/zinc/55/10/83/1217551083.db2.gz IXGVXPKEDFDCGG-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000964034474 1218211395 /nfs/dbraw/zinc/21/13/95/1218211395.db2.gz DFKVKUMJHYRFNS-UKEPKTAJSA-N 2 1 325.884 2.240 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001020251551 1229583698 /nfs/dbraw/zinc/58/36/98/1229583698.db2.gz SORTWFXMKYFNCJ-WTGUMLROSA-N 2 1 339.483 2.472 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001020251551 1229583703 /nfs/dbraw/zinc/58/37/03/1229583703.db2.gz SORTWFXMKYFNCJ-WTGUMLROSA-N 2 1 339.483 2.472 20 30 EEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039152999 1230372256 /nfs/dbraw/zinc/37/22/56/1230372256.db2.gz MQMKJMIEEUZUEQ-WDSOQIARSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039152999 1230372261 /nfs/dbraw/zinc/37/22/61/1230372261.db2.gz MQMKJMIEEUZUEQ-WDSOQIARSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039152999 1230372263 /nfs/dbraw/zinc/37/22/63/1230372263.db2.gz MQMKJMIEEUZUEQ-WDSOQIARSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC001039169940 1230394706 /nfs/dbraw/zinc/39/47/06/1230394706.db2.gz IDOBDRARMRWUPO-GOSISDBHSA-N 2 1 344.503 2.489 20 30 EEEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001039321672 1230526046 /nfs/dbraw/zinc/52/60/46/1230526046.db2.gz LNWSXAZQBSZXGC-HNSVSWJLSA-N 2 1 325.884 2.192 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001039424001 1230601606 /nfs/dbraw/zinc/60/16/06/1230601606.db2.gz XDNKQIBQGAOBGL-OTWHNJEPSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039424001 1230601608 /nfs/dbraw/zinc/60/16/08/1230601608.db2.gz XDNKQIBQGAOBGL-OTWHNJEPSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039424001 1230601609 /nfs/dbraw/zinc/60/16/09/1230601609.db2.gz XDNKQIBQGAOBGL-OTWHNJEPSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH+]ccc1N(C)C ZINC001039460308 1230625835 /nfs/dbraw/zinc/62/58/35/1230625835.db2.gz KBBCJOSIRXDSGC-CVEARBPZSA-N 2 1 328.460 2.403 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH+]ccc1N(C)C ZINC001039460308 1230625837 /nfs/dbraw/zinc/62/58/37/1230625837.db2.gz KBBCJOSIRXDSGC-CVEARBPZSA-N 2 1 328.460 2.403 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040394895 1231206042 /nfs/dbraw/zinc/20/60/42/1231206042.db2.gz MEWNFUKVYYPXSP-QAPCUYQASA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040394895 1231206046 /nfs/dbraw/zinc/20/60/46/1231206046.db2.gz MEWNFUKVYYPXSP-QAPCUYQASA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040394895 1231206049 /nfs/dbraw/zinc/20/60/49/1231206049.db2.gz MEWNFUKVYYPXSP-QAPCUYQASA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040394895 1231206052 /nfs/dbraw/zinc/20/60/52/1231206052.db2.gz MEWNFUKVYYPXSP-QAPCUYQASA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041298306 1231498415 /nfs/dbraw/zinc/49/84/15/1231498415.db2.gz WLGWQKXPUYTVKY-INMHGKMJSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041298306 1231498418 /nfs/dbraw/zinc/49/84/18/1231498418.db2.gz WLGWQKXPUYTVKY-INMHGKMJSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041298306 1231498419 /nfs/dbraw/zinc/49/84/19/1231498419.db2.gz WLGWQKXPUYTVKY-INMHGKMJSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041298306 1231498422 /nfs/dbraw/zinc/49/84/22/1231498422.db2.gz WLGWQKXPUYTVKY-INMHGKMJSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041348183 1231514496 /nfs/dbraw/zinc/51/44/96/1231514496.db2.gz GYKVRTJEBJQVGT-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348183 1231514497 /nfs/dbraw/zinc/51/44/97/1231514497.db2.gz GYKVRTJEBJQVGT-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348183 1231514498 /nfs/dbraw/zinc/51/44/98/1231514498.db2.gz GYKVRTJEBJQVGT-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505777 1231571695 /nfs/dbraw/zinc/57/16/95/1231571695.db2.gz MUJQBVKEYONLSC-UYAOXDASSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CCC4CC4)C3)C2)CC1 ZINC001041845392 1231728927 /nfs/dbraw/zinc/72/89/27/1231728927.db2.gz XULRWQMJDYYTOV-NRFANRHFSA-N 2 1 343.515 2.056 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001042157535 1231925554 /nfs/dbraw/zinc/92/55/54/1231925554.db2.gz RJCNZAHZPZCCLO-APWZRJJASA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001042157535 1231925556 /nfs/dbraw/zinc/92/55/56/1231925556.db2.gz RJCNZAHZPZCCLO-APWZRJJASA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042205587 1231955989 /nfs/dbraw/zinc/95/59/89/1231955989.db2.gz XXARPRRXUZEXDV-WBVHZDCISA-N 2 1 331.460 2.454 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042205587 1231955992 /nfs/dbraw/zinc/95/59/92/1231955992.db2.gz XXARPRRXUZEXDV-WBVHZDCISA-N 2 1 331.460 2.454 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297614 1232012670 /nfs/dbraw/zinc/01/26/70/1232012670.db2.gz RYVIDXCAKWJKOV-IEBWSBKVSA-N 2 1 331.504 2.053 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001045092661 1233497115 /nfs/dbraw/zinc/49/71/15/1233497115.db2.gz COWBWNLYPJQGQG-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096019278 1233663815 /nfs/dbraw/zinc/66/38/15/1233663815.db2.gz BVZWIUVAJHIBRB-LMSBXDPUSA-N 2 1 328.460 2.052 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096019278 1233663818 /nfs/dbraw/zinc/66/38/18/1233663818.db2.gz BVZWIUVAJHIBRB-LMSBXDPUSA-N 2 1 328.460 2.052 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045960178 1234234301 /nfs/dbraw/zinc/23/43/01/1234234301.db2.gz BTTKGPHXZBISRO-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045960178 1234234306 /nfs/dbraw/zinc/23/43/06/1234234306.db2.gz BTTKGPHXZBISRO-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045960178 1234234311 /nfs/dbraw/zinc/23/43/11/1234234311.db2.gz BTTKGPHXZBISRO-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319202 1234663522 /nfs/dbraw/zinc/66/35/22/1234663522.db2.gz PZDCJLPLIBSXBR-XLIONFOSSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319202 1234663524 /nfs/dbraw/zinc/66/35/24/1234663524.db2.gz PZDCJLPLIBSXBR-XLIONFOSSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319202 1234663527 /nfs/dbraw/zinc/66/35/27/1234663527.db2.gz PZDCJLPLIBSXBR-XLIONFOSSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001046994740 1235407019 /nfs/dbraw/zinc/40/70/19/1235407019.db2.gz LSBGMRJYJNSSGW-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001046994740 1235407020 /nfs/dbraw/zinc/40/70/20/1235407020.db2.gz LSBGMRJYJNSSGW-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001046994740 1235407021 /nfs/dbraw/zinc/40/70/21/1235407021.db2.gz LSBGMRJYJNSSGW-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC ZINC001048532681 1237893445 /nfs/dbraw/zinc/89/34/45/1237893445.db2.gz CYYYKUMTKUYUPZ-OBKDMQGPSA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001048532681 1237893455 /nfs/dbraw/zinc/89/34/55/1237893455.db2.gz CYYYKUMTKUYUPZ-OBKDMQGPSA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC ZINC001048532681 1237893464 /nfs/dbraw/zinc/89/34/64/1237893464.db2.gz CYYYKUMTKUYUPZ-OBKDMQGPSA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC ZINC001048532681 1237893474 /nfs/dbraw/zinc/89/34/74/1237893474.db2.gz CYYYKUMTKUYUPZ-OBKDMQGPSA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001048532673 1237895058 /nfs/dbraw/zinc/89/50/58/1237895058.db2.gz CPCOICLARNCCRS-FQBWVUSXSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001048532673 1237895069 /nfs/dbraw/zinc/89/50/69/1237895069.db2.gz CPCOICLARNCCRS-FQBWVUSXSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](F)CC ZINC001048532673 1237895076 /nfs/dbraw/zinc/89/50/76/1237895076.db2.gz CPCOICLARNCCRS-FQBWVUSXSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](F)CC ZINC001048532673 1237895081 /nfs/dbraw/zinc/89/50/81/1237895081.db2.gz CPCOICLARNCCRS-FQBWVUSXSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048538748 1237911782 /nfs/dbraw/zinc/91/17/82/1237911782.db2.gz AOEGIISYWYYNEF-RDGPPVDQSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001048538748 1237911788 /nfs/dbraw/zinc/91/17/88/1237911788.db2.gz AOEGIISYWYYNEF-RDGPPVDQSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001048538748 1237911791 /nfs/dbraw/zinc/91/17/91/1237911791.db2.gz AOEGIISYWYYNEF-RDGPPVDQSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC001000185380 1240039908 /nfs/dbraw/zinc/03/99/08/1240039908.db2.gz OCCYASNAGTWWCA-MOPGFXCFSA-N 2 1 343.515 2.387 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000194484 1240049121 /nfs/dbraw/zinc/04/91/21/1240049121.db2.gz VTALLYONSUGCDX-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C=CCC[NH+]1CCC(C2(NC(=O)c3cc(C[NH+](C)C)on3)CC2)CC1 ZINC001000197878 1240053625 /nfs/dbraw/zinc/05/36/25/1240053625.db2.gz WRLDVWSIYKHWHI-UHFFFAOYSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC001000249219 1240099996 /nfs/dbraw/zinc/09/99/96/1240099996.db2.gz QUTINJLXTQHHQN-GOSISDBHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC001000249219 1240100004 /nfs/dbraw/zinc/10/00/04/1240100004.db2.gz QUTINJLXTQHHQN-GOSISDBHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049600334 1241602144 /nfs/dbraw/zinc/60/21/44/1241602144.db2.gz ZVUILLWJOMLLSK-OALUTQOASA-N 2 1 342.487 2.403 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049600334 1241602153 /nfs/dbraw/zinc/60/21/53/1241602153.db2.gz ZVUILLWJOMLLSK-OALUTQOASA-N 2 1 342.487 2.403 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049764757 1242125679 /nfs/dbraw/zinc/12/56/79/1242125679.db2.gz FGIVAEZQTDYPNQ-IPMKNSEASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049918852 1242708784 /nfs/dbraw/zinc/70/87/84/1242708784.db2.gz MZLPFAREMMIRGV-IPMKNSEASA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097737721 1244549478 /nfs/dbraw/zinc/54/94/78/1244549478.db2.gz UABMSLSRBHNJSH-ISARSNTHSA-N 2 1 342.487 2.442 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097737721 1244549489 /nfs/dbraw/zinc/54/94/89/1244549489.db2.gz UABMSLSRBHNJSH-ISARSNTHSA-N 2 1 342.487 2.442 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CC(C)C3)CC2)CC1 ZINC001052953704 1245544949 /nfs/dbraw/zinc/54/49/49/1245544949.db2.gz GJQJWXQJGXWRBH-AFMYVXGZSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461512 1245859449 /nfs/dbraw/zinc/85/94/49/1245859449.db2.gz GOQWXABBEWCBOF-WDYCEAGBSA-N 2 1 330.476 2.327 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461512 1245859452 /nfs/dbraw/zinc/85/94/52/1245859452.db2.gz GOQWXABBEWCBOF-WDYCEAGBSA-N 2 1 330.476 2.327 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053089838 1245873401 /nfs/dbraw/zinc/87/34/01/1245873401.db2.gz DKNPUIASHFRRNH-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053089838 1245873411 /nfs/dbraw/zinc/87/34/11/1245873411.db2.gz DKNPUIASHFRRNH-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001101541839 1245944583 /nfs/dbraw/zinc/94/45/83/1245944583.db2.gz XHEAWURRJBRUKH-HKUYNNGSSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001101555989 1245960424 /nfs/dbraw/zinc/96/04/24/1245960424.db2.gz SXHKWPHGHMAXLD-UHFFFAOYSA-N 2 1 330.476 2.069 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C(C)(C)[NH+]1CCCCC1)CCO2 ZINC001053256167 1246101279 /nfs/dbraw/zinc/10/12/79/1246101279.db2.gz VVBZPYVUTCSWLX-UHFFFAOYSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052565981 1247573447 /nfs/dbraw/zinc/57/34/47/1247573447.db2.gz JJBXGYRBGLVUSF-MRXNPFEDSA-N 2 1 330.476 2.309 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052565981 1247573454 /nfs/dbraw/zinc/57/34/54/1247573454.db2.gz JJBXGYRBGLVUSF-MRXNPFEDSA-N 2 1 330.476 2.309 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054164588 1247578727 /nfs/dbraw/zinc/57/87/27/1247578727.db2.gz NGOIZKGVRKGUQO-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054164588 1247578741 /nfs/dbraw/zinc/57/87/41/1247578741.db2.gz NGOIZKGVRKGUQO-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052657976 1247793532 /nfs/dbraw/zinc/79/35/32/1247793532.db2.gz BWLDIJNIZPCDPK-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052657976 1247793545 /nfs/dbraw/zinc/79/35/45/1247793545.db2.gz BWLDIJNIZPCDPK-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052657976 1247793557 /nfs/dbraw/zinc/79/35/57/1247793557.db2.gz BWLDIJNIZPCDPK-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+]1CCCCC1 ZINC001099552965 1258201892 /nfs/dbraw/zinc/20/18/92/1258201892.db2.gz QJNUWGQPVHFNII-HAGHYFMRSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC2(CCOCC2)C1 ZINC001099582903 1258227297 /nfs/dbraw/zinc/22/72/97/1258227297.db2.gz DULNEZQIMKPZDP-KRWDZBQOSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099583391 1258227715 /nfs/dbraw/zinc/22/77/15/1258227715.db2.gz QDIARDOLUMOYMT-KRWDZBQOSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099583391 1258227719 /nfs/dbraw/zinc/22/77/19/1258227719.db2.gz QDIARDOLUMOYMT-KRWDZBQOSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099583391 1258227722 /nfs/dbraw/zinc/22/77/22/1258227722.db2.gz QDIARDOLUMOYMT-KRWDZBQOSA-N 2 1 349.519 2.034 20 30 EEEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCOCCC#N)CC2)CC1 ZINC000815060237 1278046162 /nfs/dbraw/zinc/04/61/62/1278046162.db2.gz JWEYIKIHCDCMCP-UHFFFAOYSA-N 2 1 336.524 2.045 20 30 EEEDMP C[N@H+](CCOCCC#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000815060237 1278046165 /nfs/dbraw/zinc/04/61/65/1278046165.db2.gz JWEYIKIHCDCMCP-UHFFFAOYSA-N 3 1 336.524 2.045 20 30 EEEDMP C[N@@H+](CCOCCC#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000815060237 1278046174 /nfs/dbraw/zinc/04/61/74/1278046174.db2.gz JWEYIKIHCDCMCP-UHFFFAOYSA-N 3 1 336.524 2.045 20 30 EEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946355 1281720590 /nfs/dbraw/zinc/72/05/90/1281720590.db2.gz AWGVFMDDGWXNPO-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191946355 1281720597 /nfs/dbraw/zinc/72/05/97/1281720597.db2.gz AWGVFMDDGWXNPO-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191946355 1281720602 /nfs/dbraw/zinc/72/06/02/1281720602.db2.gz AWGVFMDDGWXNPO-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C=CCCC[NH2+]C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001201640329 1289693280 /nfs/dbraw/zinc/69/32/80/1289693280.db2.gz FOEAWYMDQUYAOG-UHFFFAOYSA-N 2 1 330.476 2.309 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734849 1296073888 /nfs/dbraw/zinc/07/38/88/1296073888.db2.gz RHPPWQCOWPAEJT-HZPDHXFCSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734849 1296073895 /nfs/dbraw/zinc/07/38/95/1296073895.db2.gz RHPPWQCOWPAEJT-HZPDHXFCSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072734849 1296073908 /nfs/dbraw/zinc/07/39/08/1296073908.db2.gz RHPPWQCOWPAEJT-HZPDHXFCSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734849 1296073923 /nfs/dbraw/zinc/07/39/23/1296073923.db2.gz RHPPWQCOWPAEJT-HZPDHXFCSA-N 2 1 337.895 2.148 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC/C=C/CC)[C@H]2C1 ZINC001222913073 1299918154 /nfs/dbraw/zinc/91/81/54/1299918154.db2.gz HMKORGRJHBQLFI-UOUNDWCUSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC/C=C/CC)[C@H]2C1 ZINC001222913073 1299918160 /nfs/dbraw/zinc/91/81/60/1299918160.db2.gz HMKORGRJHBQLFI-UOUNDWCUSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC/C=C/CC)[C@H]2C1 ZINC001222913073 1299918163 /nfs/dbraw/zinc/91/81/63/1299918163.db2.gz HMKORGRJHBQLFI-UOUNDWCUSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC/C=C/CC)[C@H]2C1 ZINC001222913073 1299918165 /nfs/dbraw/zinc/91/81/65/1299918165.db2.gz HMKORGRJHBQLFI-UOUNDWCUSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC/C=C/CC)[C@H]2C1 ZINC001222913073 1299918171 /nfs/dbraw/zinc/91/81/71/1299918171.db2.gz HMKORGRJHBQLFI-UOUNDWCUSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001225143035 1300912547 /nfs/dbraw/zinc/91/25/47/1300912547.db2.gz RXTCBQUGHKPDIU-IBGZPJMESA-N 2 1 327.472 2.141 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225525816 1301037434 /nfs/dbraw/zinc/03/74/34/1301037434.db2.gz VSOBQQBRNHIAQK-KURKYZTESA-N 2 1 337.508 2.080 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225525816 1301037447 /nfs/dbraw/zinc/03/74/47/1301037447.db2.gz VSOBQQBRNHIAQK-KURKYZTESA-N 2 1 337.508 2.080 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001230274906 1303136129 /nfs/dbraw/zinc/13/61/29/1303136129.db2.gz SHHIINMVHAIEMG-KURKYZTESA-N 2 1 337.508 2.080 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230840763 1303493838 /nfs/dbraw/zinc/49/38/38/1303493838.db2.gz GSBSHICIOUWTSE-GOSISDBHSA-N 2 1 332.492 2.162 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001104213756 1303652543 /nfs/dbraw/zinc/65/25/43/1303652543.db2.gz OUBSWHMKFGGFJG-KZNAEPCWSA-N 2 1 344.503 2.494 20 30 EEEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740840 1303830600 /nfs/dbraw/zinc/83/06/00/1303830600.db2.gz QLQAWBDUIFBUNB-BJLQDIEVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740840 1303830603 /nfs/dbraw/zinc/83/06/03/1303830603.db2.gz QLQAWBDUIFBUNB-BJLQDIEVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740840 1303830606 /nfs/dbraw/zinc/83/06/06/1303830606.db2.gz QLQAWBDUIFBUNB-BJLQDIEVSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CCCCC1 ZINC001115577654 1305412144 /nfs/dbraw/zinc/41/21/44/1305412144.db2.gz BKQQNMAIOZAPLO-IRXDYDNUSA-N 2 1 337.483 2.241 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CCCCC1 ZINC001115577654 1305412152 /nfs/dbraw/zinc/41/21/52/1305412152.db2.gz BKQQNMAIOZAPLO-IRXDYDNUSA-N 2 1 337.483 2.241 20 30 EEEDMP COC(=O)[C@H]1C[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC001236412021 1305573897 /nfs/dbraw/zinc/57/38/97/1305573897.db2.gz REKFLVANOXLBRH-SFTDATJTSA-N 2 1 348.446 2.409 20 30 EEEDMP COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC001236412021 1305573906 /nfs/dbraw/zinc/57/39/06/1305573906.db2.gz REKFLVANOXLBRH-SFTDATJTSA-N 2 1 348.446 2.409 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001121289603 1309969722 /nfs/dbraw/zinc/96/97/22/1309969722.db2.gz ZLRUJJJPFPSDMD-BMTWLGCMSA-N 2 1 329.488 2.044 20 30 EEEDMP COC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246402020 1310301676 /nfs/dbraw/zinc/30/16/76/1310301676.db2.gz SILKQYWSGPACMM-ABHNRTSZSA-N 2 1 329.444 2.455 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731849 1316356385 /nfs/dbraw/zinc/35/63/85/1316356385.db2.gz SFZRTLVJWMQVLO-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153446086 1316829550 /nfs/dbraw/zinc/82/95/50/1316829550.db2.gz OMJYPIFHRNSHAJ-GPMSIDNRSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153446086 1316829553 /nfs/dbraw/zinc/82/95/53/1316829553.db2.gz OMJYPIFHRNSHAJ-GPMSIDNRSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153446086 1316829556 /nfs/dbraw/zinc/82/95/56/1316829556.db2.gz OMJYPIFHRNSHAJ-GPMSIDNRSA-N 2 1 342.487 2.225 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1=CCCCC1 ZINC001153891304 1316909933 /nfs/dbraw/zinc/90/99/33/1316909933.db2.gz WDSDXAPXUQHTFW-MJGOQNOKSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1=CCCCC1 ZINC001153891304 1316909935 /nfs/dbraw/zinc/90/99/35/1316909935.db2.gz WDSDXAPXUQHTFW-MJGOQNOKSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1=CCCCC1 ZINC001153891304 1316909937 /nfs/dbraw/zinc/90/99/37/1316909937.db2.gz WDSDXAPXUQHTFW-MJGOQNOKSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1=CCCCC1 ZINC001153891304 1316909940 /nfs/dbraw/zinc/90/99/40/1316909940.db2.gz WDSDXAPXUQHTFW-MJGOQNOKSA-N 2 1 331.504 2.411 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930549 1316918420 /nfs/dbraw/zinc/91/84/20/1316918420.db2.gz PHPMJCNWHJBJOL-APWZRJJASA-N 2 1 344.503 2.471 20 30 EEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153995341 1316932677 /nfs/dbraw/zinc/93/26/77/1316932677.db2.gz YEWOLBTUYPGTDM-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153995341 1316932680 /nfs/dbraw/zinc/93/26/80/1316932680.db2.gz YEWOLBTUYPGTDM-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155254834 1317524365 /nfs/dbraw/zinc/52/43/65/1317524365.db2.gz GFQMTMLQTKJXTE-GOSISDBHSA-N 2 1 329.488 2.011 20 30 EEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001155254834 1317524372 /nfs/dbraw/zinc/52/43/72/1317524372.db2.gz GFQMTMLQTKJXTE-GOSISDBHSA-N 2 1 329.488 2.011 20 30 EEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001155254834 1317524380 /nfs/dbraw/zinc/52/43/80/1317524380.db2.gz GFQMTMLQTKJXTE-GOSISDBHSA-N 2 1 329.488 2.011 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](C[NH2+][C@H]3CC[C@@H](C#N)C3)C[C@H]2C1 ZINC001254634324 1318152028 /nfs/dbraw/zinc/15/20/28/1318152028.db2.gz BPHBSKYQMXOLLQ-NCOADZHNSA-N 2 1 348.491 2.209 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](C[NH2+][C@H]3CC[C@@H](C#N)C3)C[C@H]2C1 ZINC001254634324 1318152033 /nfs/dbraw/zinc/15/20/33/1318152033.db2.gz BPHBSKYQMXOLLQ-NCOADZHNSA-N 2 1 348.491 2.209 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157108745 1318413754 /nfs/dbraw/zinc/41/37/54/1318413754.db2.gz CHLQAGQMJWRYTF-GOSISDBHSA-N 2 1 329.488 2.205 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157108745 1318413765 /nfs/dbraw/zinc/41/37/65/1318413765.db2.gz CHLQAGQMJWRYTF-GOSISDBHSA-N 2 1 329.488 2.205 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157108745 1318413773 /nfs/dbraw/zinc/41/37/73/1318413773.db2.gz CHLQAGQMJWRYTF-GOSISDBHSA-N 2 1 329.488 2.205 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCCF)CC1 ZINC001158914411 1319505101 /nfs/dbraw/zinc/50/51/01/1319505101.db2.gz PLRCZHRCWVGEML-GOSISDBHSA-N 2 1 337.483 2.004 20 30 EEEDMP CC1(C)CCCc2cc(C#N)c(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)nc21 ZINC001160517927 1320182314 /nfs/dbraw/zinc/18/23/14/1320182314.db2.gz FGIDZUZUTAZOIC-FQEVSTJZSA-N 2 1 339.487 2.402 20 30 EEEDMP C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160950131 1320329194 /nfs/dbraw/zinc/32/91/94/1320329194.db2.gz BJHRODNVHYBUIS-KXBFYZLASA-N 2 1 336.439 2.324 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986385 1320344141 /nfs/dbraw/zinc/34/41/41/1320344141.db2.gz RVFPDAHNDVPYHC-IBGZPJMESA-N 2 1 331.504 2.270 20 30 EEEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986385 1320344142 /nfs/dbraw/zinc/34/41/42/1320344142.db2.gz RVFPDAHNDVPYHC-IBGZPJMESA-N 2 1 331.504 2.270 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986385 1320344144 /nfs/dbraw/zinc/34/41/44/1320344144.db2.gz RVFPDAHNDVPYHC-IBGZPJMESA-N 2 1 331.504 2.270 20 30 EEEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)C12CCC2 ZINC001203492711 1321895182 /nfs/dbraw/zinc/89/51/82/1321895182.db2.gz NONPFONRYCCPDG-MSOLQXFVSA-N 2 1 349.519 2.082 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208074177 1324301912 /nfs/dbraw/zinc/30/19/12/1324301912.db2.gz UEFBFGVMRVPMEG-IRXDYDNUSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334123 1324432823 /nfs/dbraw/zinc/43/28/23/1324432823.db2.gz FVQBXIGOWRYUCG-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001332078640 1335721517 /nfs/dbraw/zinc/72/15/17/1335721517.db2.gz ZSNGQLJRLQIOLJ-IAGOWNOFSA-N 2 1 348.878 2.379 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200722386 1338550412 /nfs/dbraw/zinc/55/04/12/1338550412.db2.gz WJKQWAZPKSMFRM-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198767214 1368643028 /nfs/dbraw/zinc/64/30/28/1368643028.db2.gz MQHQWVUBMPOUBP-HKUYNNGSSA-N 2 1 345.487 2.052 20 30 EEEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702069 1370559703 /nfs/dbraw/zinc/55/97/03/1370559703.db2.gz SQDDKSLRTCMVNF-SJLPKXTDSA-N 2 1 327.472 2.007 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001368117734 1374336782 /nfs/dbraw/zinc/33/67/82/1374336782.db2.gz ASZGYQYGUQLJEJ-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001376555694 1378593221 /nfs/dbraw/zinc/59/32/21/1378593221.db2.gz HZSWXRAIGUTYPO-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)s1)C1CCC1 ZINC001377404244 1379210363 /nfs/dbraw/zinc/21/03/63/1379210363.db2.gz IYOUABOZAUEWKL-HNNXBMFYSA-N 2 1 346.500 2.185 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)s1)C1CCC1 ZINC001377404244 1379210366 /nfs/dbraw/zinc/21/03/66/1379210366.db2.gz IYOUABOZAUEWKL-HNNXBMFYSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1)C1CCC1 ZINC001377404244 1379210370 /nfs/dbraw/zinc/21/03/70/1379210370.db2.gz IYOUABOZAUEWKL-HNNXBMFYSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1)C1CCC1 ZINC001377404244 1379210373 /nfs/dbraw/zinc/21/03/73/1379210373.db2.gz IYOUABOZAUEWKL-HNNXBMFYSA-N 2 1 346.500 2.185 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001380670367 1381330884 /nfs/dbraw/zinc/33/08/84/1381330884.db2.gz NNYPNFWITQNRSE-GJZGRUSLSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001398734841 1394170483 /nfs/dbraw/zinc/17/04/83/1394170483.db2.gz YCPPDBQWIZWCKR-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC/C=C\CC)C1 ZINC001753332570 1406730288 /nfs/dbraw/zinc/73/02/88/1406730288.db2.gz QHNKUAYRXNCQJG-DSQZMVHQSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001753332570 1406730299 /nfs/dbraw/zinc/73/02/99/1406730299.db2.gz QHNKUAYRXNCQJG-DSQZMVHQSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC/C=C\CC)C1 ZINC001753332570 1406730305 /nfs/dbraw/zinc/73/03/05/1406730305.db2.gz QHNKUAYRXNCQJG-DSQZMVHQSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC/C=C\CC)C1 ZINC001753332570 1406730314 /nfs/dbraw/zinc/73/03/14/1406730314.db2.gz QHNKUAYRXNCQJG-DSQZMVHQSA-N 2 1 331.504 2.269 20 30 EEEDMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)CCC1 ZINC001402072322 1397747755 /nfs/dbraw/zinc/74/77/55/1397747755.db2.gz ADMXAHOHCABYAU-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)CCC1 ZINC001402072322 1397747757 /nfs/dbraw/zinc/74/77/57/1397747757.db2.gz ADMXAHOHCABYAU-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001754581977 1406930994 /nfs/dbraw/zinc/93/09/94/1406930994.db2.gz PBFCAPIJDGGSHX-GOEBONIOSA-N 2 1 330.476 2.251 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001755138427 1407148625 /nfs/dbraw/zinc/14/86/25/1407148625.db2.gz MODXYIJOVZCVHF-HZPDHXFCSA-N 2 1 327.488 2.459 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001755463234 1407497558 /nfs/dbraw/zinc/49/75/58/1407497558.db2.gz JENHGONKVWJISY-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC=C(Cl)Cl ZINC001755500870 1407545216 /nfs/dbraw/zinc/54/52/16/1407545216.db2.gz HFKJYSUNUXPKNX-KGLIPLIRSA-N 2 1 346.302 2.278 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC=C(Cl)Cl ZINC001755500870 1407545221 /nfs/dbraw/zinc/54/52/21/1407545221.db2.gz HFKJYSUNUXPKNX-KGLIPLIRSA-N 2 1 346.302 2.278 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081431 1410519560 /nfs/dbraw/zinc/51/95/60/1410519560.db2.gz SIGUJGJNNMWPRG-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CC[NH2+]C1(CNC(=O)CCCC[NH+]2CCOCC2)CCCCC1 ZINC001115773030 1411046981 /nfs/dbraw/zinc/04/69/81/1411046981.db2.gz HHYWMRGIOHRRSR-UHFFFAOYSA-N 2 1 337.508 2.084 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001167640368 760803659 /nfs/dbraw/zinc/80/36/59/760803659.db2.gz NREYNYSEIVKKGC-UHFFFAOYSA-N 2 1 341.499 2.256 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001087305955 761553028 /nfs/dbraw/zinc/55/30/28/761553028.db2.gz AZDWOFABIGMJRW-YZGWKJHDSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087306400 761554417 /nfs/dbraw/zinc/55/44/17/761554417.db2.gz IMWLSVGQZWLPHR-HOJAQTOUSA-N 2 1 345.531 2.347 20 30 EEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104680120 764720733 /nfs/dbraw/zinc/72/07/33/764720733.db2.gz PSYGYPUCFRSTSE-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC(C)(C)C1 ZINC001089495644 769882737 /nfs/dbraw/zinc/88/27/37/769882737.db2.gz YBJPVVOIRRYTKI-ARFHVFGLSA-N 2 1 330.476 2.316 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089539347 770167012 /nfs/dbraw/zinc/16/70/12/770167012.db2.gz LMPUESCIZDVVBL-MRXNPFEDSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089539347 770167020 /nfs/dbraw/zinc/16/70/20/770167020.db2.gz LMPUESCIZDVVBL-MRXNPFEDSA-N 2 1 342.487 2.391 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088052991 782824836 /nfs/dbraw/zinc/82/48/36/782824836.db2.gz PQSWNKSIHHPYCI-CEXWTWQISA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053133 782825745 /nfs/dbraw/zinc/82/57/45/782825745.db2.gz VSIIDLQQNDUOAI-QYZOEREBSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942718886 783049904 /nfs/dbraw/zinc/04/99/04/783049904.db2.gz DKAGGCNSWCFAOD-LPHOPBHVSA-N 2 1 329.488 2.417 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)[C@H](C)C2)CC1 ZINC000948070200 773418587 /nfs/dbraw/zinc/41/85/87/773418587.db2.gz NQKIOKGJTHSBNE-VQIMIIECSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC000980081055 773836466 /nfs/dbraw/zinc/83/64/66/773836466.db2.gz DCZIGLUWNJOUDZ-ARFHVFGLSA-N 2 1 346.475 2.143 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC000980081055 773836469 /nfs/dbraw/zinc/83/64/69/773836469.db2.gz DCZIGLUWNJOUDZ-ARFHVFGLSA-N 2 1 346.475 2.143 20 30 EEEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089732202 774794250 /nfs/dbraw/zinc/79/42/50/774794250.db2.gz OZEJZQWOFVKFTG-GJZGRUSLSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001089732202 774794254 /nfs/dbraw/zinc/79/42/54/774794254.db2.gz OZEJZQWOFVKFTG-GJZGRUSLSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089732202 774794260 /nfs/dbraw/zinc/79/42/60/774794260.db2.gz OZEJZQWOFVKFTG-GJZGRUSLSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089732202 774794265 /nfs/dbraw/zinc/79/42/65/774794265.db2.gz OZEJZQWOFVKFTG-GJZGRUSLSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981185293 776731704 /nfs/dbraw/zinc/73/17/04/776731704.db2.gz SSZDTSNVXBCHHW-OLZOCXBDSA-N 2 1 340.855 2.119 20 30 EEEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001089825272 777110981 /nfs/dbraw/zinc/11/09/81/777110981.db2.gz ASVLHIKBVPURQZ-VERUCKTNSA-N 2 1 348.450 2.369 20 30 EEEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997653878 790551039 /nfs/dbraw/zinc/55/10/39/790551039.db2.gz SYZUAPIKPZJVIO-AWEZNQCLSA-N 2 1 334.464 2.143 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275388 779476063 /nfs/dbraw/zinc/47/60/63/779476063.db2.gz DWELTQXEEYBQQY-YSIASYRMSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275388 779476064 /nfs/dbraw/zinc/47/60/64/779476064.db2.gz DWELTQXEEYBQQY-YSIASYRMSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275388 779476065 /nfs/dbraw/zinc/47/60/65/779476065.db2.gz DWELTQXEEYBQQY-YSIASYRMSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296252 779606184 /nfs/dbraw/zinc/60/61/84/779606184.db2.gz NITAVVRYCNDGNB-SESVDKBCSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296252 779606192 /nfs/dbraw/zinc/60/61/92/779606192.db2.gz NITAVVRYCNDGNB-SESVDKBCSA-N 2 1 343.515 2.197 20 30 EEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+]3CCC4)C[C@@]2(C)C1 ZINC000982344135 779814555 /nfs/dbraw/zinc/81/45/55/779814555.db2.gz SJZJFSYGSJKHDT-KDURUIRLSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001028334220 780787782 /nfs/dbraw/zinc/78/77/82/780787782.db2.gz YAABZNQZNFREGK-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087523022 781663859 /nfs/dbraw/zinc/66/38/59/781663859.db2.gz GQAORTXJKTZQKX-OTWHNJEPSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087523022 781663864 /nfs/dbraw/zinc/66/38/64/781663864.db2.gz GQAORTXJKTZQKX-OTWHNJEPSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087523022 781663867 /nfs/dbraw/zinc/66/38/67/781663867.db2.gz GQAORTXJKTZQKX-OTWHNJEPSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942101083 781723801 /nfs/dbraw/zinc/72/38/01/781723801.db2.gz QIHCBDREBJYNTF-ZBFHGGJFSA-N 2 1 333.501 2.273 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001105394496 781794265 /nfs/dbraw/zinc/79/42/65/781794265.db2.gz YRUUELCCAMULRX-SFHVURJKSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089893938 783772813 /nfs/dbraw/zinc/77/28/13/783772813.db2.gz QCYQNAOITAAUEY-MANSERQUSA-N 2 1 343.515 2.217 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035211382 784128604 /nfs/dbraw/zinc/12/86/04/784128604.db2.gz WRUUYILULQIUOC-UHFFFAOYSA-N 2 1 331.504 2.199 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135976505 784926130 /nfs/dbraw/zinc/92/61/30/784926130.db2.gz KNECUBRHYWWAJS-JKSUJKDBSA-N 2 1 330.476 2.273 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135977781 784929049 /nfs/dbraw/zinc/92/90/49/784929049.db2.gz ZAQXDYSIGKMOGQ-MSOLQXFVSA-N 2 1 329.488 2.253 20 30 EEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035719505 785013637 /nfs/dbraw/zinc/01/36/37/785013637.db2.gz AVLNTMQHPUCCNL-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819128604 785434006 /nfs/dbraw/zinc/43/40/06/785434006.db2.gz OSABAGDBQCKDRK-IBGZPJMESA-N 2 1 331.460 2.071 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995802912 785691579 /nfs/dbraw/zinc/69/15/79/785691579.db2.gz PNEYACHHADDRNB-LSDHHAIUSA-N 2 1 327.900 2.438 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000995926512 785825569 /nfs/dbraw/zinc/82/55/69/785825569.db2.gz WBQOTEATAUUKRG-DLBZAZTESA-N 2 1 345.512 2.172 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000995926512 785825581 /nfs/dbraw/zinc/82/55/81/785825581.db2.gz WBQOTEATAUUKRG-DLBZAZTESA-N 2 1 345.512 2.172 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991498870 789128388 /nfs/dbraw/zinc/12/83/88/789128388.db2.gz CHIBCFMQMPAPCX-AEFFLSMTSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991498870 789128392 /nfs/dbraw/zinc/12/83/92/789128392.db2.gz CHIBCFMQMPAPCX-AEFFLSMTSA-N 2 1 332.448 2.039 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC(=C)C)CC1 ZINC000997148668 789142490 /nfs/dbraw/zinc/14/24/90/789142490.db2.gz HTGUDDMGLZFNCI-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC(=C)C)CC1 ZINC000997148668 789142496 /nfs/dbraw/zinc/14/24/96/789142496.db2.gz HTGUDDMGLZFNCI-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(OC)c1 ZINC000923348365 789411257 /nfs/dbraw/zinc/41/12/57/789411257.db2.gz FDSYRCWLFUQICX-ROUUACIJSA-N 2 1 348.487 2.224 20 30 EEEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000923401086 789501516 /nfs/dbraw/zinc/50/15/16/789501516.db2.gz JBPXJIFPQICXMP-RBSFLKMASA-N 2 1 327.350 2.051 20 30 EEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000923401086 789501526 /nfs/dbraw/zinc/50/15/26/789501526.db2.gz JBPXJIFPQICXMP-RBSFLKMASA-N 2 1 327.350 2.051 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946901874 789566080 /nfs/dbraw/zinc/56/60/80/789566080.db2.gz GXVWQYCKVVEMKZ-QGFMHUBQSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946901874 789566082 /nfs/dbraw/zinc/56/60/82/789566082.db2.gz GXVWQYCKVVEMKZ-QGFMHUBQSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946901874 789566089 /nfs/dbraw/zinc/56/60/89/789566089.db2.gz GXVWQYCKVVEMKZ-QGFMHUBQSA-N 2 1 331.504 2.053 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146331318 791174870 /nfs/dbraw/zinc/17/48/70/791174870.db2.gz AIFPEUYHFFEBFN-GJZGRUSLSA-N 2 1 339.443 2.136 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000998118915 791998223 /nfs/dbraw/zinc/99/82/23/791998223.db2.gz YIAIPPQSJBQNCU-CVEARBPZSA-N 2 1 328.460 2.166 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713438 792365436 /nfs/dbraw/zinc/36/54/36/792365436.db2.gz YBFLBVPPEFRZCI-APWZRJJASA-N 2 1 345.512 2.227 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092016094 793508764 /nfs/dbraw/zinc/50/87/64/793508764.db2.gz BXAIOVYWZQJKTC-CTNGQTDRSA-N 2 1 341.499 2.371 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC2(CCOCC2)C1 ZINC001089939407 793762390 /nfs/dbraw/zinc/76/23/90/793762390.db2.gz PCUGHSVBBJKMQU-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093380328 795119442 /nfs/dbraw/zinc/11/94/42/795119442.db2.gz XTLVCPRAPIIJSW-OALUTQOASA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093383808 795126354 /nfs/dbraw/zinc/12/63/54/795126354.db2.gz PDVJMABQSBIPPY-RBUKOAKNSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001093383808 795126355 /nfs/dbraw/zinc/12/63/55/795126355.db2.gz PDVJMABQSBIPPY-RBUKOAKNSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093383808 795126358 /nfs/dbraw/zinc/12/63/58/795126358.db2.gz PDVJMABQSBIPPY-RBUKOAKNSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032724871 795254396 /nfs/dbraw/zinc/25/43/96/795254396.db2.gz FKTWJWZMQIIJHA-OALUTQOASA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249667 795288907 /nfs/dbraw/zinc/28/89/07/795288907.db2.gz MTRIGQMUEAKULB-YUELXQCFSA-N 2 1 336.867 2.197 20 30 EEEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001107998747 795346143 /nfs/dbraw/zinc/34/61/43/795346143.db2.gz QREOAANDCREGSF-ICSRJNTNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107998747 795346150 /nfs/dbraw/zinc/34/61/50/795346150.db2.gz QREOAANDCREGSF-ICSRJNTNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107998747 795346157 /nfs/dbraw/zinc/34/61/57/795346157.db2.gz QREOAANDCREGSF-ICSRJNTNSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC2CC2)CC3)CC1 ZINC001094581601 796421484 /nfs/dbraw/zinc/42/14/84/796421484.db2.gz DBRNRZWFKHOKRH-TZIWHRDSSA-N 2 1 343.515 2.102 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC2(CCOCC2)C1 ZINC001089969651 796690954 /nfs/dbraw/zinc/69/09/54/796690954.db2.gz MBMMGFLKHGJULA-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC2(CCOCC2)C1 ZINC001089969651 796690955 /nfs/dbraw/zinc/69/09/55/796690955.db2.gz MBMMGFLKHGJULA-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC2(CCOCC2)C1 ZINC001089969651 796690960 /nfs/dbraw/zinc/69/09/60/796690960.db2.gz MBMMGFLKHGJULA-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@H](OC)C1 ZINC001212465655 798643764 /nfs/dbraw/zinc/64/37/64/798643764.db2.gz QKRNUORBZUGKBG-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001212465655 798643765 /nfs/dbraw/zinc/64/37/65/798643765.db2.gz QKRNUORBZUGKBG-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001212465655 798643766 /nfs/dbraw/zinc/64/37/66/798643766.db2.gz QKRNUORBZUGKBG-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001212465655 798643768 /nfs/dbraw/zinc/64/37/68/798643768.db2.gz QKRNUORBZUGKBG-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001177320016 798858629 /nfs/dbraw/zinc/85/86/29/798858629.db2.gz YFCSNMHAEAFFTG-MOPGFXCFSA-N 2 1 349.519 2.034 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(C#N)s1 ZINC001178045728 799229579 /nfs/dbraw/zinc/22/95/79/799229579.db2.gz STDMJXLHVXGVJU-QGZVFWFLSA-N 2 1 348.516 2.480 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810615 799632092 /nfs/dbraw/zinc/63/20/92/799632092.db2.gz IXJMELKBGRVNLW-RCCFBDPRSA-N 2 1 339.524 2.326 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810615 799632098 /nfs/dbraw/zinc/63/20/98/799632098.db2.gz IXJMELKBGRVNLW-RCCFBDPRSA-N 2 1 339.524 2.326 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003624678 799905255 /nfs/dbraw/zinc/90/52/55/799905255.db2.gz UKKOTHVUBOOMBN-CQSZACIVSA-N 2 1 346.500 2.185 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003624678 799905258 /nfs/dbraw/zinc/90/52/58/799905258.db2.gz UKKOTHVUBOOMBN-CQSZACIVSA-N 2 1 346.500 2.185 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001179983216 800198936 /nfs/dbraw/zinc/19/89/36/800198936.db2.gz PHKGVYKMFULASP-KSSFIOAISA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001085250007 800287517 /nfs/dbraw/zinc/28/75/17/800287517.db2.gz BEXXDVHKDZAUHX-ARFHVFGLSA-N 2 1 330.476 2.416 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182884 800289946 /nfs/dbraw/zinc/28/99/46/800289946.db2.gz SKMSHSZYVJIXHN-BZSNNMDCSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182884 800289951 /nfs/dbraw/zinc/28/99/51/800289951.db2.gz SKMSHSZYVJIXHN-BZSNNMDCSA-N 2 1 339.524 2.257 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592474 801663990 /nfs/dbraw/zinc/66/39/90/801663990.db2.gz PGDDXCZDCOQJMV-HDICACEKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([C@@H]2CCCN2CC#N)CC1 ZINC001004456831 802116563 /nfs/dbraw/zinc/11/65/63/802116563.db2.gz ILLFKXMSCGYUDX-MOPGFXCFSA-N 2 1 346.519 2.476 20 30 EEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001184822259 802209666 /nfs/dbraw/zinc/20/96/66/802209666.db2.gz QGUIENCSCIPKLL-JKSUJKDBSA-N 2 1 330.476 2.022 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001086119355 802215840 /nfs/dbraw/zinc/21/58/40/802215840.db2.gz KPGCEONHOMRXFX-QKPAOTATSA-N 2 1 325.884 2.240 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004619350 802496528 /nfs/dbraw/zinc/49/65/28/802496528.db2.gz BSWHXPOFRAQPQF-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004619350 802496532 /nfs/dbraw/zinc/49/65/32/802496532.db2.gz BSWHXPOFRAQPQF-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004619350 802496534 /nfs/dbraw/zinc/49/65/34/802496534.db2.gz BSWHXPOFRAQPQF-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001108280449 803071309 /nfs/dbraw/zinc/07/13/09/803071309.db2.gz QQFXWVYLQORQDA-LJQANCHMSA-N 2 1 348.491 2.145 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001108280449 803071315 /nfs/dbraw/zinc/07/13/15/803071315.db2.gz QQFXWVYLQORQDA-LJQANCHMSA-N 2 1 348.491 2.145 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001108283591 803159183 /nfs/dbraw/zinc/15/91/83/803159183.db2.gz HZGDENURDKPDJD-HKUYNNGSSA-N 2 1 339.524 2.136 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001108283591 803159187 /nfs/dbraw/zinc/15/91/87/803159187.db2.gz HZGDENURDKPDJD-HKUYNNGSSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001111678644 811997892 /nfs/dbraw/zinc/99/78/92/811997892.db2.gz NRIONCXHHDCLJL-NSHGMRRFSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000807493144 812246178 /nfs/dbraw/zinc/24/61/78/812246178.db2.gz HAKRZUKLXAOYGO-NZSAHSFTSA-N 2 1 327.472 2.200 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000807493144 812246182 /nfs/dbraw/zinc/24/61/82/812246182.db2.gz HAKRZUKLXAOYGO-NZSAHSFTSA-N 2 1 327.472 2.200 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001437000774 1088753595 /nfs/dbraw/zinc/75/35/95/1088753595.db2.gz HFVLXWILHMKDKC-INIZCTEOSA-N 2 1 327.900 2.443 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001437000774 1088753604 /nfs/dbraw/zinc/75/36/04/1088753604.db2.gz HFVLXWILHMKDKC-INIZCTEOSA-N 2 1 327.900 2.443 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1ccc(C#N)s1 ZINC001437648069 1090170088 /nfs/dbraw/zinc/17/00/88/1090170088.db2.gz FOYKDFNVDFPWFC-KRWDZBQOSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1ccc(C#N)s1 ZINC001437648069 1090170093 /nfs/dbraw/zinc/17/00/93/1090170093.db2.gz FOYKDFNVDFPWFC-KRWDZBQOSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)Cc1ccc(C#N)s1 ZINC001437648069 1090170094 /nfs/dbraw/zinc/17/00/94/1090170094.db2.gz FOYKDFNVDFPWFC-KRWDZBQOSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)Cc1ccc(C#N)s1 ZINC001437648069 1090170096 /nfs/dbraw/zinc/17/00/96/1090170096.db2.gz FOYKDFNVDFPWFC-KRWDZBQOSA-N 2 1 348.516 2.432 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CCCC2)C1 ZINC001438613652 1091103393 /nfs/dbraw/zinc/10/33/93/1091103393.db2.gz RHNSEQFZHWNDJK-GOSISDBHSA-N 2 1 340.471 2.029 20 30 EEEDMP C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001441586491 1095406966 /nfs/dbraw/zinc/40/69/66/1095406966.db2.gz NIKOHPRMAFXNOD-KGLIPLIRSA-N 2 1 346.313 2.063 20 30 EEEDMP C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001441586491 1095406974 /nfs/dbraw/zinc/40/69/74/1095406974.db2.gz NIKOHPRMAFXNOD-KGLIPLIRSA-N 2 1 346.313 2.063 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480379965 1100170235 /nfs/dbraw/zinc/17/02/35/1100170235.db2.gz NYSATULWVPSJHE-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001480379965 1100170237 /nfs/dbraw/zinc/17/02/37/1100170237.db2.gz NYSATULWVPSJHE-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001480379965 1100170239 /nfs/dbraw/zinc/17/02/39/1100170239.db2.gz NYSATULWVPSJHE-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001496479450 1101071321 /nfs/dbraw/zinc/07/13/21/1101071321.db2.gz BOQWALLXQJGRGW-XJKSGUPXSA-N 2 1 327.900 2.440 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001446953640 1101650661 /nfs/dbraw/zinc/65/06/61/1101650661.db2.gz SVODNXMEYHETEP-CABCVRRESA-N 2 1 348.516 2.288 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@@H]1C ZINC001507287142 1115174849 /nfs/dbraw/zinc/17/48/49/1115174849.db2.gz DPZCHIFNLRZRFU-AEFFLSMTSA-N 2 1 349.906 2.492 20 30 EEEDMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000275203707 266122917 /nfs/dbraw/zinc/12/29/17/266122917.db2.gz GSWXSHUCDYFJSF-MRXNPFEDSA-N 2 1 328.460 2.105 20 30 EEEDMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000275203707 266122918 /nfs/dbraw/zinc/12/29/18/266122918.db2.gz GSWXSHUCDYFJSF-MRXNPFEDSA-N 2 1 328.460 2.105 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000153035780 462607680 /nfs/dbraw/zinc/60/76/80/462607680.db2.gz IPWRGHOWJLBRNI-HNNXBMFYSA-N 2 1 326.448 2.353 20 30 EEEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000264069230 464279680 /nfs/dbraw/zinc/27/96/80/464279680.db2.gz CSEIPBSNCCCNAH-KRWDZBQOSA-N 2 1 332.492 2.262 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccco1)N1CCCCC1 ZINC000264079260 464281358 /nfs/dbraw/zinc/28/13/58/464281358.db2.gz ICUZPZJDXXEOSX-DLBZAZTESA-N 2 1 347.507 2.195 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCC1(C#N)CCOCC1 ZINC000368531339 466661439 /nfs/dbraw/zinc/66/14/39/466661439.db2.gz UTIPAKFZDDHHNX-FGTMMUONSA-N 2 1 335.492 2.270 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCC1(C#N)CCOCC1 ZINC000368531342 466661577 /nfs/dbraw/zinc/66/15/77/466661577.db2.gz UTIPAKFZDDHHNX-SQNIBIBYSA-N 2 1 335.492 2.270 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccc(OC)cc2)CC1 ZINC000574911874 468132865 /nfs/dbraw/zinc/13/28/65/468132865.db2.gz HFVSPPAPUJTYJA-LJQANCHMSA-N 2 1 348.487 2.203 20 30 EEEDMP CCN(C[C@@H](C)C#N)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000566439193 468152253 /nfs/dbraw/zinc/15/22/53/468152253.db2.gz DFZGZTDMCWLMOU-INIZCTEOSA-N 2 1 334.508 2.191 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)c1 ZINC000584108678 468800803 /nfs/dbraw/zinc/80/08/03/468800803.db2.gz NUHRSHAGRRJDFX-KBAYOESNSA-N 2 1 348.487 2.236 20 30 EEEDMP N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602844354 469113429 /nfs/dbraw/zinc/11/34/29/469113429.db2.gz BRRHLTHTTIDPNS-UHFFFAOYSA-N 2 1 335.411 2.104 20 30 EEEDMP N#Cc1ccc(NC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602844354 469113433 /nfs/dbraw/zinc/11/34/33/469113433.db2.gz BRRHLTHTTIDPNS-UHFFFAOYSA-N 2 1 335.411 2.104 20 30 EEEDMP N#CC1(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCC1 ZINC000615223686 469184383 /nfs/dbraw/zinc/18/43/83/469184383.db2.gz NDNXSVWLBDFVLN-UHFFFAOYSA-N 2 1 332.492 2.137 20 30 EEEDMP C[C@@H](CCC#N)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000602549206 469357599 /nfs/dbraw/zinc/35/75/99/469357599.db2.gz SWTIIWLNVWAVFX-LPHOPBHVSA-N 2 1 342.487 2.413 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000733781588 577257892 /nfs/dbraw/zinc/25/78/92/577257892.db2.gz ZWLRIOQBFRYRGU-OTWHNJEPSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000733781588 577257893 /nfs/dbraw/zinc/25/78/93/577257893.db2.gz ZWLRIOQBFRYRGU-OTWHNJEPSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733781588 577257895 /nfs/dbraw/zinc/25/78/95/577257895.db2.gz ZWLRIOQBFRYRGU-OTWHNJEPSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733781588 577257897 /nfs/dbraw/zinc/25/78/97/577257897.db2.gz ZWLRIOQBFRYRGU-OTWHNJEPSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000750848214 577743632 /nfs/dbraw/zinc/74/36/32/577743632.db2.gz PUEJMBKBUIGRLM-SXLOBPIMSA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000750848214 577743633 /nfs/dbraw/zinc/74/36/33/577743633.db2.gz PUEJMBKBUIGRLM-SXLOBPIMSA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000750848214 577743634 /nfs/dbraw/zinc/74/36/34/577743634.db2.gz PUEJMBKBUIGRLM-SXLOBPIMSA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000750848214 577743635 /nfs/dbraw/zinc/74/36/35/577743635.db2.gz PUEJMBKBUIGRLM-SXLOBPIMSA-N 2 1 339.483 2.253 20 30 EEEDMP C=CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903969 608003534 /nfs/dbraw/zinc/00/35/34/608003534.db2.gz PMZCZVFIWOJAOL-KRWDZBQOSA-N 2 1 326.448 2.339 20 30 EEEDMP C=CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903969 608003535 /nfs/dbraw/zinc/00/35/35/608003535.db2.gz PMZCZVFIWOJAOL-KRWDZBQOSA-N 2 1 326.448 2.339 20 30 EEEDMP C=CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903969 608003536 /nfs/dbraw/zinc/00/35/36/608003536.db2.gz PMZCZVFIWOJAOL-KRWDZBQOSA-N 2 1 326.448 2.339 20 30 EEEDMP C=CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903969 608003537 /nfs/dbraw/zinc/00/35/37/608003537.db2.gz PMZCZVFIWOJAOL-KRWDZBQOSA-N 2 1 326.448 2.339 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182109 675942256 /nfs/dbraw/zinc/94/22/56/675942256.db2.gz IYDVBEAQPZMEEX-HXUWFJFHSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140241 675645171 /nfs/dbraw/zinc/64/51/71/675645171.db2.gz RDRLYVAGTNVMLC-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140241 675645173 /nfs/dbraw/zinc/64/51/73/675645173.db2.gz RDRLYVAGTNVMLC-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140241 675645175 /nfs/dbraw/zinc/64/51/75/675645175.db2.gz RDRLYVAGTNVMLC-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420224 675866991 /nfs/dbraw/zinc/86/69/91/675866991.db2.gz MREGAZPJPZZHNK-GDBMZVCRSA-N 2 1 330.476 2.157 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CCc2ccccc21)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000174049703 679661063 /nfs/dbraw/zinc/66/10/63/679661063.db2.gz ASIUBBPNADWELX-RDJZCZTQSA-N 2 1 326.488 2.366 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021680406 676336330 /nfs/dbraw/zinc/33/63/30/676336330.db2.gz BJFFUJINEFUUOY-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021680406 676336331 /nfs/dbraw/zinc/33/63/31/676336331.db2.gz BJFFUJINEFUUOY-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CC[C@@]2(CCOC2)C1 ZINC000261656917 676371266 /nfs/dbraw/zinc/37/12/66/676371266.db2.gz AGNIUYCPUNJYMH-JENIJYKNSA-N 2 1 336.524 2.327 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C(C)C)CC[C@@H]32)CC1 ZINC001021738954 676397044 /nfs/dbraw/zinc/39/70/44/676397044.db2.gz FWDPQBMAISNUIE-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CC4CC4)CC[C@H]32)CC1 ZINC001021738892 676397072 /nfs/dbraw/zinc/39/70/72/676397072.db2.gz DLKXWODBCHJCEX-WOJBJXKFSA-N 2 1 343.515 2.055 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001022070534 676634745 /nfs/dbraw/zinc/63/47/45/676634745.db2.gz WEFFKPWKXFHYDS-OTWHNJEPSA-N 2 1 340.471 2.168 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001022222440 676745482 /nfs/dbraw/zinc/74/54/82/676745482.db2.gz ZXOQFOGESROCIK-KSZLIROESA-N 2 1 345.512 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001022222440 676745484 /nfs/dbraw/zinc/74/54/84/676745484.db2.gz ZXOQFOGESROCIK-KSZLIROESA-N 2 1 345.512 2.199 20 30 EEEDMP CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479953 679962906 /nfs/dbraw/zinc/96/29/06/679962906.db2.gz VEMFNFZIBULIIH-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479953 679962916 /nfs/dbraw/zinc/96/29/16/679962916.db2.gz VEMFNFZIBULIIH-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479953 679962912 /nfs/dbraw/zinc/96/29/12/679962912.db2.gz VEMFNFZIBULIIH-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479953 679962920 /nfs/dbraw/zinc/96/29/20/679962920.db2.gz VEMFNFZIBULIIH-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479953 679962925 /nfs/dbraw/zinc/96/29/25/679962925.db2.gz VEMFNFZIBULIIH-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000984801127 685276203 /nfs/dbraw/zinc/27/62/03/685276203.db2.gz ZJTOSYBPWCNTDW-ATZDWAIDSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024517068 680022410 /nfs/dbraw/zinc/02/24/10/680022410.db2.gz QMBONULZAQPFCS-SJORKVTESA-N 2 1 330.476 2.382 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001028604179 681362260 /nfs/dbraw/zinc/36/22/60/681362260.db2.gz RFHOEZHVSKUZPJ-AEFFLSMTSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001028604179 681362265 /nfs/dbraw/zinc/36/22/65/681362265.db2.gz RFHOEZHVSKUZPJ-AEFFLSMTSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001028604179 681362270 /nfs/dbraw/zinc/36/22/70/681362270.db2.gz RFHOEZHVSKUZPJ-AEFFLSMTSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2csc(C)c2)C1 ZINC001028604179 681362274 /nfs/dbraw/zinc/36/22/74/681362274.db2.gz RFHOEZHVSKUZPJ-AEFFLSMTSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2csc(C)c2)C1 ZINC001028604179 681362278 /nfs/dbraw/zinc/36/22/78/681362278.db2.gz RFHOEZHVSKUZPJ-AEFFLSMTSA-N 2 1 345.512 2.092 20 30 EEEDMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001028635860 681451747 /nfs/dbraw/zinc/45/17/47/681451747.db2.gz HPGQAWHYISBUHL-PBHICJAKSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001024801246 681453584 /nfs/dbraw/zinc/45/35/84/681453584.db2.gz LNMKPDUCBQSIEF-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001024801246 681453586 /nfs/dbraw/zinc/45/35/86/681453586.db2.gz LNMKPDUCBQSIEF-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001024801246 681453589 /nfs/dbraw/zinc/45/35/89/681453589.db2.gz LNMKPDUCBQSIEF-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001024801246 681453592 /nfs/dbraw/zinc/45/35/92/681453592.db2.gz LNMKPDUCBQSIEF-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@]2(C)C1 ZINC000982555847 681641512 /nfs/dbraw/zinc/64/15/12/681641512.db2.gz FFKLMROHKSVGLM-ZCNNSNEGSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246949 682316046 /nfs/dbraw/zinc/31/60/46/682316046.db2.gz HWQJXJUCLDEULF-RBUKOAKNSA-N 2 1 343.515 2.484 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247255 682316219 /nfs/dbraw/zinc/31/62/19/682316219.db2.gz JYHNPFQLHQTGOK-ROUUACIJSA-N 2 1 329.488 2.094 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261232 682353909 /nfs/dbraw/zinc/35/39/09/682353909.db2.gz UHVANWJNNFAXCH-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@@H+]2CC)CC1 ZINC001025300349 682413383 /nfs/dbraw/zinc/41/33/83/682413383.db2.gz CJAYOMYFCPQVRH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC001026605457 684782158 /nfs/dbraw/zinc/78/21/58/684782158.db2.gz PTJCBGQGVWLOFS-LMDPOFIKSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974686920 685224623 /nfs/dbraw/zinc/22/46/23/685224623.db2.gz ZEZUYTOPEWTZTF-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974686920 685224626 /nfs/dbraw/zinc/22/46/26/685224626.db2.gz ZEZUYTOPEWTZTF-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974686920 685224627 /nfs/dbraw/zinc/22/46/27/685224627.db2.gz ZEZUYTOPEWTZTF-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000985646314 687376860 /nfs/dbraw/zinc/37/68/60/687376860.db2.gz JYLBKXHTTRYORY-UHFFFAOYSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000985646314 687376862 /nfs/dbraw/zinc/37/68/62/687376862.db2.gz JYLBKXHTTRYORY-UHFFFAOYSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040233295 691648669 /nfs/dbraw/zinc/64/86/69/691648669.db2.gz YGHVNFKAKXPQJY-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233295 691648670 /nfs/dbraw/zinc/64/86/70/691648670.db2.gz YGHVNFKAKXPQJY-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233295 691648673 /nfs/dbraw/zinc/64/86/73/691648673.db2.gz YGHVNFKAKXPQJY-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978144964 693331351 /nfs/dbraw/zinc/33/13/51/693331351.db2.gz NPQVWXGMPCQQRG-DSLXNQLJSA-N 2 1 331.504 2.121 20 30 EEEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978144964 693331354 /nfs/dbraw/zinc/33/13/54/693331354.db2.gz NPQVWXGMPCQQRG-DSLXNQLJSA-N 2 1 331.504 2.121 20 30 EEEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978144964 693331359 /nfs/dbraw/zinc/33/13/59/693331359.db2.gz NPQVWXGMPCQQRG-DSLXNQLJSA-N 2 1 331.504 2.121 20 30 EEEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCCCF)CC1 ZINC001754642860 1179129447 /nfs/dbraw/zinc/12/94/47/1179129447.db2.gz BMPMNKRCGVIBLO-QGZVFWFLSA-N 2 1 337.483 2.004 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001481530581 1181656461 /nfs/dbraw/zinc/65/64/61/1181656461.db2.gz HVYKHNOVBCAHNM-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001481530581 1181656466 /nfs/dbraw/zinc/65/64/66/1181656466.db2.gz HVYKHNOVBCAHNM-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001481530581 1181656469 /nfs/dbraw/zinc/65/64/69/1181656469.db2.gz HVYKHNOVBCAHNM-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001481530581 1181656472 /nfs/dbraw/zinc/65/64/72/1181656472.db2.gz HVYKHNOVBCAHNM-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001481530581 1181656475 /nfs/dbraw/zinc/65/64/75/1181656475.db2.gz HVYKHNOVBCAHNM-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[N@H+](CC)CCO2)CCC1 ZINC001105578738 1188194676 /nfs/dbraw/zinc/19/46/76/1188194676.db2.gz GDXONXIIKBRQEC-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCC1 ZINC001105578738 1188194678 /nfs/dbraw/zinc/19/46/78/1188194678.db2.gz GDXONXIIKBRQEC-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)[C@H]1C ZINC001088823874 1188594561 /nfs/dbraw/zinc/59/45/61/1188594561.db2.gz HGJTXWHRLNGOTH-KYJSFNMBSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088823874 1188594562 /nfs/dbraw/zinc/59/45/62/1188594562.db2.gz HGJTXWHRLNGOTH-KYJSFNMBSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088823874 1188594564 /nfs/dbraw/zinc/59/45/64/1188594564.db2.gz HGJTXWHRLNGOTH-KYJSFNMBSA-N 2 1 330.476 2.299 20 30 EEEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(C#N)c1 ZINC001272646577 1190955583 /nfs/dbraw/zinc/95/55/83/1190955583.db2.gz ROWRZIGDLYYKDI-FQEVSTJZSA-N 2 1 340.471 2.077 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001484983340 1191601527 /nfs/dbraw/zinc/60/15/27/1191601527.db2.gz WCCCPWDCDAHTBO-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001484983340 1191601528 /nfs/dbraw/zinc/60/15/28/1191601528.db2.gz WCCCPWDCDAHTBO-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001484983340 1191601529 /nfs/dbraw/zinc/60/15/29/1191601529.db2.gz WCCCPWDCDAHTBO-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001005397855 1195391441 /nfs/dbraw/zinc/39/14/41/1195391441.db2.gz SZFXABRLOQXNPP-QGZVFWFLSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034018481 1195640837 /nfs/dbraw/zinc/64/08/37/1195640837.db2.gz YZKAIECALJPAGL-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366109 1196155389 /nfs/dbraw/zinc/15/53/89/1196155389.db2.gz WWCFTOABLNUEFU-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366109 1196155392 /nfs/dbraw/zinc/15/53/92/1196155392.db2.gz WWCFTOABLNUEFU-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001132737472 1199965736 /nfs/dbraw/zinc/96/57/36/1199965736.db2.gz NGDNHMPZCJTTCB-MRXNPFEDSA-N 2 1 346.450 2.025 20 30 EEEDMP C#CC[N@@H+](C)CCCNCc1c(C)nn(-c2ccccn2)c1Cl ZINC000883131193 1202018236 /nfs/dbraw/zinc/01/82/36/1202018236.db2.gz NIVCSXRFMHKTKV-UHFFFAOYSA-N 2 1 331.851 2.274 20 30 EEEDMP C#CCN(C)CCC[NH2+]Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000883131193 1202018238 /nfs/dbraw/zinc/01/82/38/1202018238.db2.gz NIVCSXRFMHKTKV-UHFFFAOYSA-N 2 1 331.851 2.274 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000884141400 1202241396 /nfs/dbraw/zinc/24/13/96/1202241396.db2.gz YINFJBLABHNYSX-GOSISDBHSA-N 2 1 334.508 2.039 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000884141400 1202241397 /nfs/dbraw/zinc/24/13/97/1202241397.db2.gz YINFJBLABHNYSX-GOSISDBHSA-N 2 1 334.508 2.039 20 30 EEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(c2ccccc2)CCCC1 ZINC000104158761 1204610561 /nfs/dbraw/zinc/61/05/61/1204610561.db2.gz XIUAUPAOBANKBE-UHFFFAOYSA-N 2 1 344.503 2.125 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000890361100 1204838948 /nfs/dbraw/zinc/83/89/48/1204838948.db2.gz JUKPPIZGCNBETE-IBGZPJMESA-N 2 1 348.535 2.093 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000890361100 1204838953 /nfs/dbraw/zinc/83/89/53/1204838953.db2.gz JUKPPIZGCNBETE-IBGZPJMESA-N 2 1 348.535 2.093 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948710374 1209316559 /nfs/dbraw/zinc/31/65/59/1209316559.db2.gz APNZYKIKCKVGSJ-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710374 1209316561 /nfs/dbraw/zinc/31/65/61/1209316561.db2.gz APNZYKIKCKVGSJ-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710374 1209316563 /nfs/dbraw/zinc/31/65/63/1209316563.db2.gz APNZYKIKCKVGSJ-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)CCO2 ZINC000949188852 1209569103 /nfs/dbraw/zinc/56/91/03/1209569103.db2.gz BPSABNWGLCFSLG-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC000960880545 1216958286 /nfs/dbraw/zinc/95/82/86/1216958286.db2.gz KNUJSABPEAPJFQ-MOPGFXCFSA-N 2 1 342.487 2.321 20 30 EEEDMP C#CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961226616 1217097611 /nfs/dbraw/zinc/09/76/11/1217097611.db2.gz BXTLPGCCWGFIDT-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961226616 1217097614 /nfs/dbraw/zinc/09/76/14/1217097614.db2.gz BXTLPGCCWGFIDT-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961226616 1217097618 /nfs/dbraw/zinc/09/76/18/1217097618.db2.gz BXTLPGCCWGFIDT-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961405146 1217177523 /nfs/dbraw/zinc/17/75/23/1217177523.db2.gz JALGXNLWSIJLAO-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961405146 1217177526 /nfs/dbraw/zinc/17/75/26/1217177526.db2.gz JALGXNLWSIJLAO-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961405146 1217177527 /nfs/dbraw/zinc/17/75/27/1217177527.db2.gz JALGXNLWSIJLAO-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963327953 1217522562 /nfs/dbraw/zinc/52/25/62/1217522562.db2.gz JJJDNCJMVGSCKQ-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328370 1217524082 /nfs/dbraw/zinc/52/40/82/1217524082.db2.gz OFLMBJSYNKITAT-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963357819 1217552580 /nfs/dbraw/zinc/55/25/80/1217552580.db2.gz AGKNTCVXSBPHFO-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963357819 1217552587 /nfs/dbraw/zinc/55/25/87/1217552587.db2.gz AGKNTCVXSBPHFO-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963357819 1217552589 /nfs/dbraw/zinc/55/25/89/1217552589.db2.gz AGKNTCVXSBPHFO-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384109 1217580774 /nfs/dbraw/zinc/58/07/74/1217580774.db2.gz QIBBAAJMLJJAML-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC000963428012 1217622147 /nfs/dbraw/zinc/62/21/47/1217622147.db2.gz JHLAQQCEYXPOSB-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCC(C)C)CC[C@H]2C)CC1 ZINC000968681239 1221486968 /nfs/dbraw/zinc/48/69/68/1221486968.db2.gz HXKZIJQRJAFKEW-MJGOQNOKSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCC(=C)C)CC[C@@H]2C)CC1 ZINC000968682356 1221487463 /nfs/dbraw/zinc/48/74/63/1221487463.db2.gz QBFOYEIAKNNFRQ-HKUYNNGSSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002375 1221730962 /nfs/dbraw/zinc/73/09/62/1221730962.db2.gz ROFBOZGSRHUNCJ-ZWKOTPCHSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002375 1221730968 /nfs/dbraw/zinc/73/09/68/1221730968.db2.gz ROFBOZGSRHUNCJ-ZWKOTPCHSA-N 2 1 342.487 2.138 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002125 1221731235 /nfs/dbraw/zinc/73/12/35/1221731235.db2.gz LIFIFBRTQOFYEB-QZTJIDSGSA-N 2 1 342.487 2.138 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002125 1221731237 /nfs/dbraw/zinc/73/12/37/1221731237.db2.gz LIFIFBRTQOFYEB-QZTJIDSGSA-N 2 1 342.487 2.138 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024076 1221748512 /nfs/dbraw/zinc/74/85/12/1221748512.db2.gz YIZZHSPICXGXGH-ZWKOTPCHSA-N 2 1 342.487 2.138 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024076 1221748514 /nfs/dbraw/zinc/74/85/14/1221748514.db2.gz YIZZHSPICXGXGH-ZWKOTPCHSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100611 1221808610 /nfs/dbraw/zinc/80/86/10/1221808610.db2.gz CFXVTBBDJHRCPU-LJQANCHMSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016923034 1226972994 /nfs/dbraw/zinc/97/29/94/1226972994.db2.gz HILGILVHOVEVBF-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn2c(n1)CCCC2 ZINC001017568840 1227529255 /nfs/dbraw/zinc/52/92/55/1227529255.db2.gz HMAQHCGSBDIQFD-CALCHBBNSA-N 2 1 328.460 2.013 20 30 EEEDMP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn2c(n1)CCCC2 ZINC001017568840 1227529262 /nfs/dbraw/zinc/52/92/62/1227529262.db2.gz HMAQHCGSBDIQFD-CALCHBBNSA-N 2 1 328.460 2.013 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001017616858 1227575581 /nfs/dbraw/zinc/57/55/81/1227575581.db2.gz FGMVRSRTCCTHIC-IXDOHACOSA-N 2 1 328.460 2.402 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001017616858 1227575584 /nfs/dbraw/zinc/57/55/84/1227575584.db2.gz FGMVRSRTCCTHIC-IXDOHACOSA-N 2 1 328.460 2.402 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039128137 1230336172 /nfs/dbraw/zinc/33/61/72/1230336172.db2.gz VGKWAUCWTVGLSF-IRXDYDNUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039128137 1230336177 /nfs/dbraw/zinc/33/61/77/1230336177.db2.gz VGKWAUCWTVGLSF-IRXDYDNUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039128137 1230336181 /nfs/dbraw/zinc/33/61/81/1230336181.db2.gz VGKWAUCWTVGLSF-IRXDYDNUSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC001039156082 1230376298 /nfs/dbraw/zinc/37/62/98/1230376298.db2.gz XOHRNOKMDBSDEA-QGZVFWFLSA-N 2 1 343.471 2.149 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039236942 1230469675 /nfs/dbraw/zinc/46/96/75/1230469675.db2.gz DSYCAAZUEUPNIR-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295323 1231156557 /nfs/dbraw/zinc/15/65/57/1231156557.db2.gz CQWKIQBCZAFAQZ-HXUWFJFHSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001040393733 1231204902 /nfs/dbraw/zinc/20/49/02/1231204902.db2.gz DCCURYUAFKGHFU-PMACEKPBSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001040393733 1231204903 /nfs/dbraw/zinc/20/49/03/1231204903.db2.gz DCCURYUAFKGHFU-PMACEKPBSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001040393733 1231204905 /nfs/dbraw/zinc/20/49/05/1231204905.db2.gz DCCURYUAFKGHFU-PMACEKPBSA-N 2 1 349.494 2.147 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040528091 1231277553 /nfs/dbraw/zinc/27/75/53/1231277553.db2.gz JMSIGTHVPIYCEF-WBVHZDCISA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040528091 1231277555 /nfs/dbraw/zinc/27/75/55/1231277555.db2.gz JMSIGTHVPIYCEF-WBVHZDCISA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040528091 1231277557 /nfs/dbraw/zinc/27/75/57/1231277557.db2.gz JMSIGTHVPIYCEF-WBVHZDCISA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040528091 1231277559 /nfs/dbraw/zinc/27/75/59/1231277559.db2.gz JMSIGTHVPIYCEF-WBVHZDCISA-N 2 1 325.884 2.005 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](C(C)C)C3)CC1 ZINC001040542768 1231284287 /nfs/dbraw/zinc/28/42/87/1231284287.db2.gz LIDVBGUOHRHOKR-HXUWFJFHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001040543931 1231285087 /nfs/dbraw/zinc/28/50/87/1231285087.db2.gz RRHTVWZVFSGYCF-NRFANRHFSA-N 2 1 339.483 2.310 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001040545076 1231285857 /nfs/dbraw/zinc/28/58/57/1231285857.db2.gz MQJOZDWEEWOQRV-OAQYLSRUSA-N 2 1 339.483 2.310 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC001041368527 1231521488 /nfs/dbraw/zinc/52/14/88/1231521488.db2.gz PFEDTHIXJDXVEZ-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC001041368527 1231521491 /nfs/dbraw/zinc/52/14/91/1231521491.db2.gz PFEDTHIXJDXVEZ-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001041368527 1231521493 /nfs/dbraw/zinc/52/14/93/1231521493.db2.gz PFEDTHIXJDXVEZ-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001041368527 1231521495 /nfs/dbraw/zinc/52/14/95/1231521495.db2.gz PFEDTHIXJDXVEZ-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844455 1231728146 /nfs/dbraw/zinc/72/81/46/1231728146.db2.gz IUFZHBQEMIEXID-FQEVSTJZSA-N 2 1 327.472 2.472 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042260853 1231988430 /nfs/dbraw/zinc/98/84/30/1231988430.db2.gz XWQRWXSCDRQUHO-IRXDYDNUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042260853 1231988432 /nfs/dbraw/zinc/98/84/32/1231988432.db2.gz XWQRWXSCDRQUHO-IRXDYDNUSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=C)Cl)[C@@H]3C2)CC1 ZINC001042367072 1232049273 /nfs/dbraw/zinc/04/92/73/1232049273.db2.gz AGHDXTAASJPNOT-FUHWJXTLSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CC(=C)Cl)[C@@H]3C2)CC1 ZINC001042367072 1232049275 /nfs/dbraw/zinc/04/92/75/1232049275.db2.gz AGHDXTAASJPNOT-FUHWJXTLSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001045073680 1233485594 /nfs/dbraw/zinc/48/55/94/1233485594.db2.gz NGFXDMHWYSKMKX-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001045073680 1233485598 /nfs/dbraw/zinc/48/55/98/1233485598.db2.gz NGFXDMHWYSKMKX-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441250 1233747521 /nfs/dbraw/zinc/74/75/21/1233747521.db2.gz BTLBROSBSBSQPJ-QGZVFWFLSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001045944785 1234205487 /nfs/dbraw/zinc/20/54/87/1234205487.db2.gz IKKZKVDNOVKFSN-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001045944785 1234205490 /nfs/dbraw/zinc/20/54/90/1234205490.db2.gz IKKZKVDNOVKFSN-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045944785 1234205492 /nfs/dbraw/zinc/20/54/92/1234205492.db2.gz IKKZKVDNOVKFSN-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045944785 1234205496 /nfs/dbraw/zinc/20/54/96/1234205496.db2.gz IKKZKVDNOVKFSN-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045951250 1234217720 /nfs/dbraw/zinc/21/77/20/1234217720.db2.gz BZPAULZCLMHXLJ-TZIWHRDSSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980176 1234270617 /nfs/dbraw/zinc/27/06/17/1234270617.db2.gz SHFXRBZUCBISAI-IBGZPJMESA-N 2 1 331.504 2.363 20 30 EEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046477653 1234847903 /nfs/dbraw/zinc/84/79/03/1234847903.db2.gz UWQGRMFKJXOXAD-SFHVURJKSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046624925 1235007298 /nfs/dbraw/zinc/00/72/98/1235007298.db2.gz DJHLGOIQEHWUSG-IBGZPJMESA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046624925 1235007303 /nfs/dbraw/zinc/00/73/03/1235007303.db2.gz DJHLGOIQEHWUSG-IBGZPJMESA-N 2 1 346.475 2.431 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538558 1237908711 /nfs/dbraw/zinc/90/87/11/1237908711.db2.gz ZUKPDZIEAYBMFZ-OBKDMQGPSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048538558 1237908718 /nfs/dbraw/zinc/90/87/18/1237908718.db2.gz ZUKPDZIEAYBMFZ-OBKDMQGPSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048538558 1237908729 /nfs/dbraw/zinc/90/87/29/1237908729.db2.gz ZUKPDZIEAYBMFZ-OBKDMQGPSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820349 1238739797 /nfs/dbraw/zinc/73/97/97/1238739797.db2.gz GEODWNDXOMVUKV-QRVBRYPASA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820349 1238739807 /nfs/dbraw/zinc/73/98/07/1238739807.db2.gz GEODWNDXOMVUKV-QRVBRYPASA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820349 1238739815 /nfs/dbraw/zinc/73/98/15/1238739815.db2.gz GEODWNDXOMVUKV-QRVBRYPASA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049913147 1242674042 /nfs/dbraw/zinc/67/40/42/1242674042.db2.gz BQEWPQFASDACSP-IPMKNSEASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=C)Cl)CC1 ZINC001049916250 1242696548 /nfs/dbraw/zinc/69/65/48/1242696548.db2.gz FFBBKQBAWHOGPX-MSOLQXFVSA-N 2 1 349.906 2.149 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=C)Cl)CC1 ZINC001049916250 1242696562 /nfs/dbraw/zinc/69/65/62/1242696562.db2.gz FFBBKQBAWHOGPX-MSOLQXFVSA-N 2 1 349.906 2.149 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC001050264287 1243211705 /nfs/dbraw/zinc/21/17/05/1243211705.db2.gz WFVFTOGHVLSXON-JXFKEZNVSA-N 2 1 339.483 2.461 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC001050264287 1243211712 /nfs/dbraw/zinc/21/17/12/1243211712.db2.gz WFVFTOGHVLSXON-JXFKEZNVSA-N 2 1 339.483 2.461 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050687191 1244128259 /nfs/dbraw/zinc/12/82/59/1244128259.db2.gz IEMGGKBTKXFLJO-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857101 1245395807 /nfs/dbraw/zinc/39/58/07/1245395807.db2.gz HZBWMRUEUIYLRD-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313634 1245645638 /nfs/dbraw/zinc/64/56/38/1245645638.db2.gz HEJQWLAUGFHLDB-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339788 1245684335 /nfs/dbraw/zinc/68/43/35/1245684335.db2.gz GKYGFYNXHLKLGN-GNBUJSLZSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339788 1245684343 /nfs/dbraw/zinc/68/43/43/1245684343.db2.gz GKYGFYNXHLKLGN-GNBUJSLZSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339788 1245684350 /nfs/dbraw/zinc/68/43/50/1245684350.db2.gz GKYGFYNXHLKLGN-GNBUJSLZSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053039275 1245741754 /nfs/dbraw/zinc/74/17/54/1245741754.db2.gz DLQQLCIYHYZNOY-VQTJNVASSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CCCn3ccnc3C)C[C@]2(C)C1 ZINC001101393698 1245758128 /nfs/dbraw/zinc/75/81/28/1245758128.db2.gz ALYSFDFQBVHUQP-MJGOQNOKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101393698 1245758133 /nfs/dbraw/zinc/75/81/33/1245758133.db2.gz ALYSFDFQBVHUQP-MJGOQNOKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101393698 1245758139 /nfs/dbraw/zinc/75/81/39/1245758139.db2.gz ALYSFDFQBVHUQP-MJGOQNOKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001054061148 1247273757 /nfs/dbraw/zinc/27/37/57/1247273757.db2.gz VOFFBDOEWHKUCK-RTBURBONSA-N 2 1 327.472 2.057 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054061148 1247273767 /nfs/dbraw/zinc/27/37/67/1247273767.db2.gz VOFFBDOEWHKUCK-RTBURBONSA-N 2 1 327.472 2.057 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054061148 1247273775 /nfs/dbraw/zinc/27/37/75/1247273775.db2.gz VOFFBDOEWHKUCK-RTBURBONSA-N 2 1 327.472 2.057 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054141691 1247505024 /nfs/dbraw/zinc/50/50/24/1247505024.db2.gz NRNREIGVGYMRBV-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141691 1247505037 /nfs/dbraw/zinc/50/50/37/1247505037.db2.gz NRNREIGVGYMRBV-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141691 1247505050 /nfs/dbraw/zinc/50/50/50/1247505050.db2.gz NRNREIGVGYMRBV-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209728 1247726108 /nfs/dbraw/zinc/72/61/08/1247726108.db2.gz WKZUGDGJKOYBPE-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209728 1247726113 /nfs/dbraw/zinc/72/61/13/1247726113.db2.gz WKZUGDGJKOYBPE-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209728 1247726119 /nfs/dbraw/zinc/72/61/19/1247726119.db2.gz WKZUGDGJKOYBPE-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](CCCC)C3)C2)CC1 ZINC001054244582 1247857972 /nfs/dbraw/zinc/85/79/72/1247857972.db2.gz HLIKRFOBQZDSNO-NRFANRHFSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CCCF)C2 ZINC001054269165 1247953453 /nfs/dbraw/zinc/95/34/53/1247953453.db2.gz OTGTWSYCAAIOMT-IBGZPJMESA-N 2 1 343.446 2.076 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CCCF)C2 ZINC001054269165 1247953466 /nfs/dbraw/zinc/95/34/66/1247953466.db2.gz OTGTWSYCAAIOMT-IBGZPJMESA-N 2 1 343.446 2.076 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CCCF)C2 ZINC001054269165 1247953478 /nfs/dbraw/zinc/95/34/78/1247953478.db2.gz OTGTWSYCAAIOMT-IBGZPJMESA-N 2 1 343.446 2.076 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CCCF)C2 ZINC001054269165 1247953488 /nfs/dbraw/zinc/95/34/88/1247953488.db2.gz OTGTWSYCAAIOMT-IBGZPJMESA-N 2 1 343.446 2.076 20 30 EEEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)C34CCC[NH+]3CCC4)cc2C1 ZINC001054272915 1247969608 /nfs/dbraw/zinc/96/96/08/1247969608.db2.gz KRDJVURGPMQZKG-UHFFFAOYSA-N 2 1 337.467 2.270 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071828680 1254691653 /nfs/dbraw/zinc/69/16/53/1254691653.db2.gz SIBQXQDAZMSEKQ-PXNSSMCTSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001074314531 1256907788 /nfs/dbraw/zinc/90/77/88/1256907788.db2.gz HGAKPPWSCVZUOM-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001074314531 1256907793 /nfs/dbraw/zinc/90/77/93/1256907793.db2.gz HGAKPPWSCVZUOM-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001192366962 1281951883 /nfs/dbraw/zinc/95/18/83/1281951883.db2.gz JIROWZHHLRUHLO-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001192366962 1281951886 /nfs/dbraw/zinc/95/18/86/1281951886.db2.gz JIROWZHHLRUHLO-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCCCC=C)CC1 ZINC001196191948 1283926067 /nfs/dbraw/zinc/92/60/67/1283926067.db2.gz QUBLVRYBWSSOEP-IBGZPJMESA-N 2 1 331.504 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCCCC=C)CC1 ZINC001196191948 1283926073 /nfs/dbraw/zinc/92/60/73/1283926073.db2.gz QUBLVRYBWSSOEP-IBGZPJMESA-N 2 1 331.504 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCCCC=C)CC1 ZINC001196191948 1283926077 /nfs/dbraw/zinc/92/60/77/1283926077.db2.gz QUBLVRYBWSSOEP-IBGZPJMESA-N 2 1 331.504 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCCCC=C)CC1 ZINC001196191948 1283926079 /nfs/dbraw/zinc/92/60/79/1283926079.db2.gz QUBLVRYBWSSOEP-IBGZPJMESA-N 2 1 331.504 2.365 20 30 EEEDMP C=CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1OC ZINC001198759129 1285344214 /nfs/dbraw/zinc/34/42/14/1285344214.db2.gz BWEULESUXBRDGS-QGZVFWFLSA-N 2 1 331.460 2.112 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001071693467 1294747005 /nfs/dbraw/zinc/74/70/05/1294747005.db2.gz RDTDKNIOYKRGRS-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001071693467 1294747009 /nfs/dbraw/zinc/74/70/09/1294747009.db2.gz RDTDKNIOYKRGRS-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211429644 1295895653 /nfs/dbraw/zinc/89/56/53/1295895653.db2.gz XWYZXVYDIICGMF-GDBMZVCRSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211429644 1295895662 /nfs/dbraw/zinc/89/56/62/1295895662.db2.gz XWYZXVYDIICGMF-GDBMZVCRSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001073116380 1296538419 /nfs/dbraw/zinc/53/84/19/1296538419.db2.gz NAYQXFSRULNRNP-UHFFFAOYSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CC2CCCC2)C3)CC1 ZINC001073455525 1297081989 /nfs/dbraw/zinc/08/19/89/1297081989.db2.gz JUAURFZAHCMVOV-UHFFFAOYSA-N 2 1 343.515 2.056 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001218305228 1297628262 /nfs/dbraw/zinc/62/82/62/1297628262.db2.gz BVIKSSZTZOFFQG-ZWKOTPCHSA-N 2 1 348.491 2.074 20 30 EEEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001218305228 1297628273 /nfs/dbraw/zinc/62/82/73/1297628273.db2.gz BVIKSSZTZOFFQG-ZWKOTPCHSA-N 2 1 348.491 2.074 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001099522215 1299184344 /nfs/dbraw/zinc/18/43/44/1299184344.db2.gz VJUKTGQQGMXANE-VJANTYMQSA-N 2 1 345.531 2.463 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCCCC)C[C@H]32)CC1 ZINC001222046747 1299301399 /nfs/dbraw/zinc/30/13/99/1299301399.db2.gz UCDQRIINJXAESC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222694129 1299797375 /nfs/dbraw/zinc/79/73/75/1299797375.db2.gz PBRGJEXOIKWJLX-QYZOEREBSA-N 2 1 331.504 2.217 20 30 EEEDMP N#CC1(NC(=O)[C@@H]2CCC[C@]23CC[N@@H+](CC2CC[NH2+]CC2)C3)CCC1 ZINC001277821087 1304659806 /nfs/dbraw/zinc/65/98/06/1304659806.db2.gz CRXJKVBYFKLLKC-PKOBYXMFSA-N 2 1 344.503 2.041 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000799010543 1305132975 /nfs/dbraw/zinc/13/29/75/1305132975.db2.gz GIYKPNXJHNNKBF-FPOVZHCZSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000799010543 1305132980 /nfs/dbraw/zinc/13/29/80/1305132980.db2.gz GIYKPNXJHNNKBF-FPOVZHCZSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799010543 1305132988 /nfs/dbraw/zinc/13/29/88/1305132988.db2.gz GIYKPNXJHNNKBF-FPOVZHCZSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799010543 1305132995 /nfs/dbraw/zinc/13/29/95/1305132995.db2.gz GIYKPNXJHNNKBF-FPOVZHCZSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001235453601 1305237844 /nfs/dbraw/zinc/23/78/44/1305237844.db2.gz DEFXEHHCWFVLTE-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC(C)(C)C ZINC001235453601 1305237849 /nfs/dbraw/zinc/23/78/49/1305237849.db2.gz DEFXEHHCWFVLTE-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC(C)(C)C ZINC001235453601 1305237854 /nfs/dbraw/zinc/23/78/54/1305237854.db2.gz DEFXEHHCWFVLTE-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC(C)(C)C ZINC001235453601 1305237860 /nfs/dbraw/zinc/23/78/60/1305237860.db2.gz DEFXEHHCWFVLTE-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCCCC1 ZINC001115696058 1305627062 /nfs/dbraw/zinc/62/70/62/1305627062.db2.gz DPUNGOFMGWULIJ-INIZCTEOSA-N 2 1 330.476 2.349 20 30 EEEDMP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246023544 1310212613 /nfs/dbraw/zinc/21/26/13/1310212613.db2.gz CVMVQXPJGVJPDF-QYZOEREBSA-N 2 1 326.525 2.392 20 30 EEEDMP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001151027649 1316433460 /nfs/dbraw/zinc/43/34/60/1316433460.db2.gz ZHWYJJOIZUTEOP-QGZVFWFLSA-N 2 1 337.508 2.034 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153829135 1316894494 /nfs/dbraw/zinc/89/44/94/1316894494.db2.gz ZQHYOZHLSGZWIJ-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001153998288 1316933092 /nfs/dbraw/zinc/93/30/92/1316933092.db2.gz MOTGYSPEXOSUPR-VQIMIIECSA-N 2 1 347.478 2.344 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)s1)[NH+](C)C ZINC001155289153 1317539151 /nfs/dbraw/zinc/53/91/51/1317539151.db2.gz LVZVSIHKZKNJQP-CJNGLKHVSA-N 2 1 336.505 2.287 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001155289059 1317539398 /nfs/dbraw/zinc/53/93/98/1317539398.db2.gz IJGJVHQZJFWRIC-KDOFPFPSSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001155289059 1317539401 /nfs/dbraw/zinc/53/94/01/1317539401.db2.gz IJGJVHQZJFWRIC-KDOFPFPSSA-N 2 1 348.466 2.364 20 30 EEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001155394424 1317578029 /nfs/dbraw/zinc/57/80/29/1317578029.db2.gz MCPUWOXARZUHBY-QRQLOZEOSA-N 2 1 329.488 2.344 20 30 EEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001155394424 1317578036 /nfs/dbraw/zinc/57/80/36/1317578036.db2.gz MCPUWOXARZUHBY-QRQLOZEOSA-N 2 1 329.488 2.344 20 30 EEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001155394424 1317578037 /nfs/dbraw/zinc/57/80/37/1317578037.db2.gz MCPUWOXARZUHBY-QRQLOZEOSA-N 2 1 329.488 2.344 20 30 EEEDMP C=CCOC[C@@H](O)C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001252470256 1317610125 /nfs/dbraw/zinc/61/01/25/1317610125.db2.gz JHCSOCJWBVBJGW-FQEVSTJZSA-N 2 1 332.488 2.394 20 30 EEEDMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3[C@H]2CC[C@H](C#N)C2)CC1 ZINC001254663003 1318160013 /nfs/dbraw/zinc/16/00/13/1318160013.db2.gz NJKWNCHYPNSSHN-INDMIFKZSA-N 2 1 344.503 2.086 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001157886647 1318917387 /nfs/dbraw/zinc/91/73/87/1318917387.db2.gz JTYFCGPQFJDILE-LJQANCHMSA-N 2 1 345.462 2.146 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1cn2c(n1)CCCC2 ZINC001157981726 1318958195 /nfs/dbraw/zinc/95/81/95/1318958195.db2.gz HXUUJBREIGYRCJ-QGZVFWFLSA-N 2 1 330.476 2.261 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160359894 1320144086 /nfs/dbraw/zinc/14/40/86/1320144086.db2.gz FILVEKUPUNRJSI-LJQANCHMSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160359894 1320144088 /nfs/dbraw/zinc/14/40/88/1320144088.db2.gz FILVEKUPUNRJSI-LJQANCHMSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160359894 1320144090 /nfs/dbraw/zinc/14/40/90/1320144090.db2.gz FILVEKUPUNRJSI-LJQANCHMSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161028016 1320360227 /nfs/dbraw/zinc/36/02/27/1320360227.db2.gz DNMYQMZLAFBSHK-UHFFFAOYSA-N 2 1 329.444 2.117 20 30 EEEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207484582 1323991712 /nfs/dbraw/zinc/99/17/12/1323991712.db2.gz QKXGPBCCCGTDMH-SFHVURJKSA-N 2 1 332.492 2.254 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001208331699 1324432151 /nfs/dbraw/zinc/43/21/51/1324432151.db2.gz VZDVOCIQKLRAIV-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210182994 1325195432 /nfs/dbraw/zinc/19/54/32/1325195432.db2.gz JXCIKLYKHHZVIW-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(SC)cc2)CC1 ZINC001338491697 1336867980 /nfs/dbraw/zinc/86/79/80/1336867980.db2.gz MJICUNQVOBNIRQ-QGZVFWFLSA-N 2 1 348.512 2.226 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001100466251 1338402357 /nfs/dbraw/zinc/40/23/57/1338402357.db2.gz FPBUSFYWNOYYNZ-NFOMZHRRSA-N 2 1 334.464 2.189 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200722385 1338550524 /nfs/dbraw/zinc/55/05/24/1338550524.db2.gz WJKQWAZPKSMFRM-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001670214262 1356297758 /nfs/dbraw/zinc/29/77/58/1356297758.db2.gz ZYJIPZSSBGOGQQ-INIZCTEOSA-N 2 1 334.489 2.042 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001112444313 1371443752 /nfs/dbraw/zinc/44/37/52/1371443752.db2.gz PEGNPBVCQIPIGH-ZVDOUQERSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCc1cccc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)c1O ZINC001138628994 1372406347 /nfs/dbraw/zinc/40/63/47/1372406347.db2.gz KHOVOBIJEIXMOY-UHFFFAOYSA-N 2 1 334.460 2.438 20 30 EEEDMP C=CCc1cccc(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)c1O ZINC001138628994 1372406353 /nfs/dbraw/zinc/40/63/53/1372406353.db2.gz KHOVOBIJEIXMOY-UHFFFAOYSA-N 2 1 334.460 2.438 20 30 EEEDMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1ccc(C#N)s1 ZINC001372726210 1376167090 /nfs/dbraw/zinc/16/70/90/1376167090.db2.gz ICGKHMPCAPJGNI-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1ccc(C#N)s1 ZINC001372726210 1376167093 /nfs/dbraw/zinc/16/70/93/1376167093.db2.gz ICGKHMPCAPJGNI-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001379676257 1380813993 /nfs/dbraw/zinc/81/39/93/1380813993.db2.gz FFDFHGJXJVDCOW-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001379676257 1380813999 /nfs/dbraw/zinc/81/39/99/1380813999.db2.gz FFDFHGJXJVDCOW-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001381789038 1381800900 /nfs/dbraw/zinc/80/09/00/1381800900.db2.gz QZTPSHITQPJJMS-CYBMUJFWSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001381789038 1381800904 /nfs/dbraw/zinc/80/09/04/1381800904.db2.gz QZTPSHITQPJJMS-CYBMUJFWSA-N 2 1 346.500 2.041 20 30 EEEDMP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](Cc1ccc(C#N)s1)C1CC1 ZINC001400020871 1395819011 /nfs/dbraw/zinc/81/90/11/1395819011.db2.gz RDCBAMAPVLNTIV-QGZVFWFLSA-N 2 1 346.500 2.185 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](Cc1ccc(C#N)s1)C1CC1 ZINC001400020871 1395819019 /nfs/dbraw/zinc/81/90/19/1395819019.db2.gz RDCBAMAPVLNTIV-QGZVFWFLSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC001400020871 1395819022 /nfs/dbraw/zinc/81/90/22/1395819022.db2.gz RDCBAMAPVLNTIV-QGZVFWFLSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](Cc1ccc(C#N)s1)C1CC1 ZINC001400020871 1395819029 /nfs/dbraw/zinc/81/90/29/1395819029.db2.gz RDCBAMAPVLNTIV-QGZVFWFLSA-N 2 1 346.500 2.185 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001401285746 1397120612 /nfs/dbraw/zinc/12/06/12/1397120612.db2.gz AVDDZKXTCCECTH-GXTWGEPZSA-N 2 1 346.313 2.063 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC=C ZINC001754865671 1406970126 /nfs/dbraw/zinc/97/01/26/1406970126.db2.gz PAUYSKMZOBMJNS-QYZOEREBSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC=C ZINC001754865671 1406970130 /nfs/dbraw/zinc/97/01/30/1406970130.db2.gz PAUYSKMZOBMJNS-QYZOEREBSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC=C ZINC001754865671 1406970134 /nfs/dbraw/zinc/97/01/34/1406970134.db2.gz PAUYSKMZOBMJNS-QYZOEREBSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC=C ZINC001754865671 1406970140 /nfs/dbraw/zinc/97/01/40/1406970140.db2.gz PAUYSKMZOBMJNS-QYZOEREBSA-N 2 1 329.488 2.116 20 30 EEEDMP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001422524011 1399984337 /nfs/dbraw/zinc/98/43/37/1399984337.db2.gz AHVUYYZACRUWSY-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001755075214 1407085638 /nfs/dbraw/zinc/08/56/38/1407085638.db2.gz BTUQVODZEXIKLT-LJQANCHMSA-N 2 1 329.488 2.447 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001755075214 1407085642 /nfs/dbraw/zinc/08/56/42/1407085642.db2.gz BTUQVODZEXIKLT-LJQANCHMSA-N 2 1 329.488 2.447 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001755075214 1407085643 /nfs/dbraw/zinc/08/56/43/1407085643.db2.gz BTUQVODZEXIKLT-LJQANCHMSA-N 2 1 329.488 2.447 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001755075214 1407085645 /nfs/dbraw/zinc/08/56/45/1407085645.db2.gz BTUQVODZEXIKLT-LJQANCHMSA-N 2 1 329.488 2.447 20 30 EEEDMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001425049470 1401411391 /nfs/dbraw/zinc/41/13/91/1401411391.db2.gz GGXPQQQPHJFGRL-OAHLLOKOSA-N 2 1 348.516 2.288 20 30 EEEDMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001425049470 1401411393 /nfs/dbraw/zinc/41/13/93/1401411393.db2.gz GGXPQQQPHJFGRL-OAHLLOKOSA-N 2 1 348.516 2.288 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001755741037 1407800671 /nfs/dbraw/zinc/80/06/71/1407800671.db2.gz CZQDZTAALJNIMS-VQTJNVASSA-N 2 1 341.499 2.059 20 30 EEEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000691565046 1410396855 /nfs/dbraw/zinc/39/68/55/1410396855.db2.gz WVMGCZONESFSEJ-OALUTQOASA-N 2 1 342.487 2.426 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](O)C1 ZINC001100038700 1410514889 /nfs/dbraw/zinc/51/48/89/1410514889.db2.gz LTCHHBRXWSGISP-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038700 1410514891 /nfs/dbraw/zinc/51/48/91/1410514891.db2.gz LTCHHBRXWSGISP-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038700 1410514894 /nfs/dbraw/zinc/51/48/94/1410514894.db2.gz LTCHHBRXWSGISP-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C(Br)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001100459291 1410655595 /nfs/dbraw/zinc/65/55/95/1410655595.db2.gz ZBUOERSKGPYEMJ-UHFFFAOYSA-N 2 1 346.313 2.110 20 30 EEEDMP N#Cc1ccc(Oc2ccc(C[NH+]3CCN(CC[NH3+])CC3)cc2)cc1 ZINC001209976080 757586929 /nfs/dbraw/zinc/58/69/29/757586929.db2.gz CFXRWCFVERNSIZ-UHFFFAOYSA-N 2 1 336.439 2.427 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211627539 761261836 /nfs/dbraw/zinc/26/18/36/761261836.db2.gz JZMHPPMNTUXGIN-RBUKOAKNSA-N 2 1 341.499 2.324 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430381 769089730 /nfs/dbraw/zinc/08/97/30/769089730.db2.gz MEMYNEMDRFQTOA-QGZVFWFLSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445044 769263221 /nfs/dbraw/zinc/26/32/21/769263221.db2.gz CRKMZUOQCWLTPA-RBUKOAKNSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001088014176 782768557 /nfs/dbraw/zinc/76/85/57/782768557.db2.gz JADYZEFLWMMSSP-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001088014176 782768567 /nfs/dbraw/zinc/76/85/67/782768567.db2.gz JADYZEFLWMMSSP-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088014176 782768575 /nfs/dbraw/zinc/76/85/75/782768575.db2.gz JADYZEFLWMMSSP-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088014176 782768576 /nfs/dbraw/zinc/76/85/76/782768576.db2.gz JADYZEFLWMMSSP-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4nccn43)C[C@H]2C1 ZINC000980143840 773940322 /nfs/dbraw/zinc/94/03/22/773940322.db2.gz PARPWRBULUDRQQ-YESZJQIVSA-N 2 1 336.439 2.188 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980238260 774171446 /nfs/dbraw/zinc/17/14/46/774171446.db2.gz JAXIOFRSUMBXBK-HRCADAONSA-N 2 1 336.867 2.161 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980238260 774171449 /nfs/dbraw/zinc/17/14/49/774171449.db2.gz JAXIOFRSUMBXBK-HRCADAONSA-N 2 1 336.867 2.161 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001031742334 774202857 /nfs/dbraw/zinc/20/28/57/774202857.db2.gz BFJSBIYRHSDVED-UXHICEINSA-N 2 1 339.483 2.283 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001031742334 774202859 /nfs/dbraw/zinc/20/28/59/774202859.db2.gz BFJSBIYRHSDVED-UXHICEINSA-N 2 1 339.483 2.283 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033256534 783180505 /nfs/dbraw/zinc/18/05/05/783180505.db2.gz WLMZOGGPPPGTPU-KRWDZBQOSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC000980477110 774700580 /nfs/dbraw/zinc/70/05/80/774700580.db2.gz AJKKRLNRAVCJKY-IBGZPJMESA-N 2 1 345.531 2.301 20 30 EEEDMP CN1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1CC#Cc1ccccc1 ZINC001027971945 775449133 /nfs/dbraw/zinc/44/91/33/775449133.db2.gz OCWPOEYSDKWOOP-WOJBJXKFSA-N 2 1 339.483 2.103 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000981334714 777191172 /nfs/dbraw/zinc/19/11/72/777191172.db2.gz ODNWTOJWSIAWIV-LSDHHAIUSA-N 2 1 327.900 2.488 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(CC)CC)C2 ZINC000981819262 778262640 /nfs/dbraw/zinc/26/26/40/778262640.db2.gz VAQBLTGPHJSPOF-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(CC)CC)C2 ZINC000981819262 778262644 /nfs/dbraw/zinc/26/26/44/778262644.db2.gz VAQBLTGPHJSPOF-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC(CC)CC)C2 ZINC000981819262 778262650 /nfs/dbraw/zinc/26/26/50/778262650.db2.gz VAQBLTGPHJSPOF-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC(CC)CC)C2 ZINC000981819262 778262659 /nfs/dbraw/zinc/26/26/59/778262659.db2.gz VAQBLTGPHJSPOF-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089858448 778465352 /nfs/dbraw/zinc/46/53/52/778465352.db2.gz AVOBTIRLTHXTIR-OKYOBFRVSA-N 2 1 345.531 2.463 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001089858448 778465358 /nfs/dbraw/zinc/46/53/58/778465358.db2.gz AVOBTIRLTHXTIR-OKYOBFRVSA-N 2 1 345.531 2.463 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001089858448 778465364 /nfs/dbraw/zinc/46/53/64/778465364.db2.gz AVOBTIRLTHXTIR-OKYOBFRVSA-N 2 1 345.531 2.463 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982281476 779527755 /nfs/dbraw/zinc/52/77/55/779527755.db2.gz YNEXLFOTNTZHDT-BGYRXZFFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4nccn43)C[C@@]2(C)C1 ZINC000982295961 779605574 /nfs/dbraw/zinc/60/55/74/779605574.db2.gz HPHGYXJFLAYKMH-LZQZEXGQSA-N 2 1 328.460 2.117 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982295961 779605577 /nfs/dbraw/zinc/60/55/77/779605577.db2.gz HPHGYXJFLAYKMH-LZQZEXGQSA-N 2 1 328.460 2.117 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982295961 779605580 /nfs/dbraw/zinc/60/55/80/779605580.db2.gz HPHGYXJFLAYKMH-LZQZEXGQSA-N 2 1 328.460 2.117 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982305995 779657948 /nfs/dbraw/zinc/65/79/48/779657948.db2.gz CLUDEUJVPXXXLL-UKAVVXHISA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982305995 779657953 /nfs/dbraw/zinc/65/79/53/779657953.db2.gz CLUDEUJVPXXXLL-UKAVVXHISA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982305995 779657958 /nfs/dbraw/zinc/65/79/58/779657958.db2.gz CLUDEUJVPXXXLL-UKAVVXHISA-N 2 1 343.515 2.197 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087519704 781647010 /nfs/dbraw/zinc/64/70/10/781647010.db2.gz YRUWNMSMIJTATC-OTWHNJEPSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087519704 781647013 /nfs/dbraw/zinc/64/70/13/781647013.db2.gz YRUWNMSMIJTATC-OTWHNJEPSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087519704 781647014 /nfs/dbraw/zinc/64/70/14/781647014.db2.gz YRUWNMSMIJTATC-OTWHNJEPSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1CC#Cc1ccccc1 ZINC001087519336 781650702 /nfs/dbraw/zinc/65/07/02/781650702.db2.gz JUODZXWEUYDKRY-XUVXKRRUSA-N 2 1 339.483 2.101 20 30 EEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327833 783520481 /nfs/dbraw/zinc/52/04/81/783520481.db2.gz XZUQTQJXRIMWMF-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946807746 783532503 /nfs/dbraw/zinc/53/25/03/783532503.db2.gz DKMRBBWQIQPDLT-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946807746 783532511 /nfs/dbraw/zinc/53/25/11/783532511.db2.gz DKMRBBWQIQPDLT-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946807746 783532519 /nfs/dbraw/zinc/53/25/19/783532519.db2.gz DKMRBBWQIQPDLT-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035225869 784110873 /nfs/dbraw/zinc/11/08/73/784110873.db2.gz BKKPFCGONZDOAY-ZBFHGGJFSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035225869 784110881 /nfs/dbraw/zinc/11/08/81/784110881.db2.gz BKKPFCGONZDOAY-ZBFHGGJFSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035225869 784110885 /nfs/dbraw/zinc/11/08/85/784110885.db2.gz BKKPFCGONZDOAY-ZBFHGGJFSA-N 2 1 339.911 2.251 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035237402 784157535 /nfs/dbraw/zinc/15/75/35/784157535.db2.gz JQLVWSKZMWMWKF-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035237402 784157540 /nfs/dbraw/zinc/15/75/40/784157540.db2.gz JQLVWSKZMWMWKF-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035237402 784157544 /nfs/dbraw/zinc/15/75/44/784157544.db2.gz JQLVWSKZMWMWKF-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035719842 785013039 /nfs/dbraw/zinc/01/30/39/785013039.db2.gz BRWDVXXJQRFTER-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035720153 785014299 /nfs/dbraw/zinc/01/42/99/785014299.db2.gz GUPOLEDZEFEQFC-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035772539 785152242 /nfs/dbraw/zinc/15/22/42/785152242.db2.gz FIZPXDGSUYDCJX-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442892 787254000 /nfs/dbraw/zinc/25/40/00/787254000.db2.gz PVBQZOGUOMLZOI-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442892 787254007 /nfs/dbraw/zinc/25/40/07/787254007.db2.gz PVBQZOGUOMLZOI-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442892 787254012 /nfs/dbraw/zinc/25/40/12/787254012.db2.gz PVBQZOGUOMLZOI-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C#N)C3CCCC3)CC2)CC1 ZINC000921548448 789386563 /nfs/dbraw/zinc/38/65/63/789386563.db2.gz JFFILAQPSYKPBI-IBGZPJMESA-N 2 1 346.519 2.381 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091076192 789727667 /nfs/dbraw/zinc/72/76/67/789727667.db2.gz QUMQMQMDIQZFQT-VJFUWPCTSA-N 2 1 331.504 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091076192 789727675 /nfs/dbraw/zinc/72/76/75/789727675.db2.gz QUMQMQMDIQZFQT-VJFUWPCTSA-N 2 1 331.504 2.005 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC000997832373 791246964 /nfs/dbraw/zinc/24/69/64/791246964.db2.gz RPJJGZADCHKZJI-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC000997832373 791246972 /nfs/dbraw/zinc/24/69/72/791246972.db2.gz RPJJGZADCHKZJI-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2CCCC2)C1 ZINC000998929490 793573105 /nfs/dbraw/zinc/57/31/05/793573105.db2.gz XAUFOSPKNBQWFG-ACBHZAAOSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2CCCC2)C1 ZINC000998929490 793573110 /nfs/dbraw/zinc/57/31/10/793573110.db2.gz XAUFOSPKNBQWFG-ACBHZAAOSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000999389769 794401018 /nfs/dbraw/zinc/40/10/18/794401018.db2.gz CDBYZVIADSNYHC-OALUTQOASA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000999389769 794401023 /nfs/dbraw/zinc/40/10/23/794401023.db2.gz CDBYZVIADSNYHC-OALUTQOASA-N 2 1 343.446 2.004 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999506868 794558220 /nfs/dbraw/zinc/55/82/20/794558220.db2.gz CFEKXEUIDTWVEG-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001093223502 794878270 /nfs/dbraw/zinc/87/82/70/794878270.db2.gz ZWEQXAFGWQVVNN-VQIMIIECSA-N 2 1 327.472 2.069 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106150733 795127253 /nfs/dbraw/zinc/12/72/53/795127253.db2.gz CKTUZZMCVHVGEP-BRWVUGGUSA-N 2 1 330.476 2.104 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107999099 795358355 /nfs/dbraw/zinc/35/83/55/795358355.db2.gz XIVNDHWPDOYYHF-UYAOXDASSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107999099 795358362 /nfs/dbraw/zinc/35/83/62/795358362.db2.gz XIVNDHWPDOYYHF-UYAOXDASSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001107999099 795358370 /nfs/dbraw/zinc/35/83/70/795358370.db2.gz XIVNDHWPDOYYHF-UYAOXDASSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001107999099 795358380 /nfs/dbraw/zinc/35/83/80/795358380.db2.gz XIVNDHWPDOYYHF-UYAOXDASSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107999097 795358667 /nfs/dbraw/zinc/35/86/67/795358667.db2.gz XIVNDHWPDOYYHF-ICSRJNTNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107999097 795358675 /nfs/dbraw/zinc/35/86/75/795358675.db2.gz XIVNDHWPDOYYHF-ICSRJNTNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001107999097 795358683 /nfs/dbraw/zinc/35/86/83/795358683.db2.gz XIVNDHWPDOYYHF-ICSRJNTNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001107999097 795358690 /nfs/dbraw/zinc/35/86/90/795358690.db2.gz XIVNDHWPDOYYHF-ICSRJNTNSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036860014 795511074 /nfs/dbraw/zinc/51/10/74/795511074.db2.gz ZIERXXMYJPSQIL-RTBURBONSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001080192883 795697882 /nfs/dbraw/zinc/69/78/82/795697882.db2.gz RSEJUMUWXLZWMM-VQIMIIECSA-N 2 1 329.488 2.417 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094418984 796207895 /nfs/dbraw/zinc/20/78/95/796207895.db2.gz JTCPPINUQKALIQ-YFHUEUNASA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094418984 796207904 /nfs/dbraw/zinc/20/79/04/796207904.db2.gz JTCPPINUQKALIQ-YFHUEUNASA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094418984 796207908 /nfs/dbraw/zinc/20/79/08/796207908.db2.gz JTCPPINUQKALIQ-YFHUEUNASA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@H]1C ZINC000993339055 796426396 /nfs/dbraw/zinc/42/63/96/796426396.db2.gz QVFGDNRAHIKZIQ-NVXWUHKLSA-N 2 1 330.476 2.307 20 30 EEEDMP N#Cc1ccc(OCCNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001171485322 796591597 /nfs/dbraw/zinc/59/15/97/796591597.db2.gz KYBSSVQYDAHAAU-UHFFFAOYSA-N 2 1 333.395 2.384 20 30 EEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001172120977 796894786 /nfs/dbraw/zinc/89/47/86/796894786.db2.gz AYIFQQPSELLQEP-BWTSREIZSA-N 2 1 339.487 2.481 20 30 EEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001172120977 796894789 /nfs/dbraw/zinc/89/47/89/796894789.db2.gz AYIFQQPSELLQEP-BWTSREIZSA-N 2 1 339.487 2.481 20 30 EEEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001172120977 796894794 /nfs/dbraw/zinc/89/47/94/796894794.db2.gz AYIFQQPSELLQEP-BWTSREIZSA-N 2 1 339.487 2.481 20 30 EEEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001172120977 796894800 /nfs/dbraw/zinc/89/48/00/796894800.db2.gz AYIFQQPSELLQEP-BWTSREIZSA-N 2 1 339.487 2.481 20 30 EEEDMP C=CCOC1CCC([N@H+](CCC[NH+](C)C)CCC(=O)OC)CC1 ZINC001173321029 797359160 /nfs/dbraw/zinc/35/91/60/797359160.db2.gz VJDOJAPUFXOVKN-UHFFFAOYSA-N 2 1 326.481 2.317 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545877 798315220 /nfs/dbraw/zinc/31/52/20/798315220.db2.gz WVQGMKPDGJBYKH-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545877 798315225 /nfs/dbraw/zinc/31/52/25/798315225.db2.gz WVQGMKPDGJBYKH-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545877 798315232 /nfs/dbraw/zinc/31/52/32/798315232.db2.gz WVQGMKPDGJBYKH-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014120 798610851 /nfs/dbraw/zinc/61/08/51/798610851.db2.gz FBVPLSPKPLMHRT-QYZOEREBSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014120 798610855 /nfs/dbraw/zinc/61/08/55/798610855.db2.gz FBVPLSPKPLMHRT-QYZOEREBSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014120 798610859 /nfs/dbraw/zinc/61/08/59/798610859.db2.gz FBVPLSPKPLMHRT-QYZOEREBSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)CN1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002803288 798624553 /nfs/dbraw/zinc/62/45/53/798624553.db2.gz UPCVVBQYAOVPCF-HOCLYGCPSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002803288 798624556 /nfs/dbraw/zinc/62/45/56/798624556.db2.gz UPCVVBQYAOVPCF-HOCLYGCPSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002803288 798624558 /nfs/dbraw/zinc/62/45/58/798624558.db2.gz UPCVVBQYAOVPCF-HOCLYGCPSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001003056301 799141147 /nfs/dbraw/zinc/14/11/47/799141147.db2.gz OQMIEGMFTVGORK-IBGZPJMESA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001003056301 799141150 /nfs/dbraw/zinc/14/11/50/799141150.db2.gz OQMIEGMFTVGORK-IBGZPJMESA-N 2 1 343.515 2.245 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182806547 801356285 /nfs/dbraw/zinc/35/62/85/801356285.db2.gz JGPWOYLMVLCJPO-YLJYHZDGSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001004487763 802192680 /nfs/dbraw/zinc/19/26/80/802192680.db2.gz FXHIEXHUZDLNIY-IBGZPJMESA-N 2 1 336.439 2.284 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]2CC1 ZINC000946628179 802368109 /nfs/dbraw/zinc/36/81/09/802368109.db2.gz KKWNHPSIIAUJDI-HTGVDHAYSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C/C=C\Cl)C[C@H]2CC1 ZINC000946628179 802368112 /nfs/dbraw/zinc/36/81/12/802368112.db2.gz KKWNHPSIIAUJDI-HTGVDHAYSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]2CC1 ZINC000946628179 802368120 /nfs/dbraw/zinc/36/81/20/802368120.db2.gz KKWNHPSIIAUJDI-HTGVDHAYSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C/C=C\Cl)C[C@H]2CC1 ZINC000946628179 802368128 /nfs/dbraw/zinc/36/81/28/802368128.db2.gz KKWNHPSIIAUJDI-HTGVDHAYSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C/C=C\Cl)C[C@H]2CC1 ZINC000946628179 802368136 /nfs/dbraw/zinc/36/81/36/802368136.db2.gz KKWNHPSIIAUJDI-HTGVDHAYSA-N 2 1 349.906 2.007 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001086402387 802899772 /nfs/dbraw/zinc/89/97/72/802899772.db2.gz RHLJWRSKOKKCMX-ZQIUZPCESA-N 2 1 346.500 2.088 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001086402386 802900118 /nfs/dbraw/zinc/90/01/18/802900118.db2.gz RHLJWRSKOKKCMX-CKEIUWERSA-N 2 1 346.500 2.088 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109361221 805358512 /nfs/dbraw/zinc/35/85/12/805358512.db2.gz OWDYYMHTKJZSFB-NCOADZHNSA-N 2 1 325.472 2.354 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001170210518 809814076 /nfs/dbraw/zinc/81/40/76/809814076.db2.gz BOGUFQMTHDOCFX-UHFFFAOYSA-N 2 1 335.879 2.129 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804534386 810912865 /nfs/dbraw/zinc/91/28/65/810912865.db2.gz PMNADUHIMPPVHS-FQEVSTJZSA-N 2 1 327.472 2.229 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC001129771108 810994787 /nfs/dbraw/zinc/99/47/87/810994787.db2.gz RDRGCNLZRILYEM-MSOLQXFVSA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC001129771108 810994793 /nfs/dbraw/zinc/99/47/93/810994793.db2.gz RDRGCNLZRILYEM-MSOLQXFVSA-N 2 1 349.425 2.219 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130430771 811629614 /nfs/dbraw/zinc/62/96/14/811629614.db2.gz IFINQDXOCPUVKX-RDJZCZTQSA-N 2 1 347.507 2.122 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001130711096 811959827 /nfs/dbraw/zinc/95/98/27/811959827.db2.gz NDZQPHFLCHCCJQ-SFHVURJKSA-N 2 1 346.450 2.024 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001438874231 1091519160 /nfs/dbraw/zinc/51/91/60/1091519160.db2.gz AKWHAVPPLYSWSH-QGZVFWFLSA-N 2 1 348.516 2.383 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001438874231 1091519165 /nfs/dbraw/zinc/51/91/65/1091519165.db2.gz AKWHAVPPLYSWSH-QGZVFWFLSA-N 2 1 348.516 2.383 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)s1 ZINC001438874231 1091519171 /nfs/dbraw/zinc/51/91/71/1091519171.db2.gz AKWHAVPPLYSWSH-QGZVFWFLSA-N 2 1 348.516 2.383 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001438874231 1091519178 /nfs/dbraw/zinc/51/91/78/1091519178.db2.gz AKWHAVPPLYSWSH-QGZVFWFLSA-N 2 1 348.516 2.383 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccc(C#N)s2)C1 ZINC001440464402 1093685480 /nfs/dbraw/zinc/68/54/80/1093685480.db2.gz LEYOYOOPEJJGFT-OAHLLOKOSA-N 2 1 348.516 2.242 20 30 EEEDMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001440464402 1093685482 /nfs/dbraw/zinc/68/54/82/1093685482.db2.gz LEYOYOOPEJJGFT-OAHLLOKOSA-N 2 1 348.516 2.242 20 30 EEEDMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001440464402 1093685484 /nfs/dbraw/zinc/68/54/84/1093685484.db2.gz LEYOYOOPEJJGFT-OAHLLOKOSA-N 2 1 348.516 2.242 20 30 EEEDMP C[C@@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)C[NH+](C)CC(C)(C)C ZINC001498381292 1107423940 /nfs/dbraw/zinc/42/39/40/1107423940.db2.gz NXVHNYZLXBJRDL-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)C[NH+](C)CC(C)(C)C ZINC001498381292 1107423947 /nfs/dbraw/zinc/42/39/47/1107423947.db2.gz NXVHNYZLXBJRDL-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498381292 1107423967 /nfs/dbraw/zinc/42/39/67/1107423967.db2.gz NXVHNYZLXBJRDL-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498381292 1107423974 /nfs/dbraw/zinc/42/39/74/1107423974.db2.gz NXVHNYZLXBJRDL-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1CC ZINC001087601551 781920577 /nfs/dbraw/zinc/92/05/77/781920577.db2.gz XHKQBKPNWNESGY-IPMKNSEASA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H]1CC ZINC001087601551 781920586 /nfs/dbraw/zinc/92/05/86/781920586.db2.gz XHKQBKPNWNESGY-IPMKNSEASA-N 2 1 349.519 2.175 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266588207 248372679 /nfs/dbraw/zinc/37/26/79/248372679.db2.gz KXOQEEJLSNBWHB-RBUKOAKNSA-N 2 1 343.471 2.106 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266588207 248372681 /nfs/dbraw/zinc/37/26/81/248372681.db2.gz KXOQEEJLSNBWHB-RBUKOAKNSA-N 2 1 343.471 2.106 20 30 EEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000437576218 267058586 /nfs/dbraw/zinc/05/85/86/267058586.db2.gz FLTUTEUONCTWLX-SFHVURJKSA-N 2 1 331.460 2.500 20 30 EEEDMP O=C(CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC(=O)NC1CC1 ZINC000328660969 465092304 /nfs/dbraw/zinc/09/23/04/465092304.db2.gz WIDVFGZFFVLHLT-ZDUSSCGKSA-N 2 1 345.447 2.432 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)CC1 ZINC000074130101 462559662 /nfs/dbraw/zinc/55/96/62/462559662.db2.gz MCLKZJHDMDWDOK-KRWDZBQOSA-N 2 1 336.524 2.400 20 30 EEEDMP COc1cc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000283154879 463783678 /nfs/dbraw/zinc/78/36/78/463783678.db2.gz XTXVFJMEVXBZOU-QGZVFWFLSA-N 2 1 329.444 2.111 20 30 EEEDMP CCCCOc1ncccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000264075641 464279544 /nfs/dbraw/zinc/27/95/44/464279544.db2.gz FQVKTPVAISXNSM-INIZCTEOSA-N 2 1 333.480 2.149 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329865805 465456235 /nfs/dbraw/zinc/45/62/35/465456235.db2.gz APDBDCCPRVDGIK-IYBDPMFKSA-N 2 1 345.491 2.163 20 30 EEEDMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366354805 465675460 /nfs/dbraw/zinc/67/54/60/465675460.db2.gz NNIBATYJLUPPQX-QGZVFWFLSA-N 2 1 325.416 2.392 20 30 EEEDMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366354805 465675467 /nfs/dbraw/zinc/67/54/67/465675467.db2.gz NNIBATYJLUPPQX-QGZVFWFLSA-N 2 1 325.416 2.392 20 30 EEEDMP C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000346183829 465971173 /nfs/dbraw/zinc/97/11/73/465971173.db2.gz WHNTWCBTAWSRBC-QGZVFWFLSA-N 2 1 342.487 2.127 20 30 EEEDMP C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000346183829 465971177 /nfs/dbraw/zinc/97/11/77/465971177.db2.gz WHNTWCBTAWSRBC-QGZVFWFLSA-N 2 1 342.487 2.127 20 30 EEEDMP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000361798521 466299569 /nfs/dbraw/zinc/29/95/69/466299569.db2.gz MUZUICVKQZYMIJ-MSOLQXFVSA-N 2 1 325.460 2.138 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000363449575 466410030 /nfs/dbraw/zinc/41/00/30/466410030.db2.gz KZCFYAUURXGBMW-GOSISDBHSA-N 2 1 330.451 2.298 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000363449575 466410037 /nfs/dbraw/zinc/41/00/37/466410037.db2.gz KZCFYAUURXGBMW-GOSISDBHSA-N 2 1 330.451 2.298 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000576391687 468164733 /nfs/dbraw/zinc/16/47/33/468164733.db2.gz VGDJRZXHXLWHSW-OALUTQOASA-N 2 1 345.487 2.202 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000584108677 468800909 /nfs/dbraw/zinc/80/09/09/468800909.db2.gz NUHRSHAGRRJDFX-CGTJXYLNSA-N 2 1 348.487 2.236 20 30 EEEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000571580216 468807869 /nfs/dbraw/zinc/80/78/69/468807869.db2.gz VUKXLFCDGPOOGZ-UHFFFAOYSA-N 2 1 342.487 2.180 20 30 EEEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000743492665 577886327 /nfs/dbraw/zinc/88/63/27/577886327.db2.gz YTXDRLZKMCEGSJ-QGZVFWFLSA-N 2 1 339.483 2.037 20 30 EEEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000743492665 577886328 /nfs/dbraw/zinc/88/63/28/577886328.db2.gz YTXDRLZKMCEGSJ-QGZVFWFLSA-N 2 1 339.483 2.037 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000746626589 577931186 /nfs/dbraw/zinc/93/11/86/577931186.db2.gz VBCDLIIIFXUWMG-HKUYNNGSSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000746626589 577931187 /nfs/dbraw/zinc/93/11/87/577931187.db2.gz VBCDLIIIFXUWMG-HKUYNNGSSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000746626589 577931188 /nfs/dbraw/zinc/93/11/88/577931188.db2.gz VBCDLIIIFXUWMG-HKUYNNGSSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000746626589 577931189 /nfs/dbraw/zinc/93/11/89/577931189.db2.gz VBCDLIIIFXUWMG-HKUYNNGSSA-N 2 1 327.472 2.111 20 30 EEEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461143 675910794 /nfs/dbraw/zinc/91/07/94/675910794.db2.gz YNIBTWVTAWRYGA-DBVUQKKJSA-N 2 1 341.499 2.344 20 30 EEEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970327010 675790613 /nfs/dbraw/zinc/79/06/13/675790613.db2.gz YNYBSMHKGUCXRM-APWZRJJASA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001021638398 676293975 /nfs/dbraw/zinc/29/39/75/676293975.db2.gz DSRGNSMAPGURHC-AZUAARDMSA-N 2 1 348.450 2.432 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001023888866 679672564 /nfs/dbraw/zinc/67/25/64/679672564.db2.gz FBRKBHIQSXPHAG-PBHICJAKSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711621 676369751 /nfs/dbraw/zinc/36/97/51/676369751.db2.gz YYRHQNIYKQQJMH-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021715181 676371868 /nfs/dbraw/zinc/37/18/68/676371868.db2.gz DQIDKCQJTPHVKZ-HOTGVXAUSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021715181 676371870 /nfs/dbraw/zinc/37/18/70/676371870.db2.gz DQIDKCQJTPHVKZ-HOTGVXAUSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411679 679296236 /nfs/dbraw/zinc/29/62/36/679296236.db2.gz IGXMJDAPRNUAHH-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001023411679 679296237 /nfs/dbraw/zinc/29/62/37/679296237.db2.gz IGXMJDAPRNUAHH-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001023411679 679296238 /nfs/dbraw/zinc/29/62/38/679296238.db2.gz IGXMJDAPRNUAHH-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587040 679399056 /nfs/dbraw/zinc/39/90/56/679399056.db2.gz DWVHKWWPIDOJOD-IAGOWNOFSA-N 2 1 330.476 2.158 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587040 679399057 /nfs/dbraw/zinc/39/90/57/679399057.db2.gz DWVHKWWPIDOJOD-IAGOWNOFSA-N 2 1 330.476 2.158 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001023761807 679567439 /nfs/dbraw/zinc/56/74/39/679567439.db2.gz JUKWZYHEPSLHGZ-IBGZPJMESA-N 2 1 345.531 2.350 20 30 EEEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])NC3CCCC3)CC2)oc1C ZINC000262318391 685330123 /nfs/dbraw/zinc/33/01/23/685330123.db2.gz QDXJPILPXRERRI-UHFFFAOYSA-N 2 1 333.480 2.350 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@H+](CC(=C)C)C[C@]3(C)C2)CC1 ZINC000982830857 681349765 /nfs/dbraw/zinc/34/97/65/681349765.db2.gz BLCGWKDUNJGMAT-OYRHEFFESA-N 2 1 343.515 2.078 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982505974 681368402 /nfs/dbraw/zinc/36/84/02/681368402.db2.gz BBNWKLUFWKJVHT-BGYRXZFFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982514332 681435516 /nfs/dbraw/zinc/43/55/16/681435516.db2.gz XAQRABOEBZZULS-HDICACEKSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982514332 681435518 /nfs/dbraw/zinc/43/55/18/681435518.db2.gz XAQRABOEBZZULS-HDICACEKSA-N 2 1 339.911 2.251 20 30 EEEDMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001028635861 681451373 /nfs/dbraw/zinc/45/13/73/681451373.db2.gz HPGQAWHYISBUHL-RHSMWYFYSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001024900409 681557437 /nfs/dbraw/zinc/55/74/37/681557437.db2.gz DGCSOJMORJVFEZ-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261822277 681583522 /nfs/dbraw/zinc/58/35/22/681583522.db2.gz UPTFTYWTRSDGPM-CXAGYDPISA-N 2 1 340.475 2.019 20 30 EEEDMP C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261822277 681583528 /nfs/dbraw/zinc/58/35/28/681583528.db2.gz UPTFTYWTRSDGPM-CXAGYDPISA-N 2 1 340.475 2.019 20 30 EEEDMP C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261822277 681583532 /nfs/dbraw/zinc/58/35/32/681583532.db2.gz UPTFTYWTRSDGPM-CXAGYDPISA-N 2 1 340.475 2.019 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553437 681628321 /nfs/dbraw/zinc/62/83/21/681628321.db2.gz LEQUVZPWACVSHM-NXHRZFHOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553437 681628324 /nfs/dbraw/zinc/62/83/24/681628324.db2.gz LEQUVZPWACVSHM-NXHRZFHOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553437 681628329 /nfs/dbraw/zinc/62/83/29/681628329.db2.gz LEQUVZPWACVSHM-NXHRZFHOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553437 681628331 /nfs/dbraw/zinc/62/83/31/681628331.db2.gz LEQUVZPWACVSHM-NXHRZFHOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982724897 682110781 /nfs/dbraw/zinc/11/07/81/682110781.db2.gz FYLRJLLBODTXTB-QGZVKYPTSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247254 682315909 /nfs/dbraw/zinc/31/59/09/682315909.db2.gz JYHNPFQLHQTGOK-QZTJIDSGSA-N 2 1 329.488 2.094 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453369 682793850 /nfs/dbraw/zinc/79/38/50/682793850.db2.gz QSHNQEHOVKURCU-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461665 682827610 /nfs/dbraw/zinc/82/76/10/682827610.db2.gz WXUXZHAWWUYXOY-LSDHHAIUSA-N 2 1 334.464 2.143 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461665 682827617 /nfs/dbraw/zinc/82/76/17/682827617.db2.gz WXUXZHAWWUYXOY-LSDHHAIUSA-N 2 1 334.464 2.143 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597139 683080128 /nfs/dbraw/zinc/08/01/28/683080128.db2.gz NKYAMXPYOHNRKO-JKSUJKDBSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597139 683080131 /nfs/dbraw/zinc/08/01/31/683080131.db2.gz NKYAMXPYOHNRKO-JKSUJKDBSA-N 2 1 328.460 2.001 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040116603 687135434 /nfs/dbraw/zinc/13/54/34/687135434.db2.gz ZFTAXWBOSDLZFM-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040116603 687135437 /nfs/dbraw/zinc/13/54/37/687135437.db2.gz ZFTAXWBOSDLZFM-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040116603 687135439 /nfs/dbraw/zinc/13/54/39/687135439.db2.gz ZFTAXWBOSDLZFM-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040116603 687135442 /nfs/dbraw/zinc/13/54/42/687135442.db2.gz ZFTAXWBOSDLZFM-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001029843185 687292943 /nfs/dbraw/zinc/29/29/43/687292943.db2.gz FHXJQWZPJAMJSA-OALUTQOASA-N 2 1 342.487 2.179 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027333636 687520241 /nfs/dbraw/zinc/52/02/41/687520241.db2.gz ZDPOYDPTMOSRAP-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027333636 687520244 /nfs/dbraw/zinc/52/02/44/687520244.db2.gz ZDPOYDPTMOSRAP-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991013865 694186700 /nfs/dbraw/zinc/18/67/00/694186700.db2.gz AIUAHTCBOHQBSD-WSTZPKSXSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991013865 694186703 /nfs/dbraw/zinc/18/67/03/694186703.db2.gz AIUAHTCBOHQBSD-WSTZPKSXSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991013865 694186704 /nfs/dbraw/zinc/18/67/04/694186704.db2.gz AIUAHTCBOHQBSD-WSTZPKSXSA-N 2 1 331.504 2.101 20 30 EEEDMP C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986353852 688504016 /nfs/dbraw/zinc/50/40/16/688504016.db2.gz JPKAMCJKXMMZKD-HNAYVOBHSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040233290 691648258 /nfs/dbraw/zinc/64/82/58/691648258.db2.gz YGHVNFKAKXPQJY-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233290 691648261 /nfs/dbraw/zinc/64/82/61/691648261.db2.gz YGHVNFKAKXPQJY-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233290 691648265 /nfs/dbraw/zinc/64/82/65/691648265.db2.gz YGHVNFKAKXPQJY-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040233297 691648752 /nfs/dbraw/zinc/64/87/52/691648752.db2.gz YGHVNFKAKXPQJY-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233297 691648753 /nfs/dbraw/zinc/64/87/53/691648753.db2.gz YGHVNFKAKXPQJY-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233297 691648756 /nfs/dbraw/zinc/64/87/56/691648756.db2.gz YGHVNFKAKXPQJY-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)Cc2ccc(C#N)s2)C1 ZINC001481505887 1181589347 /nfs/dbraw/zinc/58/93/47/1181589347.db2.gz UXSRDWMTHKTDBB-OAHLLOKOSA-N 2 1 348.516 2.242 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001481505887 1181589353 /nfs/dbraw/zinc/58/93/53/1181589353.db2.gz UXSRDWMTHKTDBB-OAHLLOKOSA-N 2 1 348.516 2.242 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001481505887 1181589359 /nfs/dbraw/zinc/58/93/59/1181589359.db2.gz UXSRDWMTHKTDBB-OAHLLOKOSA-N 2 1 348.516 2.242 20 30 EEEDMP CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001105447607 1187206198 /nfs/dbraw/zinc/20/61/98/1187206198.db2.gz IUPRCRUDLUHBPX-TYKWCNGQSA-N 2 1 341.499 2.156 20 30 EEEDMP C=C(C)CN1CC2(CCC1=O)CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001272809715 1193532215 /nfs/dbraw/zinc/53/22/15/1193532215.db2.gz ZREAPNKYNRDFMX-UHFFFAOYSA-N 2 1 328.460 2.275 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812197 1188555959 /nfs/dbraw/zinc/55/59/59/1188555959.db2.gz RELGBDJADDHJEF-NZSAHSFTSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812197 1188555960 /nfs/dbraw/zinc/55/59/60/1188555960.db2.gz RELGBDJADDHJEF-NZSAHSFTSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812197 1188555962 /nfs/dbraw/zinc/55/59/62/1188555962.db2.gz RELGBDJADDHJEF-NZSAHSFTSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812197 1188555964 /nfs/dbraw/zinc/55/59/64/1188555964.db2.gz RELGBDJADDHJEF-NZSAHSFTSA-N 2 1 331.504 2.386 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001168363897 1188568369 /nfs/dbraw/zinc/56/83/69/1188568369.db2.gz WHXKSTHCRUIQBK-UHFFFAOYSA-N 2 1 338.455 2.119 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCC1 ZINC001484648891 1191455101 /nfs/dbraw/zinc/45/51/01/1191455101.db2.gz NQFYPWICLAUHHQ-AWEZNQCLSA-N 2 1 336.867 2.135 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001034528921 1196334494 /nfs/dbraw/zinc/33/44/94/1196334494.db2.gz URNZHZHREUTSGB-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001034939576 1196924573 /nfs/dbraw/zinc/92/45/73/1196924573.db2.gz GRXJTRNPIYGHIP-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc[nH]1)C2 ZINC001273146125 1197022902 /nfs/dbraw/zinc/02/29/02/1197022902.db2.gz HPBHHACFBQZPDK-UHFFFAOYSA-N 2 1 342.487 2.091 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001086711772 1199042127 /nfs/dbraw/zinc/04/21/27/1199042127.db2.gz ASFKDFVCJSJYID-XHSDSOJGSA-N 2 1 327.900 2.488 20 30 EEEDMP [NH2+]=C(NCc1ccccc1C[NH+]1CCOCC1)N1CCCCCC1 ZINC000125899431 1199603248 /nfs/dbraw/zinc/60/32/48/1199603248.db2.gz ZTMQFTLEKKXHGG-UHFFFAOYSA-N 2 1 330.476 2.210 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001133122969 1200477662 /nfs/dbraw/zinc/47/76/62/1200477662.db2.gz WRRZJISNGAYWSW-QUCCMNQESA-N 2 1 343.515 2.421 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131048 1204212194 /nfs/dbraw/zinc/21/21/94/1204212194.db2.gz PZLRBOOUNCBSME-IRXDYDNUSA-N 2 1 328.460 2.181 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131048 1204212195 /nfs/dbraw/zinc/21/21/95/1204212195.db2.gz PZLRBOOUNCBSME-IRXDYDNUSA-N 2 1 328.460 2.181 20 30 EEEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000887132967 1204213340 /nfs/dbraw/zinc/21/33/40/1204213340.db2.gz RBAAUPVIVAFJBV-MRXNPFEDSA-N 2 1 349.438 2.493 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001275828679 1205553753 /nfs/dbraw/zinc/55/37/53/1205553753.db2.gz GKYGEGVZYBLNDQ-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001275828679 1205553755 /nfs/dbraw/zinc/55/37/55/1205553755.db2.gz GKYGEGVZYBLNDQ-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001275828679 1205553756 /nfs/dbraw/zinc/55/37/56/1205553756.db2.gz GKYGEGVZYBLNDQ-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001275828679 1205553758 /nfs/dbraw/zinc/55/37/58/1205553758.db2.gz GKYGEGVZYBLNDQ-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001275828679 1205553760 /nfs/dbraw/zinc/55/37/60/1205553760.db2.gz GKYGEGVZYBLNDQ-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC001276160621 1205805791 /nfs/dbraw/zinc/80/57/91/1205805791.db2.gz LGXPIASNJRWHSK-NRFANRHFSA-N 2 1 348.450 2.381 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC001276160621 1205805793 /nfs/dbraw/zinc/80/57/93/1205805793.db2.gz LGXPIASNJRWHSK-NRFANRHFSA-N 2 1 348.450 2.381 20 30 EEEDMP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ncco2)CC3)cc1C#N ZINC001276189433 1205825935 /nfs/dbraw/zinc/82/59/35/1205825935.db2.gz HNSODXGEOFEUEL-UHFFFAOYSA-N 2 1 339.443 2.373 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ncco2)CC3)cc1C#N ZINC001276189433 1205825937 /nfs/dbraw/zinc/82/59/37/1205825937.db2.gz HNSODXGEOFEUEL-UHFFFAOYSA-N 2 1 339.443 2.373 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267747 1208518039 /nfs/dbraw/zinc/51/80/39/1208518039.db2.gz HSOAPMHXMKPUSQ-WERVVEIQSA-N 2 1 339.483 2.208 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267747 1208518041 /nfs/dbraw/zinc/51/80/41/1208518041.db2.gz HSOAPMHXMKPUSQ-WERVVEIQSA-N 2 1 339.483 2.208 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947555020 1208619001 /nfs/dbraw/zinc/61/90/01/1208619001.db2.gz HMZYHXRZHLNGQK-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947555020 1208619004 /nfs/dbraw/zinc/61/90/04/1208619004.db2.gz HMZYHXRZHLNGQK-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947722855 1208686593 /nfs/dbraw/zinc/68/65/93/1208686593.db2.gz MHLSYOHEMBCYRJ-QFBILLFUSA-N 2 1 327.472 2.007 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000948056522 1208846710 /nfs/dbraw/zinc/84/67/10/1208846710.db2.gz KQBSPUDKNRODCU-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948861402 1209421301 /nfs/dbraw/zinc/42/13/01/1209421301.db2.gz NDVGCLSGMUKICF-LJQANCHMSA-N 2 1 327.472 2.308 20 30 EEEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000949531856 1209731298 /nfs/dbraw/zinc/73/12/98/1209731298.db2.gz RFRLWERGZHFADM-UHFFFAOYSA-N 2 1 349.519 2.132 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000303793933 1213906868 /nfs/dbraw/zinc/90/68/68/1213906868.db2.gz ZZICXVKEGDASLG-ZWKOTPCHSA-N 3 1 337.556 2.276 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)CC1 ZINC000957573293 1215222612 /nfs/dbraw/zinc/22/26/12/1215222612.db2.gz QBSRLJGHIAFGTG-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000959914052 1216224740 /nfs/dbraw/zinc/22/47/40/1216224740.db2.gz DGCSOJMORJVFEZ-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961189408 1217078062 /nfs/dbraw/zinc/07/80/62/1217078062.db2.gz ZDKRYVYRNLDRKQ-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961189408 1217078066 /nfs/dbraw/zinc/07/80/66/1217078066.db2.gz ZDKRYVYRNLDRKQ-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961189408 1217078069 /nfs/dbraw/zinc/07/80/69/1217078069.db2.gz ZDKRYVYRNLDRKQ-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376815 1217164381 /nfs/dbraw/zinc/16/43/81/1217164381.db2.gz DJDMOWHSWNUZGM-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376815 1217164383 /nfs/dbraw/zinc/16/43/83/1217164383.db2.gz DJDMOWHSWNUZGM-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376815 1217164385 /nfs/dbraw/zinc/16/43/85/1217164385.db2.gz DJDMOWHSWNUZGM-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC(C[NH2+]Cc2ccccc2C#N)C1 ZINC000962306522 1217603559 /nfs/dbraw/zinc/60/35/59/1217603559.db2.gz OMTBDDPDSSOVAW-LYGPFTKASA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000964034473 1218211563 /nfs/dbraw/zinc/21/15/63/1218211563.db2.gz DFKVKUMJHYRFNS-LETWWHAPSA-N 2 1 325.884 2.240 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001007649702 1222345697 /nfs/dbraw/zinc/34/56/97/1222345697.db2.gz WXPFXSBEOPORCG-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001008534321 1222911459 /nfs/dbraw/zinc/91/14/59/1222911459.db2.gz XNFHQBFRXGNGJW-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001008534321 1222911463 /nfs/dbraw/zinc/91/14/63/1222911463.db2.gz XNFHQBFRXGNGJW-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001008534321 1222911467 /nfs/dbraw/zinc/91/14/67/1222911467.db2.gz XNFHQBFRXGNGJW-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001008534321 1222911471 /nfs/dbraw/zinc/91/14/71/1222911471.db2.gz XNFHQBFRXGNGJW-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001016336629 1226360295 /nfs/dbraw/zinc/36/02/95/1226360295.db2.gz CVQORDKKBYTXIA-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001016336629 1226360301 /nfs/dbraw/zinc/36/03/01/1226360301.db2.gz CVQORDKKBYTXIA-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001016336629 1226360306 /nfs/dbraw/zinc/36/03/06/1226360306.db2.gz CVQORDKKBYTXIA-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001016336629 1226360310 /nfs/dbraw/zinc/36/03/10/1226360310.db2.gz CVQORDKKBYTXIA-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020251243 1229583859 /nfs/dbraw/zinc/58/38/59/1229583859.db2.gz CCWCHZUXRYQRLG-WNHJNPCNSA-N 2 1 325.456 2.082 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020251243 1229583861 /nfs/dbraw/zinc/58/38/61/1229583861.db2.gz CCWCHZUXRYQRLG-WNHJNPCNSA-N 2 1 325.456 2.082 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCC2=CCCCC2)CC1 ZINC001039041277 1230257562 /nfs/dbraw/zinc/25/75/62/1230257562.db2.gz BKNKBTFTPOICQE-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001039405912 1230587629 /nfs/dbraw/zinc/58/76/29/1230587629.db2.gz OTVRVFNXPDIQLU-SJORKVTESA-N 2 1 342.487 2.403 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001039405912 1230587631 /nfs/dbraw/zinc/58/76/31/1230587631.db2.gz OTVRVFNXPDIQLU-SJORKVTESA-N 2 1 342.487 2.403 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001039486409 1230651508 /nfs/dbraw/zinc/65/15/08/1230651508.db2.gz JAIWHZVMUOZIJW-FQEVSTJZSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001039486409 1230651512 /nfs/dbraw/zinc/65/15/12/1230651512.db2.gz JAIWHZVMUOZIJW-FQEVSTJZSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040528086 1231277320 /nfs/dbraw/zinc/27/73/20/1231277320.db2.gz JMSIGTHVPIYCEF-DOTOQJQBSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040528086 1231277324 /nfs/dbraw/zinc/27/73/24/1231277324.db2.gz JMSIGTHVPIYCEF-DOTOQJQBSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040528086 1231277325 /nfs/dbraw/zinc/27/73/25/1231277325.db2.gz JMSIGTHVPIYCEF-DOTOQJQBSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040528086 1231277329 /nfs/dbraw/zinc/27/73/29/1231277329.db2.gz JMSIGTHVPIYCEF-DOTOQJQBSA-N 2 1 325.884 2.005 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699987 1231339985 /nfs/dbraw/zinc/33/99/85/1231339985.db2.gz FYVUAVHVFOQPDM-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285703 1231495553 /nfs/dbraw/zinc/49/55/53/1231495553.db2.gz GZJWBSNXQBPRPX-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCC(C)C)[C@@H]3C2)CC1 ZINC001042367935 1232050039 /nfs/dbraw/zinc/05/00/39/1232050039.db2.gz MKDVBFXRTGGLBF-AZUAARDMSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001044792594 1233268470 /nfs/dbraw/zinc/26/84/70/1233268470.db2.gz LPEPUXMFXBZSBF-GDBMZVCRSA-N 2 1 325.416 2.036 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045939016 1234194877 /nfs/dbraw/zinc/19/48/77/1234194877.db2.gz RTPGIECSNBOESL-QKNQBKEWSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045939016 1234194879 /nfs/dbraw/zinc/19/48/79/1234194879.db2.gz RTPGIECSNBOESL-QKNQBKEWSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045939016 1234194880 /nfs/dbraw/zinc/19/48/80/1234194880.db2.gz RTPGIECSNBOESL-QKNQBKEWSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045966892 1234246899 /nfs/dbraw/zinc/24/68/99/1234246899.db2.gz IRVRXSPIEFFIBU-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045966892 1234246902 /nfs/dbraw/zinc/24/69/02/1234246902.db2.gz IRVRXSPIEFFIBU-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001046730815 1235122633 /nfs/dbraw/zinc/12/26/33/1235122633.db2.gz GFTMEGDIOMCOIR-IBGZPJMESA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046730815 1235122637 /nfs/dbraw/zinc/12/26/37/1235122637.db2.gz GFTMEGDIOMCOIR-IBGZPJMESA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046730815 1235122641 /nfs/dbraw/zinc/12/26/41/1235122641.db2.gz GFTMEGDIOMCOIR-IBGZPJMESA-N 2 1 339.443 2.428 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046937292 1235327912 /nfs/dbraw/zinc/32/79/12/1235327912.db2.gz HRAYQICZMRRYBK-GJZGRUSLSA-N 2 1 329.435 2.119 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046937292 1235327914 /nfs/dbraw/zinc/32/79/14/1235327914.db2.gz HRAYQICZMRRYBK-GJZGRUSLSA-N 2 1 329.435 2.119 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC2CC2)C3)CC1 ZINC001047209872 1235674095 /nfs/dbraw/zinc/67/40/95/1235674095.db2.gz YYJCUNIGQHEFMX-IHPCNDPISA-N 2 1 343.515 2.101 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001047249520 1235743753 /nfs/dbraw/zinc/74/37/53/1235743753.db2.gz ABABBIMOMNWZBS-LJQANCHMSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC ZINC001048532985 1237894526 /nfs/dbraw/zinc/89/45/26/1237894526.db2.gz MQOBSAOBOREECD-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001048532985 1237894534 /nfs/dbraw/zinc/89/45/34/1237894534.db2.gz MQOBSAOBOREECD-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCC ZINC001048532985 1237894543 /nfs/dbraw/zinc/89/45/43/1237894543.db2.gz MQOBSAOBOREECD-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCC ZINC001048532985 1237894548 /nfs/dbraw/zinc/89/45/48/1237894548.db2.gz MQOBSAOBOREECD-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCn3ccnc3C1)C2 ZINC001048541753 1237919903 /nfs/dbraw/zinc/91/99/03/1237919903.db2.gz JOBJRTDTDPIGDV-ZJPYXAASSA-N 2 1 342.487 2.381 20 30 EEEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048563034 1237970406 /nfs/dbraw/zinc/97/04/06/1237970406.db2.gz TXBOXQGUVDGXKB-CMZRPVNOSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048563034 1237970416 /nfs/dbraw/zinc/97/04/16/1237970416.db2.gz TXBOXQGUVDGXKB-CMZRPVNOSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048563034 1237970426 /nfs/dbraw/zinc/97/04/26/1237970426.db2.gz TXBOXQGUVDGXKB-CMZRPVNOSA-N 2 1 339.911 2.296 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001048590181 1238040411 /nfs/dbraw/zinc/04/04/11/1238040411.db2.gz HAHMCFVGDLDZDT-GGPHIMKMSA-N 2 1 339.483 2.354 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)CC1 ZINC001000173741 1240024103 /nfs/dbraw/zinc/02/41/03/1240024103.db2.gz IUJHFLUPWIJDRF-GOSISDBHSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049523784 1241239994 /nfs/dbraw/zinc/23/99/94/1241239994.db2.gz HDZOZXDFRPPVRW-GUDVDZBRSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049523784 1241240007 /nfs/dbraw/zinc/24/00/07/1241240007.db2.gz HDZOZXDFRPPVRW-GUDVDZBRSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049523784 1241240018 /nfs/dbraw/zinc/24/00/18/1241240018.db2.gz HDZOZXDFRPPVRW-GUDVDZBRSA-N 2 1 331.504 2.338 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717427 1241978087 /nfs/dbraw/zinc/97/80/87/1241978087.db2.gz DIBKAGDMCPZVIK-BPQIPLTHSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717427 1241978090 /nfs/dbraw/zinc/97/80/90/1241978090.db2.gz DIBKAGDMCPZVIK-BPQIPLTHSA-N 2 1 328.460 2.005 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049760748 1242115398 /nfs/dbraw/zinc/11/53/98/1242115398.db2.gz BTABDZPTGHYBJR-QZTJIDSGSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049760748 1242115400 /nfs/dbraw/zinc/11/54/00/1242115400.db2.gz BTABDZPTGHYBJR-QZTJIDSGSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787710 1242184403 /nfs/dbraw/zinc/18/44/03/1242184403.db2.gz JSAIQZXZSSLNML-VQTJNVASSA-N 2 1 339.483 2.450 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)CC1 ZINC001050524406 1243780184 /nfs/dbraw/zinc/78/01/84/1243780184.db2.gz BDDLOFAFHWGZAK-QGZVFWFLSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050542583 1243813870 /nfs/dbraw/zinc/81/38/70/1243813870.db2.gz HWNRSDHUNNLBDN-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001050546610 1243823006 /nfs/dbraw/zinc/82/30/06/1243823006.db2.gz PANYXFXZMRWQEH-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CCC[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)cccc2C1 ZINC001051299852 1245500039 /nfs/dbraw/zinc/50/00/39/1245500039.db2.gz PXTHJSSMKYGOFA-OXJNMPFZSA-N 2 1 341.499 2.435 20 30 EEEDMP C=CCC[N@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)cccc2C1 ZINC001051299852 1245500043 /nfs/dbraw/zinc/50/00/43/1245500043.db2.gz PXTHJSSMKYGOFA-OXJNMPFZSA-N 2 1 341.499 2.435 20 30 EEEDMP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)cccc2C1 ZINC001051299852 1245500048 /nfs/dbraw/zinc/50/00/48/1245500048.db2.gz PXTHJSSMKYGOFA-OXJNMPFZSA-N 2 1 341.499 2.435 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C/C=C\Cl)CC2)CC1 ZINC001052952053 1245540933 /nfs/dbraw/zinc/54/09/33/1245540933.db2.gz BJHCYOLXFIRQET-ASRSSLEJSA-N 2 1 337.895 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@]2(C)C1 ZINC001101310701 1245642389 /nfs/dbraw/zinc/64/23/89/1245642389.db2.gz UHPBJDUIBSTIDR-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029939 1245715006 /nfs/dbraw/zinc/71/50/06/1245715006.db2.gz YRGPFMKQOIWGST-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053038706 1245740716 /nfs/dbraw/zinc/74/07/16/1245740716.db2.gz ANYNMPPONIXXGB-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001053087552 1245867752 /nfs/dbraw/zinc/86/77/52/1245867752.db2.gz MFKGIFZTYPUTKK-AEFFLSMTSA-N 2 1 328.460 2.069 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487036 1245891056 /nfs/dbraw/zinc/89/10/56/1245891056.db2.gz KSYPVSIKTUIXOX-CTNGQTDRSA-N 2 1 341.499 2.475 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487036 1245891068 /nfs/dbraw/zinc/89/10/68/1245891068.db2.gz KSYPVSIKTUIXOX-CTNGQTDRSA-N 2 1 341.499 2.475 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487036 1245891081 /nfs/dbraw/zinc/89/10/81/1245891081.db2.gz KSYPVSIKTUIXOX-CTNGQTDRSA-N 2 1 341.499 2.475 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487036 1245891089 /nfs/dbraw/zinc/89/10/89/1245891089.db2.gz KSYPVSIKTUIXOX-CTNGQTDRSA-N 2 1 341.499 2.475 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001101567147 1245969240 /nfs/dbraw/zinc/96/92/40/1245969240.db2.gz YSSCDXJWPWALAH-IRXDYDNUSA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)O2 ZINC001053605835 1246522781 /nfs/dbraw/zinc/52/27/81/1246522781.db2.gz MTCHKEKXQBBXPO-QZTJIDSGSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052456064 1247328120 /nfs/dbraw/zinc/32/81/20/1247328120.db2.gz BADYIIKEGKGWAY-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052456064 1247328132 /nfs/dbraw/zinc/32/81/32/1247328132.db2.gz BADYIIKEGKGWAY-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052456064 1247328138 /nfs/dbraw/zinc/32/81/38/1247328138.db2.gz BADYIIKEGKGWAY-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052456064 1247328148 /nfs/dbraw/zinc/32/81/48/1247328148.db2.gz BADYIIKEGKGWAY-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054141593 1247504195 /nfs/dbraw/zinc/50/41/95/1247504195.db2.gz MPANBHZNFYJVEW-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141593 1247504205 /nfs/dbraw/zinc/50/42/05/1247504205.db2.gz MPANBHZNFYJVEW-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141593 1247504215 /nfs/dbraw/zinc/50/42/15/1247504215.db2.gz MPANBHZNFYJVEW-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054204776 1247710057 /nfs/dbraw/zinc/71/00/57/1247710057.db2.gz CYVSTPRSCPJDLW-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054204776 1247710061 /nfs/dbraw/zinc/71/00/61/1247710061.db2.gz CYVSTPRSCPJDLW-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]1C ZINC001074878043 1257186767 /nfs/dbraw/zinc/18/67/67/1257186767.db2.gz XNHYZGSKLXRPOM-BXWFABGCSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(CC)CC)CC1 ZINC001098460000 1257696950 /nfs/dbraw/zinc/69/69/50/1257696950.db2.gz WFSJSIQKCPNRDA-AQNXPRMDSA-N 2 1 345.531 2.489 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001100900143 1259412237 /nfs/dbraw/zinc/41/22/37/1259412237.db2.gz SIIOMIHQERETIP-UHFFFAOYSA-N 2 1 346.450 2.024 20 30 EEEDMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001134723674 1278007354 /nfs/dbraw/zinc/00/73/54/1278007354.db2.gz RZGOVMUZSLPPPM-UHFFFAOYSA-N 2 1 339.443 2.174 20 30 EEEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001190818094 1281090863 /nfs/dbraw/zinc/09/08/63/1281090863.db2.gz OBTPGNDOPLUPDE-QZTJIDSGSA-N 2 1 348.491 2.206 20 30 EEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001196934975 1284337754 /nfs/dbraw/zinc/33/77/54/1284337754.db2.gz LHKBNWYBIMRRTL-KRWDZBQOSA-N 2 1 330.476 2.254 20 30 EEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001196934975 1284337766 /nfs/dbraw/zinc/33/77/66/1284337766.db2.gz LHKBNWYBIMRRTL-KRWDZBQOSA-N 2 1 330.476 2.254 20 30 EEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+](C)CCC)c1ccccc1OC ZINC001198966992 1285449766 /nfs/dbraw/zinc/44/97/66/1285449766.db2.gz AFVGJZKKTLOVHI-KRWDZBQOSA-N 2 1 333.476 2.360 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213525236 1296071376 /nfs/dbraw/zinc/07/13/76/1296071376.db2.gz XHOPUJYRYZLQFF-RCCFBDPRSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](OC)C1 ZINC001213713385 1296145080 /nfs/dbraw/zinc/14/50/80/1296145080.db2.gz PSFJRPBLWWGSNR-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125964 1296551785 /nfs/dbraw/zinc/55/17/85/1296551785.db2.gz QPKRWRCBRHPVOK-CVEARBPZSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125964 1296551796 /nfs/dbraw/zinc/55/17/96/1296551796.db2.gz QPKRWRCBRHPVOK-CVEARBPZSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099547245 1299207738 /nfs/dbraw/zinc/20/77/38/1299207738.db2.gz BMGGVMHOOVIPLB-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547245 1299207752 /nfs/dbraw/zinc/20/77/52/1299207752.db2.gz BMGGVMHOOVIPLB-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547245 1299207774 /nfs/dbraw/zinc/20/77/74/1299207774.db2.gz BMGGVMHOOVIPLB-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)N(C)CC)[C@@H]2C1 ZINC001221942472 1299215038 /nfs/dbraw/zinc/21/50/38/1299215038.db2.gz MNMOQUJCBNUMPQ-AQNXPRMDSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)[C@@H]2C1 ZINC001221942472 1299215044 /nfs/dbraw/zinc/21/50/44/1299215044.db2.gz MNMOQUJCBNUMPQ-AQNXPRMDSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)[C@@H]2C1 ZINC001221942472 1299215050 /nfs/dbraw/zinc/21/50/50/1299215050.db2.gz MNMOQUJCBNUMPQ-AQNXPRMDSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001221942472 1299215068 /nfs/dbraw/zinc/21/50/68/1299215068.db2.gz MNMOQUJCBNUMPQ-AQNXPRMDSA-N 2 1 339.483 2.235 20 30 EEEDMP C=C(Br)C[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001224583042 1300659464 /nfs/dbraw/zinc/65/94/64/1300659464.db2.gz JAKVJUAHGOGOGJ-AWEZNQCLSA-N 2 1 346.313 2.063 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001225228487 1300935855 /nfs/dbraw/zinc/93/58/55/1300935855.db2.gz LYSWLAKNFAWDIS-UHFFFAOYSA-N 2 1 341.499 2.208 20 30 EEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507032 1301159649 /nfs/dbraw/zinc/15/96/49/1301159649.db2.gz MMTKBGBOEZLGHO-MBOZVWFJSA-N 2 1 329.488 2.334 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001228106531 1302106932 /nfs/dbraw/zinc/10/69/32/1302106932.db2.gz VRPOUCYFBMFGTF-AWEZNQCLSA-N 2 1 334.464 2.285 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001228602314 1302333383 /nfs/dbraw/zinc/33/33/83/1302333383.db2.gz HOULVSDKQFKACD-MDZRGWNJSA-N 2 1 337.483 2.239 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001229860700 1302969052 /nfs/dbraw/zinc/96/90/52/1302969052.db2.gz ZOUDRRCKGSEVLP-WOJBJXKFSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CCC[N@H+](CCCNC(=O)CC[NH+](C)CCC)Cc1cccnc1 ZINC001230905699 1303538924 /nfs/dbraw/zinc/53/89/24/1303538924.db2.gz LCKSCRLRUOQASO-UHFFFAOYSA-N 2 1 344.503 2.145 20 30 EEEDMP Cn1c[nH+]cc1N1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277765647 1304370140 /nfs/dbraw/zinc/37/01/40/1304370140.db2.gz MQUAYDAQRYPGNU-UHFFFAOYSA-N 2 1 338.459 2.123 20 30 EEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001112442311 1304552748 /nfs/dbraw/zinc/55/27/48/1304552748.db2.gz UMHCMJVHPWWARN-KXBFYZLASA-N 2 1 346.475 2.144 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001115108276 1304689796 /nfs/dbraw/zinc/68/97/96/1304689796.db2.gz MCIGSJXZSVQYOA-PXCRPINLSA-N 2 1 341.499 2.476 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192922 1316198438 /nfs/dbraw/zinc/19/84/38/1316198438.db2.gz KLCIVGDCZGMJBA-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001150402366 1316257649 /nfs/dbraw/zinc/25/76/49/1316257649.db2.gz CLCMVHKZZXXOHA-KRWDZBQOSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001150402366 1316257652 /nfs/dbraw/zinc/25/76/52/1316257652.db2.gz CLCMVHKZZXXOHA-KRWDZBQOSA-N 2 1 348.491 2.180 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904489 1317377470 /nfs/dbraw/zinc/37/74/70/1317377470.db2.gz URBNLSRGTTYARL-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904489 1317377478 /nfs/dbraw/zinc/37/74/78/1317377478.db2.gz URBNLSRGTTYARL-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001159327462 1319741479 /nfs/dbraw/zinc/74/14/79/1319741479.db2.gz LFARYYRLXDLTAX-GOSISDBHSA-N 2 1 346.450 2.168 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001161749747 1320609734 /nfs/dbraw/zinc/60/97/34/1320609734.db2.gz JMULFJBBCZFWKE-UHFFFAOYSA-N 2 1 337.508 2.059 20 30 EEEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749747 1320609739 /nfs/dbraw/zinc/60/97/39/1320609739.db2.gz JMULFJBBCZFWKE-UHFFFAOYSA-N 2 1 337.508 2.059 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749747 1320609742 /nfs/dbraw/zinc/60/97/42/1320609742.db2.gz JMULFJBBCZFWKE-UHFFFAOYSA-N 2 1 337.508 2.059 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001203900965 1321984284 /nfs/dbraw/zinc/98/42/84/1321984284.db2.gz AWCIYDKNXUAQJN-WOJBJXKFSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001203900965 1321984290 /nfs/dbraw/zinc/98/42/90/1321984290.db2.gz AWCIYDKNXUAQJN-WOJBJXKFSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001203900965 1321984292 /nfs/dbraw/zinc/98/42/92/1321984292.db2.gz AWCIYDKNXUAQJN-WOJBJXKFSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001203900965 1321984295 /nfs/dbraw/zinc/98/42/95/1321984295.db2.gz AWCIYDKNXUAQJN-WOJBJXKFSA-N 2 1 335.455 2.246 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206474815 1323505166 /nfs/dbraw/zinc/50/51/66/1323505166.db2.gz LGZXQRWKICYNJV-UHFFFAOYSA-N 2 1 330.476 2.248 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209277178 1324880965 /nfs/dbraw/zinc/88/09/65/1324880965.db2.gz HHTRDVYHCWCINK-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209641283 1324997169 /nfs/dbraw/zinc/99/71/69/1324997169.db2.gz IBLHDTVVVQVNCU-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209644130 1324997635 /nfs/dbraw/zinc/99/76/35/1324997635.db2.gz YPALRQZRTLFJBG-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200636387 1338484065 /nfs/dbraw/zinc/48/40/65/1338484065.db2.gz ZFEVPKPHDARHKR-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000849117600 1339145998 /nfs/dbraw/zinc/14/59/98/1339145998.db2.gz MYUFZUFSSROQLC-QZTJIDSGSA-N 2 1 332.492 2.003 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001500280563 1342130524 /nfs/dbraw/zinc/13/05/24/1342130524.db2.gz OYVSPSJPQNRNOG-GOSISDBHSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001500280563 1342130525 /nfs/dbraw/zinc/13/05/25/1342130525.db2.gz OYVSPSJPQNRNOG-GOSISDBHSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001500280563 1342130526 /nfs/dbraw/zinc/13/05/26/1342130526.db2.gz OYVSPSJPQNRNOG-GOSISDBHSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001500280563 1342130527 /nfs/dbraw/zinc/13/05/27/1342130527.db2.gz OYVSPSJPQNRNOG-GOSISDBHSA-N 2 1 348.516 2.432 20 30 EEEDMP C=CC1(CC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)C[NH2+]C1 ZINC001574879636 1343708185 /nfs/dbraw/zinc/70/81/85/1343708185.db2.gz DNCHNYZYTURNBX-MRXNPFEDSA-N 2 1 343.471 2.066 20 30 EEEDMP CC#CC[C@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001574973025 1343716198 /nfs/dbraw/zinc/71/61/98/1343716198.db2.gz RTAMLSMXKNIXDT-NXEWRWPSSA-N 2 1 339.483 2.429 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001674199758 1356804291 /nfs/dbraw/zinc/80/42/91/1356804291.db2.gz RZNVIIODGCRACI-ICSRJNTNSA-N 2 1 341.499 2.120 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001674199758 1356804293 /nfs/dbraw/zinc/80/42/93/1356804293.db2.gz RZNVIIODGCRACI-ICSRJNTNSA-N 2 1 341.499 2.120 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135028336 1367995769 /nfs/dbraw/zinc/99/57/69/1367995769.db2.gz FXASVHCENHQLLP-SJORKVTESA-N 2 1 338.455 2.116 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135029862 1367997798 /nfs/dbraw/zinc/99/77/98/1367997798.db2.gz TUGWNSUNSYWVSN-LSDHHAIUSA-N 2 1 339.443 2.136 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC001115772940 1371706818 /nfs/dbraw/zinc/70/68/18/1371706818.db2.gz BPJWNVHBOYSROQ-UHFFFAOYSA-N 2 1 330.476 2.404 20 30 EEEDMP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001121916272 1371932845 /nfs/dbraw/zinc/93/28/45/1371932845.db2.gz SYYXHKALXLORMC-ZACQAIPSSA-N 2 1 325.497 2.044 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)Cc2ccc(C#N)cc2)CC1 ZINC001369188587 1374500389 /nfs/dbraw/zinc/50/03/89/1374500389.db2.gz CUTQYKKVUAENFD-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001369188587 1374500396 /nfs/dbraw/zinc/50/03/96/1374500396.db2.gz CUTQYKKVUAENFD-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001369188587 1374500401 /nfs/dbraw/zinc/50/04/01/1374500401.db2.gz CUTQYKKVUAENFD-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001369549035 1374566117 /nfs/dbraw/zinc/56/61/17/1374566117.db2.gz WELCQXRPAFGSHB-CHWSQXEVSA-N 2 1 346.313 2.110 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001376584350 1378612749 /nfs/dbraw/zinc/61/27/49/1378612749.db2.gz XANNMGQGUKZNJS-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001376584350 1378612751 /nfs/dbraw/zinc/61/27/51/1378612751.db2.gz XANNMGQGUKZNJS-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC001376584350 1378612756 /nfs/dbraw/zinc/61/27/56/1378612756.db2.gz XANNMGQGUKZNJS-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001381621191 1381694408 /nfs/dbraw/zinc/69/44/08/1381694408.db2.gz GNHCORGWGHFRBU-KDOFPFPSSA-N 2 1 348.466 2.220 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001381621191 1381694410 /nfs/dbraw/zinc/69/44/10/1381694410.db2.gz GNHCORGWGHFRBU-KDOFPFPSSA-N 2 1 348.466 2.220 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001393057862 1390296720 /nfs/dbraw/zinc/29/67/20/1390296720.db2.gz NOJVVOGZQPQBEV-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C[NH+](CC(=O)NCC[N@H+](C)Cc1ccc(F)c(C#N)c1)CC(C)(C)C ZINC001399571962 1395261454 /nfs/dbraw/zinc/26/14/54/1395261454.db2.gz CGMZJKZELHJEEM-UHFFFAOYSA-N 2 1 348.466 2.223 20 30 EEEDMP C[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)Cc1ccc(F)c(C#N)c1 ZINC001399571962 1395261463 /nfs/dbraw/zinc/26/14/63/1395261463.db2.gz CGMZJKZELHJEEM-UHFFFAOYSA-N 2 1 348.466 2.223 20 30 EEEDMP C[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)Cc1ccc(F)c(C#N)c1 ZINC001399571962 1395261471 /nfs/dbraw/zinc/26/14/71/1395261471.db2.gz CGMZJKZELHJEEM-UHFFFAOYSA-N 2 1 348.466 2.223 20 30 EEEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001754469795 1406914363 /nfs/dbraw/zinc/91/43/63/1406914363.db2.gz FZZVEPLPHVNBRS-HKUYNNGSSA-N 2 1 333.520 2.491 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001402409612 1397984225 /nfs/dbraw/zinc/98/42/25/1397984225.db2.gz AKULOTRAPWWIQX-QFBILLFUSA-N 2 1 342.487 2.227 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001423572940 1400646955 /nfs/dbraw/zinc/64/69/55/1400646955.db2.gz KILHVAXGDBXYKI-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001423572940 1400646958 /nfs/dbraw/zinc/64/69/58/1400646958.db2.gz KILHVAXGDBXYKI-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC001575048591 1403531579 /nfs/dbraw/zinc/53/15/79/1403531579.db2.gz KSJDMYTVNYSSFK-LSDHHAIUSA-N 2 1 332.423 2.132 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001755711806 1407766175 /nfs/dbraw/zinc/76/61/75/1407766175.db2.gz IJXCAFJCDJMJCG-RCCFBDPRSA-N 2 1 330.476 2.374 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001755840036 1407889049 /nfs/dbraw/zinc/88/90/49/1407889049.db2.gz QJADWCSNUPZQRP-IBGZPJMESA-N 2 1 343.515 2.499 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001100676895 1410694776 /nfs/dbraw/zinc/69/47/76/1410694776.db2.gz UQVOYPSUBDYELV-MNNVXMFVSA-N 2 1 340.471 2.027 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001112397046 1410896503 /nfs/dbraw/zinc/89/65/03/1410896503.db2.gz QGTNZKAAOZBFGZ-ZWOKBUDYSA-N 2 1 340.471 2.002 20 30 EEEDMP C=CCCC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCCCC1 ZINC001115773126 1411048146 /nfs/dbraw/zinc/04/81/46/1411048146.db2.gz NBNIJFNOVVETFB-UHFFFAOYSA-N 2 1 337.508 2.084 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C ZINC001087317033 761612147 /nfs/dbraw/zinc/61/21/47/761612147.db2.gz BDSDJTXACBWSJQ-BPQIPLTHSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C ZINC001087317033 761612152 /nfs/dbraw/zinc/61/21/52/761612152.db2.gz BDSDJTXACBWSJQ-BPQIPLTHSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010167 782763057 /nfs/dbraw/zinc/76/30/57/782763057.db2.gz LIOYJXDHKNIVFZ-MSOLQXFVSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673615 770050706 /nfs/dbraw/zinc/05/07/06/770050706.db2.gz SAGRAGMBFMDVJF-YZGWKJHDSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC)CC(C)(C)C2)CC1 ZINC001089560632 770357914 /nfs/dbraw/zinc/35/79/14/770357914.db2.gz CLTMANPVXZUFGK-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001108098522 783190199 /nfs/dbraw/zinc/19/01/99/783190199.db2.gz UTPDHKSMSBLYFZ-GOSISDBHSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723193 775931725 /nfs/dbraw/zinc/93/17/25/775931725.db2.gz SLUMLWOEVJUQTR-FXAWDEMLSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089833471 777338217 /nfs/dbraw/zinc/33/82/17/777338217.db2.gz KPIJRQJGIVDRHT-KANFNMMFSA-N 2 1 336.439 2.303 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851640 778033913 /nfs/dbraw/zinc/03/39/13/778033913.db2.gz XMPUDLYCDGKWTJ-OKYOBFRVSA-N 2 1 331.504 2.073 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982279712 779512484 /nfs/dbraw/zinc/51/24/84/779512484.db2.gz DVVOYBGVTAKLNZ-SESVDKBCSA-N 2 1 345.531 2.465 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292283 779575319 /nfs/dbraw/zinc/57/53/19/779575319.db2.gz FDNJXEOIXOVCFZ-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292283 779575322 /nfs/dbraw/zinc/57/53/22/779575322.db2.gz FDNJXEOIXOVCFZ-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292283 779575327 /nfs/dbraw/zinc/57/53/27/779575327.db2.gz FDNJXEOIXOVCFZ-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035183975 784019090 /nfs/dbraw/zinc/01/90/90/784019090.db2.gz CEOQYOKKJJGWOK-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035183975 784019098 /nfs/dbraw/zinc/01/90/98/784019098.db2.gz CEOQYOKKJJGWOK-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035183975 784019104 /nfs/dbraw/zinc/01/91/04/784019104.db2.gz CEOQYOKKJJGWOK-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035228566 784117517 /nfs/dbraw/zinc/11/75/17/784117517.db2.gz UDEFXQNWNQCNSQ-HNNXBMFYSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035228566 784117522 /nfs/dbraw/zinc/11/75/22/784117522.db2.gz UDEFXQNWNQCNSQ-HNNXBMFYSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035228566 784117527 /nfs/dbraw/zinc/11/75/27/784117527.db2.gz UDEFXQNWNQCNSQ-HNNXBMFYSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135680599 784227614 /nfs/dbraw/zinc/22/76/14/784227614.db2.gz XYMPHZIROLIMMX-HOTGVXAUSA-N 2 1 345.915 2.114 20 30 EEEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135689723 784249983 /nfs/dbraw/zinc/24/99/83/784249983.db2.gz AUSZVPMFFFLUBW-QZTJIDSGSA-N 2 1 339.524 2.328 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135976504 784925901 /nfs/dbraw/zinc/92/59/01/784925901.db2.gz KNECUBRHYWWAJS-HZPDHXFCSA-N 2 1 330.476 2.273 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)Cn3cnc4c3CCCC4)CCC[C@@H]12 ZINC001107473131 787343021 /nfs/dbraw/zinc/34/30/21/787343021.db2.gz CQWSGNCDCXEBAW-UYAOXDASSA-N 2 1 342.487 2.309 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC001107473131 787343026 /nfs/dbraw/zinc/34/30/26/787343026.db2.gz CQWSGNCDCXEBAW-UYAOXDASSA-N 2 1 342.487 2.309 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC001107473131 787343038 /nfs/dbraw/zinc/34/30/38/787343038.db2.gz CQWSGNCDCXEBAW-UYAOXDASSA-N 2 1 342.487 2.309 20 30 EEEDMP C[NH+](C)CCOc1cccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)c1 ZINC000822804172 787388667 /nfs/dbraw/zinc/38/86/67/787388667.db2.gz YMLFJTBCDAUHIJ-HNNXBMFYSA-N 2 1 329.404 2.371 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635755 805810526 /nfs/dbraw/zinc/81/05/26/805810526.db2.gz PWVZTPBUFWOBRO-YRXWBPOGSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635755 805810536 /nfs/dbraw/zinc/81/05/36/805810536.db2.gz PWVZTPBUFWOBRO-YRXWBPOGSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635755 805810546 /nfs/dbraw/zinc/81/05/46/805810546.db2.gz PWVZTPBUFWOBRO-YRXWBPOGSA-N 2 1 349.519 2.033 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000997005203 788432780 /nfs/dbraw/zinc/43/27/80/788432780.db2.gz HQADTNRUUDXYOL-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)[C@@H]1CCC[NH3+] ZINC000923388360 789483964 /nfs/dbraw/zinc/48/39/64/789483964.db2.gz IWDJOTGFKSLPRU-KBAYOESNSA-N 2 1 331.460 2.137 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137011 792872682 /nfs/dbraw/zinc/87/26/82/792872682.db2.gz LWHIWIXZNUXBEL-WSTZPKSXSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137011 792872695 /nfs/dbraw/zinc/87/26/95/792872695.db2.gz LWHIWIXZNUXBEL-WSTZPKSXSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137011 792872700 /nfs/dbraw/zinc/87/27/00/792872700.db2.gz LWHIWIXZNUXBEL-WSTZPKSXSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137011 792872710 /nfs/dbraw/zinc/87/27/10/792872710.db2.gz LWHIWIXZNUXBEL-WSTZPKSXSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@H]12 ZINC000992143456 792903851 /nfs/dbraw/zinc/90/38/51/792903851.db2.gz DOQJIDLUJZYYNV-HHXXYDBFSA-N 2 1 328.460 2.053 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@H]12 ZINC000992143456 792903856 /nfs/dbraw/zinc/90/38/56/792903856.db2.gz DOQJIDLUJZYYNV-HHXXYDBFSA-N 2 1 328.460 2.053 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079198858 794446080 /nfs/dbraw/zinc/44/60/80/794446080.db2.gz VXTHNJVYKROSOS-AYOQOUSVSA-N 2 1 345.462 2.380 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093120304 794653103 /nfs/dbraw/zinc/65/31/03/794653103.db2.gz GBTFPEWNPUNHGG-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120304 794653107 /nfs/dbraw/zinc/65/31/07/794653107.db2.gz GBTFPEWNPUNHGG-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120304 794653110 /nfs/dbraw/zinc/65/31/10/794653110.db2.gz GBTFPEWNPUNHGG-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001106156886 795132015 /nfs/dbraw/zinc/13/20/15/795132015.db2.gz UZRVMBMHWGVWHU-IIDMSEBBSA-N 2 1 345.491 2.050 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001106156886 795132020 /nfs/dbraw/zinc/13/20/20/795132020.db2.gz UZRVMBMHWGVWHU-IIDMSEBBSA-N 2 1 345.491 2.050 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001106266459 795312640 /nfs/dbraw/zinc/31/26/40/795312640.db2.gz KWVYHFFFEARNKZ-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001106266459 795312648 /nfs/dbraw/zinc/31/26/48/795312648.db2.gz KWVYHFFFEARNKZ-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)CCC=C)CC1 ZINC001110147134 795384391 /nfs/dbraw/zinc/38/43/91/795384391.db2.gz MEUZXUMRVLYLSS-RNQOJCNYSA-N 2 1 343.515 2.408 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036867587 795610727 /nfs/dbraw/zinc/61/07/27/795610727.db2.gz XEIGPIGHNLBPLJ-PMACEKPBSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441101 796014330 /nfs/dbraw/zinc/01/43/30/796014330.db2.gz AAOSKBTYMVOFHU-IIDMSEBBSA-N 2 1 325.472 2.212 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001080441101 796014338 /nfs/dbraw/zinc/01/43/38/796014338.db2.gz AAOSKBTYMVOFHU-IIDMSEBBSA-N 2 1 325.472 2.212 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001080441101 796014346 /nfs/dbraw/zinc/01/43/46/796014346.db2.gz AAOSKBTYMVOFHU-IIDMSEBBSA-N 2 1 325.472 2.212 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC)CC2 ZINC001094436287 796228648 /nfs/dbraw/zinc/22/86/48/796228648.db2.gz IQMURNMYAQPMPC-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC)CC2 ZINC001094436287 796228652 /nfs/dbraw/zinc/22/86/52/796228652.db2.gz IQMURNMYAQPMPC-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC)CC2 ZINC001094436287 796228656 /nfs/dbraw/zinc/22/86/56/796228656.db2.gz IQMURNMYAQPMPC-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC)CC2 ZINC001094436287 796228661 /nfs/dbraw/zinc/22/86/61/796228661.db2.gz IQMURNMYAQPMPC-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993579336 796806804 /nfs/dbraw/zinc/80/68/04/796806804.db2.gz SFCQUTUQNUOBOC-RDJZCZTQSA-N 2 1 339.443 2.426 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001106840211 797240499 /nfs/dbraw/zinc/24/04/99/797240499.db2.gz DIRMQANNHQZUIO-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082199010 797290770 /nfs/dbraw/zinc/29/07/70/797290770.db2.gz WNVMKBUYMVZQMC-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP Cc1c[nH+]c(CC[NH3+])n1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173422184 797441010 /nfs/dbraw/zinc/44/10/10/797441010.db2.gz JQBLULYARFGRCO-UHFFFAOYSA-N 2 1 337.427 2.042 20 30 EEEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001016340514 798727590 /nfs/dbraw/zinc/72/75/90/798727590.db2.gz XOKSLLXXKGOLFN-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001016340514 798727597 /nfs/dbraw/zinc/72/75/97/798727597.db2.gz XOKSLLXXKGOLFN-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001016340514 798727601 /nfs/dbraw/zinc/72/76/01/798727601.db2.gz XOKSLLXXKGOLFN-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001016340514 798727604 /nfs/dbraw/zinc/72/76/04/798727604.db2.gz XOKSLLXXKGOLFN-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001177158703 798780011 /nfs/dbraw/zinc/78/00/11/798780011.db2.gz ZHLYAUVUWMGTOY-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001177158703 798780014 /nfs/dbraw/zinc/78/00/14/798780014.db2.gz ZHLYAUVUWMGTOY-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181728004 800881631 /nfs/dbraw/zinc/88/16/31/800881631.db2.gz HRKFEKDQRVYXAS-GPMSIDNRSA-N 2 1 330.476 2.411 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183825760 801776123 /nfs/dbraw/zinc/77/61/23/801776123.db2.gz BZBXEDRJMMTNHO-MRXNPFEDSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC001085986993 801839987 /nfs/dbraw/zinc/83/99/87/801839987.db2.gz REINRHIMKNAAIK-IBGZPJMESA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001004458508 802123476 /nfs/dbraw/zinc/12/34/76/802123476.db2.gz PMOMOODATOMIAM-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001004458508 802123479 /nfs/dbraw/zinc/12/34/79/802123479.db2.gz PMOMOODATOMIAM-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004458508 802123481 /nfs/dbraw/zinc/12/34/81/802123481.db2.gz PMOMOODATOMIAM-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004458508 802123484 /nfs/dbraw/zinc/12/34/84/802123484.db2.gz PMOMOODATOMIAM-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001004487766 802192260 /nfs/dbraw/zinc/19/22/60/802192260.db2.gz FXHIEXHUZDLNIY-LJQANCHMSA-N 2 1 336.439 2.284 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004482749 802204581 /nfs/dbraw/zinc/20/45/81/802204581.db2.gz ROBKANIJPGUDAE-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001004522723 802286128 /nfs/dbraw/zinc/28/61/28/802286128.db2.gz OPGKCXNQYHBVTE-YSIASYRMSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004522723 802286134 /nfs/dbraw/zinc/28/61/34/802286134.db2.gz OPGKCXNQYHBVTE-YSIASYRMSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004522723 802286140 /nfs/dbraw/zinc/28/61/40/802286140.db2.gz OPGKCXNQYHBVTE-YSIASYRMSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001004549378 802351512 /nfs/dbraw/zinc/35/15/12/802351512.db2.gz YOERFWNGTGKMAP-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004549378 802351520 /nfs/dbraw/zinc/35/15/20/802351520.db2.gz YOERFWNGTGKMAP-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004549378 802351533 /nfs/dbraw/zinc/35/15/33/802351533.db2.gz YOERFWNGTGKMAP-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114290610 810780340 /nfs/dbraw/zinc/78/03/40/810780340.db2.gz KSGFFILBBJJWTC-INDMIFKZSA-N 2 1 331.504 2.121 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001129770907 810995251 /nfs/dbraw/zinc/99/52/51/810995251.db2.gz NGTGVDZOXIAIEY-MJGOQNOKSA-N 2 1 327.472 2.168 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001129770907 810995253 /nfs/dbraw/zinc/99/52/53/810995253.db2.gz NGTGVDZOXIAIEY-MJGOQNOKSA-N 2 1 327.472 2.168 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415345 811603625 /nfs/dbraw/zinc/60/36/25/811603625.db2.gz FSLCKVMDDJRQNR-HOTGVXAUSA-N 2 1 347.507 2.122 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001130710797 811959699 /nfs/dbraw/zinc/95/96/99/811959699.db2.gz FMMHZFBUPSCRQF-SFHVURJKSA-N 2 1 346.450 2.024 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001449036709 1094050345 /nfs/dbraw/zinc/05/03/45/1094050345.db2.gz MJOMOOOQFGEKLS-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccccc1C#N ZINC001480770229 1107082472 /nfs/dbraw/zinc/08/24/72/1107082472.db2.gz PUPJXFFIACXIJI-HNNXBMFYSA-N 2 1 328.460 2.027 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC001507293180 1115177218 /nfs/dbraw/zinc/17/72/18/1115177218.db2.gz PHKGVYKMFULASP-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC001507293420 1115177889 /nfs/dbraw/zinc/17/78/89/1115177889.db2.gz RTABMCGZUMOGDA-PBHICJAKSA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001507329853 1115195883 /nfs/dbraw/zinc/19/58/83/1115195883.db2.gz WYURFPBJWRWUBP-UONOGXRCSA-N 2 1 334.489 2.041 20 30 EEEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821548 218171321 /nfs/dbraw/zinc/17/13/21/218171321.db2.gz QQSVFTGEXKNRDP-INIZCTEOSA-N 2 1 330.476 2.311 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000104181510 533551015 /nfs/dbraw/zinc/55/10/15/533551015.db2.gz IGXQTGVQTFBWNN-INIZCTEOSA-N 2 1 348.491 2.229 20 30 EEEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247450615 160324933 /nfs/dbraw/zinc/32/49/33/160324933.db2.gz HKUHTNFFHONYNI-QZTJIDSGSA-N 2 1 331.460 2.104 20 30 EEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247450615 160324935 /nfs/dbraw/zinc/32/49/35/160324935.db2.gz HKUHTNFFHONYNI-QZTJIDSGSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247450615 160324936 /nfs/dbraw/zinc/32/49/36/160324936.db2.gz HKUHTNFFHONYNI-QZTJIDSGSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247450615 160324938 /nfs/dbraw/zinc/32/49/38/160324938.db2.gz HKUHTNFFHONYNI-QZTJIDSGSA-N 2 1 331.460 2.104 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CCC)C2)CC1 ZINC000074130103 462559802 /nfs/dbraw/zinc/55/98/02/462559802.db2.gz MCLKZJHDMDWDOK-QGZVFWFLSA-N 2 1 336.524 2.400 20 30 EEEDMP CC(C)CCNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190537433 464670251 /nfs/dbraw/zinc/67/02/51/464670251.db2.gz WCQOYYZNNCBPMA-GOSISDBHSA-N 2 1 332.492 2.228 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000359218224 465387052 /nfs/dbraw/zinc/38/70/52/465387052.db2.gz DFJUPZCAVJOZQY-WMZOPIPTSA-N 2 1 334.508 2.221 20 30 EEEDMP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000329997492 465501356 /nfs/dbraw/zinc/50/13/56/465501356.db2.gz QQMQOVSJDYIAIZ-CQSZACIVSA-N 2 1 330.436 2.012 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000329997492 465501360 /nfs/dbraw/zinc/50/13/60/465501360.db2.gz QQMQOVSJDYIAIZ-CQSZACIVSA-N 2 1 330.436 2.012 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000490594220 468224041 /nfs/dbraw/zinc/22/40/41/468224041.db2.gz NMLQPSTUHBZNHF-YLJYHZDGSA-N 2 1 339.483 2.283 20 30 EEEDMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595620636 468926043 /nfs/dbraw/zinc/92/60/43/468926043.db2.gz NYZHLJYYYRVIIQ-FUHWJXTLSA-N 2 1 328.460 2.031 20 30 EEEDMP N#CC[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@@H](CC#N)C3)COC2)C1 ZINC000595619826 468926569 /nfs/dbraw/zinc/92/65/69/468926569.db2.gz HDZJJHBZSMMANO-ROUUACIJSA-N 2 1 330.476 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC=C)CC1 ZINC000969156568 674648419 /nfs/dbraw/zinc/64/84/19/674648419.db2.gz WURFZENIEQQTTH-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C/C=C\Cl)CC1 ZINC001021469737 676118781 /nfs/dbraw/zinc/11/87/81/676118781.db2.gz JVOMUMZVECFGBX-NQWOYHEOSA-N 2 1 349.906 2.196 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681054 676336187 /nfs/dbraw/zinc/33/61/87/676336187.db2.gz DOAAPKNHVIKZBS-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681054 676336189 /nfs/dbraw/zinc/33/61/89/676336189.db2.gz DOAAPKNHVIKZBS-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947497693 678310858 /nfs/dbraw/zinc/31/08/58/678310858.db2.gz LCXZICCSMQPWSY-LSDHHAIUSA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947497693 678310861 /nfs/dbraw/zinc/31/08/61/678310861.db2.gz LCXZICCSMQPWSY-LSDHHAIUSA-N 2 1 325.884 2.336 20 30 EEEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000972387255 678634765 /nfs/dbraw/zinc/63/47/65/678634765.db2.gz NMDOJDRQZJNRGI-HXUWFJFHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000972386652 678636872 /nfs/dbraw/zinc/63/68/72/678636872.db2.gz FZXWAQZTZUEJHU-HXUWFJFHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000972386652 678636876 /nfs/dbraw/zinc/63/68/76/678636876.db2.gz FZXWAQZTZUEJHU-HXUWFJFHSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)C1 ZINC000889021913 678822708 /nfs/dbraw/zinc/82/27/08/678822708.db2.gz RPSSNEVNNRISLK-ULQDDVLXSA-N 2 1 346.475 2.106 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)C1 ZINC000889021913 678822713 /nfs/dbraw/zinc/82/27/13/678822713.db2.gz RPSSNEVNNRISLK-ULQDDVLXSA-N 2 1 346.475 2.106 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450168 679315740 /nfs/dbraw/zinc/31/57/40/679315740.db2.gz FNPWTPYXEUIQNJ-MRXNPFEDSA-N 2 1 339.911 2.443 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450168 679315743 /nfs/dbraw/zinc/31/57/43/679315743.db2.gz FNPWTPYXEUIQNJ-MRXNPFEDSA-N 2 1 339.911 2.443 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604916 679410657 /nfs/dbraw/zinc/41/06/57/679410657.db2.gz UCFWAEIQWPFXBT-SXLOBPIMSA-N 2 1 341.499 2.346 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604916 679410658 /nfs/dbraw/zinc/41/06/58/679410658.db2.gz UCFWAEIQWPFXBT-SXLOBPIMSA-N 2 1 341.499 2.346 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604916 679410660 /nfs/dbraw/zinc/41/06/60/679410660.db2.gz UCFWAEIQWPFXBT-SXLOBPIMSA-N 2 1 341.499 2.346 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982833414 681356479 /nfs/dbraw/zinc/35/64/79/681356479.db2.gz KHENMGUESMGZAO-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982555531 681640615 /nfs/dbraw/zinc/64/06/15/681640615.db2.gz ALXYSMPDNSOCTL-UWIFEVILSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982555531 681640618 /nfs/dbraw/zinc/64/06/18/681640618.db2.gz ALXYSMPDNSOCTL-UWIFEVILSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982555531 681640619 /nfs/dbraw/zinc/64/06/19/681640619.db2.gz ALXYSMPDNSOCTL-UWIFEVILSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982555531 681640622 /nfs/dbraw/zinc/64/06/22/681640622.db2.gz ALXYSMPDNSOCTL-UWIFEVILSA-N 2 1 339.911 2.107 20 30 EEEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@]2(C)C1 ZINC000982555843 681641436 /nfs/dbraw/zinc/64/14/36/681641436.db2.gz FFKLMROHKSVGLM-HSALFYBXSA-N 2 1 349.494 2.003 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001020239296 683565320 /nfs/dbraw/zinc/56/53/20/683565320.db2.gz WACRICNLQUENNY-DZKIICNBSA-N 2 1 325.884 2.383 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001026505268 684701122 /nfs/dbraw/zinc/70/11/22/684701122.db2.gz WHTTUABVVPABJD-TVPLGVNVSA-N 2 1 349.519 2.223 20 30 EEEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608715 685122909 /nfs/dbraw/zinc/12/29/09/685122909.db2.gz XXTMHKAIZWRRCH-AEFFLSMTSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608715 685122912 /nfs/dbraw/zinc/12/29/12/685122912.db2.gz XXTMHKAIZWRRCH-AEFFLSMTSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608715 685122919 /nfs/dbraw/zinc/12/29/19/685122919.db2.gz XXTMHKAIZWRRCH-AEFFLSMTSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991013849 694186753 /nfs/dbraw/zinc/18/67/53/694186753.db2.gz AIUAHTCBOHQBSD-CMKODMSKSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991013849 694186756 /nfs/dbraw/zinc/18/67/56/694186756.db2.gz AIUAHTCBOHQBSD-CMKODMSKSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991013849 694186759 /nfs/dbraw/zinc/18/67/59/694186759.db2.gz AIUAHTCBOHQBSD-CMKODMSKSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943333619 1192200321 /nfs/dbraw/zinc/20/03/21/1192200321.db2.gz JAZYIDRZAVJQIC-XJKSGUPXSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943333619 1192200322 /nfs/dbraw/zinc/20/03/22/1192200322.db2.gz JAZYIDRZAVJQIC-XJKSGUPXSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481502311 1181579294 /nfs/dbraw/zinc/57/92/94/1181579294.db2.gz KVBVPPVZYSYVGU-MRXNPFEDSA-N 2 1 327.900 2.251 20 30 EEEDMP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001105446401 1187198397 /nfs/dbraw/zinc/19/83/97/1187198397.db2.gz KJQKOUQKJLXKDM-HFSMHLIXSA-N 2 1 341.499 2.320 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)C[C@H](F)CC)C(C)C)CC1 ZINC001755815619 1187548073 /nfs/dbraw/zinc/54/80/73/1187548073.db2.gz QAVHGTIGQJRLCO-GOSISDBHSA-N 2 1 339.499 2.249 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)C[C@H](F)CC)C(C)C)CC1 ZINC001755815619 1187548077 /nfs/dbraw/zinc/54/80/77/1187548077.db2.gz QAVHGTIGQJRLCO-GOSISDBHSA-N 2 1 339.499 2.249 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001755851327 1187670162 /nfs/dbraw/zinc/67/01/62/1187670162.db2.gz HTFCXYQFDWMJHN-ZIAGYGMSSA-N 2 1 335.414 2.273 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001034763393 1196693625 /nfs/dbraw/zinc/69/36/25/1196693625.db2.gz QRMQWLPRKQYQRN-QAQDUYKDSA-N 2 1 339.443 2.474 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001132274052 1199522503 /nfs/dbraw/zinc/52/25/03/1199522503.db2.gz NVXRRCCWFFAMMR-QFBILLFUSA-N 2 1 345.462 2.098 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001132274052 1199522505 /nfs/dbraw/zinc/52/25/05/1199522505.db2.gz NVXRRCCWFFAMMR-QFBILLFUSA-N 2 1 345.462 2.098 20 30 EEEDMP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001133392738 1200851083 /nfs/dbraw/zinc/85/10/83/1200851083.db2.gz KXQCHBBMKZZMIC-SFHVURJKSA-N 2 1 347.890 2.376 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131047 1204211968 /nfs/dbraw/zinc/21/19/68/1204211968.db2.gz PZLRBOOUNCBSME-IAGOWNOFSA-N 2 1 328.460 2.181 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131047 1204211970 /nfs/dbraw/zinc/21/19/70/1204211970.db2.gz PZLRBOOUNCBSME-IAGOWNOFSA-N 2 1 328.460 2.181 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(C#N)ccc1Cl)C2 ZINC001275312488 1205306249 /nfs/dbraw/zinc/30/62/49/1205306249.db2.gz UVIRKJDFELEHFL-WBVHZDCISA-N 2 1 332.879 2.279 20 30 EEEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001275828912 1205553976 /nfs/dbraw/zinc/55/39/76/1205553976.db2.gz LZQKJRDXLXLQRB-FQEVSTJZSA-N 2 1 326.488 2.408 20 30 EEEDMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2CC1 ZINC001275965779 1205606122 /nfs/dbraw/zinc/60/61/22/1205606122.db2.gz QVZSALKTNNMJQY-BGYRXZFFSA-N 2 1 343.471 2.323 20 30 EEEDMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2CC1 ZINC001275965779 1205606123 /nfs/dbraw/zinc/60/61/23/1205606123.db2.gz QVZSALKTNNMJQY-BGYRXZFFSA-N 2 1 343.471 2.323 20 30 EEEDMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2CC1 ZINC001275965779 1205606124 /nfs/dbraw/zinc/60/61/24/1205606124.db2.gz QVZSALKTNNMJQY-BGYRXZFFSA-N 2 1 343.471 2.323 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001095556484 1205873114 /nfs/dbraw/zinc/87/31/14/1205873114.db2.gz UDOLEVQSRMSCEG-FYQPLNBISA-N 2 1 341.499 2.306 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111096902 1208166974 /nfs/dbraw/zinc/16/69/74/1208166974.db2.gz CBTJARYJBACQMJ-MKXGPGLRSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948056882 1208846906 /nfs/dbraw/zinc/84/69/06/1208846906.db2.gz NKEPJYHPBIYIFS-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(=C)C)[C@H](C)C2)CC1 ZINC000948070699 1208854356 /nfs/dbraw/zinc/85/43/56/1208854356.db2.gz RHDXROGRYHQFOZ-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948778989 1209370892 /nfs/dbraw/zinc/37/08/92/1209370892.db2.gz HKVFINDSKRAPTC-GDBMZVCRSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)C ZINC000960277984 1216467280 /nfs/dbraw/zinc/46/72/80/1216467280.db2.gz KIBLWTNZWMSJDD-HSALFYBXSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)C ZINC000960277984 1216467283 /nfs/dbraw/zinc/46/72/83/1216467283.db2.gz KIBLWTNZWMSJDD-HSALFYBXSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000961364903 1217159266 /nfs/dbraw/zinc/15/92/66/1217159266.db2.gz BDOFTKOLAABZSG-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961364903 1217159267 /nfs/dbraw/zinc/15/92/67/1217159267.db2.gz BDOFTKOLAABZSG-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961364903 1217159269 /nfs/dbraw/zinc/15/92/69/1217159269.db2.gz BDOFTKOLAABZSG-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000961375544 1217163605 /nfs/dbraw/zinc/16/36/05/1217163605.db2.gz OQDPBUKTWSSKMF-MOPGFXCFSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CCF)C2)CC1 ZINC000961375544 1217163608 /nfs/dbraw/zinc/16/36/08/1217163608.db2.gz OQDPBUKTWSSKMF-MOPGFXCFSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CCF)C2)CC1 ZINC000961375544 1217163610 /nfs/dbraw/zinc/16/36/10/1217163610.db2.gz OQDPBUKTWSSKMF-MOPGFXCFSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CCF)C2)CC1 ZINC000961375544 1217163613 /nfs/dbraw/zinc/16/36/13/1217163613.db2.gz OQDPBUKTWSSKMF-MOPGFXCFSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000961376472 1217164484 /nfs/dbraw/zinc/16/44/84/1217164484.db2.gz TWQFNYPREIKZKD-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000961376472 1217164486 /nfs/dbraw/zinc/16/44/86/1217164486.db2.gz TWQFNYPREIKZKD-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000961376472 1217164488 /nfs/dbraw/zinc/16/44/88/1217164488.db2.gz TWQFNYPREIKZKD-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000961376472 1217164489 /nfs/dbraw/zinc/16/44/89/1217164489.db2.gz TWQFNYPREIKZKD-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961386382 1217169338 /nfs/dbraw/zinc/16/93/38/1217169338.db2.gz YTNCLGIGPVQUJC-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961386382 1217169339 /nfs/dbraw/zinc/16/93/39/1217169339.db2.gz YTNCLGIGPVQUJC-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337328 1217532309 /nfs/dbraw/zinc/53/23/09/1217532309.db2.gz NYRPIJMLHYEUEW-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337328 1217532312 /nfs/dbraw/zinc/53/23/12/1217532312.db2.gz NYRPIJMLHYEUEW-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000963934269 1218136434 /nfs/dbraw/zinc/13/64/34/1218136434.db2.gz VASMOWWZFPKIGB-SIBBFIEHSA-N 2 1 328.460 2.354 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002124 1221730569 /nfs/dbraw/zinc/73/05/69/1221730569.db2.gz LIFIFBRTQOFYEB-MSOLQXFVSA-N 2 1 342.487 2.138 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002124 1221730571 /nfs/dbraw/zinc/73/05/71/1221730571.db2.gz LIFIFBRTQOFYEB-MSOLQXFVSA-N 2 1 342.487 2.138 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007961510 1222532611 /nfs/dbraw/zinc/53/26/11/1222532611.db2.gz KMCYJHNRTYZMJI-INIZCTEOSA-N 2 1 330.476 2.309 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007961510 1222532613 /nfs/dbraw/zinc/53/26/13/1222532613.db2.gz KMCYJHNRTYZMJI-INIZCTEOSA-N 2 1 330.476 2.309 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173036 1230398490 /nfs/dbraw/zinc/39/84/90/1230398490.db2.gz LOAOKSSQEZTAGE-KRWDZBQOSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039249565 1230485939 /nfs/dbraw/zinc/48/59/39/1230485939.db2.gz CADDMEAYNSHBBB-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001039437471 1230609438 /nfs/dbraw/zinc/60/94/38/1230609438.db2.gz LZJHTKJWUDTZEA-ZACQAIPSSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001039437471 1230609441 /nfs/dbraw/zinc/60/94/41/1230609441.db2.gz LZJHTKJWUDTZEA-ZACQAIPSSA-N 2 1 328.460 2.005 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001039458445 1230624816 /nfs/dbraw/zinc/62/48/16/1230624816.db2.gz WFBALUVRORZFIC-CEXWTWQISA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001039458445 1230624819 /nfs/dbraw/zinc/62/48/19/1230624819.db2.gz WFBALUVRORZFIC-CEXWTWQISA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001039458445 1230624821 /nfs/dbraw/zinc/62/48/21/1230624821.db2.gz WFBALUVRORZFIC-CEXWTWQISA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001039458445 1230624823 /nfs/dbraw/zinc/62/48/23/1230624823.db2.gz WFBALUVRORZFIC-CEXWTWQISA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(C)C)C3)CC1 ZINC001040542378 1231284223 /nfs/dbraw/zinc/28/42/23/1231284223.db2.gz HSDIXHRWJFDNRM-NRFANRHFSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041348182 1231514597 /nfs/dbraw/zinc/51/45/97/1231514597.db2.gz GYKVRTJEBJQVGT-ICSRJNTNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348182 1231514600 /nfs/dbraw/zinc/51/46/00/1231514600.db2.gz GYKVRTJEBJQVGT-ICSRJNTNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348182 1231514601 /nfs/dbraw/zinc/51/46/01/1231514601.db2.gz GYKVRTJEBJQVGT-ICSRJNTNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001041356171 1231517853 /nfs/dbraw/zinc/51/78/53/1231517853.db2.gz UMULKZNAAIFWIJ-QGZVFWFLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001041356171 1231517854 /nfs/dbraw/zinc/51/78/54/1231517854.db2.gz UMULKZNAAIFWIJ-QGZVFWFLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041356171 1231517855 /nfs/dbraw/zinc/51/78/55/1231517855.db2.gz UMULKZNAAIFWIJ-QGZVFWFLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041356171 1231517857 /nfs/dbraw/zinc/51/78/57/1231517857.db2.gz UMULKZNAAIFWIJ-QGZVFWFLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041680817 1231648417 /nfs/dbraw/zinc/64/84/17/1231648417.db2.gz VWEJQILIKMKWAJ-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041680817 1231648419 /nfs/dbraw/zinc/64/84/19/1231648419.db2.gz VWEJQILIKMKWAJ-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785191 1231693414 /nfs/dbraw/zinc/69/34/14/1231693414.db2.gz CFGJHQNWTGIRDI-WBVHZDCISA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785191 1231693415 /nfs/dbraw/zinc/69/34/15/1231693415.db2.gz CFGJHQNWTGIRDI-WBVHZDCISA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785191 1231693417 /nfs/dbraw/zinc/69/34/17/1231693417.db2.gz CFGJHQNWTGIRDI-WBVHZDCISA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785191 1231693420 /nfs/dbraw/zinc/69/34/20/1231693420.db2.gz CFGJHQNWTGIRDI-WBVHZDCISA-N 2 1 325.884 2.005 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845922 1231728998 /nfs/dbraw/zinc/72/89/98/1231728998.db2.gz RVXLSXJXFGDVOM-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042369662 1232051126 /nfs/dbraw/zinc/05/11/26/1232051126.db2.gz ZSBQUERLZZMATF-XLIONFOSSA-N 2 1 339.483 2.308 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960199 1234234346 /nfs/dbraw/zinc/23/43/46/1234234346.db2.gz GFQUTRJVDIEQIH-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263225 1235772706 /nfs/dbraw/zinc/77/27/06/1235772706.db2.gz CBLUHLNCZGKWQM-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048527695 1237871599 /nfs/dbraw/zinc/87/15/99/1237871599.db2.gz RXIDVQMHPKTONO-RDGPPVDQSA-N 2 1 331.504 2.242 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048527695 1237871612 /nfs/dbraw/zinc/87/16/12/1237871612.db2.gz RXIDVQMHPKTONO-RDGPPVDQSA-N 2 1 331.504 2.242 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001048527695 1237871620 /nfs/dbraw/zinc/87/16/20/1237871620.db2.gz RXIDVQMHPKTONO-RDGPPVDQSA-N 2 1 331.504 2.242 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001048885387 1239135485 /nfs/dbraw/zinc/13/54/85/1239135485.db2.gz RFBNWQNRRVDZSP-IYBDPMFKSA-N 2 1 337.895 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048960365 1239580672 /nfs/dbraw/zinc/58/06/72/1239580672.db2.gz YRCCANDYNRLMCU-BBWFWOEESA-N 2 1 337.895 2.004 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC001000154970 1240005545 /nfs/dbraw/zinc/00/55/45/1240005545.db2.gz QCMNSFQISDFBDM-MJGOQNOKSA-N 2 1 343.515 2.245 20 30 EEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001001478167 1242348071 /nfs/dbraw/zinc/34/80/71/1242348071.db2.gz YBDVXJAIQCSFBV-IBGZPJMESA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846542 1242402421 /nfs/dbraw/zinc/40/24/21/1242402421.db2.gz JPYSHPOGAZKDBP-QZTJIDSGSA-N 2 1 328.460 2.403 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846542 1242402428 /nfs/dbraw/zinc/40/24/28/1242402428.db2.gz JPYSHPOGAZKDBP-QZTJIDSGSA-N 2 1 328.460 2.403 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846489 1242403419 /nfs/dbraw/zinc/40/34/19/1242403419.db2.gz IVKVSNIEHISRBG-MSOLQXFVSA-N 2 1 328.460 2.403 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846489 1242403429 /nfs/dbraw/zinc/40/34/29/1242403429.db2.gz IVKVSNIEHISRBG-MSOLQXFVSA-N 2 1 328.460 2.403 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCC(=C)C)CC1 ZINC001049909353 1242655597 /nfs/dbraw/zinc/65/55/97/1242655597.db2.gz AHDSYULJNQZMFQ-UXHICEINSA-N 2 1 343.515 2.363 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050066361 1242765595 /nfs/dbraw/zinc/76/55/95/1242765595.db2.gz ICXAZMONUUMJFG-GBESFXJTSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050066361 1242765601 /nfs/dbraw/zinc/76/56/01/1242765601.db2.gz ICXAZMONUUMJFG-GBESFXJTSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050066361 1242765613 /nfs/dbraw/zinc/76/56/13/1242765613.db2.gz ICXAZMONUUMJFG-GBESFXJTSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)CC2)CC1 ZINC001052953730 1245545368 /nfs/dbraw/zinc/54/53/68/1245545368.db2.gz GYEMCFGGASEOEO-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053027609 1245705484 /nfs/dbraw/zinc/70/54/84/1245705484.db2.gz FKUAVYBORIJJST-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027609 1245705491 /nfs/dbraw/zinc/70/54/91/1245705491.db2.gz FKUAVYBORIJJST-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027609 1245705496 /nfs/dbraw/zinc/70/54/96/1245705496.db2.gz FKUAVYBORIJJST-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029940 1245715253 /nfs/dbraw/zinc/71/52/53/1245715253.db2.gz YRGPFMKQOIWGST-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095197 1245891420 /nfs/dbraw/zinc/89/14/20/1245891420.db2.gz IHDCOURIWPIHRN-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001054050249 1247237114 /nfs/dbraw/zinc/23/71/14/1247237114.db2.gz XBDALNZKGZRLHX-QRFRQXIXSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001054050249 1247237122 /nfs/dbraw/zinc/23/71/22/1247237122.db2.gz XBDALNZKGZRLHX-QRFRQXIXSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001054050249 1247237132 /nfs/dbraw/zinc/23/71/32/1247237132.db2.gz XBDALNZKGZRLHX-QRFRQXIXSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001054050249 1247237135 /nfs/dbraw/zinc/23/71/35/1247237135.db2.gz XBDALNZKGZRLHX-QRFRQXIXSA-N 2 1 341.499 2.446 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129269 1247471301 /nfs/dbraw/zinc/47/13/01/1247471301.db2.gz NWBRKAQTJOUZCS-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129269 1247471305 /nfs/dbraw/zinc/47/13/05/1247471305.db2.gz NWBRKAQTJOUZCS-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129269 1247471311 /nfs/dbraw/zinc/47/13/11/1247471311.db2.gz NWBRKAQTJOUZCS-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219682 1247751927 /nfs/dbraw/zinc/75/19/27/1247751927.db2.gz SDZHZPDMIQECAH-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054240925 1247840393 /nfs/dbraw/zinc/84/03/93/1247840393.db2.gz GFIUOCINGMWAEC-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054240925 1247840410 /nfs/dbraw/zinc/84/04/10/1247840410.db2.gz GFIUOCINGMWAEC-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](CCC)C3)C2)CC1 ZINC001054245292 1247860104 /nfs/dbraw/zinc/86/01/04/1247860104.db2.gz QSCHNQPIWYBMKG-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071676999 1254498457 /nfs/dbraw/zinc/49/84/57/1254498457.db2.gz QOCFDKVTZVJGFM-CVEARBPZSA-N 2 1 339.443 2.426 20 30 EEEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+]1CCCCC1 ZINC001099552972 1258201106 /nfs/dbraw/zinc/20/11/06/1258201106.db2.gz QJNUWGQPVHFNII-YRPNKDGESA-N 2 1 343.515 2.055 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001100901950 1259414385 /nfs/dbraw/zinc/41/43/85/1259414385.db2.gz XAFNROHNBVVQAT-UHFFFAOYSA-N 2 1 346.450 2.024 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001100901881 1259414779 /nfs/dbraw/zinc/41/47/79/1259414779.db2.gz SMOGOBNAZGMKKZ-UHFFFAOYSA-N 2 1 346.450 2.024 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001184819503 1278589731 /nfs/dbraw/zinc/58/97/31/1278589731.db2.gz BPZLCQCQZVVICD-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP C[N@H+]1CCC[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001186365179 1279069589 /nfs/dbraw/zinc/06/95/89/1279069589.db2.gz ZWUPWVSITJRWIJ-SFHVURJKSA-N 2 1 340.471 2.003 20 30 EEEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190248017 1280757580 /nfs/dbraw/zinc/75/75/80/1280757580.db2.gz WORKYEIETZKQCC-DLBZAZTESA-N 2 1 348.491 2.132 20 30 EEEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190248017 1280757588 /nfs/dbraw/zinc/75/75/88/1280757588.db2.gz WORKYEIETZKQCC-DLBZAZTESA-N 2 1 348.491 2.132 20 30 EEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191382299 1281344789 /nfs/dbraw/zinc/34/47/89/1281344789.db2.gz BPKOOTQMCIMCGV-MRXNPFEDSA-N 2 1 330.476 2.261 20 30 EEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191382299 1281344794 /nfs/dbraw/zinc/34/47/94/1281344794.db2.gz BPKOOTQMCIMCGV-MRXNPFEDSA-N 2 1 330.476 2.261 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110717737 1293719569 /nfs/dbraw/zinc/71/95/69/1293719569.db2.gz FOYRHYPJYKEBKE-KURKYZTESA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213502776 1296059597 /nfs/dbraw/zinc/05/95/97/1296059597.db2.gz WSFOLONFMRXMGC-BRWVUGGUSA-N 2 1 348.491 2.177 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213502776 1296059611 /nfs/dbraw/zinc/05/96/11/1296059611.db2.gz WSFOLONFMRXMGC-BRWVUGGUSA-N 2 1 348.491 2.177 20 30 EEEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCCOC2)cc1C#N ZINC001276718787 1296758932 /nfs/dbraw/zinc/75/89/32/1296758932.db2.gz KXUIQABCPHICBJ-BPIHKTFHSA-N 2 1 342.487 2.408 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098874867 1298732798 /nfs/dbraw/zinc/73/27/98/1298732798.db2.gz ILOADAPOMUCYKF-BJLQDIEVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098874867 1298732808 /nfs/dbraw/zinc/73/28/08/1298732808.db2.gz ILOADAPOMUCYKF-BJLQDIEVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098874867 1298732813 /nfs/dbraw/zinc/73/28/13/1298732813.db2.gz ILOADAPOMUCYKF-BJLQDIEVSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCCCC[NH+]1CC2(C1)CC[C@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001276885982 1300111128 /nfs/dbraw/zinc/11/11/28/1300111128.db2.gz SXPBLDPFPPKMBV-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001226861022 1301587837 /nfs/dbraw/zinc/58/78/37/1301587837.db2.gz ZZDFCIMBZIMDKX-KURKYZTESA-N 2 1 337.483 2.241 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001226861022 1301587843 /nfs/dbraw/zinc/58/78/43/1301587843.db2.gz ZZDFCIMBZIMDKX-KURKYZTESA-N 2 1 337.483 2.241 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001228640536 1302351720 /nfs/dbraw/zinc/35/17/20/1302351720.db2.gz ZDSBUNDDMZHQKI-WOJBJXKFSA-N 2 1 341.499 2.201 20 30 EEEDMP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001229073466 1302599263 /nfs/dbraw/zinc/59/92/63/1302599263.db2.gz IVXNOFUPBRJLAK-QGZVFWFLSA-N 2 1 348.516 2.287 20 30 EEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141318 1302639082 /nfs/dbraw/zinc/63/90/82/1302639082.db2.gz BDAXNKOMSQBIAU-RCCFBDPRSA-N 2 1 337.508 2.080 20 30 EEEDMP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1)[NH+](C)C ZINC001229223561 1302683165 /nfs/dbraw/zinc/68/31/65/1302683165.db2.gz NOSKKZUUWGKWGB-SFHVURJKSA-N 2 1 346.450 2.118 20 30 EEEDMP CCCCCCC[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229633285 1302900619 /nfs/dbraw/zinc/90/06/19/1302900619.db2.gz AEKCDJMAKFALKC-UHFFFAOYSA-N 2 1 339.524 2.260 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)Cc1[nH]cnc1C)Cc1cccnc1 ZINC001230912164 1303543531 /nfs/dbraw/zinc/54/35/31/1303543531.db2.gz YFTMCKKYJYCGKT-UHFFFAOYSA-N 2 1 341.459 2.240 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111906196 1304072011 /nfs/dbraw/zinc/07/20/11/1304072011.db2.gz WSWLQBOLPOANMY-HBFSDRIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111906196 1304072013 /nfs/dbraw/zinc/07/20/13/1304072013.db2.gz WSWLQBOLPOANMY-HBFSDRIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166412 1304290488 /nfs/dbraw/zinc/29/04/88/1304290488.db2.gz SHRCVSMVAVUDIB-RRFJBIMHSA-N 2 1 347.425 2.416 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC001115128259 1304718436 /nfs/dbraw/zinc/71/84/36/1304718436.db2.gz IOEPEQIJKRTUDH-KMANFZQXSA-N 2 1 328.460 2.162 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC001115128259 1304718441 /nfs/dbraw/zinc/71/84/41/1304718441.db2.gz IOEPEQIJKRTUDH-KMANFZQXSA-N 2 1 328.460 2.162 20 30 EEEDMP CC(=O)[C@@H](C)[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001277888355 1305022241 /nfs/dbraw/zinc/02/22/41/1305022241.db2.gz IBWLFHIWMDDMBH-ZMYBRWDISA-N 2 1 328.460 2.399 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCCC=C ZINC001235455981 1305239390 /nfs/dbraw/zinc/23/93/90/1305239390.db2.gz SWYIRVDKBKIIEA-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCCCC=C ZINC001235455981 1305239394 /nfs/dbraw/zinc/23/93/94/1305239394.db2.gz SWYIRVDKBKIIEA-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCCCC=C ZINC001235455981 1305239399 /nfs/dbraw/zinc/23/93/99/1305239399.db2.gz SWYIRVDKBKIIEA-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCCCC=C ZINC001235455981 1305239404 /nfs/dbraw/zinc/23/94/04/1305239404.db2.gz SWYIRVDKBKIIEA-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115573926 1305400679 /nfs/dbraw/zinc/40/06/79/1305400679.db2.gz YMXKGTDTDUKUOR-GOSISDBHSA-N 2 1 331.504 2.435 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001149818210 1316055917 /nfs/dbraw/zinc/05/59/17/1316055917.db2.gz QLAPEZIYFQVZOE-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001149818210 1316055920 /nfs/dbraw/zinc/05/59/20/1316055920.db2.gz QLAPEZIYFQVZOE-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001149818210 1316055925 /nfs/dbraw/zinc/05/59/25/1316055925.db2.gz QLAPEZIYFQVZOE-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001149881428 1316077417 /nfs/dbraw/zinc/07/74/17/1316077417.db2.gz NPYLWNMJBVYXEX-SFHVURJKSA-N 2 1 349.519 2.036 20 30 EEEDMP CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240097 1316211963 /nfs/dbraw/zinc/21/19/63/1316211963.db2.gz BOAVSYZRVVVQPI-QGZVFWFLSA-N 2 1 327.513 2.116 20 30 EEEDMP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001152529488 1316684216 /nfs/dbraw/zinc/68/42/16/1316684216.db2.gz PVHVLAHCZZNRAR-FQEVSTJZSA-N 2 1 335.451 2.047 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854661 1316900997 /nfs/dbraw/zinc/90/09/97/1316900997.db2.gz OKFYINVHTMHGAO-CQSZACIVSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854661 1316900998 /nfs/dbraw/zinc/90/09/98/1316900998.db2.gz OKFYINVHTMHGAO-CQSZACIVSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854661 1316900999 /nfs/dbraw/zinc/90/09/99/1316900999.db2.gz OKFYINVHTMHGAO-CQSZACIVSA-N 2 1 348.516 2.431 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCC1CCC1 ZINC001153868062 1316904831 /nfs/dbraw/zinc/90/48/31/1316904831.db2.gz KYQPZFCWLRPCOD-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCC1CCC1 ZINC001153868062 1316904833 /nfs/dbraw/zinc/90/48/33/1316904833.db2.gz KYQPZFCWLRPCOD-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCC1CCC1 ZINC001153868062 1316904834 /nfs/dbraw/zinc/90/48/34/1316904834.db2.gz KYQPZFCWLRPCOD-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC1CCC1 ZINC001153868062 1316904836 /nfs/dbraw/zinc/90/48/36/1316904836.db2.gz KYQPZFCWLRPCOD-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC1CCC1 ZINC001153868062 1316904838 /nfs/dbraw/zinc/90/48/38/1316904838.db2.gz KYQPZFCWLRPCOD-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001153998133 1316933172 /nfs/dbraw/zinc/93/31/72/1316933172.db2.gz JUUBDZQNESQIOS-RDTXWAMCSA-N 2 1 348.466 2.364 20 30 EEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001155314319 1317548577 /nfs/dbraw/zinc/54/85/77/1317548577.db2.gz UOOUOURCKMYKLH-CVEARBPZSA-N 2 1 345.915 2.066 20 30 EEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001155314319 1317548581 /nfs/dbraw/zinc/54/85/81/1317548581.db2.gz UOOUOURCKMYKLH-CVEARBPZSA-N 2 1 345.915 2.066 20 30 EEEDMP C=C[C@](C)(O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252552425 1317633938 /nfs/dbraw/zinc/63/39/38/1317633938.db2.gz JSJCVDSBNIMDAW-OALUTQOASA-N 2 1 345.487 2.074 20 30 EEEDMP N#C[C@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663485 1318160940 /nfs/dbraw/zinc/16/09/40/1318160940.db2.gz CBTMYJVYKKKBEU-OJAHFUOMSA-N 2 1 340.471 2.297 20 30 EEEDMP N#C[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663485 1318160942 /nfs/dbraw/zinc/16/09/42/1318160942.db2.gz CBTMYJVYKKKBEU-OJAHFUOMSA-N 2 1 340.471 2.297 20 30 EEEDMP N#C[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663485 1318160943 /nfs/dbraw/zinc/16/09/43/1318160943.db2.gz CBTMYJVYKKKBEU-OJAHFUOMSA-N 2 1 340.471 2.297 20 30 EEEDMP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157014475 1318347953 /nfs/dbraw/zinc/34/79/53/1318347953.db2.gz YUMZBLORZCAWFI-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157014475 1318347961 /nfs/dbraw/zinc/34/79/61/1318347961.db2.gz YUMZBLORZCAWFI-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001157014475 1318347967 /nfs/dbraw/zinc/34/79/67/1318347967.db2.gz YUMZBLORZCAWFI-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001157014475 1318347975 /nfs/dbraw/zinc/34/79/75/1318347975.db2.gz YUMZBLORZCAWFI-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112860 1318416100 /nfs/dbraw/zinc/41/61/00/1318416100.db2.gz BBLQMNYIYGDHBR-MRXNPFEDSA-N 2 1 330.476 2.225 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001160491901 1320175256 /nfs/dbraw/zinc/17/52/56/1320175256.db2.gz KSHCDOGLDFHYJE-UHFFFAOYSA-N 2 1 349.519 2.059 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879609 1320658789 /nfs/dbraw/zinc/65/87/89/1320658789.db2.gz QOQQTOFGXVBOGQ-GOSISDBHSA-N 2 1 349.519 2.059 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001162832366 1320970329 /nfs/dbraw/zinc/97/03/29/1320970329.db2.gz PSPCXELHIGSBRB-UHFFFAOYSA-N 2 1 341.499 2.155 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001162982839 1321004235 /nfs/dbraw/zinc/00/42/35/1321004235.db2.gz REHBWHUGWXLXPB-HXUWFJFHSA-N 2 1 341.499 2.012 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242953 1322329273 /nfs/dbraw/zinc/32/92/73/1322329273.db2.gz XCXFCTBHGPYAAM-INIZCTEOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001263097574 1322433289 /nfs/dbraw/zinc/43/32/89/1322433289.db2.gz CDMMQNHDVBDZKM-APWZRJJASA-N 2 1 345.487 2.207 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001263097574 1322433290 /nfs/dbraw/zinc/43/32/90/1322433290.db2.gz CDMMQNHDVBDZKM-APWZRJJASA-N 2 1 345.487 2.207 20 30 EEEDMP C=CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001263097577 1322433426 /nfs/dbraw/zinc/43/34/26/1322433426.db2.gz CDMMQNHDVBDZKM-VQIMIIECSA-N 2 1 345.487 2.207 20 30 EEEDMP C=CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001263097577 1322433429 /nfs/dbraw/zinc/43/34/29/1322433429.db2.gz CDMMQNHDVBDZKM-VQIMIIECSA-N 2 1 345.487 2.207 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001208090866 1324310358 /nfs/dbraw/zinc/31/03/58/1324310358.db2.gz YGKKHQNCJPOFHW-CRAIPNDOSA-N 2 1 345.491 2.337 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001208090866 1324310364 /nfs/dbraw/zinc/31/03/64/1324310364.db2.gz YGKKHQNCJPOFHW-CRAIPNDOSA-N 2 1 345.491 2.337 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210214394 1325202989 /nfs/dbraw/zinc/20/29/89/1325202989.db2.gz YJFZWOOZJLMIFP-YVWKXTFCSA-N 2 1 329.488 2.476 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210214394 1325202997 /nfs/dbraw/zinc/20/29/97/1325202997.db2.gz YJFZWOOZJLMIFP-YVWKXTFCSA-N 2 1 329.488 2.476 20 30 EEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001332078645 1335721796 /nfs/dbraw/zinc/72/17/96/1335721796.db2.gz ZSNGQLJRLQIOLJ-SJORKVTESA-N 2 1 348.878 2.379 20 30 EEEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001335385392 1336369423 /nfs/dbraw/zinc/36/94/23/1336369423.db2.gz ZJSWJVHZLSFMCW-IEBWSBKVSA-N 2 1 345.487 2.346 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001121233024 1371865101 /nfs/dbraw/zinc/86/51/01/1371865101.db2.gz LSWMQMXWFUKUHM-JDKNDNFBSA-N 2 1 343.515 2.434 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)s1)C(C)C ZINC001367496126 1374183055 /nfs/dbraw/zinc/18/30/55/1374183055.db2.gz WGEFWOBRNJQLNS-MRXNPFEDSA-N 2 1 345.472 2.055 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001376377311 1378497045 /nfs/dbraw/zinc/49/70/45/1378497045.db2.gz KVRYPAJOTPPDAQ-MUJYYYPQSA-N 2 1 339.911 2.440 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001376606851 1378625598 /nfs/dbraw/zinc/62/55/98/1378625598.db2.gz DURNWEZNKOZVMS-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001382361678 1382086404 /nfs/dbraw/zinc/08/64/04/1382086404.db2.gz QIWYQKDCTPFWIM-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001382361678 1382086405 /nfs/dbraw/zinc/08/64/05/1382086405.db2.gz QIWYQKDCTPFWIM-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001382361678 1382086411 /nfs/dbraw/zinc/08/64/11/1382086411.db2.gz QIWYQKDCTPFWIM-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001391111382 1389042640 /nfs/dbraw/zinc/04/26/40/1389042640.db2.gz MFLXIPOPMLVUSP-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001391111382 1389042643 /nfs/dbraw/zinc/04/26/43/1389042643.db2.gz MFLXIPOPMLVUSP-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001391111382 1389042648 /nfs/dbraw/zinc/04/26/48/1389042648.db2.gz MFLXIPOPMLVUSP-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C#N)c1 ZINC001391253468 1389170690 /nfs/dbraw/zinc/17/06/90/1389170690.db2.gz IKWKDBMZWKFSDI-KDURUIRLSA-N 2 1 340.471 2.075 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C#N)c1 ZINC001391253468 1389170695 /nfs/dbraw/zinc/17/06/95/1389170695.db2.gz IKWKDBMZWKFSDI-KDURUIRLSA-N 2 1 340.471 2.075 20 30 EEEDMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001391253468 1389170700 /nfs/dbraw/zinc/17/07/00/1389170700.db2.gz IKWKDBMZWKFSDI-KDURUIRLSA-N 2 1 340.471 2.075 20 30 EEEDMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001391253468 1389170702 /nfs/dbraw/zinc/17/07/02/1389170702.db2.gz IKWKDBMZWKFSDI-KDURUIRLSA-N 2 1 340.471 2.075 20 30 EEEDMP N#Cc1ccccc1C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001392963187 1390263218 /nfs/dbraw/zinc/26/32/18/1390263218.db2.gz HVMGVSGSPBZKAQ-UHFFFAOYSA-N 2 1 340.471 2.173 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001393789260 1390543301 /nfs/dbraw/zinc/54/33/01/1390543301.db2.gz RDHWLUUFYBBDKO-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001393789260 1390543303 /nfs/dbraw/zinc/54/33/03/1390543303.db2.gz RDHWLUUFYBBDKO-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001393789260 1390543305 /nfs/dbraw/zinc/54/33/05/1390543305.db2.gz RDHWLUUFYBBDKO-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC001394867142 1390761419 /nfs/dbraw/zinc/76/14/19/1390761419.db2.gz QRNWTPHRRRVYDK-INIZCTEOSA-N 2 1 339.842 2.378 20 30 EEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC001394867142 1390761421 /nfs/dbraw/zinc/76/14/21/1390761421.db2.gz QRNWTPHRRRVYDK-INIZCTEOSA-N 2 1 339.842 2.378 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001402790441 1398200366 /nfs/dbraw/zinc/20/03/66/1398200366.db2.gz MOOSFMDAMOFJNN-QAPCUYQASA-N 2 1 349.906 2.350 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCO1 ZINC001755010487 1407030718 /nfs/dbraw/zinc/03/07/18/1407030718.db2.gz FJAMHMNGIOJFDT-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001755463235 1407497288 /nfs/dbraw/zinc/49/72/88/1407497288.db2.gz JENHGONKVWJISY-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840953 782352154 /nfs/dbraw/zinc/35/21/54/782352154.db2.gz WOWZIJCIAAZZNL-RBUKOAKNSA-N 2 1 327.472 2.354 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530879 782633350 /nfs/dbraw/zinc/63/33/50/782633350.db2.gz XTNCBJMLOHRCRV-FXAWDEMLSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087964441 782655166 /nfs/dbraw/zinc/65/51/66/782655166.db2.gz KYLBXWIKYWWEMX-IKGGRYGDSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964441 782655169 /nfs/dbraw/zinc/65/51/69/782655169.db2.gz KYLBXWIKYWWEMX-IKGGRYGDSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964441 782655171 /nfs/dbraw/zinc/65/51/71/782655171.db2.gz KYLBXWIKYWWEMX-IKGGRYGDSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964441 782655176 /nfs/dbraw/zinc/65/51/76/782655176.db2.gz KYLBXWIKYWWEMX-IKGGRYGDSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980080092 773833361 /nfs/dbraw/zinc/83/33/61/773833361.db2.gz AJQWNFQRXGETMH-OKZBNKHCSA-N 2 1 331.504 2.408 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885975 774001817 /nfs/dbraw/zinc/00/18/17/774001817.db2.gz LVHPGQRBDNTFAL-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885975 774001825 /nfs/dbraw/zinc/00/18/25/774001825.db2.gz LVHPGQRBDNTFAL-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885975 774001833 /nfs/dbraw/zinc/00/18/33/774001833.db2.gz LVHPGQRBDNTFAL-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980220282 774134722 /nfs/dbraw/zinc/13/47/22/774134722.db2.gz ZBOPNKNEBYHGBL-ULQDDVLXSA-N 2 1 340.471 2.001 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC000981365186 777259098 /nfs/dbraw/zinc/25/90/98/777259098.db2.gz JRMYIBDFMYOMJB-QUCCMNQESA-N 2 1 339.483 2.380 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089831721 777326225 /nfs/dbraw/zinc/32/62/25/777326225.db2.gz OIXCRWZIBAWZHW-MANSERQUSA-N 2 1 343.515 2.360 20 30 EEEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001028152283 778516448 /nfs/dbraw/zinc/51/64/48/778516448.db2.gz QWHQCYSGERVCPG-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028152283 778516449 /nfs/dbraw/zinc/51/64/49/778516449.db2.gz QWHQCYSGERVCPG-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028152283 778516450 /nfs/dbraw/zinc/51/64/50/778516450.db2.gz QWHQCYSGERVCPG-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981914426 778545041 /nfs/dbraw/zinc/54/50/41/778545041.db2.gz KQPMUBARLCEMQJ-GOSISDBHSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2=CCCCC2)CC1 ZINC001028333170 780772443 /nfs/dbraw/zinc/77/24/43/780772443.db2.gz FGDMVZNIPIKZAH-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035227130 784114992 /nfs/dbraw/zinc/11/49/92/784114992.db2.gz OMHMCMOSHZKKBM-QZTJIDSGSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227130 784114995 /nfs/dbraw/zinc/11/49/95/784114995.db2.gz OMHMCMOSHZKKBM-QZTJIDSGSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227130 784115001 /nfs/dbraw/zinc/11/50/01/784115001.db2.gz OMHMCMOSHZKKBM-QZTJIDSGSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233480 784146025 /nfs/dbraw/zinc/14/60/25/784146025.db2.gz FDVTZJUPQDKLSN-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233480 784146028 /nfs/dbraw/zinc/14/60/28/784146028.db2.gz FDVTZJUPQDKLSN-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233480 784146032 /nfs/dbraw/zinc/14/60/32/784146032.db2.gz FDVTZJUPQDKLSN-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135858089 784640950 /nfs/dbraw/zinc/64/09/50/784640950.db2.gz SGFWSEGWPBMIGM-IRXDYDNUSA-N 2 1 347.478 2.392 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135980919 784907236 /nfs/dbraw/zinc/90/72/36/784907236.db2.gz UXGPNSBFDXHKSR-GJZGRUSLSA-N 2 1 348.466 2.412 20 30 EEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035720819 785015092 /nfs/dbraw/zinc/01/50/92/785015092.db2.gz NNCAUPAVAWYEFO-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000996995708 788394905 /nfs/dbraw/zinc/39/49/05/788394905.db2.gz PMTCOJJAMPJPEJ-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948726581 788994466 /nfs/dbraw/zinc/99/44/66/788994466.db2.gz VEOIOXLAJZCLKF-MSOLQXFVSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948726581 788994471 /nfs/dbraw/zinc/99/44/71/788994471.db2.gz VEOIOXLAJZCLKF-MSOLQXFVSA-N 2 1 342.487 2.090 20 30 EEEDMP N#Cc1cncc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1 ZINC001144080247 789219573 /nfs/dbraw/zinc/21/95/73/789219573.db2.gz GSMWPMZDZQXHGH-UXHICEINSA-N 2 1 333.439 2.302 20 30 EEEDMP N#Cc1cncc(CN2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001144080247 789219580 /nfs/dbraw/zinc/21/95/80/789219580.db2.gz GSMWPMZDZQXHGH-UXHICEINSA-N 2 1 333.439 2.302 20 30 EEEDMP N#Cc1cncc(CN2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001144080247 789219588 /nfs/dbraw/zinc/21/95/88/789219588.db2.gz GSMWPMZDZQXHGH-UXHICEINSA-N 2 1 333.439 2.302 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c(OC)c1 ZINC000923348363 789411380 /nfs/dbraw/zinc/41/13/80/789411380.db2.gz FDSYRCWLFUQICX-MSOLQXFVSA-N 2 1 348.487 2.224 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946901694 789563696 /nfs/dbraw/zinc/56/36/96/789563696.db2.gz BQSUMVNSJNPVAC-KDURUIRLSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC000991881443 791237750 /nfs/dbraw/zinc/23/77/50/791237750.db2.gz DXUVGDICDSOHKH-QUCCMNQESA-N 2 1 342.487 2.451 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC000991881443 791237758 /nfs/dbraw/zinc/23/77/58/791237758.db2.gz DXUVGDICDSOHKH-QUCCMNQESA-N 2 1 342.487 2.451 20 30 EEEDMP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707169 791441607 /nfs/dbraw/zinc/44/16/07/791441607.db2.gz OFVKKAXWIOIJTI-MSOLQXFVSA-N 2 1 347.503 2.194 20 30 EEEDMP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707169 791441612 /nfs/dbraw/zinc/44/16/12/791441612.db2.gz OFVKKAXWIOIJTI-MSOLQXFVSA-N 2 1 347.503 2.194 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998099902 791953802 /nfs/dbraw/zinc/95/38/02/791953802.db2.gz VBYLMPKBBBBRCP-FHWLQOOXSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998099902 791953806 /nfs/dbraw/zinc/95/38/06/791953806.db2.gz VBYLMPKBBBBRCP-FHWLQOOXSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998099902 791953810 /nfs/dbraw/zinc/95/38/10/791953810.db2.gz VBYLMPKBBBBRCP-FHWLQOOXSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070645 792077095 /nfs/dbraw/zinc/07/70/95/792077095.db2.gz QAQZXKZOZXBUGK-WBVHZDCISA-N 2 1 331.460 2.337 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677203 792148316 /nfs/dbraw/zinc/14/83/16/792148316.db2.gz MCKZAJYPBDSDRK-HBFSDRIKSA-N 2 1 331.504 2.075 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998189156 792173803 /nfs/dbraw/zinc/17/38/03/792173803.db2.gz LXOKDTHPDCADMO-HOTGVXAUSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998189156 792173809 /nfs/dbraw/zinc/17/38/09/792173809.db2.gz LXOKDTHPDCADMO-HOTGVXAUSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998189156 792173813 /nfs/dbraw/zinc/17/38/13/792173813.db2.gz LXOKDTHPDCADMO-HOTGVXAUSA-N 2 1 327.900 2.394 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684503 792223500 /nfs/dbraw/zinc/22/35/00/792223500.db2.gz GLNBDUWKSKNMLV-MDZRGWNJSA-N 2 1 330.476 2.363 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684503 792223510 /nfs/dbraw/zinc/22/35/10/792223510.db2.gz GLNBDUWKSKNMLV-MDZRGWNJSA-N 2 1 330.476 2.363 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@H]12 ZINC000992169869 793025255 /nfs/dbraw/zinc/02/52/55/793025255.db2.gz SLCIUPJJSBFLJH-PZJWPPBQSA-N 2 1 339.483 2.151 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927926 793051943 /nfs/dbraw/zinc/05/19/43/793051943.db2.gz QQSTVHSGNRBVRM-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992265041 793443878 /nfs/dbraw/zinc/44/38/78/793443878.db2.gz WPCVXPIVZGUXGF-APWZRJJASA-N 2 1 328.460 2.143 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992265041 793443882 /nfs/dbraw/zinc/44/38/82/793443882.db2.gz WPCVXPIVZGUXGF-APWZRJJASA-N 2 1 328.460 2.143 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992297661 793563400 /nfs/dbraw/zinc/56/34/00/793563400.db2.gz JQWOHYJMAUPVAG-WSTZPKSXSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992364981 793822112 /nfs/dbraw/zinc/82/21/12/793822112.db2.gz BNSOKQJIANWQNG-QUCCMNQESA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001092689344 794263355 /nfs/dbraw/zinc/26/33/55/794263355.db2.gz JNLVLYXDIZQUOJ-RLLQIKCJSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001092689344 794263362 /nfs/dbraw/zinc/26/33/62/794263362.db2.gz JNLVLYXDIZQUOJ-RLLQIKCJSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001092689344 794263365 /nfs/dbraw/zinc/26/33/65/794263365.db2.gz JNLVLYXDIZQUOJ-RLLQIKCJSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001092689344 794263370 /nfs/dbraw/zinc/26/33/70/794263370.db2.gz JNLVLYXDIZQUOJ-RLLQIKCJSA-N 2 1 343.515 2.269 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@H]21 ZINC001036754803 794783742 /nfs/dbraw/zinc/78/37/42/794783742.db2.gz LOPGLUGLOSPHAT-CRAIPNDOSA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@H]21 ZINC001036754803 794783747 /nfs/dbraw/zinc/78/37/47/794783747.db2.gz LOPGLUGLOSPHAT-CRAIPNDOSA-N 2 1 346.475 2.239 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036755365 794785837 /nfs/dbraw/zinc/78/58/37/794785837.db2.gz VMEZZLVWHGFBBD-QFBILLFUSA-N 2 1 336.439 2.202 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036802225 795079998 /nfs/dbraw/zinc/07/99/98/795079998.db2.gz ZYRFQOOBQYPSHW-RDJZCZTQSA-N 2 1 331.460 2.454 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036802225 795080006 /nfs/dbraw/zinc/08/00/06/795080006.db2.gz ZYRFQOOBQYPSHW-RDJZCZTQSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001093372266 795104681 /nfs/dbraw/zinc/10/46/81/795104681.db2.gz BMMIAJIRUCQHKY-IBGZPJMESA-N 2 1 342.487 2.471 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001093372266 795104686 /nfs/dbraw/zinc/10/46/86/795104686.db2.gz BMMIAJIRUCQHKY-IBGZPJMESA-N 2 1 342.487 2.471 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106250076 795290601 /nfs/dbraw/zinc/29/06/01/795290601.db2.gz XUBAZIGZGLNBNX-ZACQAIPSSA-N 2 1 330.476 2.411 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080446720 796021916 /nfs/dbraw/zinc/02/19/16/796021916.db2.gz PNRJRLSSJZNBLB-UWWQBHOKSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080446720 796021924 /nfs/dbraw/zinc/02/19/24/796021924.db2.gz PNRJRLSSJZNBLB-UWWQBHOKSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094415700 796204200 /nfs/dbraw/zinc/20/42/00/796204200.db2.gz ZNMURSAVPMUZBB-QWFCFKBJSA-N 2 1 331.504 2.265 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCC3CC3)C2)CC1 ZINC001036901955 796439155 /nfs/dbraw/zinc/43/91/55/796439155.db2.gz BILSPAHDJSIFLR-PMACEKPBSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160679 796471471 /nfs/dbraw/zinc/47/14/71/796471471.db2.gz ZDZAVJPHFNZIGH-XWSJACJDSA-N 2 1 325.456 2.034 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160679 796471476 /nfs/dbraw/zinc/47/14/76/796471476.db2.gz ZDZAVJPHFNZIGH-XWSJACJDSA-N 2 1 325.456 2.034 20 30 EEEDMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976915 797178190 /nfs/dbraw/zinc/17/81/90/797178190.db2.gz XBNMAXGLQDFRDA-PMPSAXMXSA-N 2 1 336.480 2.352 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015704502 797387815 /nfs/dbraw/zinc/38/78/15/797387815.db2.gz AEYIEFGRNHZDMV-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015704502 797387824 /nfs/dbraw/zinc/38/78/24/797387824.db2.gz AEYIEFGRNHZDMV-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015704502 797387830 /nfs/dbraw/zinc/38/78/30/797387830.db2.gz AEYIEFGRNHZDMV-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994462170 798043457 /nfs/dbraw/zinc/04/34/57/798043457.db2.gz KNRQMJRUEARQOJ-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175295138 798050858 /nfs/dbraw/zinc/05/08/58/798050858.db2.gz BZWAOXDVINQGGY-LJQANCHMSA-N 2 1 343.515 2.449 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382772 798287004 /nfs/dbraw/zinc/28/70/04/798287004.db2.gz UXUMLSLOZONBQF-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089382772 798287009 /nfs/dbraw/zinc/28/70/09/798287009.db2.gz UXUMLSLOZONBQF-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089382772 798287013 /nfs/dbraw/zinc/28/70/13/798287013.db2.gz UXUMLSLOZONBQF-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176753053 798568729 /nfs/dbraw/zinc/56/87/29/798568729.db2.gz CNDZAMIJGHZNIQ-CQSZACIVSA-N 2 1 348.329 2.500 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001177342833 798876900 /nfs/dbraw/zinc/87/69/00/798876900.db2.gz WSQABIXCEKFYDX-FQEVSTJZSA-N 2 1 343.515 2.106 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001177342833 798876904 /nfs/dbraw/zinc/87/69/04/798876904.db2.gz WSQABIXCEKFYDX-FQEVSTJZSA-N 2 1 343.515 2.106 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2csc(C)c2)CC1 ZINC001003056888 799140925 /nfs/dbraw/zinc/14/09/25/799140925.db2.gz VPFFTYMFAXRIBH-SFHVURJKSA-N 2 1 345.512 2.235 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2csc(C)c2)CC1 ZINC001003056888 799140929 /nfs/dbraw/zinc/14/09/29/799140929.db2.gz VPFFTYMFAXRIBH-SFHVURJKSA-N 2 1 345.512 2.235 20 30 EEEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001003492313 799728368 /nfs/dbraw/zinc/72/83/68/799728368.db2.gz GEDXXFTZMGMQPN-IBGZPJMESA-N 2 1 331.504 2.387 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001180331370 800382953 /nfs/dbraw/zinc/38/29/53/800382953.db2.gz IRMTZLVDTWDURL-MSOLQXFVSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001180331370 800382958 /nfs/dbraw/zinc/38/29/58/800382958.db2.gz IRMTZLVDTWDURL-MSOLQXFVSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001180331372 800383032 /nfs/dbraw/zinc/38/30/32/800383032.db2.gz IRMTZLVDTWDURL-ROUUACIJSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001180331372 800383035 /nfs/dbraw/zinc/38/30/35/800383035.db2.gz IRMTZLVDTWDURL-ROUUACIJSA-N 2 1 339.524 2.328 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994523 801877214 /nfs/dbraw/zinc/87/72/14/801877214.db2.gz NSNVTQFMUVNAQO-MRXNPFEDSA-N 2 1 331.460 2.291 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994523 801877220 /nfs/dbraw/zinc/87/72/20/801877220.db2.gz NSNVTQFMUVNAQO-MRXNPFEDSA-N 2 1 331.460 2.291 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC001185169447 802373449 /nfs/dbraw/zinc/37/34/49/802373449.db2.gz LQQLVFPDIDLHFU-HOTGVXAUSA-N 2 1 346.475 2.144 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004584936 802423470 /nfs/dbraw/zinc/42/34/70/802423470.db2.gz CMSDSPCDMDZXHF-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946645001 802576716 /nfs/dbraw/zinc/57/67/16/802576716.db2.gz MGOOKKRTJZFHLX-BBWFWOEESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645001 802576720 /nfs/dbraw/zinc/57/67/20/802576720.db2.gz MGOOKKRTJZFHLX-BBWFWOEESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645001 802576723 /nfs/dbraw/zinc/57/67/23/802576723.db2.gz MGOOKKRTJZFHLX-BBWFWOEESA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735084 802944798 /nfs/dbraw/zinc/94/47/98/802944798.db2.gz GJCUNESQTZAGGU-CADBVGFASA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735084 802944801 /nfs/dbraw/zinc/94/48/01/802944801.db2.gz GJCUNESQTZAGGU-CADBVGFASA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735084 802944809 /nfs/dbraw/zinc/94/48/09/802944809.db2.gz GJCUNESQTZAGGU-CADBVGFASA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108732800 804418357 /nfs/dbraw/zinc/41/83/57/804418357.db2.gz CQRSEEHLVXLBIY-SCTDSRPQSA-N 2 1 331.504 2.243 20 30 EEEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC001170364871 809908941 /nfs/dbraw/zinc/90/89/41/809908941.db2.gz JNAVJZQANLAHFR-CBNMVNINSA-N 2 1 338.499 2.403 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001441828503 1095881791 /nfs/dbraw/zinc/88/17/91/1095881791.db2.gz RXJYNXDCNHFQIK-XJKSGUPXSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001444456949 1099107553 /nfs/dbraw/zinc/10/75/53/1099107553.db2.gz ZFLOZODYQQYABY-PBHICJAKSA-N 2 1 348.516 2.336 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001446565500 1101048815 /nfs/dbraw/zinc/04/88/15/1101048815.db2.gz QQQHVRSWKFFZNZ-FQEVSTJZSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001446565500 1101048821 /nfs/dbraw/zinc/04/88/21/1101048821.db2.gz QQQHVRSWKFFZNZ-FQEVSTJZSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001446565500 1101048827 /nfs/dbraw/zinc/04/88/27/1101048827.db2.gz QQQHVRSWKFFZNZ-FQEVSTJZSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001496614549 1101219542 /nfs/dbraw/zinc/21/95/42/1101219542.db2.gz GLFDDRYPDTXVSA-AWEZNQCLSA-N 2 1 326.872 2.489 20 30 EEEDMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)C1([NH+](C)C)CCC1 ZINC001498313843 1107274277 /nfs/dbraw/zinc/27/42/77/1107274277.db2.gz OSGYNXYYTSMPLO-CYBMUJFWSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)C1([NH+](C)C)CCC1 ZINC001498313843 1107274285 /nfs/dbraw/zinc/27/42/85/1107274285.db2.gz OSGYNXYYTSMPLO-CYBMUJFWSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001506935751 1114986219 /nfs/dbraw/zinc/98/62/19/1114986219.db2.gz MEFYZVHNNDBMPW-ICSRJNTNSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821549 218172608 /nfs/dbraw/zinc/17/26/08/218172608.db2.gz QQSVFTGEXKNRDP-MRXNPFEDSA-N 2 1 330.476 2.311 20 30 EEEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1 ZINC000191280193 152246272 /nfs/dbraw/zinc/24/62/72/152246272.db2.gz RYXULQKGNLPZKH-IYBDPMFKSA-N 2 1 330.476 2.218 20 30 EEEDMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C#N)c1 ZINC000344156487 161203268 /nfs/dbraw/zinc/20/32/68/161203268.db2.gz ACOASDGICYOVGB-HNNXBMFYSA-N 2 1 328.460 2.152 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087698344 782088309 /nfs/dbraw/zinc/08/83/09/782088309.db2.gz SLJNIGSSXONHQJ-OTWHNJEPSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087698344 782088315 /nfs/dbraw/zinc/08/83/15/782088315.db2.gz SLJNIGSSXONHQJ-OTWHNJEPSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087698344 782088321 /nfs/dbraw/zinc/08/83/21/782088321.db2.gz SLJNIGSSXONHQJ-OTWHNJEPSA-N 2 1 331.504 2.386 20 30 EEEDMP CN(CCC#N)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000289183057 464070536 /nfs/dbraw/zinc/07/05/36/464070536.db2.gz AQDYXJATKZEGPW-UHFFFAOYSA-N 2 1 343.519 2.106 20 30 EEEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290753899 464130548 /nfs/dbraw/zinc/13/05/48/464130548.db2.gz YNPGCVBYSPOXNG-FUHWJXTLSA-N 2 1 332.492 2.228 20 30 EEEDMP Cc1n[nH]c([C@@H]2CCCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000329478352 465346760 /nfs/dbraw/zinc/34/67/60/465346760.db2.gz QBUQPPSIWSQUSA-OAHLLOKOSA-N 2 1 348.495 2.122 20 30 EEEDMP Cc1nnc([C@@H]2CCCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000329478352 465346768 /nfs/dbraw/zinc/34/67/68/465346768.db2.gz QBUQPPSIWSQUSA-OAHLLOKOSA-N 2 1 348.495 2.122 20 30 EEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370707527 466973726 /nfs/dbraw/zinc/97/37/26/466973726.db2.gz FEILNLVVKOPCBP-WIYYLYMNSA-N 2 1 341.499 2.156 20 30 EEEDMP C#CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370707527 466973732 /nfs/dbraw/zinc/97/37/32/466973732.db2.gz FEILNLVVKOPCBP-WIYYLYMNSA-N 2 1 341.499 2.156 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424147776 466990888 /nfs/dbraw/zinc/99/08/88/466990888.db2.gz SEROXRMZAVPQEB-NXHRZFHOSA-N 2 1 328.460 2.034 20 30 EEEDMP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168021193 782133639 /nfs/dbraw/zinc/13/36/39/782133639.db2.gz CJQJHEFCICIIPV-UXHICEINSA-N 2 1 339.483 2.151 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@@H+]1CC ZINC000764623164 577740224 /nfs/dbraw/zinc/74/02/24/577740224.db2.gz HOAVYZYBBUKJSB-SFHVURJKSA-N 2 1 345.487 2.323 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000764629687 577740376 /nfs/dbraw/zinc/74/03/76/577740376.db2.gz MQWJFQWRDDIQHA-MNZLEMJZSA-N 2 1 329.488 2.377 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001021636830 676292125 /nfs/dbraw/zinc/29/21/25/676292125.db2.gz TYPJVDRZDRZSAS-AEFFLSMTSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001021636830 676292126 /nfs/dbraw/zinc/29/21/26/676292126.db2.gz TYPJVDRZDRZSAS-AEFFLSMTSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663190 676317981 /nfs/dbraw/zinc/31/79/81/676317981.db2.gz APDPFRXVDDESNP-IRXDYDNUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663190 676317984 /nfs/dbraw/zinc/31/79/84/676317984.db2.gz APDPFRXVDDESNP-IRXDYDNUSA-N 2 1 339.911 2.394 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001023888868 679672535 /nfs/dbraw/zinc/67/25/35/679672535.db2.gz FBRKBHIQSXPHAG-WMLDXEAASA-N 2 1 346.500 2.042 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739784 676398187 /nfs/dbraw/zinc/39/81/87/676398187.db2.gz NDNUGGUZKVJMEK-OALUTQOASA-N 2 1 331.504 2.199 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)CCC1 ZINC000971679812 676735373 /nfs/dbraw/zinc/73/53/73/676735373.db2.gz VLOYNUPUEHURLQ-CQSZACIVSA-N 2 1 346.500 2.137 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC000972355618 678596118 /nfs/dbraw/zinc/59/61/18/678596118.db2.gz XLPGWTGTCBNIGE-WMZOPIPTSA-N 2 1 346.450 2.070 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC000972355618 678596122 /nfs/dbraw/zinc/59/61/22/678596122.db2.gz XLPGWTGTCBNIGE-WMZOPIPTSA-N 2 1 346.450 2.070 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001023514728 679349885 /nfs/dbraw/zinc/34/98/85/679349885.db2.gz QPFOFDWQAAVKQG-QGZVFWFLSA-N 2 1 336.439 2.337 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3occc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982491124 681247430 /nfs/dbraw/zinc/24/74/30/681247430.db2.gz DWOOUIMEZSSLBG-BGYRXZFFSA-N 2 1 343.471 2.149 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001024660163 681323450 /nfs/dbraw/zinc/32/34/50/681323450.db2.gz JZHQDNJPLLFNIG-GVDBMIGSSA-N 2 1 330.476 2.461 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2C/C=C\Cl)CC1 ZINC001024812359 681465678 /nfs/dbraw/zinc/46/56/78/681465678.db2.gz NXIQOIRGGASULF-VWTAQGJOSA-N 2 1 337.895 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2C/C=C\Cl)CC1 ZINC001024812359 681465680 /nfs/dbraw/zinc/46/56/80/681465680.db2.gz NXIQOIRGGASULF-VWTAQGJOSA-N 2 1 337.895 2.055 20 30 EEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261865187 681870585 /nfs/dbraw/zinc/87/05/85/681870585.db2.gz YZJBMJNDTVVBCD-MCIONIFRSA-N 2 1 334.430 2.472 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982724892 682110536 /nfs/dbraw/zinc/11/05/36/682110536.db2.gz FYLRJLLBODTXTB-BWPNAZKDSA-N 2 1 333.520 2.463 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296020 682407264 /nfs/dbraw/zinc/40/72/64/682407264.db2.gz RKAAJIIZGNHTRH-MSOLQXFVSA-N 2 1 328.460 2.060 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296020 682407265 /nfs/dbraw/zinc/40/72/65/682407265.db2.gz RKAAJIIZGNHTRH-MSOLQXFVSA-N 2 1 328.460 2.060 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040757500 683748300 /nfs/dbraw/zinc/74/83/00/683748300.db2.gz SXTTZOQFZRDINO-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]12 ZINC001026283727 684190580 /nfs/dbraw/zinc/19/05/80/684190580.db2.gz LRGJAHZWIGGYTE-FVQBIDKESA-N 2 1 325.884 2.050 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000303793926 686908249 /nfs/dbraw/zinc/90/82/49/686908249.db2.gz ZZICXVKEGDASLG-MSOLQXFVSA-N 3 1 337.556 2.276 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029758185 687022660 /nfs/dbraw/zinc/02/26/60/687022660.db2.gz UJILOCDAGKJGIB-WMZOPIPTSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029758185 687022663 /nfs/dbraw/zinc/02/26/63/687022663.db2.gz UJILOCDAGKJGIB-WMZOPIPTSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029758185 687022666 /nfs/dbraw/zinc/02/26/66/687022666.db2.gz UJILOCDAGKJGIB-WMZOPIPTSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2ccsc2)C1 ZINC001029758185 687022669 /nfs/dbraw/zinc/02/26/69/687022669.db2.gz UJILOCDAGKJGIB-WMZOPIPTSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2ccsc2)C1 ZINC001029758185 687022672 /nfs/dbraw/zinc/02/26/72/687022672.db2.gz UJILOCDAGKJGIB-WMZOPIPTSA-N 2 1 345.512 2.126 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000985594831 687281667 /nfs/dbraw/zinc/28/16/67/687281667.db2.gz DMOSDGDPPFRVER-LJQANCHMSA-N 2 1 349.519 2.129 20 30 EEEDMP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986352102 688524412 /nfs/dbraw/zinc/52/44/12/688524412.db2.gz FTNOZZPBICCPFK-GUYCJALGSA-N 2 1 346.500 2.183 20 30 EEEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988966339 691333148 /nfs/dbraw/zinc/33/31/48/691333148.db2.gz LEKXCCQLULIFHX-MAUKXSAKSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001027463647 692212051 /nfs/dbraw/zinc/21/20/51/692212051.db2.gz GENMLEAWKUFCSE-RBUKOAKNSA-N 2 1 342.487 2.321 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001027577145 693197294 /nfs/dbraw/zinc/19/72/94/693197294.db2.gz FXSYTNACJKNFRD-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001027577145 693197297 /nfs/dbraw/zinc/19/72/97/693197297.db2.gz FXSYTNACJKNFRD-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943515442 1192325691 /nfs/dbraw/zinc/32/56/91/1192325691.db2.gz GVQHWPZRWNBLKF-APWZRJJASA-N 2 1 327.472 2.212 20 30 EEEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001482330369 1185413246 /nfs/dbraw/zinc/41/32/46/1185413246.db2.gz IWYSLPXSWRPPMY-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105574555 1188188680 /nfs/dbraw/zinc/18/86/80/1188188680.db2.gz BBWZVXRENQJESJ-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP CCCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001484792293 1191527501 /nfs/dbraw/zinc/52/75/01/1191527501.db2.gz JYICWWNWQWCCBM-IAGOWNOFSA-N 2 1 337.508 2.011 20 30 EEEDMP CCCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001484792293 1191527502 /nfs/dbraw/zinc/52/75/02/1191527502.db2.gz JYICWWNWQWCCBM-IAGOWNOFSA-N 2 1 337.508 2.011 20 30 EEEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001017980115 1224167840 /nfs/dbraw/zinc/16/78/40/1224167840.db2.gz HXMHKIWMEXFQJL-WCIQWLHISA-N 2 1 339.483 2.193 20 30 EEEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001017980115 1224167846 /nfs/dbraw/zinc/16/78/46/1224167846.db2.gz HXMHKIWMEXFQJL-WCIQWLHISA-N 2 1 339.483 2.193 20 30 EEEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001017980115 1224167850 /nfs/dbraw/zinc/16/78/50/1224167850.db2.gz HXMHKIWMEXFQJL-WCIQWLHISA-N 2 1 339.483 2.193 20 30 EEEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001017980115 1224167855 /nfs/dbraw/zinc/16/78/55/1224167855.db2.gz HXMHKIWMEXFQJL-WCIQWLHISA-N 2 1 339.483 2.193 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001017980115 1224167860 /nfs/dbraw/zinc/16/78/60/1224167860.db2.gz HXMHKIWMEXFQJL-WCIQWLHISA-N 2 1 339.483 2.193 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818029 1194441051 /nfs/dbraw/zinc/44/10/51/1194441051.db2.gz AZTYANJDZHREPB-IYWMVGAKSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818029 1194441054 /nfs/dbraw/zinc/44/10/54/1194441054.db2.gz AZTYANJDZHREPB-IYWMVGAKSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818029 1194441057 /nfs/dbraw/zinc/44/10/57/1194441057.db2.gz AZTYANJDZHREPB-IYWMVGAKSA-N 2 1 343.515 2.197 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033417277 1194539308 /nfs/dbraw/zinc/53/93/08/1194539308.db2.gz VUZZSPNJDDVVOD-HUUCEWRRSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033417277 1194539311 /nfs/dbraw/zinc/53/93/11/1194539311.db2.gz VUZZSPNJDDVVOD-HUUCEWRRSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033417277 1194539313 /nfs/dbraw/zinc/53/93/13/1194539313.db2.gz VUZZSPNJDDVVOD-HUUCEWRRSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033417277 1194539314 /nfs/dbraw/zinc/53/93/14/1194539314.db2.gz VUZZSPNJDDVVOD-HUUCEWRRSA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001033777256 1195260819 /nfs/dbraw/zinc/26/08/19/1195260819.db2.gz UDHSSRRMXPGMJZ-WOJBJXKFSA-N 2 1 339.483 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034216157 1195955340 /nfs/dbraw/zinc/95/53/40/1195955340.db2.gz FDSGCPMBMQQQRD-OWCLPIDISA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034216157 1195955342 /nfs/dbraw/zinc/95/53/42/1195955342.db2.gz FDSGCPMBMQQQRD-OWCLPIDISA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034216157 1195955346 /nfs/dbraw/zinc/95/53/46/1195955346.db2.gz FDSGCPMBMQQQRD-OWCLPIDISA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034216157 1195955349 /nfs/dbraw/zinc/95/53/49/1195955349.db2.gz FDSGCPMBMQQQRD-OWCLPIDISA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229653 1195966613 /nfs/dbraw/zinc/96/66/13/1195966613.db2.gz UEGVBHNVSVIHHZ-INIZCTEOSA-N 2 1 333.501 2.417 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229653 1195966616 /nfs/dbraw/zinc/96/66/16/1195966616.db2.gz UEGVBHNVSVIHHZ-INIZCTEOSA-N 2 1 333.501 2.417 20 30 EEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001034404217 1196196952 /nfs/dbraw/zinc/19/69/52/1196196952.db2.gz HXEBAGRGEFDOHP-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034404217 1196196959 /nfs/dbraw/zinc/19/69/59/1196196959.db2.gz HXEBAGRGEFDOHP-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001034539090 1196362233 /nfs/dbraw/zinc/36/22/33/1196362233.db2.gz VHERZINLVLJGGJ-IEBWSBKVSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001034734695 1196634572 /nfs/dbraw/zinc/63/45/72/1196634572.db2.gz VKJVWAWUABJQDF-ULQDDVLXSA-N 2 1 330.476 2.347 20 30 EEEDMP C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001273143553 1197003829 /nfs/dbraw/zinc/00/38/29/1197003829.db2.gz IBOHOPWRVJNPKR-HXUWFJFHSA-N 2 1 347.503 2.136 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC001410890013 1198541534 /nfs/dbraw/zinc/54/15/34/1198541534.db2.gz SAYLBDYPVZBMKI-WMLDXEAASA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608324 1199700304 /nfs/dbraw/zinc/70/03/04/1199700304.db2.gz UOUSCSYOTBGWCP-OLZOCXBDSA-N 2 1 346.313 2.252 20 30 EEEDMP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001133392737 1200851272 /nfs/dbraw/zinc/85/12/72/1200851272.db2.gz KXQCHBBMKZZMIC-GOSISDBHSA-N 2 1 347.890 2.376 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111039027 1207665717 /nfs/dbraw/zinc/66/57/17/1207665717.db2.gz VIMBRTBMVYFLAO-MKXGPGLRSA-N 2 1 349.519 2.175 20 30 EEEDMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000948056524 1208846557 /nfs/dbraw/zinc/84/65/57/1208846557.db2.gz KQBSPUDKNRODCU-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000948625703 1209259076 /nfs/dbraw/zinc/25/90/76/1209259076.db2.gz SOHMKKMYWZZDET-INIZCTEOSA-N 2 1 330.476 2.261 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000948625703 1209259078 /nfs/dbraw/zinc/25/90/78/1209259078.db2.gz SOHMKKMYWZZDET-INIZCTEOSA-N 2 1 330.476 2.261 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948766784 1209360489 /nfs/dbraw/zinc/36/04/89/1209360489.db2.gz OBBJDXZOYPGTEA-APWZRJJASA-N 2 1 337.483 2.145 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000948825653 1209403729 /nfs/dbraw/zinc/40/37/29/1209403729.db2.gz KXWDLVSUXPUNMX-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+]1CCCC1 ZINC001015499914 1225338233 /nfs/dbraw/zinc/33/82/33/1225338233.db2.gz RUOFVHKLFOVTEC-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+]1CCCC1 ZINC001015499914 1225338239 /nfs/dbraw/zinc/33/82/39/1225338239.db2.gz RUOFVHKLFOVTEC-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114618676 1213454943 /nfs/dbraw/zinc/45/49/43/1213454943.db2.gz IRTXJLWHNYPHCT-ZSHCYNCHSA-N 2 1 339.911 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114618676 1213454945 /nfs/dbraw/zinc/45/49/45/1213454945.db2.gz IRTXJLWHNYPHCT-ZSHCYNCHSA-N 2 1 339.911 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957642280 1215289683 /nfs/dbraw/zinc/28/96/83/1215289683.db2.gz GLWPYZRLFLVTCC-MRXNPFEDSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000960301585 1216481990 /nfs/dbraw/zinc/48/19/90/1216481990.db2.gz XQDNBKMRHHESCK-DFQSSKMNSA-N 2 1 339.483 2.113 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961195404 1217081921 /nfs/dbraw/zinc/08/19/21/1217081921.db2.gz BNRCOVFGHGKZLR-QZTJIDSGSA-N 2 1 336.439 2.142 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CC[N@H+](C(C)C)C3)C2)CC1 ZINC000961293797 1217132301 /nfs/dbraw/zinc/13/23/01/1217132301.db2.gz QZMCGYYARIUGCY-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CCC[N@@H+]3CC=C)C2)CC1 ZINC000963429782 1217623710 /nfs/dbraw/zinc/62/37/10/1217623710.db2.gz RKRIKWLYWXNYBX-VQTJNVASSA-N 2 1 343.515 2.221 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000963598388 1217902310 /nfs/dbraw/zinc/90/23/10/1217902310.db2.gz KJPLAARUXKIDCU-UHFFFAOYSA-N 2 1 334.464 2.285 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000968861227 1221629540 /nfs/dbraw/zinc/62/95/40/1221629540.db2.gz KEUOVWPNEHISKH-QAPCUYQASA-N 2 1 345.491 2.337 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000968956526 1221700401 /nfs/dbraw/zinc/70/04/01/1221700401.db2.gz PYGGHXJKHRWUEQ-LZQZEXGQSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000968956526 1221700403 /nfs/dbraw/zinc/70/04/03/1221700403.db2.gz PYGGHXJKHRWUEQ-LZQZEXGQSA-N 2 1 343.446 2.175 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007492141 1222258143 /nfs/dbraw/zinc/25/81/43/1222258143.db2.gz LMXDOQLGZXVRBT-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001007492141 1222258145 /nfs/dbraw/zinc/25/81/45/1222258145.db2.gz LMXDOQLGZXVRBT-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001007492141 1222258148 /nfs/dbraw/zinc/25/81/48/1222258148.db2.gz LMXDOQLGZXVRBT-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016818993 1226903004 /nfs/dbraw/zinc/90/30/04/1226903004.db2.gz IFWFBHOOALPVGQ-OAHLLOKOSA-N 2 1 339.911 2.442 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133954 1230344698 /nfs/dbraw/zinc/34/46/98/1230344698.db2.gz MUPSAGYQNUJPBT-MOPGFXCFSA-N 2 1 333.520 2.463 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377349 1230562763 /nfs/dbraw/zinc/56/27/63/1230562763.db2.gz SXMYCBDHZRVASS-KSZLIROESA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377349 1230562767 /nfs/dbraw/zinc/56/27/67/1230562767.db2.gz SXMYCBDHZRVASS-KSZLIROESA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242728 1231128212 /nfs/dbraw/zinc/12/82/12/1231128212.db2.gz ZZUJXKXVIXOQAU-XLIONFOSSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242728 1231128214 /nfs/dbraw/zinc/12/82/14/1231128214.db2.gz ZZUJXKXVIXOQAU-XLIONFOSSA-N 2 1 340.471 2.098 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040259729 1231137363 /nfs/dbraw/zinc/13/73/63/1231137363.db2.gz ZHGGUCZEAFMFEW-IBGZPJMESA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001040277018 1231148507 /nfs/dbraw/zinc/14/85/07/1231148507.db2.gz TUNOWPNAFGUTOO-HXUWFJFHSA-N 2 1 336.439 2.204 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045073612 1233486072 /nfs/dbraw/zinc/48/60/72/1233486072.db2.gz KNONIIWWHZTSBJ-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045073612 1233486077 /nfs/dbraw/zinc/48/60/77/1233486077.db2.gz KNONIIWWHZTSBJ-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001045797687 1234005174 /nfs/dbraw/zinc/00/51/74/1234005174.db2.gz VRBOXJVAZCMLRR-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045944968 1234205309 /nfs/dbraw/zinc/20/53/09/1234205309.db2.gz KTYLDOBJXKZOPH-AZUAARDMSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045947536 1234209907 /nfs/dbraw/zinc/20/99/07/1234209907.db2.gz GNWPLYXSFVOAJG-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045947536 1234209910 /nfs/dbraw/zinc/20/99/10/1234209910.db2.gz GNWPLYXSFVOAJG-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045947536 1234209912 /nfs/dbraw/zinc/20/99/12/1234209912.db2.gz GNWPLYXSFVOAJG-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001045949571 1234214697 /nfs/dbraw/zinc/21/46/97/1234214697.db2.gz JVRDEOCNEUIBME-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949571 1234214701 /nfs/dbraw/zinc/21/47/01/1234214701.db2.gz JVRDEOCNEUIBME-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949571 1234214705 /nfs/dbraw/zinc/21/47/05/1234214705.db2.gz JVRDEOCNEUIBME-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045966678 1234246820 /nfs/dbraw/zinc/24/68/20/1234246820.db2.gz CGNYIQGQAMCDDQ-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001045966678 1234246824 /nfs/dbraw/zinc/24/68/24/1234246824.db2.gz CGNYIQGQAMCDDQ-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001045966678 1234246825 /nfs/dbraw/zinc/24/68/25/1234246825.db2.gz CGNYIQGQAMCDDQ-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@]3(CC[N@H+](CCF)C3)C2)CC1 ZINC001045985838 1234281427 /nfs/dbraw/zinc/28/14/27/1234281427.db2.gz CZCCOOPEKCRQAW-FQEVSTJZSA-N 2 1 349.494 2.006 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@]3(CC[N@H+](CC=C)C3)C2)CC1 ZINC001045986351 1234281906 /nfs/dbraw/zinc/28/19/06/1234281906.db2.gz ODRMFUOUNJOMEQ-NRFANRHFSA-N 2 1 343.515 2.222 20 30 EEEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046625284 1235008015 /nfs/dbraw/zinc/00/80/15/1235008015.db2.gz GUSLDXOBCHZNRC-FQEVSTJZSA-N 2 1 327.472 2.008 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887792 1239145923 /nfs/dbraw/zinc/14/59/23/1239145923.db2.gz DQMSCTAISVSZME-FCGDIQPGSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048887792 1239145933 /nfs/dbraw/zinc/14/59/33/1239145933.db2.gz DQMSCTAISVSZME-FCGDIQPGSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048887792 1239145937 /nfs/dbraw/zinc/14/59/37/1239145937.db2.gz DQMSCTAISVSZME-FCGDIQPGSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000020367 1239821354 /nfs/dbraw/zinc/82/13/54/1239821354.db2.gz LWYDZZKENBEHOI-HUUCEWRRSA-N 2 1 336.867 2.087 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232760 1240333096 /nfs/dbraw/zinc/33/30/96/1240333096.db2.gz YAGPGNDCBJGDQE-GEEKYZPCSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232760 1240333102 /nfs/dbraw/zinc/33/31/02/1240333102.db2.gz YAGPGNDCBJGDQE-GEEKYZPCSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232760 1240333113 /nfs/dbraw/zinc/33/31/13/1240333113.db2.gz YAGPGNDCBJGDQE-GEEKYZPCSA-N 2 1 325.884 2.002 20 30 EEEDMP N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000903449441 1240498484 /nfs/dbraw/zinc/49/84/84/1240498484.db2.gz AXMMNZDBDLYOHT-INIZCTEOSA-N 2 1 334.851 2.031 20 30 EEEDMP N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000903449441 1240498491 /nfs/dbraw/zinc/49/84/91/1240498491.db2.gz AXMMNZDBDLYOHT-INIZCTEOSA-N 2 1 334.851 2.031 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001000686985 1240735993 /nfs/dbraw/zinc/73/59/93/1240735993.db2.gz SUHLMDVVZBKGOF-IBGZPJMESA-N 2 1 343.515 2.413 20 30 EEEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001000686985 1240735999 /nfs/dbraw/zinc/73/59/99/1240735999.db2.gz SUHLMDVVZBKGOF-IBGZPJMESA-N 2 1 343.515 2.413 20 30 EEEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001000686985 1240736004 /nfs/dbraw/zinc/73/60/04/1240736004.db2.gz SUHLMDVVZBKGOF-IBGZPJMESA-N 2 1 343.515 2.413 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514408 1241189211 /nfs/dbraw/zinc/18/92/11/1241189211.db2.gz DQQALFHRAYYBAH-IPMKNSEASA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514408 1241189214 /nfs/dbraw/zinc/18/92/14/1241189214.db2.gz DQQALFHRAYYBAH-IPMKNSEASA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514408 1241189219 /nfs/dbraw/zinc/18/92/19/1241189219.db2.gz DQQALFHRAYYBAH-IPMKNSEASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049767760 1242134119 /nfs/dbraw/zinc/13/41/19/1242134119.db2.gz RAQDQLIZOVFBBN-QRVBRYPASA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049767760 1242134122 /nfs/dbraw/zinc/13/41/22/1242134122.db2.gz RAQDQLIZOVFBBN-QRVBRYPASA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049767760 1242134126 /nfs/dbraw/zinc/13/41/26/1242134126.db2.gz RAQDQLIZOVFBBN-QRVBRYPASA-N 2 1 331.504 2.338 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001001404198 1242206647 /nfs/dbraw/zinc/20/66/47/1242206647.db2.gz HLJBRBNBOFHJTC-SJORKVTESA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001404198 1242206662 /nfs/dbraw/zinc/20/66/62/1242206662.db2.gz HLJBRBNBOFHJTC-SJORKVTESA-N 2 1 339.911 2.442 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](C[C@H](F)CC)C[C@H]32)CC1 ZINC001050208123 1243122959 /nfs/dbraw/zinc/12/29/59/1243122959.db2.gz CAXHYQVKZOLNSF-IPMKNSEASA-N 2 1 349.494 2.003 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001050207394 1243123430 /nfs/dbraw/zinc/12/34/30/1243123430.db2.gz OOUOXQSVLCNUMG-RBUKOAKNSA-N 2 1 327.472 2.471 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105333 1245920959 /nfs/dbraw/zinc/92/09/59/1245920959.db2.gz NDQJVANSMNXHCW-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001101573817 1245977438 /nfs/dbraw/zinc/97/74/38/1245977438.db2.gz FIGBSWPHGMJXNU-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001054133565 1247484672 /nfs/dbraw/zinc/48/46/72/1247484672.db2.gz GEULWRNLPHSQNO-XLIONFOSSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001054133565 1247484679 /nfs/dbraw/zinc/48/46/79/1247484679.db2.gz GEULWRNLPHSQNO-XLIONFOSSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001054197918 1247686674 /nfs/dbraw/zinc/68/66/74/1247686674.db2.gz LQHDZLMSSJHDSG-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001054197918 1247686684 /nfs/dbraw/zinc/68/66/84/1247686684.db2.gz LQHDZLMSSJHDSG-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071828679 1254690126 /nfs/dbraw/zinc/69/01/26/1254690126.db2.gz SIBQXQDAZMSEKQ-FXAWDEMLSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001074880662 1257190009 /nfs/dbraw/zinc/19/00/09/1257190009.db2.gz QICJKGYGMXPXQW-BJJXKVORSA-N 2 1 336.867 2.085 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+]1CCCC1 ZINC001099552527 1258200556 /nfs/dbraw/zinc/20/05/56/1258200556.db2.gz OKSMYVWWFHUMAR-OKYOBFRVSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001186604221 1279175002 /nfs/dbraw/zinc/17/50/02/1279175002.db2.gz AYHBNJVDKWPWED-SFHVURJKSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186604221 1279175010 /nfs/dbraw/zinc/17/50/10/1279175010.db2.gz AYHBNJVDKWPWED-SFHVURJKSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186604221 1279175013 /nfs/dbraw/zinc/17/50/13/1279175013.db2.gz AYHBNJVDKWPWED-SFHVURJKSA-N 2 1 333.520 2.301 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001188139377 1279774990 /nfs/dbraw/zinc/77/49/90/1279774990.db2.gz MYIWAJOXFBEDGZ-WOJBJXKFSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCC3)C2)CC1 ZINC001194246469 1282955536 /nfs/dbraw/zinc/95/55/36/1282955536.db2.gz MYIDJAPKMQCDGZ-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC(C)C)C[C@H]2C)CC1 ZINC001211306544 1295811639 /nfs/dbraw/zinc/81/16/39/1295811639.db2.gz FEOUAGUECUJIBD-IEBWSBKVSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213871857 1296202126 /nfs/dbraw/zinc/20/21/26/1296202126.db2.gz KAZWEFIMPGLRAC-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914809 1296221684 /nfs/dbraw/zinc/22/16/84/1296221684.db2.gz YAIFZFJVVLEUIU-RCCFBDPRSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001221693314 1298991768 /nfs/dbraw/zinc/99/17/68/1298991768.db2.gz MMSYJGOTLFRLEE-VQIMIIECSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001221693314 1298991769 /nfs/dbraw/zinc/99/17/69/1298991769.db2.gz MMSYJGOTLFRLEE-VQIMIIECSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102013424 1300140979 /nfs/dbraw/zinc/14/09/79/1300140979.db2.gz XKQAUOVVFQNQOI-ZACQAIPSSA-N 2 1 327.488 2.317 20 30 EEEDMP C=C(Br)C[NH+]1CCC(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001225087424 1300882568 /nfs/dbraw/zinc/88/25/68/1300882568.db2.gz DQXGKPFCHSATJB-UHFFFAOYSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[NH+]1CCC(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001225087424 1300882584 /nfs/dbraw/zinc/88/25/84/1300882584.db2.gz DQXGKPFCHSATJB-UHFFFAOYSA-N 2 1 346.313 2.065 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H](C)C1 ZINC001102508958 1301162342 /nfs/dbraw/zinc/16/23/42/1301162342.db2.gz NGEFNNAMWJMMHE-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H](C)C1 ZINC001102508958 1301162347 /nfs/dbraw/zinc/16/23/47/1301162347.db2.gz NGEFNNAMWJMMHE-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H](C)C1 ZINC001102508958 1301162355 /nfs/dbraw/zinc/16/23/55/1301162355.db2.gz NGEFNNAMWJMMHE-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001226161210 1301281232 /nfs/dbraw/zinc/28/12/32/1301281232.db2.gz NQLGVIFHYAHVTQ-KZNAEPCWSA-N 2 1 337.508 2.079 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001226768082 1301545872 /nfs/dbraw/zinc/54/58/72/1301545872.db2.gz ZKRZLFRSLMPFHK-QRVBRYPASA-N 2 1 331.504 2.434 20 30 EEEDMP CCc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277238123 1301957134 /nfs/dbraw/zinc/95/71/34/1301957134.db2.gz AXKDNSFICGCQOG-VQTJNVASSA-N 2 1 326.488 2.188 20 30 EEEDMP C[NH+](C)CCCC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001228888589 1302506404 /nfs/dbraw/zinc/50/64/04/1302506404.db2.gz ISLKHDAWUIIRTP-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001114975273 1304578436 /nfs/dbraw/zinc/57/84/36/1304578436.db2.gz MHUKKBMTNGGJQH-BWTSREIZSA-N 2 1 327.472 2.374 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234401907 1304910377 /nfs/dbraw/zinc/91/03/77/1304910377.db2.gz IGFMUTOEJDZZND-DLBZAZTESA-N 2 1 348.491 2.132 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234401907 1304910380 /nfs/dbraw/zinc/91/03/80/1304910380.db2.gz IGFMUTOEJDZZND-DLBZAZTESA-N 2 1 348.491 2.132 20 30 EEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170353 1309364506 /nfs/dbraw/zinc/36/45/06/1309364506.db2.gz JRMKTQHQGAXUMD-QGZVFWFLSA-N 2 1 337.508 2.082 20 30 EEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170353 1309364514 /nfs/dbraw/zinc/36/45/14/1309364514.db2.gz JRMKTQHQGAXUMD-QGZVFWFLSA-N 2 1 337.508 2.082 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120448725 1309547243 /nfs/dbraw/zinc/54/72/43/1309547243.db2.gz FDCSSAYJHLCZIM-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448725 1309547252 /nfs/dbraw/zinc/54/72/52/1309547252.db2.gz FDCSSAYJHLCZIM-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448725 1309547263 /nfs/dbraw/zinc/54/72/63/1309547263.db2.gz FDCSSAYJHLCZIM-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149937466 1316097220 /nfs/dbraw/zinc/09/72/20/1316097220.db2.gz SJBRZZOMGOXTQU-IRXDYDNUSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149937466 1316097221 /nfs/dbraw/zinc/09/72/21/1316097221.db2.gz SJBRZZOMGOXTQU-IRXDYDNUSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149937466 1316097225 /nfs/dbraw/zinc/09/72/25/1316097225.db2.gz SJBRZZOMGOXTQU-IRXDYDNUSA-N 2 1 339.524 2.279 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150023956 1316130467 /nfs/dbraw/zinc/13/04/67/1316130467.db2.gz ZZKZGDKUTOVFAL-OALUTQOASA-N 2 1 349.519 2.034 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034221 1316942077 /nfs/dbraw/zinc/94/20/77/1316942077.db2.gz WNYSEFHAQJMKGV-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154034221 1316942078 /nfs/dbraw/zinc/94/20/78/1316942078.db2.gz WNYSEFHAQJMKGV-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154034221 1316942079 /nfs/dbraw/zinc/94/20/79/1316942079.db2.gz WNYSEFHAQJMKGV-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP C#CCOC[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001251840712 1317508291 /nfs/dbraw/zinc/50/82/91/1317508291.db2.gz SOJPGCFVQYBQRR-QGZVFWFLSA-N 2 1 348.512 2.047 20 30 EEEDMP C=CCOC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252493742 1317616973 /nfs/dbraw/zinc/61/69/73/1317616973.db2.gz SOWMUSAACNHMPQ-HAGHYFMRSA-N 2 1 330.472 2.335 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155621006 1317677705 /nfs/dbraw/zinc/67/77/05/1317677705.db2.gz LDXBPNVOLMQBNP-QZTJIDSGSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001155621006 1317677707 /nfs/dbraw/zinc/67/77/07/1317677707.db2.gz LDXBPNVOLMQBNP-QZTJIDSGSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001155621006 1317677714 /nfs/dbraw/zinc/67/77/14/1317677714.db2.gz LDXBPNVOLMQBNP-QZTJIDSGSA-N 2 1 339.524 2.279 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156373818 1317983779 /nfs/dbraw/zinc/98/37/79/1317983779.db2.gz ATGVDTICFPAYGN-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156373818 1317983783 /nfs/dbraw/zinc/98/37/83/1317983783.db2.gz ATGVDTICFPAYGN-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156373818 1317983788 /nfs/dbraw/zinc/98/37/88/1317983788.db2.gz ATGVDTICFPAYGN-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158036619 1318979297 /nfs/dbraw/zinc/97/92/97/1318979297.db2.gz DQIAAMHZYWNSHK-PMACEKPBSA-N 2 1 339.483 2.008 20 30 EEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001158474241 1319257610 /nfs/dbraw/zinc/25/76/10/1319257610.db2.gz URQSYGJMLCXNPR-VQIMIIECSA-N 2 1 337.483 2.145 20 30 EEEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001158474241 1319257614 /nfs/dbraw/zinc/25/76/14/1319257614.db2.gz URQSYGJMLCXNPR-VQIMIIECSA-N 2 1 337.483 2.145 20 30 EEEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001158474241 1319257618 /nfs/dbraw/zinc/25/76/18/1319257618.db2.gz URQSYGJMLCXNPR-VQIMIIECSA-N 2 1 337.483 2.145 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001159869078 1320008783 /nfs/dbraw/zinc/00/87/83/1320008783.db2.gz SFRNNSCRVZPZDE-AEFFLSMTSA-N 2 1 337.508 2.080 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001160209864 1320099755 /nfs/dbraw/zinc/09/97/55/1320099755.db2.gz ZNFBMCPUPVSZCQ-CVEARBPZSA-N 2 1 341.446 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001160209864 1320099757 /nfs/dbraw/zinc/09/97/57/1320099757.db2.gz ZNFBMCPUPVSZCQ-CVEARBPZSA-N 2 1 341.446 2.005 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001160209773 1320100175 /nfs/dbraw/zinc/10/01/75/1320100175.db2.gz WDOSJPMJWLMXLR-QAPCUYQASA-N 2 1 331.435 2.080 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001160209773 1320100176 /nfs/dbraw/zinc/10/01/76/1320100176.db2.gz WDOSJPMJWLMXLR-QAPCUYQASA-N 2 1 331.435 2.080 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC[NH2+]CCC)CCc1ccccc1 ZINC001162836905 1320971193 /nfs/dbraw/zinc/97/11/93/1320971193.db2.gz WHIQKVVLZYAWGH-FQEVSTJZSA-N 2 1 341.499 2.155 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC[NH2+]CCC)CCc1ccccc1 ZINC001162836905 1320971194 /nfs/dbraw/zinc/97/11/94/1320971194.db2.gz WHIQKVVLZYAWGH-FQEVSTJZSA-N 2 1 341.499 2.155 20 30 EEEDMP C[NH+](C)C1(CNc2ccc(CC#N)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC001164213535 1321320678 /nfs/dbraw/zinc/32/06/78/1321320678.db2.gz VJDRWPOPCBYGKA-UHFFFAOYSA-N 2 1 331.420 2.099 20 30 EEEDMP CCCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204882573 1322244041 /nfs/dbraw/zinc/24/40/41/1322244041.db2.gz IQPFSTWIFSWZQJ-GOSISDBHSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204882573 1322244045 /nfs/dbraw/zinc/24/40/45/1322244045.db2.gz IQPFSTWIFSWZQJ-GOSISDBHSA-N 2 1 339.524 2.116 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205668592 1323236947 /nfs/dbraw/zinc/23/69/47/1323236947.db2.gz GRWHHUMCNYZWDJ-PKOBYXMFSA-N 2 1 345.462 2.075 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567909 1324030143 /nfs/dbraw/zinc/03/01/43/1324030143.db2.gz GDSOCNLFMIHPFZ-CXAGYDPISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567909 1324030154 /nfs/dbraw/zinc/03/01/54/1324030154.db2.gz GDSOCNLFMIHPFZ-CXAGYDPISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207567909 1324030162 /nfs/dbraw/zinc/03/01/62/1324030162.db2.gz GDSOCNLFMIHPFZ-CXAGYDPISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207567909 1324030176 /nfs/dbraw/zinc/03/01/76/1324030176.db2.gz GDSOCNLFMIHPFZ-CXAGYDPISA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209641279 1324997284 /nfs/dbraw/zinc/99/72/84/1324997284.db2.gz IBLHDTVVVQVNCU-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001209727099 1325022591 /nfs/dbraw/zinc/02/25/91/1325022591.db2.gz JNUINUZJPXJUAS-GOSISDBHSA-N 2 1 330.432 2.105 20 30 EEEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001209727099 1325022594 /nfs/dbraw/zinc/02/25/94/1325022594.db2.gz JNUINUZJPXJUAS-GOSISDBHSA-N 2 1 330.432 2.105 20 30 EEEDMP CC(C)NC(=S)N[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC001317877442 1332439185 /nfs/dbraw/zinc/43/91/85/1332439185.db2.gz LUOKPBIYETZDKX-UHFFFAOYSA-N 2 1 347.532 2.423 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038390 1337948108 /nfs/dbraw/zinc/94/81/08/1337948108.db2.gz IWGVXDRPIVIRMY-ZWKOTPCHSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](O)C1 ZINC001100038390 1337948104 /nfs/dbraw/zinc/94/81/04/1337948104.db2.gz IWGVXDRPIVIRMY-ZWKOTPCHSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038390 1337948107 /nfs/dbraw/zinc/94/81/07/1337948107.db2.gz IWGVXDRPIVIRMY-ZWKOTPCHSA-N 2 1 339.524 2.016 20 30 EEEDMP N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CC[NH3+])C2)sc2c1CCC2 ZINC001580056372 1344460796 /nfs/dbraw/zinc/46/07/96/1344460796.db2.gz BDIRVWSJGZLBHS-LBPRGKRZSA-N 2 1 332.473 2.108 20 30 EEEDMP C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CC1CC[NH+](C)CC1 ZINC001588648760 1348927428 /nfs/dbraw/zinc/92/74/28/1348927428.db2.gz QDPPJJCRZCKDLO-UHFFFAOYSA-N 2 1 326.448 2.197 20 30 EEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC001198775663 1368644624 /nfs/dbraw/zinc/64/46/24/1368644624.db2.gz JDHQVLAVTVENQY-IRXDYDNUSA-N 2 1 331.460 2.112 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001389386380 1388091899 /nfs/dbraw/zinc/09/18/99/1388091899.db2.gz HBNZQSBXSVCZAO-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001389386380 1388091908 /nfs/dbraw/zinc/09/19/08/1388091908.db2.gz HBNZQSBXSVCZAO-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001365315285 1373700341 /nfs/dbraw/zinc/70/03/41/1373700341.db2.gz AMMXFBNQESSJOV-MOXMWUHRSA-N 2 1 346.519 2.189 20 30 EEEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001365315285 1373700346 /nfs/dbraw/zinc/70/03/46/1373700346.db2.gz AMMXFBNQESSJOV-MOXMWUHRSA-N 2 1 346.519 2.189 20 30 EEEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001365315285 1373700353 /nfs/dbraw/zinc/70/03/53/1373700353.db2.gz AMMXFBNQESSJOV-MOXMWUHRSA-N 2 1 346.519 2.189 20 30 EEEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001365315285 1373700357 /nfs/dbraw/zinc/70/03/57/1373700357.db2.gz AMMXFBNQESSJOV-MOXMWUHRSA-N 2 1 346.519 2.189 20 30 EEEDMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001368561031 1374435532 /nfs/dbraw/zinc/43/55/32/1374435532.db2.gz ZNMQKFRAAUALTD-SFHVURJKSA-N 2 1 348.466 2.318 20 30 EEEDMP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001374814919 1377089292 /nfs/dbraw/zinc/08/92/92/1377089292.db2.gz VBAWDNTUXBZOHM-CQSZACIVSA-N 2 1 348.466 2.270 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001375111556 1377380244 /nfs/dbraw/zinc/38/02/44/1377380244.db2.gz HEKYCUREANLLIV-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC001381530787 1381638835 /nfs/dbraw/zinc/63/88/35/1381638835.db2.gz LLFMGDZJHDTSDZ-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001381530787 1381638840 /nfs/dbraw/zinc/63/88/40/1381638840.db2.gz LLFMGDZJHDTSDZ-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001394131361 1390627361 /nfs/dbraw/zinc/62/73/61/1390627361.db2.gz XOIMHEWGIDTULH-KRWDZBQOSA-N 2 1 342.487 2.227 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)s1 ZINC001398347782 1392235694 /nfs/dbraw/zinc/23/56/94/1392235694.db2.gz WKCHKVQBQYSMCA-OAHLLOKOSA-N 2 1 346.500 2.186 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)s1 ZINC001398347782 1392235736 /nfs/dbraw/zinc/23/57/36/1392235736.db2.gz WKCHKVQBQYSMCA-OAHLLOKOSA-N 2 1 346.500 2.186 20 30 EEEDMP CC(C)[C@@H](C(=O)NCC[N@@H+](Cc1cccc(C#N)c1)C1CC1)[NH+](C)C ZINC001400004370 1395797824 /nfs/dbraw/zinc/79/78/24/1395797824.db2.gz IPJBWIQIBKFDIC-IBGZPJMESA-N 2 1 342.487 2.225 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)Cc2ccc(C#N)s2)C1 ZINC001400228534 1396077395 /nfs/dbraw/zinc/07/73/95/1396077395.db2.gz MSZSXPWXYIZWGC-HNNXBMFYSA-N 2 1 348.516 2.242 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001400228534 1396077419 /nfs/dbraw/zinc/07/74/19/1396077419.db2.gz MSZSXPWXYIZWGC-HNNXBMFYSA-N 2 1 348.516 2.242 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001400228534 1396077433 /nfs/dbraw/zinc/07/74/33/1396077433.db2.gz MSZSXPWXYIZWGC-HNNXBMFYSA-N 2 1 348.516 2.242 20 30 EEEDMP C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC[NH+](CCC)CC1 ZINC001754638582 1406937350 /nfs/dbraw/zinc/93/73/50/1406937350.db2.gz CYNDDZMRVOOALU-PKOBYXMFSA-N 2 1 331.504 2.340 20 30 EEEDMP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)Cc1ccccc1C#N ZINC001422566167 1400027556 /nfs/dbraw/zinc/02/75/56/1400027556.db2.gz TYDHXERTODWZPQ-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)Cc1ccccc1C#N ZINC001422566167 1400027562 /nfs/dbraw/zinc/02/75/62/1400027562.db2.gz TYDHXERTODWZPQ-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)Cc1ccccc1C#N ZINC001422566167 1400027567 /nfs/dbraw/zinc/02/75/67/1400027567.db2.gz TYDHXERTODWZPQ-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)Cc1ccccc1C#N ZINC001422566167 1400027577 /nfs/dbraw/zinc/02/75/77/1400027577.db2.gz TYDHXERTODWZPQ-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001755075912 1407088072 /nfs/dbraw/zinc/08/80/72/1407088072.db2.gz PDTXRXDWIOQKHX-OALUTQOASA-N 2 1 329.488 2.446 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001755075912 1407088077 /nfs/dbraw/zinc/08/80/77/1407088077.db2.gz PDTXRXDWIOQKHX-OALUTQOASA-N 2 1 329.488 2.446 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001112396912 1410896064 /nfs/dbraw/zinc/89/60/64/1410896064.db2.gz JXMBKPJWYXKTHL-QKLQHJQFSA-N 2 1 340.471 2.002 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@@H](C)F)[C@@H]2CC)CC1 ZINC001087839956 782348196 /nfs/dbraw/zinc/34/81/96/782348196.db2.gz BGQNITWJKBFADV-BPQIPLTHSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573177 761929823 /nfs/dbraw/zinc/92/98/23/761929823.db2.gz KRSQHRSOCQRGFQ-QRVBRYPASA-N 2 1 333.520 2.206 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001203204035 759803294 /nfs/dbraw/zinc/80/32/94/759803294.db2.gz XFQMNVZJIRAPPV-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676763 764721925 /nfs/dbraw/zinc/72/19/25/764721925.db2.gz XBZKZUBIHSUXTQ-VNQPRFMTSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087994062 782732365 /nfs/dbraw/zinc/73/23/65/782732365.db2.gz POKWXSLGUOWNKR-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087994062 782732369 /nfs/dbraw/zinc/73/23/69/782732369.db2.gz POKWXSLGUOWNKR-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087994062 782732373 /nfs/dbraw/zinc/73/23/73/782732373.db2.gz POKWXSLGUOWNKR-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540205 770171303 /nfs/dbraw/zinc/17/13/03/770171303.db2.gz SIOUPAMZHCICGI-HNNXBMFYSA-N 2 1 339.911 2.442 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C(C)C)C[C@@H]2C1 ZINC001088125636 782945321 /nfs/dbraw/zinc/94/53/21/782945321.db2.gz SIUAQJXQGZUWHF-SJORKVTESA-N 2 1 330.476 2.363 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088125636 782945327 /nfs/dbraw/zinc/94/53/27/782945327.db2.gz SIUAQJXQGZUWHF-SJORKVTESA-N 2 1 330.476 2.363 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088125636 782945334 /nfs/dbraw/zinc/94/53/34/782945334.db2.gz SIUAQJXQGZUWHF-SJORKVTESA-N 2 1 330.476 2.363 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980080096 773833515 /nfs/dbraw/zinc/83/35/15/773833515.db2.gz AJQWNFQRXGETMH-RCCFBDPRSA-N 2 1 331.504 2.408 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980138969 773928607 /nfs/dbraw/zinc/92/86/07/773928607.db2.gz IEDJFCXNNLKGFE-RCCFBDPRSA-N 2 1 336.439 2.188 20 30 EEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997613193 790446069 /nfs/dbraw/zinc/44/60/69/790446069.db2.gz FPNKAQRKYRFGHM-PKOBYXMFSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116995 779127771 /nfs/dbraw/zinc/12/77/71/779127771.db2.gz WOYHSDCYSYNHGQ-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@]2(C)C1 ZINC000982283143 779531217 /nfs/dbraw/zinc/53/12/17/779531217.db2.gz NQOOICAAGLSABF-AHRSYUTCSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@]2(C)C1 ZINC000982283143 779531224 /nfs/dbraw/zinc/53/12/24/779531224.db2.gz NQOOICAAGLSABF-AHRSYUTCSA-N 2 1 342.487 2.200 20 30 EEEDMP C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261695069 780422908 /nfs/dbraw/zinc/42/29/08/780422908.db2.gz FNUXDRJGIPAOII-HWWQOWPSSA-N 2 1 333.480 2.043 20 30 EEEDMP C=CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001089860925 780865419 /nfs/dbraw/zinc/86/54/19/780865419.db2.gz CNHLMQSXLACLII-MHORFTMASA-N 2 1 331.504 2.073 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089860925 780865424 /nfs/dbraw/zinc/86/54/24/780865424.db2.gz CNHLMQSXLACLII-MHORFTMASA-N 2 1 331.504 2.073 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089860925 780865428 /nfs/dbraw/zinc/86/54/28/780865428.db2.gz CNHLMQSXLACLII-MHORFTMASA-N 2 1 331.504 2.073 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122384 780870982 /nfs/dbraw/zinc/87/09/82/780870982.db2.gz KKWOGWWJPLDTOG-RBSFLKMASA-N 2 1 347.425 2.416 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105395811 781888733 /nfs/dbraw/zinc/88/87/33/781888733.db2.gz FRNGNEZUJXWZQQ-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105395811 781888741 /nfs/dbraw/zinc/88/87/41/781888741.db2.gz FRNGNEZUJXWZQQ-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105395811 781888751 /nfs/dbraw/zinc/88/87/51/781888751.db2.gz FRNGNEZUJXWZQQ-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942172714 781888662 /nfs/dbraw/zinc/88/86/62/781888662.db2.gz MDGGLBBGMHIWGG-GOEBONIOSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942172714 781888670 /nfs/dbraw/zinc/88/86/70/781888670.db2.gz MDGGLBBGMHIWGG-GOEBONIOSA-N 2 1 339.911 2.442 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc(-n3ccnc3)c1)CC2 ZINC001035249373 784192207 /nfs/dbraw/zinc/19/22/07/784192207.db2.gz TXPNOXSWHVBFPS-UHFFFAOYSA-N 2 1 348.450 2.434 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260147 784215406 /nfs/dbraw/zinc/21/54/06/784215406.db2.gz OPQFDDODQBBBMX-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107451208 787271371 /nfs/dbraw/zinc/27/13/71/787271371.db2.gz RHPNWPAFIZSPGB-NLWGTHIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107451208 787271375 /nfs/dbraw/zinc/27/13/75/787271375.db2.gz RHPNWPAFIZSPGB-NLWGTHIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107451208 787271382 /nfs/dbraw/zinc/27/13/82/787271382.db2.gz RHPNWPAFIZSPGB-NLWGTHIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991498873 789128224 /nfs/dbraw/zinc/12/82/24/789128224.db2.gz CHIBCFMQMPAPCX-WMZOPIPTSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991498873 789128230 /nfs/dbraw/zinc/12/82/30/789128230.db2.gz CHIBCFMQMPAPCX-WMZOPIPTSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520461 789711772 /nfs/dbraw/zinc/71/17/72/789711772.db2.gz ZXHUMQXRMSQOBS-OWCLPIDISA-N 2 1 333.501 2.193 20 30 EEEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520461 789711779 /nfs/dbraw/zinc/71/17/79/789711779.db2.gz ZXHUMQXRMSQOBS-OWCLPIDISA-N 2 1 333.501 2.193 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089908304 789784011 /nfs/dbraw/zinc/78/40/11/789784011.db2.gz SNOBTSQNZKHPNA-RDGPPVDQSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCC1 ZINC001032453514 789816755 /nfs/dbraw/zinc/81/67/55/789816755.db2.gz CMHRKQYENDBUHC-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCC1 ZINC001032453514 789816758 /nfs/dbraw/zinc/81/67/58/789816758.db2.gz CMHRKQYENDBUHC-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1 ZINC001032453514 789816765 /nfs/dbraw/zinc/81/67/65/789816765.db2.gz CMHRKQYENDBUHC-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1 ZINC001032453514 789816768 /nfs/dbraw/zinc/81/67/68/789816768.db2.gz CMHRKQYENDBUHC-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146594828 791365833 /nfs/dbraw/zinc/36/58/33/791365833.db2.gz VHRVLCRRQQXLGL-QZTJIDSGSA-N 2 1 329.488 2.251 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@H]1C ZINC001088975981 791792923 /nfs/dbraw/zinc/79/29/23/791792923.db2.gz AIUBLJOWMWOCQO-WBVHZDCISA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001032590874 791823498 /nfs/dbraw/zinc/82/34/98/791823498.db2.gz BYEZPYBFHGJIEL-SZMVWBNQSA-N 2 1 328.460 2.005 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001032590874 791823504 /nfs/dbraw/zinc/82/35/04/791823504.db2.gz BYEZPYBFHGJIEL-SZMVWBNQSA-N 2 1 328.460 2.005 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl ZINC001171307290 791851512 /nfs/dbraw/zinc/85/15/12/791851512.db2.gz HWWBYBMUHPTAGI-MOVUHUBBSA-N 2 1 325.884 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl ZINC001171307290 791851517 /nfs/dbraw/zinc/85/15/17/791851517.db2.gz HWWBYBMUHPTAGI-MOVUHUBBSA-N 2 1 325.884 2.101 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171330035 792342087 /nfs/dbraw/zinc/34/20/87/792342087.db2.gz RCGCRQXTRKQCEA-MSOLQXFVSA-N 2 1 339.524 2.328 20 30 EEEDMP N#CC1(CCCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC1 ZINC000929512991 792627279 /nfs/dbraw/zinc/62/72/79/792627279.db2.gz OKNQWENOBNGZQW-UHFFFAOYSA-N 2 1 332.492 2.091 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCCCCF)C3)CC1 ZINC001148827316 792702493 /nfs/dbraw/zinc/70/24/93/792702493.db2.gz AASHGRONFQXITO-UHFFFAOYSA-N 2 1 349.494 2.006 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091960058 793464096 /nfs/dbraw/zinc/46/40/96/793464096.db2.gz LXEFPKIWKOBXPQ-APWZRJJASA-N 2 1 331.460 2.311 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091960058 793464101 /nfs/dbraw/zinc/46/41/01/793464101.db2.gz LXEFPKIWKOBXPQ-APWZRJJASA-N 2 1 331.460 2.311 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000998995728 793649139 /nfs/dbraw/zinc/64/91/39/793649139.db2.gz UDQBYYKJIGCXRH-CTWPCTMYSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092300314 793776557 /nfs/dbraw/zinc/77/65/57/793776557.db2.gz VCCCULWUWAWRTL-NQIIRXRSSA-N 2 1 339.483 2.165 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C[C@@H](F)CC)CC3)CC1 ZINC000992502955 794429459 /nfs/dbraw/zinc/42/94/59/794429459.db2.gz CNMLBEYQDJJECG-BJLQDIEVSA-N 2 1 349.494 2.193 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834409 795339391 /nfs/dbraw/zinc/33/93/91/795339391.db2.gz JNNNWWOMZVTRIO-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834409 795339398 /nfs/dbraw/zinc/33/93/98/795339398.db2.gz JNNNWWOMZVTRIO-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC/C=C/CC)CC1 ZINC001110147213 795388073 /nfs/dbraw/zinc/38/80/73/795388073.db2.gz PWEOJYXLRPQNSA-UOUNDWCUSA-N 2 1 343.515 2.409 20 30 EEEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172990839 797176222 /nfs/dbraw/zinc/17/62/22/797176222.db2.gz RRZNQZHMUWMNBI-PASDCYSWSA-N 2 1 348.491 2.162 20 30 EEEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172990839 797176227 /nfs/dbraw/zinc/17/62/27/797176227.db2.gz RRZNQZHMUWMNBI-PASDCYSWSA-N 2 1 348.491 2.162 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)[C@@H]2C)CC1 ZINC000994501152 798107262 /nfs/dbraw/zinc/10/72/62/798107262.db2.gz SEPPHIMQSKNYNR-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563774 798497778 /nfs/dbraw/zinc/49/77/78/798497778.db2.gz HGUCJLMSKIUAKW-LPHOPBHVSA-N 2 1 342.487 2.275 20 30 EEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176819544 798584481 /nfs/dbraw/zinc/58/44/81/798584481.db2.gz CCCMLBPBFGMLRX-GOSISDBHSA-N 2 1 329.488 2.406 20 30 EEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176819544 798584483 /nfs/dbraw/zinc/58/44/83/798584483.db2.gz CCCMLBPBFGMLRX-GOSISDBHSA-N 2 1 329.488 2.406 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001016331713 798593712 /nfs/dbraw/zinc/59/37/12/798593712.db2.gz KTPYBXFIBJQWPJ-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)[C@H]1C ZINC001178746538 799609206 /nfs/dbraw/zinc/60/92/06/799609206.db2.gz IRTPJTYJZJPUIB-MPGHIAIKSA-N 2 1 345.491 2.335 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)[C@H]1C ZINC001178746538 799609208 /nfs/dbraw/zinc/60/92/08/799609208.db2.gz IRTPJTYJZJPUIB-MPGHIAIKSA-N 2 1 345.491 2.335 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001179553890 799989697 /nfs/dbraw/zinc/98/96/97/799989697.db2.gz DPZCHIFNLRZRFU-WMZOPIPTSA-N 2 1 349.906 2.492 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001085250008 800287179 /nfs/dbraw/zinc/28/71/79/800287179.db2.gz BEXXDVHKDZAUHX-BZUAXINKSA-N 2 1 330.476 2.416 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108206696 801118188 /nfs/dbraw/zinc/11/81/88/801118188.db2.gz HILKIIOGZJYVTK-PKOBYXMFSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccsc2)CC1 ZINC001085987061 801841775 /nfs/dbraw/zinc/84/17/75/801841775.db2.gz SQHDTSJVATYCOZ-GOSISDBHSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccsc2)CC1 ZINC001085987061 801841779 /nfs/dbraw/zinc/84/17/79/801841779.db2.gz SQHDTSJVATYCOZ-GOSISDBHSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004441199 802051545 /nfs/dbraw/zinc/05/15/45/802051545.db2.gz HGWHGMVOILLRIE-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004441199 802051548 /nfs/dbraw/zinc/05/15/48/802051548.db2.gz HGWHGMVOILLRIE-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004441199 802051554 /nfs/dbraw/zinc/05/15/54/802051554.db2.gz HGWHGMVOILLRIE-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004438362 802064014 /nfs/dbraw/zinc/06/40/14/802064014.db2.gz OVLAQFTZFIGWDC-RBUKOAKNSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004438360 802064315 /nfs/dbraw/zinc/06/43/15/802064315.db2.gz OVLAQFTZFIGWDC-MOPGFXCFSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001184822747 802210514 /nfs/dbraw/zinc/21/05/14/802210514.db2.gz VVDQHKVKZUWCPZ-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141046 802316316 /nfs/dbraw/zinc/31/63/16/802316316.db2.gz JYRMTEUNDIRLNL-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033141046 802316320 /nfs/dbraw/zinc/31/63/20/802316320.db2.gz JYRMTEUNDIRLNL-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033141046 802316328 /nfs/dbraw/zinc/31/63/28/802316328.db2.gz JYRMTEUNDIRLNL-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946643052 802553509 /nfs/dbraw/zinc/55/35/09/802553509.db2.gz ZKTOLGGOBNLHKC-IYWMVGAKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946643052 802553515 /nfs/dbraw/zinc/55/35/15/802553515.db2.gz ZKTOLGGOBNLHKC-IYWMVGAKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946643052 802553523 /nfs/dbraw/zinc/55/35/23/802553523.db2.gz ZKTOLGGOBNLHKC-IYWMVGAKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033161967 802688900 /nfs/dbraw/zinc/68/89/00/802688900.db2.gz PATJFPNKNJPHDC-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033161967 802688904 /nfs/dbraw/zinc/68/89/04/802688904.db2.gz PATJFPNKNJPHDC-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033161967 802688906 /nfs/dbraw/zinc/68/89/06/802688906.db2.gz PATJFPNKNJPHDC-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033161967 802688909 /nfs/dbraw/zinc/68/89/09/802688909.db2.gz PATJFPNKNJPHDC-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082705 802957794 /nfs/dbraw/zinc/95/77/94/802957794.db2.gz HATNCVUIWMADSH-QZTJIDSGSA-N 2 1 341.540 2.240 20 30 EEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100082705 802957799 /nfs/dbraw/zinc/95/77/99/802957799.db2.gz HATNCVUIWMADSH-QZTJIDSGSA-N 2 1 341.540 2.240 20 30 EEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100082705 802957803 /nfs/dbraw/zinc/95/78/03/802957803.db2.gz HATNCVUIWMADSH-QZTJIDSGSA-N 2 1 341.540 2.240 20 30 EEEDMP C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)CCCC[NH+](C)C)c2C1 ZINC001128555430 803009890 /nfs/dbraw/zinc/00/98/90/803009890.db2.gz YFEMQEKCWYLZSG-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)CCCC[NH+](C)C)c2C1 ZINC001128555430 803009896 /nfs/dbraw/zinc/00/98/96/803009896.db2.gz YFEMQEKCWYLZSG-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086497466 803129241 /nfs/dbraw/zinc/12/92/41/803129241.db2.gz NDTIMGULEJYQAL-JYJNAYRXSA-N 2 1 327.900 2.486 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717592 804387508 /nfs/dbraw/zinc/38/75/08/804387508.db2.gz PONNTKFWCCKIJB-ZNMIVQPWSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620179 810648245 /nfs/dbraw/zinc/64/82/45/810648245.db2.gz BLGAMVYWZMDDCG-RBUKOAKNSA-N 2 1 339.483 2.243 20 30 EEEDMP CN(C(=O)C1([NH+](C)C)CCC1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001438225321 1090705357 /nfs/dbraw/zinc/70/53/57/1090705357.db2.gz APWMUXCDMHGRQJ-SFHVURJKSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)C1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001438225321 1090705361 /nfs/dbraw/zinc/70/53/61/1090705361.db2.gz APWMUXCDMHGRQJ-SFHVURJKSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccccc1Br ZINC000491474272 246041072 /nfs/dbraw/zinc/04/10/72/246041072.db2.gz LJYOEZYGHWZWFO-HNNXBMFYSA-N 2 1 325.250 2.027 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccccc1Br ZINC000491474272 246041077 /nfs/dbraw/zinc/04/10/77/246041077.db2.gz LJYOEZYGHWZWFO-HNNXBMFYSA-N 2 1 325.250 2.027 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000128239801 292338454 /nfs/dbraw/zinc/33/84/54/292338454.db2.gz QJWHHVABZPIYHS-UHFFFAOYSA-N 2 1 342.487 2.369 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOc1cccc(C#N)c1 ZINC000374419980 167038683 /nfs/dbraw/zinc/03/86/83/167038683.db2.gz JULMSAHLAZLUPY-NEWSRXKRSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOc1cccc(C#N)c1 ZINC000374419980 167038686 /nfs/dbraw/zinc/03/86/86/167038686.db2.gz JULMSAHLAZLUPY-NEWSRXKRSA-N 2 1 329.444 2.121 20 30 EEEDMP Cn1ccnc1CN1CCC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000328912849 465164408 /nfs/dbraw/zinc/16/44/08/465164408.db2.gz HPLFPFONXIERGM-IAGOWNOFSA-N 2 1 345.491 2.215 20 30 EEEDMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000328912849 465164414 /nfs/dbraw/zinc/16/44/14/465164414.db2.gz HPLFPFONXIERGM-IAGOWNOFSA-N 2 1 345.491 2.215 20 30 EEEDMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000328912849 465164422 /nfs/dbraw/zinc/16/44/22/465164422.db2.gz HPLFPFONXIERGM-IAGOWNOFSA-N 2 1 345.491 2.215 20 30 EEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351496022 465185984 /nfs/dbraw/zinc/18/59/84/465185984.db2.gz QVJACLQKQPYSQS-OTRWWLKZSA-N 2 1 333.501 2.320 20 30 EEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351496022 465185990 /nfs/dbraw/zinc/18/59/90/465185990.db2.gz QVJACLQKQPYSQS-OTRWWLKZSA-N 2 1 333.501 2.320 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000296759208 465232830 /nfs/dbraw/zinc/23/28/30/465232830.db2.gz FQIZKDQQLZGXLI-UHFFFAOYSA-N 2 1 342.487 2.037 20 30 EEEDMP C[NH+]=C(NCc1ccoc1)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000262364480 464011570 /nfs/dbraw/zinc/01/15/70/464011570.db2.gz HKAVGTVXXJMEFA-UHFFFAOYSA-N 2 1 326.444 2.044 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000172584869 464111308 /nfs/dbraw/zinc/11/13/08/464111308.db2.gz XDUBNRSKPIPXFD-UHFFFAOYSA-N 2 1 334.508 2.297 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1ccc(OC)c(OC)c1 ZINC000264068317 464279336 /nfs/dbraw/zinc/27/93/36/464279336.db2.gz CEEMQUJNBDIQFT-INIZCTEOSA-N 2 1 348.491 2.025 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NC(=O)C(C)C)cc1 ZINC000264153324 464288862 /nfs/dbraw/zinc/28/88/62/464288862.db2.gz ZVZSISLRHKNUPC-QGZVFWFLSA-N 2 1 345.491 2.170 20 30 EEEDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000293637637 464416000 /nfs/dbraw/zinc/41/60/00/464416000.db2.gz ROAUZZMQQHZTHA-PMACEKPBSA-N 2 1 326.488 2.428 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000295037814 464685756 /nfs/dbraw/zinc/68/57/56/464685756.db2.gz PEGQOOJIOQVFCD-MRXNPFEDSA-N 2 1 333.451 2.268 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000295037814 464685760 /nfs/dbraw/zinc/68/57/60/464685760.db2.gz PEGQOOJIOQVFCD-MRXNPFEDSA-N 2 1 333.451 2.268 20 30 EEEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248603046 464770794 /nfs/dbraw/zinc/77/07/94/464770794.db2.gz VPLQOTCIHHJMGL-BXWFABGCSA-N 2 1 334.508 2.283 20 30 EEEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248603046 464770796 /nfs/dbraw/zinc/77/07/96/464770796.db2.gz VPLQOTCIHHJMGL-BXWFABGCSA-N 2 1 334.508 2.283 20 30 EEEDMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330233457 465580480 /nfs/dbraw/zinc/58/04/80/465580480.db2.gz SCEOCOMDHTVDNB-SQNIBIBYSA-N 2 1 335.492 2.338 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424181656 466998663 /nfs/dbraw/zinc/99/86/63/466998663.db2.gz ROFNHILNEYBHSX-WMZOPIPTSA-N 2 1 328.460 2.131 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000445083896 467583943 /nfs/dbraw/zinc/58/39/43/467583943.db2.gz PXKHGNBKMRNHDK-UHFFFAOYSA-N 2 1 336.524 2.448 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000488801917 468105746 /nfs/dbraw/zinc/10/57/46/468105746.db2.gz QIHFBELFBBBEFR-LZLYRXPVSA-N 2 1 334.508 2.009 20 30 EEEDMP C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000586781286 469064865 /nfs/dbraw/zinc/06/48/65/469064865.db2.gz YMHOAHHITPNCRG-ZZJWQFMZSA-N 2 1 343.471 2.049 20 30 EEEDMP N#CCN1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000610813769 469078281 /nfs/dbraw/zinc/07/82/81/469078281.db2.gz SPJOXFYFFUPZFV-UHFFFAOYSA-N 2 1 344.478 2.410 20 30 EEEDMP C[C@H]1CC(=NNC(=S)NCCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000757574124 577860399 /nfs/dbraw/zinc/86/03/99/577860399.db2.gz HFNLJSYJVQZTSK-HNNXBMFYSA-N 2 1 347.532 2.053 20 30 EEEDMP C[C@H]1CC(=NNC(=S)NCCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000757574124 577860400 /nfs/dbraw/zinc/86/04/00/577860400.db2.gz HFNLJSYJVQZTSK-HNNXBMFYSA-N 2 1 347.532 2.053 20 30 EEEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000740737451 578106453 /nfs/dbraw/zinc/10/64/53/578106453.db2.gz NOHCMJNFVPDDQH-LJQANCHMSA-N 2 1 327.472 2.283 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021716988 676375979 /nfs/dbraw/zinc/37/59/79/676375979.db2.gz NCQMVYPOXNRJQM-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC000971686665 676740471 /nfs/dbraw/zinc/74/04/71/676740471.db2.gz DGYDDYBADQRWNS-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022220757 676742560 /nfs/dbraw/zinc/74/25/60/676742560.db2.gz NJMIULKQPBCDDL-DUBPFDJUSA-N 2 1 331.504 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022220757 676742562 /nfs/dbraw/zinc/74/25/62/676742562.db2.gz NJMIULKQPBCDDL-DUBPFDJUSA-N 2 1 331.504 2.147 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001022221883 676743248 /nfs/dbraw/zinc/74/32/48/676743248.db2.gz POULSZMWWPMQOI-ZCNNSNEGSA-N 2 1 339.483 2.083 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001022221883 676743249 /nfs/dbraw/zinc/74/32/49/676743249.db2.gz POULSZMWWPMQOI-ZCNNSNEGSA-N 2 1 339.483 2.083 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972009395 677966944 /nfs/dbraw/zinc/96/69/44/677966944.db2.gz RCKOPTKZZNVQLL-HZPDHXFCSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972009395 677966946 /nfs/dbraw/zinc/96/69/46/677966946.db2.gz RCKOPTKZZNVQLL-HZPDHXFCSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022746274 678398750 /nfs/dbraw/zinc/39/87/50/678398750.db2.gz KSXGOGDZAJIIDK-XDNAFOTISA-N 2 1 347.890 2.321 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001023130934 679137562 /nfs/dbraw/zinc/13/75/62/679137562.db2.gz NZMQLNTWBQWROP-CEXWTWQISA-N 2 1 340.471 2.169 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553124 679374451 /nfs/dbraw/zinc/37/44/51/679374451.db2.gz VWNGVYWHPHFLFS-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001023554000 679374586 /nfs/dbraw/zinc/37/45/86/679374586.db2.gz DUABFHQASCBPFE-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001024547059 680076706 /nfs/dbraw/zinc/07/67/06/680076706.db2.gz IHLOIVCQEQQELH-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(Cl)CN1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028592310 681239615 /nfs/dbraw/zinc/23/96/15/681239615.db2.gz KXFJXIXUVRRESI-HOTGVXAUSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028592310 681239618 /nfs/dbraw/zinc/23/96/18/681239618.db2.gz KXFJXIXUVRRESI-HOTGVXAUSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028592310 681239619 /nfs/dbraw/zinc/23/96/19/681239619.db2.gz KXFJXIXUVRRESI-HOTGVXAUSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592310 681239621 /nfs/dbraw/zinc/23/96/21/681239621.db2.gz KXFJXIXUVRRESI-HOTGVXAUSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592310 681239626 /nfs/dbraw/zinc/23/96/26/681239626.db2.gz KXFJXIXUVRRESI-HOTGVXAUSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845377 682343645 /nfs/dbraw/zinc/34/36/45/682343645.db2.gz JWGNWHVURQNDDG-HZPDHXFCSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845377 682343649 /nfs/dbraw/zinc/34/36/49/682343649.db2.gz JWGNWHVURQNDDG-HZPDHXFCSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845377 682343654 /nfs/dbraw/zinc/34/36/54/682343654.db2.gz JWGNWHVURQNDDG-HZPDHXFCSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845377 682343660 /nfs/dbraw/zinc/34/36/60/682343660.db2.gz JWGNWHVURQNDDG-HZPDHXFCSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025274794 682377227 /nfs/dbraw/zinc/37/72/27/682377227.db2.gz NZPIPBGPYQKQDT-MSOLQXFVSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025274794 682377230 /nfs/dbraw/zinc/37/72/30/682377230.db2.gz NZPIPBGPYQKQDT-MSOLQXFVSA-N 2 1 342.487 2.485 20 30 EEEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000261976908 682709127 /nfs/dbraw/zinc/70/91/27/682709127.db2.gz GIIPAACLLLFNCR-CYBMUJFWSA-N 2 1 330.432 2.059 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001025528902 682959886 /nfs/dbraw/zinc/95/98/86/682959886.db2.gz XQIMURKQGLEHAV-HZPDHXFCSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001025528902 682959891 /nfs/dbraw/zinc/95/98/91/682959891.db2.gz XQIMURKQGLEHAV-HZPDHXFCSA-N 2 1 346.475 2.287 20 30 EEEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCSCC2)[C@H]1c1cccs1 ZINC000262519238 686800983 /nfs/dbraw/zinc/80/09/83/686800983.db2.gz HUAJXOFLSODDMK-ZFWWWQNUSA-N 2 1 338.546 2.495 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001029920550 688319125 /nfs/dbraw/zinc/31/91/25/688319125.db2.gz HBTLZFFUOMARRD-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001029920550 688319129 /nfs/dbraw/zinc/31/91/29/688319129.db2.gz HBTLZFFUOMARRD-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001029920550 688319132 /nfs/dbraw/zinc/31/91/32/688319132.db2.gz HBTLZFFUOMARRD-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001029920550 688319138 /nfs/dbraw/zinc/31/91/38/688319138.db2.gz HBTLZFFUOMARRD-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)NC[C@@H]1CCCS1 ZINC000261975351 691217186 /nfs/dbraw/zinc/21/71/86/691217186.db2.gz NOOAYXPGMCACCC-HNNXBMFYSA-N 2 1 344.488 2.136 20 30 EEEDMP C=CCCC[C@@H]([NH3+])c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000904626644 694439518 /nfs/dbraw/zinc/43/95/18/694439518.db2.gz NKJPWTVQZUFHHR-CQSZACIVSA-N 2 1 331.420 2.428 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001027460572 692198792 /nfs/dbraw/zinc/19/87/92/692198792.db2.gz KVQKSJWLTJAYBR-RBUKOAKNSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001027460572 692198794 /nfs/dbraw/zinc/19/87/94/692198794.db2.gz KVQKSJWLTJAYBR-RBUKOAKNSA-N 2 1 342.487 2.321 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990685830 693218709 /nfs/dbraw/zinc/21/87/09/693218709.db2.gz MJWUDAJHZNSDKL-LZLYRXPVSA-N 2 1 337.895 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990685830 693218712 /nfs/dbraw/zinc/21/87/12/693218712.db2.gz MJWUDAJHZNSDKL-LZLYRXPVSA-N 2 1 337.895 2.194 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NCC[NH+](Cc2ccc(C#N)s2)C2CC2)CC[N@@H+]1C ZINC001481171042 1179981253 /nfs/dbraw/zinc/98/12/53/1179981253.db2.gz XQQZPKXUBDZITO-CXAGYDPISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NCC[NH+](Cc2ccc(C#N)s2)C2CC2)CC[N@H+]1C ZINC001481171042 1179981259 /nfs/dbraw/zinc/98/12/59/1179981259.db2.gz XQQZPKXUBDZITO-CXAGYDPISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NCC[N@H+](Cc2ccc(C#N)s2)C2CC2)CC[NH+]1C ZINC001481171042 1179981263 /nfs/dbraw/zinc/98/12/63/1179981263.db2.gz XQQZPKXUBDZITO-CXAGYDPISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](Cc2ccc(C#N)s2)C2CC2)CC[NH+]1C ZINC001481171042 1179981269 /nfs/dbraw/zinc/98/12/69/1179981269.db2.gz XQQZPKXUBDZITO-CXAGYDPISA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001088368628 1186683389 /nfs/dbraw/zinc/68/33/89/1186683389.db2.gz OLGGPUFDJUVXNX-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001088368628 1186683390 /nfs/dbraw/zinc/68/33/90/1186683390.db2.gz OLGGPUFDJUVXNX-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563520 1188179898 /nfs/dbraw/zinc/17/98/98/1188179898.db2.gz ONLNFQGEUGGWPC-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001203431462 1188217109 /nfs/dbraw/zinc/21/71/09/1188217109.db2.gz IWJVUQYWCFKUGW-UHFFFAOYSA-N 2 1 348.516 2.432 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033777017 1195260850 /nfs/dbraw/zinc/26/08/50/1195260850.db2.gz SFJWFFPAKZGDMQ-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033777379 1195261704 /nfs/dbraw/zinc/26/17/04/1195261704.db2.gz VIFDQZNONZTPBT-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005519777 1195913251 /nfs/dbraw/zinc/91/32/51/1195913251.db2.gz YNOIWISOZTVUER-IBGZPJMESA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005519777 1195913255 /nfs/dbraw/zinc/91/32/55/1195913255.db2.gz YNOIWISOZTVUER-IBGZPJMESA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001034716746 1196606641 /nfs/dbraw/zinc/60/66/41/1196606641.db2.gz RGEQRULUDLABTB-VGWMRTNUSA-N 2 1 327.900 2.486 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132154323 1199367566 /nfs/dbraw/zinc/36/75/66/1199367566.db2.gz YROLQVSYXHOVAS-WBVHZDCISA-N 2 1 342.443 2.120 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132142164 1199375991 /nfs/dbraw/zinc/37/59/91/1199375991.db2.gz YVUGPWNEGLECNI-IRXDYDNUSA-N 2 1 330.476 2.453 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132173533 1199389343 /nfs/dbraw/zinc/38/93/43/1199389343.db2.gz NMEWJNZOYPBHQB-NVXWUHKLSA-N 2 1 342.443 2.120 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170749976 1199559829 /nfs/dbraw/zinc/55/98/29/1199559829.db2.gz FEOXTDRKOQQYLM-ROUUACIJSA-N 2 1 339.524 2.326 20 30 EEEDMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001134608107 1199700244 /nfs/dbraw/zinc/70/02/44/1199700244.db2.gz QVQZNPSXOGRNNG-CVEARBPZSA-N 2 1 342.487 2.415 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132437316 1199709281 /nfs/dbraw/zinc/70/92/81/1199709281.db2.gz RMUHWAXLQRGLES-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132437316 1199709283 /nfs/dbraw/zinc/70/92/83/1199709283.db2.gz RMUHWAXLQRGLES-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132437316 1199709286 /nfs/dbraw/zinc/70/92/86/1199709286.db2.gz RMUHWAXLQRGLES-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132437316 1199709288 /nfs/dbraw/zinc/70/92/88/1199709288.db2.gz RMUHWAXLQRGLES-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000884141401 1202241328 /nfs/dbraw/zinc/24/13/28/1202241328.db2.gz YINFJBLABHNYSX-SFHVURJKSA-N 2 1 334.508 2.039 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000884141401 1202241329 /nfs/dbraw/zinc/24/13/29/1202241329.db2.gz YINFJBLABHNYSX-SFHVURJKSA-N 2 1 334.508 2.039 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](CCCc1cccc(C#N)c1)C2 ZINC001274891087 1205201847 /nfs/dbraw/zinc/20/18/47/1205201847.db2.gz RXCDFDIWDVEMRH-UHFFFAOYSA-N 2 1 340.515 2.450 20 30 EEEDMP C#CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001275975875 1205612985 /nfs/dbraw/zinc/61/29/85/1205612985.db2.gz ZEIADKOPYGKLSB-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3ccnc3C1)C2 ZINC001095646400 1205901774 /nfs/dbraw/zinc/90/17/74/1205901774.db2.gz ZYEQBAHLQFUGJL-YVSFHVDLSA-N 2 1 328.460 2.133 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001110959548 1206445277 /nfs/dbraw/zinc/44/52/77/1206445277.db2.gz PWFFSZBWIKOPAH-XYPHTWIQSA-N 2 1 346.500 2.183 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001110959548 1206445279 /nfs/dbraw/zinc/44/52/79/1206445279.db2.gz PWFFSZBWIKOPAH-XYPHTWIQSA-N 2 1 346.500 2.183 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101611 1208190148 /nfs/dbraw/zinc/19/01/48/1208190148.db2.gz ZBGYHUBCKAQCLY-ZACQAIPSSA-N 2 1 328.460 2.141 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101611 1208190150 /nfs/dbraw/zinc/19/01/50/1208190150.db2.gz ZBGYHUBCKAQCLY-ZACQAIPSSA-N 2 1 328.460 2.141 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820138 1209400549 /nfs/dbraw/zinc/40/05/49/1209400549.db2.gz AKUCDYUAQYFTME-KRWDZBQOSA-N 2 1 330.476 2.343 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820138 1209400551 /nfs/dbraw/zinc/40/05/51/1209400551.db2.gz AKUCDYUAQYFTME-KRWDZBQOSA-N 2 1 330.476 2.343 20 30 EEEDMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000948923322 1209454922 /nfs/dbraw/zinc/45/49/22/1209454922.db2.gz FZYBFFGDZQZOAA-SUMDDJOVSA-N 2 1 327.472 2.228 20 30 EEEDMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000948923322 1209454926 /nfs/dbraw/zinc/45/49/26/1209454926.db2.gz FZYBFFGDZQZOAA-SUMDDJOVSA-N 2 1 327.472 2.228 20 30 EEEDMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000948923322 1209454928 /nfs/dbraw/zinc/45/49/28/1209454928.db2.gz FZYBFFGDZQZOAA-SUMDDJOVSA-N 2 1 327.472 2.228 20 30 EEEDMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000948923322 1209454930 /nfs/dbraw/zinc/45/49/30/1209454930.db2.gz FZYBFFGDZQZOAA-SUMDDJOVSA-N 2 1 327.472 2.228 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CCO2 ZINC000949250865 1209594556 /nfs/dbraw/zinc/59/45/56/1209594556.db2.gz BIPIMFSFCGNJHD-HDICACEKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)CCc3ncc[nH]3)CC2)C1 ZINC000949352416 1209646408 /nfs/dbraw/zinc/64/64/08/1209646408.db2.gz UDELPNPSIUDOMY-UHFFFAOYSA-N 2 1 346.475 2.002 20 30 EEEDMP C=C(C)CN1CCOC2(CCN(C(=O)C[C@@H](C)n3ccnc3)CC2)C1 ZINC000949483022 1209708515 /nfs/dbraw/zinc/70/85/15/1209708515.db2.gz JWAZQSIZIHLBKS-QGZVFWFLSA-N 2 1 346.475 2.104 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(C)C)CC2 ZINC000957561138 1215212156 /nfs/dbraw/zinc/21/21/56/1215212156.db2.gz GFUGNLOBBUEOID-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(C)C)CC2 ZINC000957561138 1215212159 /nfs/dbraw/zinc/21/21/59/1215212159.db2.gz GFUGNLOBBUEOID-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC000960720253 1216833992 /nfs/dbraw/zinc/83/39/92/1216833992.db2.gz SONNSPMRGLIPNB-RHSMWYFYSA-N 2 1 348.516 2.383 20 30 EEEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000961206824 1217089413 /nfs/dbraw/zinc/08/94/13/1217089413.db2.gz XTLYDHNZUXWOON-HOTGVXAUSA-N 2 1 346.475 2.096 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000961206824 1217089416 /nfs/dbraw/zinc/08/94/16/1217089416.db2.gz XTLYDHNZUXWOON-HOTGVXAUSA-N 2 1 346.475 2.096 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961219762 1217095018 /nfs/dbraw/zinc/09/50/18/1217095018.db2.gz KEUGGVULIMHXLC-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253576 1217112035 /nfs/dbraw/zinc/11/20/35/1217112035.db2.gz QOIZPPZRDPDDFO-VQTJNVASSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373061 1217162751 /nfs/dbraw/zinc/16/27/51/1217162751.db2.gz FWKLGQPOGHWDOD-RTBURBONSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315508 1217508158 /nfs/dbraw/zinc/50/81/58/1217508158.db2.gz UTEXWVYXXLCXHZ-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386787 1217584174 /nfs/dbraw/zinc/58/41/74/1217584174.db2.gz RDKHHEZLCDRWRC-HOTGVXAUSA-N 2 1 328.460 2.024 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386787 1217584176 /nfs/dbraw/zinc/58/41/76/1217584176.db2.gz RDKHHEZLCDRWRC-HOTGVXAUSA-N 2 1 328.460 2.024 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000962304686 1217602154 /nfs/dbraw/zinc/60/21/54/1217602154.db2.gz CAQANJHJTQVOOT-MNNVXMFVSA-N 2 1 340.471 2.027 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416779 1221287982 /nfs/dbraw/zinc/28/79/82/1221287982.db2.gz AYNFAAUEMBQWAT-APWZRJJASA-N 2 1 327.472 2.212 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000968644508 1221459375 /nfs/dbraw/zinc/45/93/75/1221459375.db2.gz ADOWIGWRQQXJQH-RTBURBONSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C)CC1 ZINC000968681241 1221487777 /nfs/dbraw/zinc/48/77/77/1221487777.db2.gz HXKZIJQRJAFKEW-PKOBYXMFSA-N 2 1 333.520 2.204 20 30 EEEDMP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC000968915765 1221666593 /nfs/dbraw/zinc/66/65/93/1221666593.db2.gz PVSZKFHYOWNITP-QZTJIDSGSA-N 2 1 349.438 2.023 20 30 EEEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000968998463 1221728909 /nfs/dbraw/zinc/72/89/09/1221728909.db2.gz WYWMWRSXNKZNHB-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000968998463 1221728910 /nfs/dbraw/zinc/72/89/10/1221728910.db2.gz WYWMWRSXNKZNHB-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000968998463 1221728912 /nfs/dbraw/zinc/72/89/12/1221728912.db2.gz WYWMWRSXNKZNHB-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001016336092 1226359162 /nfs/dbraw/zinc/35/91/62/1226359162.db2.gz IBUOFZJBERHQDP-HXUWFJFHSA-N 2 1 343.515 2.413 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016791556 1226882163 /nfs/dbraw/zinc/88/21/63/1226882163.db2.gz NZDLVGZBYWRJLN-JYJNAYRXSA-N 2 1 339.911 2.440 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001018985477 1228606983 /nfs/dbraw/zinc/60/69/83/1228606983.db2.gz UGEIGGDPFGNURV-WDSOQIARSA-N 2 1 325.456 2.036 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001018985477 1228606987 /nfs/dbraw/zinc/60/69/87/1228606987.db2.gz UGEIGGDPFGNURV-WDSOQIARSA-N 2 1 325.456 2.036 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC2CC3(CCC3)C2)CC1 ZINC001039042696 1230258941 /nfs/dbraw/zinc/25/89/41/1230258941.db2.gz WEMIUCBFGCADEB-LJQANCHMSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039133325 1230342452 /nfs/dbraw/zinc/34/24/52/1230342452.db2.gz GTKSATYGGSICAG-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133325 1230342456 /nfs/dbraw/zinc/34/24/56/1230342456.db2.gz GTKSATYGGSICAG-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133325 1230342460 /nfs/dbraw/zinc/34/24/60/1230342460.db2.gz GTKSATYGGSICAG-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163413 1230385321 /nfs/dbraw/zinc/38/53/21/1230385321.db2.gz CLDYDCVUQXPINX-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163413 1230385324 /nfs/dbraw/zinc/38/53/24/1230385324.db2.gz CLDYDCVUQXPINX-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163413 1230385329 /nfs/dbraw/zinc/38/53/29/1230385329.db2.gz CLDYDCVUQXPINX-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167412 1230391017 /nfs/dbraw/zinc/39/10/17/1230391017.db2.gz TVLOSKIZNGRZCA-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167412 1230391021 /nfs/dbraw/zinc/39/10/21/1230391021.db2.gz TVLOSKIZNGRZCA-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167412 1230391025 /nfs/dbraw/zinc/39/10/25/1230391025.db2.gz TVLOSKIZNGRZCA-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848210 1231387221 /nfs/dbraw/zinc/38/72/21/1231387221.db2.gz FVXPQOHNELNKRZ-GOEBONIOSA-N 2 1 339.911 2.251 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041360454 1231519477 /nfs/dbraw/zinc/51/94/77/1231519477.db2.gz YMEFYDPXCZALQJ-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041360454 1231519478 /nfs/dbraw/zinc/51/94/78/1231519478.db2.gz YMEFYDPXCZALQJ-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041360454 1231519480 /nfs/dbraw/zinc/51/94/80/1231519480.db2.gz YMEFYDPXCZALQJ-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041366795 1231521860 /nfs/dbraw/zinc/52/18/60/1231521860.db2.gz BYGYWFSYHHPLDT-GHTZIAJQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041366795 1231521861 /nfs/dbraw/zinc/52/18/61/1231521861.db2.gz BYGYWFSYHHPLDT-GHTZIAJQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041366795 1231521863 /nfs/dbraw/zinc/52/18/63/1231521863.db2.gz BYGYWFSYHHPLDT-GHTZIAJQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041366795 1231521865 /nfs/dbraw/zinc/52/18/65/1231521865.db2.gz BYGYWFSYHHPLDT-GHTZIAJQSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041584653 1231608864 /nfs/dbraw/zinc/60/88/64/1231608864.db2.gz BWRHIPAQUSAAAI-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041584653 1231608867 /nfs/dbraw/zinc/60/88/67/1231608867.db2.gz BWRHIPAQUSAAAI-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041584653 1231608869 /nfs/dbraw/zinc/60/88/69/1231608869.db2.gz BWRHIPAQUSAAAI-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041597962 1231616554 /nfs/dbraw/zinc/61/65/54/1231616554.db2.gz IJJNATLOBDSVCT-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041597962 1231616556 /nfs/dbraw/zinc/61/65/56/1231616556.db2.gz IJJNATLOBDSVCT-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041666982 1231643590 /nfs/dbraw/zinc/64/35/90/1231643590.db2.gz BBRSKPMYOGFOQE-SFHVURJKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041666982 1231643591 /nfs/dbraw/zinc/64/35/91/1231643591.db2.gz BBRSKPMYOGFOQE-SFHVURJKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041666982 1231643592 /nfs/dbraw/zinc/64/35/92/1231643592.db2.gz BBRSKPMYOGFOQE-SFHVURJKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041666982 1231643596 /nfs/dbraw/zinc/64/35/96/1231643596.db2.gz BBRSKPMYOGFOQE-SFHVURJKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041843273 1231726836 /nfs/dbraw/zinc/72/68/36/1231726836.db2.gz NTIGMKWAFDEQAY-HXUWFJFHSA-N 2 1 327.472 2.472 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268420 1231993923 /nfs/dbraw/zinc/99/39/23/1231993923.db2.gz CZVMYDDZFFSTCR-UYAOXDASSA-N 2 1 339.483 2.308 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045663319 1233892863 /nfs/dbraw/zinc/89/28/63/1233892863.db2.gz LTXIATJAHDJEMY-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC[C@@H](C)F)CC1 ZINC001045896039 1234128176 /nfs/dbraw/zinc/12/81/76/1234128176.db2.gz SYFHOXXMUVMFCO-QRQLOZEOSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001045945770 1234207346 /nfs/dbraw/zinc/20/73/46/1234207346.db2.gz ZOJRCAQGRBYEGU-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCC)C2)C1 ZINC001045945770 1234207350 /nfs/dbraw/zinc/20/73/50/1234207350.db2.gz ZOJRCAQGRBYEGU-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001045945770 1234207352 /nfs/dbraw/zinc/20/73/52/1234207352.db2.gz ZOJRCAQGRBYEGU-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCC)C2)C1 ZINC001045945770 1234207355 /nfs/dbraw/zinc/20/73/55/1234207355.db2.gz ZOJRCAQGRBYEGU-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCC)C2)C1 ZINC001045945770 1234207357 /nfs/dbraw/zinc/20/73/57/1234207357.db2.gz ZOJRCAQGRBYEGU-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@]3(CC[N@H+](CC)C3)C2)CC1 ZINC001045986152 1234282170 /nfs/dbraw/zinc/28/21/70/1234282170.db2.gz IMTSTHFSOVLNEH-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265704 1235778753 /nfs/dbraw/zinc/77/87/53/1235778753.db2.gz VRUZPNDKGFYCCU-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001048558585 1237960799 /nfs/dbraw/zinc/96/07/99/1237960799.db2.gz YGEBRAMBYNXPNR-RDGPPVDQSA-N 2 1 349.519 2.031 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001048558585 1237960811 /nfs/dbraw/zinc/96/08/11/1237960811.db2.gz YGEBRAMBYNXPNR-RDGPPVDQSA-N 2 1 349.519 2.031 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001048558585 1237960816 /nfs/dbraw/zinc/96/08/16/1237960816.db2.gz YGEBRAMBYNXPNR-RDGPPVDQSA-N 2 1 349.519 2.031 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048828386 1238759765 /nfs/dbraw/zinc/75/97/65/1238759765.db2.gz VAZLIBWBZUZYTN-ZACQAIPSSA-N 2 1 330.476 2.363 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048828386 1238759772 /nfs/dbraw/zinc/75/97/72/1238759772.db2.gz VAZLIBWBZUZYTN-ZACQAIPSSA-N 2 1 330.476 2.363 20 30 EEEDMP C=C(Cl)CN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049482317 1241088657 /nfs/dbraw/zinc/08/86/57/1241088657.db2.gz MLXQRKOBDKJDJO-FPCVCCKLSA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049482317 1241088667 /nfs/dbraw/zinc/08/86/67/1241088667.db2.gz MLXQRKOBDKJDJO-FPCVCCKLSA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049482317 1241088680 /nfs/dbraw/zinc/08/86/80/1241088680.db2.gz MLXQRKOBDKJDJO-FPCVCCKLSA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049482317 1241088688 /nfs/dbraw/zinc/08/86/88/1241088688.db2.gz MLXQRKOBDKJDJO-FPCVCCKLSA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049482317 1241088697 /nfs/dbraw/zinc/08/86/97/1241088697.db2.gz MLXQRKOBDKJDJO-FPCVCCKLSA-N 2 1 325.884 2.144 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049568402 1241452994 /nfs/dbraw/zinc/45/29/94/1241452994.db2.gz VKQBMDFVKNLWRQ-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049568402 1241452999 /nfs/dbraw/zinc/45/29/99/1241452999.db2.gz VKQBMDFVKNLWRQ-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049568402 1241453006 /nfs/dbraw/zinc/45/30/06/1241453006.db2.gz VKQBMDFVKNLWRQ-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049909811 1242659448 /nfs/dbraw/zinc/65/94/48/1242659448.db2.gz CRHMILJRYRVYNN-UXHICEINSA-N 2 1 339.483 2.450 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001050121716 1242925373 /nfs/dbraw/zinc/92/53/73/1242925373.db2.gz DQWHTJWOGKVRPA-GBESFXJTSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050121716 1242925384 /nfs/dbraw/zinc/92/53/84/1242925384.db2.gz DQWHTJWOGKVRPA-GBESFXJTSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050121716 1242925391 /nfs/dbraw/zinc/92/53/91/1242925391.db2.gz DQWHTJWOGKVRPA-GBESFXJTSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001050523750 1243778735 /nfs/dbraw/zinc/77/87/35/1243778735.db2.gz IRPMXCZTALUVLC-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050686822 1244127049 /nfs/dbraw/zinc/12/70/49/1244127049.db2.gz CMXJFDHVBRYNBQ-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001097854038 1244689850 /nfs/dbraw/zinc/68/98/50/1244689850.db2.gz SWLKYKBHJJYLKH-JEWRLFTDSA-N 2 1 337.483 2.497 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097854038 1244689867 /nfs/dbraw/zinc/68/98/67/1244689867.db2.gz SWLKYKBHJJYLKH-JEWRLFTDSA-N 2 1 337.483 2.497 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097854038 1244689879 /nfs/dbraw/zinc/68/98/79/1244689879.db2.gz SWLKYKBHJJYLKH-JEWRLFTDSA-N 2 1 337.483 2.497 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC/C=C\CC)C[C@@]2(C)C1 ZINC001101270325 1245596926 /nfs/dbraw/zinc/59/69/26/1245596926.db2.gz KQBXUFVEIXBLOX-WEJWLXFYSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC/C=C\CC)C[C@@]2(C)C1 ZINC001101270325 1245596937 /nfs/dbraw/zinc/59/69/37/1245596937.db2.gz KQBXUFVEIXBLOX-WEJWLXFYSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC/C=C\CC)C[C@@]2(C)C1 ZINC001101270325 1245596943 /nfs/dbraw/zinc/59/69/43/1245596943.db2.gz KQBXUFVEIXBLOX-WEJWLXFYSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC/C=C\CC)C[C@@]2(C)C1 ZINC001101270325 1245596949 /nfs/dbraw/zinc/59/69/49/1245596949.db2.gz KQBXUFVEIXBLOX-WEJWLXFYSA-N 2 1 343.515 2.221 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)O2 ZINC001053621598 1246545170 /nfs/dbraw/zinc/54/51/70/1246545170.db2.gz IKTMHWFKMBKLRI-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)O2 ZINC001053646707 1246584743 /nfs/dbraw/zinc/58/47/43/1246584743.db2.gz CRPGBKVRVFWQEB-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001052253440 1246774613 /nfs/dbraw/zinc/77/46/13/1246774613.db2.gz DIJZUQZVFNBZFZ-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001052253440 1246774631 /nfs/dbraw/zinc/77/46/31/1246774631.db2.gz DIJZUQZVFNBZFZ-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001052253440 1246774642 /nfs/dbraw/zinc/77/46/42/1246774642.db2.gz DIJZUQZVFNBZFZ-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)CO2 ZINC001053945716 1247049226 /nfs/dbraw/zinc/04/92/26/1247049226.db2.gz FDCGUOQNSQVUIW-ZWKOTPCHSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438980 1247286190 /nfs/dbraw/zinc/28/61/90/1247286190.db2.gz FVSQZJGSRQFSIW-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001052438980 1247286197 /nfs/dbraw/zinc/28/61/97/1247286197.db2.gz FVSQZJGSRQFSIW-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001052438980 1247286203 /nfs/dbraw/zinc/28/62/03/1247286203.db2.gz FVSQZJGSRQFSIW-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001054133566 1247484485 /nfs/dbraw/zinc/48/44/85/1247484485.db2.gz GEULWRNLPHSQNO-YLJYHZDGSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001054133566 1247484489 /nfs/dbraw/zinc/48/44/89/1247484489.db2.gz GEULWRNLPHSQNO-YLJYHZDGSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071676507 1254496609 /nfs/dbraw/zinc/49/66/09/1254496609.db2.gz MNHIQVMYOLEEBI-CVEARBPZSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(Cl)CN1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072849329 1255430167 /nfs/dbraw/zinc/43/01/67/1255430167.db2.gz ACSOZNAEIYSYJK-HZPDHXFCSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072849329 1255430172 /nfs/dbraw/zinc/43/01/72/1255430172.db2.gz ACSOZNAEIYSYJK-HZPDHXFCSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072849329 1255430175 /nfs/dbraw/zinc/43/01/75/1255430175.db2.gz ACSOZNAEIYSYJK-HZPDHXFCSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001072849329 1255430176 /nfs/dbraw/zinc/43/01/76/1255430176.db2.gz ACSOZNAEIYSYJK-HZPDHXFCSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072849329 1255430179 /nfs/dbraw/zinc/43/01/79/1255430179.db2.gz ACSOZNAEIYSYJK-HZPDHXFCSA-N 2 1 337.895 2.290 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC2(CCOCC2)C1 ZINC001099598722 1258246870 /nfs/dbraw/zinc/24/68/70/1258246870.db2.gz KYHCTQYYJSZJJS-GOSISDBHSA-N 2 1 349.519 2.036 20 30 EEEDMP C[C@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)[NH+]1CCCCCC1 ZINC001134750017 1278009596 /nfs/dbraw/zinc/00/95/96/1278009596.db2.gz JNWCZLQCEYFJLW-OAHLLOKOSA-N 2 1 346.450 2.168 20 30 EEEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001110417449 1280478609 /nfs/dbraw/zinc/47/86/09/1280478609.db2.gz ZAKGALUKXBZIHR-ZJPYXAASSA-N 2 1 337.508 2.009 20 30 EEEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001110417449 1280478613 /nfs/dbraw/zinc/47/86/13/1280478613.db2.gz ZAKGALUKXBZIHR-ZJPYXAASSA-N 2 1 337.508 2.009 20 30 EEEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001110417449 1280478617 /nfs/dbraw/zinc/47/86/17/1280478617.db2.gz ZAKGALUKXBZIHR-ZJPYXAASSA-N 2 1 337.508 2.009 20 30 EEEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001110417449 1280478623 /nfs/dbraw/zinc/47/86/23/1280478623.db2.gz ZAKGALUKXBZIHR-ZJPYXAASSA-N 2 1 337.508 2.009 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258598 1280760719 /nfs/dbraw/zinc/76/07/19/1280760719.db2.gz LEUKNBXSFVYGRI-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258598 1280760725 /nfs/dbraw/zinc/76/07/25/1280760725.db2.gz LEUKNBXSFVYGRI-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001190258598 1280760732 /nfs/dbraw/zinc/76/07/32/1280760732.db2.gz LEUKNBXSFVYGRI-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001190258598 1280760739 /nfs/dbraw/zinc/76/07/39/1280760739.db2.gz LEUKNBXSFVYGRI-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245524 1282956210 /nfs/dbraw/zinc/95/62/10/1282956210.db2.gz BTDUJVNMEOYGAL-SFHVURJKSA-N 2 1 345.487 2.097 20 30 EEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001197158714 1284485784 /nfs/dbraw/zinc/48/57/84/1284485784.db2.gz VJDLDDZRDPHKGV-KRWDZBQOSA-N 2 1 330.476 2.254 20 30 EEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001197158714 1284485788 /nfs/dbraw/zinc/48/57/88/1284485788.db2.gz VJDLDDZRDPHKGV-KRWDZBQOSA-N 2 1 330.476 2.254 20 30 EEEDMP CCCCCCC[N@H+]1CCCN(C(=O)CCN2CCOCC2)CC1 ZINC001197453264 1284635369 /nfs/dbraw/zinc/63/53/69/1284635369.db2.gz CMKQLOSKMCPRBA-UHFFFAOYSA-N 2 1 339.524 2.213 20 30 EEEDMP CCCCCCC[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001197453264 1284635375 /nfs/dbraw/zinc/63/53/75/1284635375.db2.gz CMKQLOSKMCPRBA-UHFFFAOYSA-N 2 1 339.524 2.213 20 30 EEEDMP CCCCCCC[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001197453264 1284635384 /nfs/dbraw/zinc/63/53/84/1284635384.db2.gz CMKQLOSKMCPRBA-UHFFFAOYSA-N 2 1 339.524 2.213 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CCCC3)C2)CC1 ZINC001072094526 1295234833 /nfs/dbraw/zinc/23/48/33/1295234833.db2.gz AMEXLAZAUXMZIF-YLJYHZDGSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049396 1297917456 /nfs/dbraw/zinc/91/74/56/1297917456.db2.gz LYUOJXUZKOBHLS-CEXWTWQISA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099547247 1299207493 /nfs/dbraw/zinc/20/74/93/1299207493.db2.gz BMGGVMHOOVIPLB-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547247 1299207504 /nfs/dbraw/zinc/20/75/04/1299207504.db2.gz BMGGVMHOOVIPLB-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547247 1299207517 /nfs/dbraw/zinc/20/75/17/1299207517.db2.gz BMGGVMHOOVIPLB-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP C[N@H+](CC(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1)C1CCC1 ZINC001227833442 1301982697 /nfs/dbraw/zinc/98/26/97/1301982697.db2.gz YULIEUYTBLBWTH-UHFFFAOYSA-N 2 1 339.483 2.103 20 30 EEEDMP C[N@@H+](CC(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1)C1CCC1 ZINC001227833442 1301982703 /nfs/dbraw/zinc/98/27/03/1301982703.db2.gz YULIEUYTBLBWTH-UHFFFAOYSA-N 2 1 339.483 2.103 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001227957140 1302026043 /nfs/dbraw/zinc/02/60/43/1302026043.db2.gz CJTZBOUKPSKWQF-VAMGGRTRSA-N 2 1 339.483 2.149 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001103007217 1302056784 /nfs/dbraw/zinc/05/67/84/1302056784.db2.gz GDBBESOSZWVQOO-FGTMMUONSA-N 2 1 344.503 2.494 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001103007217 1302056787 /nfs/dbraw/zinc/05/67/87/1302056787.db2.gz GDBBESOSZWVQOO-FGTMMUONSA-N 2 1 344.503 2.494 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085256 1302189890 /nfs/dbraw/zinc/18/98/90/1302189890.db2.gz NVXIBJLLODRIDO-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103085256 1302189894 /nfs/dbraw/zinc/18/98/94/1302189894.db2.gz NVXIBJLLODRIDO-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103085256 1302189899 /nfs/dbraw/zinc/18/98/99/1302189899.db2.gz NVXIBJLLODRIDO-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436321 1302959239 /nfs/dbraw/zinc/95/92/39/1302959239.db2.gz TUVHFLVITLKVLM-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436321 1302959241 /nfs/dbraw/zinc/95/92/41/1302959241.db2.gz TUVHFLVITLKVLM-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C#CC[NH+](CCCNC(=O)C[N@@H+](C)CC(C)(C)C)Cc1cccnc1 ZINC001230846408 1303497421 /nfs/dbraw/zinc/49/74/21/1303497421.db2.gz IMJSPIDGFDVTSU-UHFFFAOYSA-N 2 1 344.503 2.001 20 30 EEEDMP C#CC[NH+](CCCNC(=O)C[N@H+](C)CC(C)(C)C)Cc1cccnc1 ZINC001230846408 1303497424 /nfs/dbraw/zinc/49/74/24/1303497424.db2.gz IMJSPIDGFDVTSU-UHFFFAOYSA-N 2 1 344.503 2.001 20 30 EEEDMP C#CC[N@@H+](CCCNC(=O)C[NH+](C)CC(C)(C)C)Cc1cccnc1 ZINC001230846408 1303497427 /nfs/dbraw/zinc/49/74/27/1303497427.db2.gz IMJSPIDGFDVTSU-UHFFFAOYSA-N 2 1 344.503 2.001 20 30 EEEDMP C#CC[N@H+](CCCNC(=O)C[NH+](C)CC(C)(C)C)Cc1cccnc1 ZINC001230846408 1303497430 /nfs/dbraw/zinc/49/74/30/1303497430.db2.gz IMJSPIDGFDVTSU-UHFFFAOYSA-N 2 1 344.503 2.001 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846337 1303497862 /nfs/dbraw/zinc/49/78/62/1303497862.db2.gz GCNJIFYADJHAJB-IEBWSBKVSA-N 2 1 344.503 2.164 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846337 1303497867 /nfs/dbraw/zinc/49/78/67/1303497867.db2.gz GCNJIFYADJHAJB-IEBWSBKVSA-N 2 1 344.503 2.164 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846337 1303497871 /nfs/dbraw/zinc/49/78/71/1303497871.db2.gz GCNJIFYADJHAJB-IEBWSBKVSA-N 2 1 344.503 2.164 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001111753976 1303842988 /nfs/dbraw/zinc/84/29/88/1303842988.db2.gz GEIXMMPDZYPKJF-ZWOKBUDYSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001111753976 1303842992 /nfs/dbraw/zinc/84/29/92/1303842992.db2.gz GEIXMMPDZYPKJF-ZWOKBUDYSA-N 2 1 342.487 2.391 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001111958768 1304108331 /nfs/dbraw/zinc/10/83/31/1304108331.db2.gz PWQVFQXIHIDKPE-IHPCNDPISA-N 2 1 331.504 2.409 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001111958768 1304108336 /nfs/dbraw/zinc/10/83/36/1304108336.db2.gz PWQVFQXIHIDKPE-IHPCNDPISA-N 2 1 331.504 2.409 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001111958768 1304108337 /nfs/dbraw/zinc/10/83/37/1304108337.db2.gz PWQVFQXIHIDKPE-IHPCNDPISA-N 2 1 331.504 2.409 20 30 EEEDMP C=CCCC[N@@H+]1CCc2onc(C(=O)N3CCC([NH+](C)C)CC3)c2C1 ZINC001277780003 1304397425 /nfs/dbraw/zinc/39/74/25/1304397425.db2.gz YNLSHVNJYHDMST-UHFFFAOYSA-N 2 1 346.475 2.165 20 30 EEEDMP C=CCCC[N@H+]1CCc2onc(C(=O)N3CCC([NH+](C)C)CC3)c2C1 ZINC001277780003 1304397429 /nfs/dbraw/zinc/39/74/29/1304397429.db2.gz YNLSHVNJYHDMST-UHFFFAOYSA-N 2 1 346.475 2.165 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C\Cl)C1 ZINC001112404205 1304525889 /nfs/dbraw/zinc/52/58/89/1304525889.db2.gz MIGBWDPVGVAQHD-YMJDHIGXSA-N 2 1 349.906 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C\Cl)C1 ZINC001112404205 1304525891 /nfs/dbraw/zinc/52/58/91/1304525891.db2.gz MIGBWDPVGVAQHD-YMJDHIGXSA-N 2 1 349.906 2.055 20 30 EEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)cc(C#N)c1 ZINC001237751219 1306076923 /nfs/dbraw/zinc/07/69/23/1306076923.db2.gz SPPIRQSITOATME-ZWKOTPCHSA-N 2 1 332.879 2.422 20 30 EEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)cc(C#N)c1 ZINC001237751219 1306076936 /nfs/dbraw/zinc/07/69/36/1306076936.db2.gz SPPIRQSITOATME-ZWKOTPCHSA-N 2 1 332.879 2.422 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246304290 1310277182 /nfs/dbraw/zinc/27/71/82/1310277182.db2.gz LVSXWBIAKWLFQX-IRXDYDNUSA-N 3 1 337.508 2.258 20 30 EEEDMP N#CC1(c2ccc(F)cc2)CCC([NH2+]CCC[NH2+]CCC[NH3+])CC1 ZINC001246456709 1310316080 /nfs/dbraw/zinc/31/60/80/1310316080.db2.gz LWLLZHMPVIDMPY-UHFFFAOYSA-N 3 1 332.467 2.448 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150299707 1316229807 /nfs/dbraw/zinc/22/98/07/1316229807.db2.gz RECFLDZWPLSHHX-ROUUACIJSA-N 2 1 339.524 2.280 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445758 1316829481 /nfs/dbraw/zinc/82/94/81/1316829481.db2.gz JGMUYPWHULBKES-QWFCFKBJSA-N 2 1 341.499 2.205 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153445758 1316829483 /nfs/dbraw/zinc/82/94/83/1316829483.db2.gz JGMUYPWHULBKES-QWFCFKBJSA-N 2 1 341.499 2.205 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153445758 1316829487 /nfs/dbraw/zinc/82/94/87/1316829487.db2.gz JGMUYPWHULBKES-QWFCFKBJSA-N 2 1 341.499 2.205 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374137 1317984324 /nfs/dbraw/zinc/98/43/24/1317984324.db2.gz KFGMGEIZKLXXHX-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374137 1317984327 /nfs/dbraw/zinc/98/43/27/1317984327.db2.gz KFGMGEIZKLXXHX-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374137 1317984332 /nfs/dbraw/zinc/98/43/32/1317984332.db2.gz KFGMGEIZKLXXHX-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157133162 1318428142 /nfs/dbraw/zinc/42/81/42/1318428142.db2.gz ZBZRGLOKRBMAKE-IEBWSBKVSA-N 2 1 347.503 2.319 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157133162 1318428152 /nfs/dbraw/zinc/42/81/52/1318428152.db2.gz ZBZRGLOKRBMAKE-IEBWSBKVSA-N 2 1 347.503 2.319 20 30 EEEDMP CC#CCN(C)C[C@H]1CCCCN1C(=O)Cc1cn2c(n1)CCCC2 ZINC001157981718 1318958592 /nfs/dbraw/zinc/95/85/92/1318958592.db2.gz HNHSCRSKZGYZLJ-GOSISDBHSA-N 2 1 342.487 2.098 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC001158030573 1318977734 /nfs/dbraw/zinc/97/77/34/1318977734.db2.gz UTTNBCCKKLMEJG-MOPGFXCFSA-N 2 1 340.471 2.029 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158723554 1319400703 /nfs/dbraw/zinc/40/07/03/1319400703.db2.gz CYDNTLYFQYFLDD-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001160198216 1320096502 /nfs/dbraw/zinc/09/65/02/1320096502.db2.gz XLJOIWHJDUQQFV-KRWDZBQOSA-N 2 1 349.425 2.318 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001160198216 1320096505 /nfs/dbraw/zinc/09/65/05/1320096505.db2.gz XLJOIWHJDUQQFV-KRWDZBQOSA-N 2 1 349.425 2.318 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCc2c1cccc2F ZINC001160209610 1320100133 /nfs/dbraw/zinc/10/01/33/1320100133.db2.gz SDUCWZUNOCFBPI-OALUTQOASA-N 2 1 343.446 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCc2c1cccc2F ZINC001160209610 1320100135 /nfs/dbraw/zinc/10/01/35/1320100135.db2.gz SDUCWZUNOCFBPI-OALUTQOASA-N 2 1 343.446 2.007 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360852 1320144655 /nfs/dbraw/zinc/14/46/55/1320144655.db2.gz XMCZQOGALALRGR-LJQANCHMSA-N 2 1 331.504 2.411 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360852 1320144657 /nfs/dbraw/zinc/14/46/57/1320144657.db2.gz XMCZQOGALALRGR-LJQANCHMSA-N 2 1 331.504 2.411 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360852 1320144660 /nfs/dbraw/zinc/14/46/60/1320144660.db2.gz XMCZQOGALALRGR-LJQANCHMSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705155 1320594416 /nfs/dbraw/zinc/59/44/16/1320594416.db2.gz MJLNBHQEEPULSH-RTBURBONSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001163001716 1321010231 /nfs/dbraw/zinc/01/02/31/1321010231.db2.gz LZVROGKTQGGQPX-KDURUIRLSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC/C=C\CC)CC1 ZINC001165545097 1321543426 /nfs/dbraw/zinc/54/34/26/1321543426.db2.gz CDFLWLDODVSWTM-XFHJGTJQSA-N 2 1 331.504 2.316 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC/C=C\CC)CC1 ZINC001165545097 1321543430 /nfs/dbraw/zinc/54/34/30/1321543430.db2.gz CDFLWLDODVSWTM-XFHJGTJQSA-N 2 1 331.504 2.316 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C12CCC2 ZINC001203426450 1321878779 /nfs/dbraw/zinc/87/87/79/1321878779.db2.gz KRQFLPNEBJGMPP-MOPGFXCFSA-N 2 1 341.499 2.364 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203816484 1321967817 /nfs/dbraw/zinc/96/78/17/1321967817.db2.gz XPUAHBPQAWRVHL-RTBURBONSA-N 2 1 339.483 2.159 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203816484 1321967819 /nfs/dbraw/zinc/96/78/19/1321967819.db2.gz XPUAHBPQAWRVHL-RTBURBONSA-N 2 1 339.483 2.159 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001206308011 1323451876 /nfs/dbraw/zinc/45/18/76/1323451876.db2.gz ULEXGGJFXSHRRP-UHFFFAOYSA-N 2 1 341.499 2.012 20 30 EEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001208604752 1324585475 /nfs/dbraw/zinc/58/54/75/1324585475.db2.gz SZGXIMHUQZRFQU-HKUYNNGSSA-N 2 1 335.492 2.439 20 30 EEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001208604752 1324585478 /nfs/dbraw/zinc/58/54/78/1324585478.db2.gz SZGXIMHUQZRFQU-HKUYNNGSSA-N 2 1 335.492 2.439 20 30 EEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001208604752 1324585482 /nfs/dbraw/zinc/58/54/82/1324585482.db2.gz SZGXIMHUQZRFQU-HKUYNNGSSA-N 2 1 335.492 2.439 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209278906 1324881302 /nfs/dbraw/zinc/88/13/02/1324881302.db2.gz SDZURKBPUZSWJS-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001210811104 1325445377 /nfs/dbraw/zinc/44/53/77/1325445377.db2.gz JAKNFJJLSNJYQW-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CCNC(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001325881811 1333983696 /nfs/dbraw/zinc/98/36/96/1333983696.db2.gz YPTXTMIQBRHLAQ-IHWFROFDSA-N 2 1 339.483 2.301 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001340207425 1337137837 /nfs/dbraw/zinc/13/78/37/1337137837.db2.gz PLEMRSMANAXJFX-SJORKVTESA-N 2 1 346.523 2.194 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001500280564 1342130538 /nfs/dbraw/zinc/13/05/38/1342130538.db2.gz OYVSPSJPQNRNOG-SFHVURJKSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001500280564 1342130539 /nfs/dbraw/zinc/13/05/39/1342130539.db2.gz OYVSPSJPQNRNOG-SFHVURJKSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001500280564 1342130540 /nfs/dbraw/zinc/13/05/40/1342130540.db2.gz OYVSPSJPQNRNOG-SFHVURJKSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001500280564 1342130541 /nfs/dbraw/zinc/13/05/41/1342130541.db2.gz OYVSPSJPQNRNOG-SFHVURJKSA-N 2 1 348.516 2.432 20 30 EEEDMP C#Cc1ccc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1 ZINC001574757364 1343697231 /nfs/dbraw/zinc/69/72/31/1343697231.db2.gz MYGGYOOIMKFHTN-LJQANCHMSA-N 2 1 349.482 2.180 20 30 EEEDMP C=CCC[NH2+][C@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953584 1369763670 /nfs/dbraw/zinc/76/36/70/1369763670.db2.gz QOMMMAOFYFKVMJ-QGZVFWFLSA-N 2 1 333.476 2.360 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC=C(C)C)C2)CC1 ZINC001072096341 1370606183 /nfs/dbraw/zinc/60/61/83/1370606183.db2.gz XTFUEZTUQOWHOW-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001377696426 1379452436 /nfs/dbraw/zinc/45/24/36/1379452436.db2.gz JGTMLIUYLFSAIW-HNNXBMFYSA-N 2 1 325.884 2.196 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001378905095 1380258792 /nfs/dbraw/zinc/25/87/92/1380258792.db2.gz PEFQAONIWCEWKQ-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001379231189 1380645486 /nfs/dbraw/zinc/64/54/86/1380645486.db2.gz ZPDMOVPGRNENIS-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccccc2C#N)C1 ZINC001380969150 1381471253 /nfs/dbraw/zinc/47/12/53/1381471253.db2.gz YXLFPIXVPXULEJ-QGZVFWFLSA-N 2 1 342.487 2.180 20 30 EEEDMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2ccccc2C#N)C1 ZINC001380969150 1381471254 /nfs/dbraw/zinc/47/12/54/1381471254.db2.gz YXLFPIXVPXULEJ-QGZVFWFLSA-N 2 1 342.487 2.180 20 30 EEEDMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2ccccc2C#N)C1 ZINC001380969150 1381471255 /nfs/dbraw/zinc/47/12/55/1381471255.db2.gz YXLFPIXVPXULEJ-QGZVFWFLSA-N 2 1 342.487 2.180 20 30 EEEDMP CC#CC[N@@H+](CCCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001752268818 1406251637 /nfs/dbraw/zinc/25/16/37/1406251637.db2.gz GYIOMKJNSDKEFC-UHFFFAOYSA-N 2 1 333.520 2.493 20 30 EEEDMP CCCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1ccccc1C#N ZINC001391131444 1389060516 /nfs/dbraw/zinc/06/05/16/1389060516.db2.gz AMJCKADLZWOOPE-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1ccccc1C#N ZINC001391131444 1389060522 /nfs/dbraw/zinc/06/05/22/1389060522.db2.gz AMJCKADLZWOOPE-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1ccccc1C#N ZINC001391131444 1389060525 /nfs/dbraw/zinc/06/05/25/1389060525.db2.gz AMJCKADLZWOOPE-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1ccccc1C#N ZINC001391131444 1389060535 /nfs/dbraw/zinc/06/05/35/1389060535.db2.gz AMJCKADLZWOOPE-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001754313426 1406889193 /nfs/dbraw/zinc/88/91/93/1406889193.db2.gz VYEUCSMDJNFBNF-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001754313426 1406889197 /nfs/dbraw/zinc/88/91/97/1406889197.db2.gz VYEUCSMDJNFBNF-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001754313426 1406889202 /nfs/dbraw/zinc/88/92/02/1406889202.db2.gz VYEUCSMDJNFBNF-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001754313426 1406889206 /nfs/dbraw/zinc/88/92/06/1406889206.db2.gz VYEUCSMDJNFBNF-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001402600962 1398079136 /nfs/dbraw/zinc/07/91/36/1398079136.db2.gz AEKGJBJZPBKJRD-KGLIPLIRSA-N 2 1 346.313 2.206 20 30 EEEDMP C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001402600962 1398079142 /nfs/dbraw/zinc/07/91/42/1398079142.db2.gz AEKGJBJZPBKJRD-KGLIPLIRSA-N 2 1 346.313 2.206 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001403395415 1399791364 /nfs/dbraw/zinc/79/13/64/1399791364.db2.gz JHLZAFNYQLNDBK-HNNXBMFYSA-N 2 1 345.890 2.343 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001403395415 1399791368 /nfs/dbraw/zinc/79/13/68/1399791368.db2.gz JHLZAFNYQLNDBK-HNNXBMFYSA-N 2 1 345.890 2.343 20 30 EEEDMP C=CCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)CO2 ZINC001755064685 1407073240 /nfs/dbraw/zinc/07/32/40/1407073240.db2.gz VRCHTIWXAUDBQD-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001755064685 1407073244 /nfs/dbraw/zinc/07/32/44/1407073244.db2.gz VRCHTIWXAUDBQD-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)Cc1cccc(C#N)c1 ZINC001422565304 1400025208 /nfs/dbraw/zinc/02/52/08/1400025208.db2.gz SDQSHZIOHZFEOD-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001422565304 1400025220 /nfs/dbraw/zinc/02/52/20/1400025220.db2.gz SDQSHZIOHZFEOD-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001422565304 1400025223 /nfs/dbraw/zinc/02/52/23/1400025223.db2.gz SDQSHZIOHZFEOD-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)cc(C#N)n2)c2c1CC[NH2+]C2 ZINC001164683252 719616302 /nfs/dbraw/zinc/61/63/02/719616302.db2.gz HXYHFJICDRPIPE-UHFFFAOYSA-N 2 1 344.850 2.278 20 30 EEEDMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)cc(C#N)n2)c2c1CC[NH2+]C2 ZINC001164683252 719616312 /nfs/dbraw/zinc/61/63/12/719616312.db2.gz HXYHFJICDRPIPE-UHFFFAOYSA-N 2 1 344.850 2.278 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942444865 782441898 /nfs/dbraw/zinc/44/18/98/782441898.db2.gz QRNJBCIALURAFS-RDJZCZTQSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001075390938 757892938 /nfs/dbraw/zinc/89/29/38/757892938.db2.gz RAZPJPNDXHZZPS-PKOBYXMFSA-N 2 1 349.519 2.033 20 30 EEEDMP CCCCCCC[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758516 765007583 /nfs/dbraw/zinc/00/75/83/765007583.db2.gz AVIWINIXNPVHAM-UHFFFAOYSA-N 2 1 339.524 2.164 20 30 EEEDMP C=CCS(=O)(=O)CC[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000783532302 782575369 /nfs/dbraw/zinc/57/53/69/782575369.db2.gz OYAHJWJECRSLJL-RDJZCZTQSA-N 2 1 328.522 2.220 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972144 782671553 /nfs/dbraw/zinc/67/15/53/782671553.db2.gz OFSJMXJWGXTBHH-YDZRNGNQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972144 782671558 /nfs/dbraw/zinc/67/15/58/782671558.db2.gz OFSJMXJWGXTBHH-YDZRNGNQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972144 782671560 /nfs/dbraw/zinc/67/15/60/782671560.db2.gz OFSJMXJWGXTBHH-YDZRNGNQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212651 783065759 /nfs/dbraw/zinc/06/57/59/783065759.db2.gz GCYNCNCVJMTJCY-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]2C1 ZINC001088217545 783072902 /nfs/dbraw/zinc/07/29/02/783072902.db2.gz MEXQXBPVSBRPNX-SJORKVTESA-N 2 1 343.471 2.149 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000979997886 773685638 /nfs/dbraw/zinc/68/56/38/773685638.db2.gz GACOWJLIFJPAGM-FHWLQOOXSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(=C)C)C[C@@H]3C2)CC1 ZINC000980255831 774198856 /nfs/dbraw/zinc/19/88/56/774198856.db2.gz PNYWIDFGYAZWGA-SLFFLAALSA-N 2 1 343.515 2.124 20 30 EEEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732201 774794024 /nfs/dbraw/zinc/79/40/24/774794024.db2.gz OZEJZQWOFVKFTG-CABCVRRESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089732201 774794028 /nfs/dbraw/zinc/79/40/28/774794028.db2.gz OZEJZQWOFVKFTG-CABCVRRESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089732201 774794032 /nfs/dbraw/zinc/79/40/32/774794032.db2.gz OZEJZQWOFVKFTG-CABCVRRESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089732201 774794037 /nfs/dbraw/zinc/79/40/37/774794037.db2.gz OZEJZQWOFVKFTG-CABCVRRESA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000947722020 775836687 /nfs/dbraw/zinc/83/66/87/775836687.db2.gz CVCXKWGHWHNJNE-LSDHHAIUSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000947722020 775836696 /nfs/dbraw/zinc/83/66/96/775836696.db2.gz CVCXKWGHWHNJNE-LSDHHAIUSA-N 2 1 332.448 2.039 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000981232378 776879151 /nfs/dbraw/zinc/87/91/51/776879151.db2.gz ZNFUNRRFNBGHFU-JKSUJKDBSA-N 2 1 330.476 2.355 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028094351 777424859 /nfs/dbraw/zinc/42/48/59/777424859.db2.gz XYCFBVJLGWTSHB-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094351 777424862 /nfs/dbraw/zinc/42/48/62/777424862.db2.gz XYCFBVJLGWTSHB-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094351 777424866 /nfs/dbraw/zinc/42/48/66/777424866.db2.gz XYCFBVJLGWTSHB-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981814248 778241430 /nfs/dbraw/zinc/24/14/30/778241430.db2.gz ZNQOSCNPILEKQP-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981814248 778241434 /nfs/dbraw/zinc/24/14/34/778241434.db2.gz ZNQOSCNPILEKQP-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981814248 778241438 /nfs/dbraw/zinc/24/14/38/778241438.db2.gz ZNQOSCNPILEKQP-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163812 779183447 /nfs/dbraw/zinc/18/34/47/779183447.db2.gz VEOQKFWHGJCMGP-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001028226248 779397545 /nfs/dbraw/zinc/39/75/45/779397545.db2.gz IPKCTBSYUGXIJN-KRWDZBQOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226248 779397551 /nfs/dbraw/zinc/39/75/51/779397551.db2.gz IPKCTBSYUGXIJN-KRWDZBQOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226248 779397553 /nfs/dbraw/zinc/39/75/53/779397553.db2.gz IPKCTBSYUGXIJN-KRWDZBQOSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982403654 780013497 /nfs/dbraw/zinc/01/34/97/780013497.db2.gz XWMUNJXUWMRIPM-NRSPTQNISA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087459919 780926775 /nfs/dbraw/zinc/92/67/75/780926775.db2.gz FIYQICUZEYUEEJ-BHIYHBOVSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087459919 780926777 /nfs/dbraw/zinc/92/67/77/780926777.db2.gz FIYQICUZEYUEEJ-BHIYHBOVSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087459919 780926781 /nfs/dbraw/zinc/92/67/81/780926781.db2.gz FIYQICUZEYUEEJ-BHIYHBOVSA-N 2 1 345.462 2.238 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001203438006 781602242 /nfs/dbraw/zinc/60/22/42/781602242.db2.gz ZIFPMZFUYKXNMJ-UHFFFAOYSA-N 2 1 345.462 2.100 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001135436983 783766629 /nfs/dbraw/zinc/76/66/29/783766629.db2.gz IYLQWWKAIYBKOP-UHFFFAOYSA-N 2 1 336.505 2.338 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001035197113 784030350 /nfs/dbraw/zinc/03/03/50/784030350.db2.gz ILYCSJRTVZDKDF-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)CC2 ZINC001035197113 784030356 /nfs/dbraw/zinc/03/03/56/784030356.db2.gz ILYCSJRTVZDKDF-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)CC2 ZINC001035197113 784030359 /nfs/dbraw/zinc/03/03/59/784030359.db2.gz ILYCSJRTVZDKDF-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035193803 784083332 /nfs/dbraw/zinc/08/33/32/784083332.db2.gz PDDLDEZPWALNQP-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193803 784083336 /nfs/dbraw/zinc/08/33/36/784083336.db2.gz PDDLDEZPWALNQP-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193803 784083340 /nfs/dbraw/zinc/08/33/40/784083340.db2.gz PDDLDEZPWALNQP-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135858206 784641568 /nfs/dbraw/zinc/64/15/68/784641568.db2.gz UZJOHPGAEVTSPV-ZIAGYGMSSA-N 2 1 336.505 2.334 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882902 784699946 /nfs/dbraw/zinc/69/99/46/784699946.db2.gz VMWXJDJDVUDBKK-QWHCGFSZSA-N 2 1 334.302 2.110 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135977548 784927919 /nfs/dbraw/zinc/92/79/19/784927919.db2.gz VGSBEQUKPZDCEB-ZIAGYGMSSA-N 2 1 336.505 2.334 20 30 EEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997785812 791081771 /nfs/dbraw/zinc/08/17/71/791081771.db2.gz FDSHGCHHYBOGPP-HKUYNNGSSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000818606067 785320743 /nfs/dbraw/zinc/32/07/43/785320743.db2.gz BYBRUTSCETTXCT-IBGZPJMESA-N 2 1 327.472 2.112 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000818606067 785320746 /nfs/dbraw/zinc/32/07/46/785320746.db2.gz BYBRUTSCETTXCT-IBGZPJMESA-N 2 1 327.472 2.112 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000818606067 785320757 /nfs/dbraw/zinc/32/07/57/785320757.db2.gz BYBRUTSCETTXCT-IBGZPJMESA-N 2 1 327.472 2.112 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000996686521 787163690 /nfs/dbraw/zinc/16/36/90/787163690.db2.gz UMZKXNGEWOMNMI-IBGZPJMESA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000996686521 787163695 /nfs/dbraw/zinc/16/36/95/787163695.db2.gz UMZKXNGEWOMNMI-IBGZPJMESA-N 2 1 343.446 2.004 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442786 787253823 /nfs/dbraw/zinc/25/38/23/787253823.db2.gz PINLZARHBXDKHJ-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442786 787253833 /nfs/dbraw/zinc/25/38/33/787253833.db2.gz PINLZARHBXDKHJ-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442786 787253840 /nfs/dbraw/zinc/25/38/40/787253840.db2.gz PINLZARHBXDKHJ-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCN(C)c3cc[nH+]cc3)CCC[C@@H]12 ZINC001107457895 787288751 /nfs/dbraw/zinc/28/87/51/787288751.db2.gz VTGVAHBTKAGJRF-UYAOXDASSA-N 2 1 342.487 2.455 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001127066439 788306166 /nfs/dbraw/zinc/30/61/66/788306166.db2.gz OOTBRBXDTSJYEM-SFHVURJKSA-N 2 1 347.890 2.270 20 30 EEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997028364 788493120 /nfs/dbraw/zinc/49/31/20/788493120.db2.gz BHHVWIDRHGDGHG-UXHICEINSA-N 2 1 341.499 2.489 20 30 EEEDMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])N1CCSCC1)C1CC1 ZINC000187055906 788535324 /nfs/dbraw/zinc/53/53/24/788535324.db2.gz HHCSOWJRQPKUFG-QGZVFWFLSA-N 2 1 332.517 2.261 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997277999 789521919 /nfs/dbraw/zinc/52/19/19/789521919.db2.gz CMOVZXGGRBWEPT-MJGOQNOKSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000948825943 791309631 /nfs/dbraw/zinc/30/96/31/791309631.db2.gz ZKAZHXSGZMYESC-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001146592807 791362107 /nfs/dbraw/zinc/36/21/07/791362107.db2.gz LMKAAPXJRZFBCD-CVEARBPZSA-N 2 1 330.476 2.271 20 30 EEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)C1 ZINC001147829275 791986356 /nfs/dbraw/zinc/98/63/56/791986356.db2.gz HJYFMSSDQODGCY-UHFFFAOYSA-N 2 1 328.460 2.018 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738434 792600800 /nfs/dbraw/zinc/60/08/00/792600800.db2.gz XTYFRPNDROMKSV-LMNJBCLMSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738434 792600810 /nfs/dbraw/zinc/60/08/10/792600810.db2.gz XTYFRPNDROMKSV-LMNJBCLMSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738434 792600815 /nfs/dbraw/zinc/60/08/15/792600815.db2.gz XTYFRPNDROMKSV-LMNJBCLMSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952442 793085879 /nfs/dbraw/zinc/08/58/79/793085879.db2.gz IRKQFXAOVMJXNU-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091777580 793287470 /nfs/dbraw/zinc/28/74/70/793287470.db2.gz ZHZXOCHFAMIRGV-MJGOQNOKSA-N 2 1 331.504 2.219 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092206539 793718271 /nfs/dbraw/zinc/71/82/71/793718271.db2.gz ZOCFNHJTSFPJDG-BEFAXECRSA-N 2 1 328.460 2.118 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092206539 793718279 /nfs/dbraw/zinc/71/82/79/793718279.db2.gz ZOCFNHJTSFPJDG-BEFAXECRSA-N 2 1 328.460 2.118 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cnn(-c4ccncc4)c3)CCC[C@@H]12 ZINC000992353155 793776719 /nfs/dbraw/zinc/77/67/19/793776719.db2.gz RHHDJNFWBIDGHN-QUCCMNQESA-N 2 1 349.438 2.017 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC000992353155 793776734 /nfs/dbraw/zinc/77/67/34/793776734.db2.gz RHHDJNFWBIDGHN-QUCCMNQESA-N 2 1 349.438 2.017 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-n2ccnc2)ccn1 ZINC001032712909 794309592 /nfs/dbraw/zinc/30/95/92/794309592.db2.gz OQKTXICEPRJILV-IRXDYDNUSA-N 2 1 337.427 2.132 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992503254 794430651 /nfs/dbraw/zinc/43/06/51/794430651.db2.gz DSNQVMVMYMLKJC-PZJWPPBQSA-N 2 1 339.483 2.498 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCC(C)C)CC3)CC1 ZINC000992502243 794435983 /nfs/dbraw/zinc/43/59/83/794435983.db2.gz BBEULVHARCPPND-TZIWHRDSSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001036737131 794694760 /nfs/dbraw/zinc/69/47/60/794694760.db2.gz MDODZAZGXOHBHW-GDBMZVCRSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036737131 794694764 /nfs/dbraw/zinc/69/47/64/794694764.db2.gz MDODZAZGXOHBHW-GDBMZVCRSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036737131 794694768 /nfs/dbraw/zinc/69/47/68/794694768.db2.gz MDODZAZGXOHBHW-GDBMZVCRSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107993811 795242137 /nfs/dbraw/zinc/24/21/37/795242137.db2.gz YVDGEDIKQAGXSC-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107993811 795242143 /nfs/dbraw/zinc/24/21/43/795242143.db2.gz YVDGEDIKQAGXSC-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107993811 795242146 /nfs/dbraw/zinc/24/21/46/795242146.db2.gz YVDGEDIKQAGXSC-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107993811 795242153 /nfs/dbraw/zinc/24/21/53/795242153.db2.gz YVDGEDIKQAGXSC-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NN2CC[NH+](C)CC2)c1C ZINC000914693166 795344566 /nfs/dbraw/zinc/34/45/66/795344566.db2.gz NNPGJPTVQXRSIY-IBGZPJMESA-N 2 1 331.508 2.171 20 30 EEEDMP CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NN2CC[NH+](C)CC2)c1C ZINC000914693166 795344577 /nfs/dbraw/zinc/34/45/77/795344577.db2.gz NNPGJPTVQXRSIY-IBGZPJMESA-N 2 1 331.508 2.171 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCF)CC1 ZINC001110147102 795384468 /nfs/dbraw/zinc/38/44/68/795384468.db2.gz KNAHZVSLMGRCKU-QYZOEREBSA-N 2 1 349.494 2.193 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001093558896 795414705 /nfs/dbraw/zinc/41/47/05/795414705.db2.gz DRKGJBJOXFHJTL-UHFFFAOYSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352189 795434890 /nfs/dbraw/zinc/43/48/90/795434890.db2.gz HVTKBSBHBKDQFG-BZUAXINKSA-N 2 1 348.491 2.389 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036853967 795501021 /nfs/dbraw/zinc/50/10/21/795501021.db2.gz CBGAWVHNAWWOCY-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC=C)CC2 ZINC001094436283 796226840 /nfs/dbraw/zinc/22/68/40/796226840.db2.gz HYXBWCQRCWBMKC-NLWGTHIKSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC=C)CC2 ZINC001094436283 796226844 /nfs/dbraw/zinc/22/68/44/796226844.db2.gz HYXBWCQRCWBMKC-NLWGTHIKSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC=C)CC2 ZINC001094436283 796226847 /nfs/dbraw/zinc/22/68/47/796226847.db2.gz HYXBWCQRCWBMKC-NLWGTHIKSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC=C)CC2 ZINC001094436283 796226852 /nfs/dbraw/zinc/22/68/52/796226852.db2.gz HYXBWCQRCWBMKC-NLWGTHIKSA-N 2 1 329.488 2.021 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC001094509852 796337145 /nfs/dbraw/zinc/33/71/45/796337145.db2.gz NXZTVFDJIZECSK-ILZDJORESA-N 2 1 342.487 2.301 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC001094509852 796337150 /nfs/dbraw/zinc/33/71/50/796337150.db2.gz NXZTVFDJIZECSK-ILZDJORESA-N 2 1 342.487 2.301 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC001094537300 796369832 /nfs/dbraw/zinc/36/98/32/796369832.db2.gz WCHFKVAYJSCNDB-TZIWHRDSSA-N 2 1 339.483 2.356 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112397117 796574332 /nfs/dbraw/zinc/57/43/32/796574332.db2.gz SYLCYSAHDLAOJR-NSHGMRRFSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993818428 797047280 /nfs/dbraw/zinc/04/72/80/797047280.db2.gz FTIJAGRTJPSBKW-VQIMIIECSA-N 2 1 327.472 2.007 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001868992 797286891 /nfs/dbraw/zinc/28/68/91/797286891.db2.gz GNUDHYBVTYMVOF-UXHICEINSA-N 2 1 341.499 2.346 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001106868829 797559783 /nfs/dbraw/zinc/55/97/83/797559783.db2.gz NOOSHCNESVOKIL-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(=C)C)[C@@H]2C)CC1 ZINC000994492798 798090335 /nfs/dbraw/zinc/09/03/35/798090335.db2.gz BRELNFLENYIEGZ-IEBWSBKVSA-N 2 1 331.504 2.267 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175730646 798208887 /nfs/dbraw/zinc/20/88/87/798208887.db2.gz NULNNPBWKMHJIY-ZWKOTPCHSA-N 2 1 339.524 2.328 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001084852221 798502224 /nfs/dbraw/zinc/50/22/24/798502224.db2.gz NDZBVCJMBJJMKL-IEBWSBKVSA-N 2 1 327.472 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084853915 798505808 /nfs/dbraw/zinc/50/58/08/798505808.db2.gz PNRJVCVAAAZYHT-QRVBRYPASA-N 2 1 327.472 2.398 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084853915 798505810 /nfs/dbraw/zinc/50/58/10/798505810.db2.gz PNRJVCVAAAZYHT-QRVBRYPASA-N 2 1 327.472 2.398 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001176986264 798675403 /nfs/dbraw/zinc/67/54/03/798675403.db2.gz JBQOBFZZNLFJRM-SFHVURJKSA-N 2 1 346.450 2.168 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001180259387 800335984 /nfs/dbraw/zinc/33/59/84/800335984.db2.gz FCWKNCGZHJMOTG-OAHLLOKOSA-N 2 1 348.516 2.338 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC(C)(C)C)CC1 ZINC001085987054 801839609 /nfs/dbraw/zinc/83/96/09/801839609.db2.gz SGOILYIBHWLZIY-SFHVURJKSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCCC2)CC1 ZINC001085984468 801849327 /nfs/dbraw/zinc/84/93/27/801849327.db2.gz DYTRIVXQFDVUAF-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001184702129 802137451 /nfs/dbraw/zinc/13/74/51/802137451.db2.gz UFRYVAUSJLOBBC-HZPDHXFCSA-N 2 1 348.491 2.390 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001004478685 802181595 /nfs/dbraw/zinc/18/15/95/802181595.db2.gz XIFBYQIDIDBVHE-IBGZPJMESA-N 2 1 336.439 2.284 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001004549333 802352129 /nfs/dbraw/zinc/35/21/29/802352129.db2.gz XHBXTKVIKTXQHC-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004549333 802352139 /nfs/dbraw/zinc/35/21/39/802352139.db2.gz XHBXTKVIKTXQHC-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004549333 802352147 /nfs/dbraw/zinc/35/21/47/802352147.db2.gz XHBXTKVIKTXQHC-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4nccn43)CC[C@@H]2C1 ZINC000946675519 802791601 /nfs/dbraw/zinc/79/16/01/802791601.db2.gz UOPSAXDIUCBIQY-CALCHBBNSA-N 2 1 336.439 2.142 20 30 EEEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086588762 808828429 /nfs/dbraw/zinc/82/84/29/808828429.db2.gz MYVSFUKZXZVIKL-VNTMZGSJSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001086588762 808828433 /nfs/dbraw/zinc/82/84/33/808828433.db2.gz MYVSFUKZXZVIKL-VNTMZGSJSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001086588762 808828438 /nfs/dbraw/zinc/82/84/38/808828438.db2.gz MYVSFUKZXZVIKL-VNTMZGSJSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086589257 808837778 /nfs/dbraw/zinc/83/77/78/808837778.db2.gz PLWWLDLOYFTBRZ-OQIJWPOYSA-N 2 1 327.472 2.097 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001086589257 808837783 /nfs/dbraw/zinc/83/77/83/808837783.db2.gz PLWWLDLOYFTBRZ-OQIJWPOYSA-N 2 1 327.472 2.097 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001086589257 808837788 /nfs/dbraw/zinc/83/77/88/808837788.db2.gz PLWWLDLOYFTBRZ-OQIJWPOYSA-N 2 1 327.472 2.097 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130399162 811610539 /nfs/dbraw/zinc/61/05/39/811610539.db2.gz OOTDORQRQCRUGF-DOTOQJQBSA-N 2 1 347.507 2.122 20 30 EEEDMP C=CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[N@H+](C)CCC)C1 ZINC001130447164 811654182 /nfs/dbraw/zinc/65/41/82/811654182.db2.gz XKXGPSONZJRRNU-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CCC)C1 ZINC001130447164 811654188 /nfs/dbraw/zinc/65/41/88/811654188.db2.gz XKXGPSONZJRRNU-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CCC)C1 ZINC001130447164 811654196 /nfs/dbraw/zinc/65/41/96/811654196.db2.gz XKXGPSONZJRRNU-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001436847811 1088488037 /nfs/dbraw/zinc/48/80/37/1088488037.db2.gz WTHHXANLZOINFM-HNNXBMFYSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001438753876 1091315305 /nfs/dbraw/zinc/31/53/05/1091315305.db2.gz NNWVOMQUHWXGBK-JKSUJKDBSA-N 2 1 327.900 2.488 20 30 EEEDMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001441015623 1094295387 /nfs/dbraw/zinc/29/53/87/1094295387.db2.gz APTKAUQPPPQXAA-KRWDZBQOSA-N 2 1 342.487 2.371 20 30 EEEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000447534238 276922509 /nfs/dbraw/zinc/92/25/09/276922509.db2.gz VSIGDUGJFDIJSC-IEBWSBKVSA-N 2 1 340.471 2.246 20 30 EEEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000130364878 462752248 /nfs/dbraw/zinc/75/22/48/462752248.db2.gz FKECGSGCHILYAE-GOSISDBHSA-N 2 1 328.456 2.289 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000068226276 463107333 /nfs/dbraw/zinc/10/73/33/463107333.db2.gz OJRUQNIGNPUOSH-UHFFFAOYSA-N 2 1 327.472 2.100 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(SC)cc2)CC1 ZINC000579582663 468378928 /nfs/dbraw/zinc/37/89/28/468378928.db2.gz JPWGBNGUYFJYRB-MRXNPFEDSA-N 2 1 336.501 2.388 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000290869361 464135363 /nfs/dbraw/zinc/13/53/63/464135363.db2.gz AUNAAFXONKRCAV-JKSUJKDBSA-N 2 1 347.482 2.041 20 30 EEEDMP CC1CCN(C(=[NH2+])NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190527987 464668637 /nfs/dbraw/zinc/66/86/37/464668637.db2.gz DJIKNOGFIJDABO-IBGZPJMESA-N 2 1 344.503 2.324 20 30 EEEDMP C=C(C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000282501690 464842081 /nfs/dbraw/zinc/84/20/81/464842081.db2.gz NOYYSARJPZTXTM-SFHVURJKSA-N 2 1 337.414 2.336 20 30 EEEDMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000330017618 465507624 /nfs/dbraw/zinc/50/76/24/465507624.db2.gz RKODBQYEEWHORB-UHFFFAOYSA-N 2 1 342.447 2.179 20 30 EEEDMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCCN1CC=C(C)CC1 ZINC000330017618 465507629 /nfs/dbraw/zinc/50/76/29/465507629.db2.gz RKODBQYEEWHORB-UHFFFAOYSA-N 2 1 342.447 2.179 20 30 EEEDMP CC(C)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000338232460 465924259 /nfs/dbraw/zinc/92/42/59/465924259.db2.gz DMCFWHAGYXTBBP-UHFFFAOYSA-N 2 1 342.487 2.180 20 30 EEEDMP CC(C)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000338232460 465924266 /nfs/dbraw/zinc/92/42/66/465924266.db2.gz DMCFWHAGYXTBBP-UHFFFAOYSA-N 2 1 342.487 2.180 20 30 EEEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(OCCCC#N)c1 ZINC000349318976 466063101 /nfs/dbraw/zinc/06/31/01/466063101.db2.gz SIMFXCFIMKIMMH-UHFFFAOYSA-N 2 1 344.503 2.438 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000340962796 466470239 /nfs/dbraw/zinc/47/02/39/466470239.db2.gz SVIOCGXGGLNDLF-FGTMMUONSA-N 2 1 336.524 2.467 20 30 EEEDMP C[C@@H]1C[C@H](CCNC(=O)[C@H]([NH3+])CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000424176385 466996906 /nfs/dbraw/zinc/99/69/06/466996906.db2.gz RGNNTEVUVWMTRV-NZSAHSFTSA-N 2 1 342.487 2.424 20 30 EEEDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000566113445 468144751 /nfs/dbraw/zinc/14/47/51/468144751.db2.gz ZLFIQMSZARVLCZ-RTBURBONSA-N 2 1 345.487 2.060 20 30 EEEDMP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844392 469112470 /nfs/dbraw/zinc/11/24/70/469112470.db2.gz CYKMKTHDUZZNGM-MRXNPFEDSA-N 2 1 349.438 2.493 20 30 EEEDMP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844392 469112475 /nfs/dbraw/zinc/11/24/75/469112475.db2.gz CYKMKTHDUZZNGM-MRXNPFEDSA-N 2 1 349.438 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000730099040 576714973 /nfs/dbraw/zinc/71/49/73/576714973.db2.gz XJQBHMODYHZCDZ-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000730099040 576714975 /nfs/dbraw/zinc/71/49/75/576714975.db2.gz XJQBHMODYHZCDZ-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411600 577720825 /nfs/dbraw/zinc/72/08/25/577720825.db2.gz AQRKMFGDLPNTEX-RTBURBONSA-N 2 1 331.460 2.024 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682543 676338399 /nfs/dbraw/zinc/33/83/99/676338399.db2.gz RHAIRVWNMVYGLA-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021692302 676350368 /nfs/dbraw/zinc/35/03/68/676350368.db2.gz SZXYXRJKTAASGF-PMACEKPBSA-N 2 1 339.483 2.308 20 30 EEEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001022202322 676727795 /nfs/dbraw/zinc/72/77/95/676727795.db2.gz WQFLBCRZCRNULO-FGTMMUONSA-N 2 1 349.438 2.069 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001023125715 679135012 /nfs/dbraw/zinc/13/50/12/679135012.db2.gz VYXRDONZPWBCJG-FDCRZUCXSA-N 2 1 340.471 2.168 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411821 679296194 /nfs/dbraw/zinc/29/61/94/679296194.db2.gz JQXMNGFIYXXLDG-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001023411821 679296195 /nfs/dbraw/zinc/29/61/95/679296195.db2.gz JQXMNGFIYXXLDG-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001023411821 679296197 /nfs/dbraw/zinc/29/61/97/679296197.db2.gz JQXMNGFIYXXLDG-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001023671965 679467709 /nfs/dbraw/zinc/46/77/09/679467709.db2.gz PXYAGQDYJZLFBA-INIZCTEOSA-N 2 1 339.443 2.285 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001023671965 679467712 /nfs/dbraw/zinc/46/77/12/679467712.db2.gz PXYAGQDYJZLFBA-INIZCTEOSA-N 2 1 339.443 2.285 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001023671965 679467714 /nfs/dbraw/zinc/46/77/14/679467714.db2.gz PXYAGQDYJZLFBA-INIZCTEOSA-N 2 1 339.443 2.285 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023761775 679566693 /nfs/dbraw/zinc/56/66/93/679566693.db2.gz JCTPGUGTHSFMKC-CVEARBPZSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023761775 679566695 /nfs/dbraw/zinc/56/66/95/679566695.db2.gz JCTPGUGTHSFMKC-CVEARBPZSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761775 679566697 /nfs/dbraw/zinc/56/66/97/679566697.db2.gz JCTPGUGTHSFMKC-CVEARBPZSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761775 679566699 /nfs/dbraw/zinc/56/66/99/679566699.db2.gz JCTPGUGTHSFMKC-CVEARBPZSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001024516778 680022255 /nfs/dbraw/zinc/02/22/55/680022255.db2.gz NPKKWZDGFSXFPS-CVEARBPZSA-N 2 1 330.476 2.370 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001024516778 680022259 /nfs/dbraw/zinc/02/22/59/680022259.db2.gz NPKKWZDGFSXFPS-CVEARBPZSA-N 2 1 330.476 2.370 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982833840 681358362 /nfs/dbraw/zinc/35/83/62/681358362.db2.gz QLRDYLAEBZHBDY-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982833840 681358367 /nfs/dbraw/zinc/35/83/67/681358367.db2.gz QLRDYLAEBZHBDY-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982833840 681358371 /nfs/dbraw/zinc/35/83/71/681358371.db2.gz QLRDYLAEBZHBDY-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001024801247 681453409 /nfs/dbraw/zinc/45/34/09/681453409.db2.gz LNMKPDUCBQSIEF-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001024801247 681453412 /nfs/dbraw/zinc/45/34/12/681453412.db2.gz LNMKPDUCBQSIEF-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001024801247 681453416 /nfs/dbraw/zinc/45/34/16/681453416.db2.gz LNMKPDUCBQSIEF-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001024801247 681453419 /nfs/dbraw/zinc/45/34/19/681453419.db2.gz LNMKPDUCBQSIEF-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCC2CC2)CC1 ZINC001024813342 681466442 /nfs/dbraw/zinc/46/64/42/681466442.db2.gz ZQGGXGJUUSFOFJ-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623690 681817686 /nfs/dbraw/zinc/81/76/86/681817686.db2.gz LGVWNSLCJMSYNT-YSIASYRMSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623690 681817691 /nfs/dbraw/zinc/81/76/91/681817691.db2.gz LGVWNSLCJMSYNT-YSIASYRMSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623690 681817697 /nfs/dbraw/zinc/81/76/97/681817697.db2.gz LGVWNSLCJMSYNT-YSIASYRMSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453370 682793866 /nfs/dbraw/zinc/79/38/66/682793866.db2.gz QSHNQEHOVKURCU-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCC=C)C2)CC1 ZINC001025630811 683168696 /nfs/dbraw/zinc/16/86/96/683168696.db2.gz WSLBGJWGIAFVOT-HKUYNNGSSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001025630732 683168825 /nfs/dbraw/zinc/16/88/25/683168825.db2.gz VKHULFCFKQSWDM-PXNSSMCTSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC000992704642 683282872 /nfs/dbraw/zinc/28/28/72/683282872.db2.gz CHTJSYCYXONFOL-HYVNUMGLSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001026550667 684735573 /nfs/dbraw/zinc/73/55/73/684735573.db2.gz SEKCJEGBLBQKGJ-GTPINHCMSA-N 2 1 330.476 2.347 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(OC)cc1 ZINC000303974529 686961841 /nfs/dbraw/zinc/96/18/41/686961841.db2.gz HYVSYZDPZQXTEA-MRXNPFEDSA-N 2 1 332.492 2.361 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCc3cnc(C)n3C2)CC1 ZINC000985602595 687299056 /nfs/dbraw/zinc/29/90/56/687299056.db2.gz GDXITZBZSIOSDO-INIZCTEOSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000985602595 687299057 /nfs/dbraw/zinc/29/90/57/687299057.db2.gz GDXITZBZSIOSDO-INIZCTEOSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000985602595 687299059 /nfs/dbraw/zinc/29/90/59/687299059.db2.gz GDXITZBZSIOSDO-INIZCTEOSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC000979120840 694199105 /nfs/dbraw/zinc/19/91/05/694199105.db2.gz UMRLULDTOORAOY-OSYLJGHBSA-N 2 1 331.460 2.215 20 30 EEEDMP CC[N@@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001266408734 1176496809 /nfs/dbraw/zinc/49/68/09/1176496809.db2.gz RDZKURMMFIXHHD-GOSISDBHSA-N 2 1 347.890 2.224 20 30 EEEDMP CC[N@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001266408734 1176496812 /nfs/dbraw/zinc/49/68/12/1176496812.db2.gz RDZKURMMFIXHHD-GOSISDBHSA-N 2 1 347.890 2.224 20 30 EEEDMP CC[NH+](CC#Cc1cccc(Cl)c1)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266408734 1176496813 /nfs/dbraw/zinc/49/68/13/1176496813.db2.gz RDZKURMMFIXHHD-GOSISDBHSA-N 2 1 347.890 2.224 20 30 EEEDMP CC[NH+](CC#Cc1cccc(Cl)c1)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001266408734 1176496820 /nfs/dbraw/zinc/49/68/20/1176496820.db2.gz RDZKURMMFIXHHD-GOSISDBHSA-N 2 1 347.890 2.224 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112193392 1186717229 /nfs/dbraw/zinc/71/72/29/1186717229.db2.gz YCHUAFCLXBEFCH-RRFJBIMHSA-N 2 1 347.425 2.273 20 30 EEEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001105485333 1188102356 /nfs/dbraw/zinc/10/23/56/1188102356.db2.gz CKRORYMXBHNLOH-UHFFFAOYSA-N 2 1 337.508 2.034 20 30 EEEDMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)CC1 ZINC001273101239 1194385531 /nfs/dbraw/zinc/38/55/31/1194385531.db2.gz QIFJHZVLANWZOW-IAGOWNOFSA-N 2 1 332.492 2.087 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001033934997 1195544148 /nfs/dbraw/zinc/54/41/48/1195544148.db2.gz BAHGIZVDTDJLAQ-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033934997 1195544151 /nfs/dbraw/zinc/54/41/51/1195544151.db2.gz BAHGIZVDTDJLAQ-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033934997 1195544156 /nfs/dbraw/zinc/54/41/56/1195544156.db2.gz BAHGIZVDTDJLAQ-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005504512 1195745595 /nfs/dbraw/zinc/74/55/95/1195745595.db2.gz SQVUUDRUWFNSSY-IBGZPJMESA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005517999 1195895523 /nfs/dbraw/zinc/89/55/23/1195895523.db2.gz IOVCENPBLPEESZ-SFHVURJKSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005517999 1195895526 /nfs/dbraw/zinc/89/55/26/1195895526.db2.gz IOVCENPBLPEESZ-SFHVURJKSA-N 2 1 333.520 2.443 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034241142 1195991714 /nfs/dbraw/zinc/99/17/14/1195991714.db2.gz PBYFHNQHPROMQQ-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034241142 1195991718 /nfs/dbraw/zinc/99/17/18/1195991718.db2.gz PBYFHNQHPROMQQ-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034241142 1195991723 /nfs/dbraw/zinc/99/17/23/1195991723.db2.gz PBYFHNQHPROMQQ-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132409531 1199676528 /nfs/dbraw/zinc/67/65/28/1199676528.db2.gz AOVXCHFJZYITJL-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132409531 1199676529 /nfs/dbraw/zinc/67/65/29/1199676529.db2.gz AOVXCHFJZYITJL-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132409531 1199676531 /nfs/dbraw/zinc/67/65/31/1199676531.db2.gz AOVXCHFJZYITJL-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001133205144 1200592984 /nfs/dbraw/zinc/59/29/84/1200592984.db2.gz WMXWBAILLFNYDC-HOTGVXAUSA-N 2 1 339.443 2.141 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cn1c[nH+]cc1C ZINC001133401787 1200874519 /nfs/dbraw/zinc/87/45/19/1200874519.db2.gz MWRGNMMANDFMRS-UHFFFAOYSA-N 2 1 344.846 2.097 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000884103282 1202232925 /nfs/dbraw/zinc/23/29/25/1202232925.db2.gz GFOJFSNGYRJROY-IBGZPJMESA-N 2 1 346.519 2.038 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000884103282 1202232928 /nfs/dbraw/zinc/23/29/28/1202232928.db2.gz GFOJFSNGYRJROY-IBGZPJMESA-N 2 1 346.519 2.038 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130304 1204211290 /nfs/dbraw/zinc/21/12/90/1204211290.db2.gz BEDAQSSCXGRHHG-IAGOWNOFSA-N 2 1 330.476 2.405 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130304 1204211292 /nfs/dbraw/zinc/21/12/92/1204211292.db2.gz BEDAQSSCXGRHHG-IAGOWNOFSA-N 2 1 330.476 2.405 20 30 EEEDMP C=CCCCC[N@H+]1CC[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001274974818 1205223222 /nfs/dbraw/zinc/22/32/22/1205223222.db2.gz PBAWDLZZRUBJPD-IPMKNSEASA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723053 1208687011 /nfs/dbraw/zinc/68/70/11/1208687011.db2.gz PLJQJIYMUIBSGM-FXAWDEMLSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000947723402 1208687449 /nfs/dbraw/zinc/68/74/49/1208687449.db2.gz VTTQBEAVOMZYQO-CVEARBPZSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000947723402 1208687451 /nfs/dbraw/zinc/68/74/51/1208687451.db2.gz VTTQBEAVOMZYQO-CVEARBPZSA-N 2 1 346.475 2.429 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948716747 1209321817 /nfs/dbraw/zinc/32/18/17/1209321817.db2.gz DWGMEKJHJKDEJP-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948716747 1209321821 /nfs/dbraw/zinc/32/18/21/1209321821.db2.gz DWGMEKJHJKDEJP-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948766787 1209360982 /nfs/dbraw/zinc/36/09/82/1209360982.db2.gz OBBJDXZOYPGTEA-VQIMIIECSA-N 2 1 337.483 2.145 20 30 EEEDMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948982432 1209487763 /nfs/dbraw/zinc/48/77/63/1209487763.db2.gz LIMVYADEUFQLEM-IBGZPJMESA-N 2 1 339.483 2.374 20 30 EEEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000190537866 1209907112 /nfs/dbraw/zinc/90/71/12/1209907112.db2.gz RTOBWJWXLNUXOU-MJGOQNOKSA-N 2 1 344.503 2.324 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001111309701 1210105954 /nfs/dbraw/zinc/10/59/54/1210105954.db2.gz VUISYUGVBQYHQP-AQNXPRMDSA-N 2 1 339.483 2.101 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001111309701 1210105956 /nfs/dbraw/zinc/10/59/56/1210105956.db2.gz VUISYUGVBQYHQP-AQNXPRMDSA-N 2 1 339.483 2.101 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001111309701 1210105959 /nfs/dbraw/zinc/10/59/59/1210105959.db2.gz VUISYUGVBQYHQP-AQNXPRMDSA-N 2 1 339.483 2.101 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001111309701 1210105962 /nfs/dbraw/zinc/10/59/62/1210105962.db2.gz VUISYUGVBQYHQP-AQNXPRMDSA-N 2 1 339.483 2.101 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CC[NH+](C)C ZINC001114608008 1213136028 /nfs/dbraw/zinc/13/60/28/1213136028.db2.gz RQAKKAYSCRVXEE-PMOLBWCYSA-N 2 1 341.499 2.417 20 30 EEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000303778917 1213905373 /nfs/dbraw/zinc/90/53/73/1213905373.db2.gz KCBSIQYKOGLOMA-RTBURBONSA-N 3 1 345.535 2.458 20 30 EEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000303778917 1213905378 /nfs/dbraw/zinc/90/53/78/1213905378.db2.gz KCBSIQYKOGLOMA-RTBURBONSA-N 3 1 345.535 2.458 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568145 1215218796 /nfs/dbraw/zinc/21/87/96/1215218796.db2.gz FALVVFODDMODIX-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)Oc1ccccc1F ZINC000304667643 1216083496 /nfs/dbraw/zinc/08/34/96/1216083496.db2.gz BMKKDXZNZLVUTP-LSDHHAIUSA-N 2 1 336.455 2.372 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](OC)c1cccc(Cl)c1 ZINC000304771368 1216104853 /nfs/dbraw/zinc/10/48/53/1216104853.db2.gz AAQPUYDKYYLAAZ-HZPDHXFCSA-N 2 1 338.883 2.416 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960487733 1216622536 /nfs/dbraw/zinc/62/25/36/1216622536.db2.gz PFPXGRLXXSDUFK-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960487733 1216622538 /nfs/dbraw/zinc/62/25/38/1216622538.db2.gz PFPXGRLXXSDUFK-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000960487733 1216622540 /nfs/dbraw/zinc/62/25/40/1216622540.db2.gz PFPXGRLXXSDUFK-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000960487733 1216622541 /nfs/dbraw/zinc/62/25/41/1216622541.db2.gz PFPXGRLXXSDUFK-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253610 1217112005 /nfs/dbraw/zinc/11/20/05/1217112005.db2.gz QYNAHFWOOYXZCT-UXHICEINSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961277536 1217124040 /nfs/dbraw/zinc/12/40/40/1217124040.db2.gz SZVHMSDFTJTDHO-ROUUACIJSA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961293307 1217132319 /nfs/dbraw/zinc/13/23/19/1217132319.db2.gz NVVGZEOERYYBQG-UXHICEINSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961375763 1217163903 /nfs/dbraw/zinc/16/39/03/1217163903.db2.gz QIFIWCDQYZHTLH-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967424644 1220501452 /nfs/dbraw/zinc/50/14/52/1220501452.db2.gz UFENXYMORHDHBI-LPHOPBHVSA-N 2 1 329.488 2.417 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000968851251 1221621753 /nfs/dbraw/zinc/62/17/53/1221621753.db2.gz PRDLUKYRXRXGBT-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022251 1221747499 /nfs/dbraw/zinc/74/74/99/1221747499.db2.gz AFCKMBRWNFJMMC-ROUUACIJSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022251 1221747504 /nfs/dbraw/zinc/74/75/04/1221747504.db2.gz AFCKMBRWNFJMMC-ROUUACIJSA-N 2 1 342.487 2.138 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024073 1221748340 /nfs/dbraw/zinc/74/83/40/1221748340.db2.gz YIZZHSPICXGXGH-MSOLQXFVSA-N 2 1 342.487 2.138 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024073 1221748345 /nfs/dbraw/zinc/74/83/45/1221748345.db2.gz YIZZHSPICXGXGH-MSOLQXFVSA-N 2 1 342.487 2.138 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001007376733 1222197310 /nfs/dbraw/zinc/19/73/10/1222197310.db2.gz MFEVWEUZTIRRLP-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001007376733 1222197312 /nfs/dbraw/zinc/19/73/12/1222197312.db2.gz MFEVWEUZTIRRLP-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001007376733 1222197313 /nfs/dbraw/zinc/19/73/13/1222197313.db2.gz MFEVWEUZTIRRLP-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001007376733 1222197314 /nfs/dbraw/zinc/19/73/14/1222197314.db2.gz MFEVWEUZTIRRLP-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008543331 1222917571 /nfs/dbraw/zinc/91/75/71/1222917571.db2.gz UWRXALFRYRAQSW-IBGZPJMESA-N 2 1 327.472 2.008 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001014510497 1226700920 /nfs/dbraw/zinc/70/09/20/1226700920.db2.gz XAKUUOAJTAWBPF-RRQGHBQHSA-N 2 1 346.500 2.041 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001014510497 1226700922 /nfs/dbraw/zinc/70/09/22/1226700922.db2.gz XAKUUOAJTAWBPF-RRQGHBQHSA-N 2 1 346.500 2.041 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001014510497 1226700927 /nfs/dbraw/zinc/70/09/27/1226700927.db2.gz XAKUUOAJTAWBPF-RRQGHBQHSA-N 2 1 346.500 2.041 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001014510497 1226700930 /nfs/dbraw/zinc/70/09/30/1226700930.db2.gz XAKUUOAJTAWBPF-RRQGHBQHSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001016654677 1226735241 /nfs/dbraw/zinc/73/52/41/1226735241.db2.gz IZEXOTGXRFUVIR-HOTGVXAUSA-N 2 1 328.460 2.307 20 30 EEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001016903229 1226957924 /nfs/dbraw/zinc/95/79/24/1226957924.db2.gz XIRCYCFOAASRBV-KRWDZBQOSA-N 2 1 337.427 2.038 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016923032 1226973300 /nfs/dbraw/zinc/97/33/00/1226973300.db2.gz HILGILVHOVEVBF-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039132590 1230341417 /nfs/dbraw/zinc/34/14/17/1230341417.db2.gz AJZZPMQXBKYSBU-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039132590 1230341420 /nfs/dbraw/zinc/34/14/20/1230341420.db2.gz AJZZPMQXBKYSBU-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039132590 1230341425 /nfs/dbraw/zinc/34/14/25/1230341425.db2.gz AJZZPMQXBKYSBU-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039133324 1230342625 /nfs/dbraw/zinc/34/26/25/1230342625.db2.gz GTKSATYGGSICAG-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133324 1230342627 /nfs/dbraw/zinc/34/26/27/1230342627.db2.gz GTKSATYGGSICAG-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133324 1230342630 /nfs/dbraw/zinc/34/26/30/1230342630.db2.gz GTKSATYGGSICAG-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039141320 1230357193 /nfs/dbraw/zinc/35/71/93/1230357193.db2.gz VFZDPFLSAYNALC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141320 1230357195 /nfs/dbraw/zinc/35/71/95/1230357195.db2.gz VFZDPFLSAYNALC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141320 1230357196 /nfs/dbraw/zinc/35/71/96/1230357196.db2.gz VFZDPFLSAYNALC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173472 1230398964 /nfs/dbraw/zinc/39/89/64/1230398964.db2.gz XJAFPNXOQVEHKS-IRXDYDNUSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173472 1230398968 /nfs/dbraw/zinc/39/89/68/1230398968.db2.gz XJAFPNXOQVEHKS-IRXDYDNUSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173472 1230398971 /nfs/dbraw/zinc/39/89/71/1230398971.db2.gz XJAFPNXOQVEHKS-IRXDYDNUSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173470 1230399491 /nfs/dbraw/zinc/39/94/91/1230399491.db2.gz XJAFPNXOQVEHKS-DLBZAZTESA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173470 1230399494 /nfs/dbraw/zinc/39/94/94/1230399494.db2.gz XJAFPNXOQVEHKS-DLBZAZTESA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173470 1230399499 /nfs/dbraw/zinc/39/94/99/1230399499.db2.gz XJAFPNXOQVEHKS-DLBZAZTESA-N 2 1 339.911 2.251 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224908 1230455935 /nfs/dbraw/zinc/45/59/35/1230455935.db2.gz KSMMDXBAURBPJL-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039474304 1230638090 /nfs/dbraw/zinc/63/80/90/1230638090.db2.gz ASBMHMHYBREKHQ-MSOLQXFVSA-N 2 1 325.456 2.060 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(=C)C)C3)CC1 ZINC001040543322 1231284723 /nfs/dbraw/zinc/28/47/23/1231284723.db2.gz ORTLAGAJENCERA-NRFANRHFSA-N 2 1 343.515 2.222 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040700032 1231340093 /nfs/dbraw/zinc/34/00/93/1231340093.db2.gz GPFRWDQCEUQDFD-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042111242 1231896275 /nfs/dbraw/zinc/89/62/75/1231896275.db2.gz IDVKQHWZQGIFBH-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001042157580 1231925633 /nfs/dbraw/zinc/92/56/33/1231925633.db2.gz SERSPXWDXCMTSG-APWZRJJASA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001042157580 1231925634 /nfs/dbraw/zinc/92/56/34/1231925634.db2.gz SERSPXWDXCMTSG-APWZRJJASA-N 2 1 342.487 2.261 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC(=C)Cl)[C@H]3C2)CC1 ZINC001042367071 1232049495 /nfs/dbraw/zinc/04/94/95/1232049495.db2.gz AGHDXTAASJPNOT-AEFFLSMTSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC(=C)Cl)[C@H]3C2)CC1 ZINC001042367071 1232049497 /nfs/dbraw/zinc/04/94/97/1232049497.db2.gz AGHDXTAASJPNOT-AEFFLSMTSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCC(=C)C)[C@@H]3C2)CC1 ZINC001042369463 1232050836 /nfs/dbraw/zinc/05/08/36/1232050836.db2.gz YJTAEXLPRJJXMK-UYAOXDASSA-N 2 1 343.515 2.221 20 30 EEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001045555907 1233815332 /nfs/dbraw/zinc/81/53/32/1233815332.db2.gz CVAFBKLZSDJQRM-MRXNPFEDSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001045945771 1234206904 /nfs/dbraw/zinc/20/69/04/1234206904.db2.gz ZOJRCAQGRBYEGU-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC)C2)C1 ZINC001045945771 1234206908 /nfs/dbraw/zinc/20/69/08/1234206908.db2.gz ZOJRCAQGRBYEGU-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001045945771 1234206911 /nfs/dbraw/zinc/20/69/11/1234206911.db2.gz ZOJRCAQGRBYEGU-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCC)C2)C1 ZINC001045945771 1234206914 /nfs/dbraw/zinc/20/69/14/1234206914.db2.gz ZOJRCAQGRBYEGU-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCC)C2)C1 ZINC001045945771 1234206918 /nfs/dbraw/zinc/20/69/18/1234206918.db2.gz ZOJRCAQGRBYEGU-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001045949570 1234214350 /nfs/dbraw/zinc/21/43/50/1234214350.db2.gz JVRDEOCNEUIBME-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949570 1234214352 /nfs/dbraw/zinc/21/43/52/1234214352.db2.gz JVRDEOCNEUIBME-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949570 1234214354 /nfs/dbraw/zinc/21/43/54/1234214354.db2.gz JVRDEOCNEUIBME-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045964568 1234242248 /nfs/dbraw/zinc/24/22/48/1234242248.db2.gz KTYLDOBJXKZOPH-QUCCMNQESA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046625285 1235008445 /nfs/dbraw/zinc/00/84/45/1235008445.db2.gz GUSLDXOBCHZNRC-HXUWFJFHSA-N 2 1 327.472 2.008 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047226776 1235701026 /nfs/dbraw/zinc/70/10/26/1235701026.db2.gz XHYHFWUGZQIJTA-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001047265019 1235777545 /nfs/dbraw/zinc/77/75/45/1235777545.db2.gz OYAJYBDFHFUNRY-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047266234 1235779362 /nfs/dbraw/zinc/77/93/62/1235779362.db2.gz UHLNUSSPTZKGOR-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2ccsc2)CC1 ZINC001000788634 1240939234 /nfs/dbraw/zinc/93/92/34/1240939234.db2.gz WPDWTGFIRTVMES-SFHVURJKSA-N 2 1 343.496 2.094 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2ccsc2)CC1 ZINC001000788634 1240939241 /nfs/dbraw/zinc/93/92/41/1240939241.db2.gz WPDWTGFIRTVMES-SFHVURJKSA-N 2 1 343.496 2.094 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](Cc2ccsc2)CC1 ZINC001000788634 1240939245 /nfs/dbraw/zinc/93/92/45/1240939245.db2.gz WPDWTGFIRTVMES-SFHVURJKSA-N 2 1 343.496 2.094 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](Cc2ccsc2)CC1 ZINC001000788634 1240939252 /nfs/dbraw/zinc/93/92/52/1240939252.db2.gz WPDWTGFIRTVMES-SFHVURJKSA-N 2 1 343.496 2.094 20 30 EEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001001353338 1242117650 /nfs/dbraw/zinc/11/76/50/1242117650.db2.gz GBLJFMJENDJXSS-LJQANCHMSA-N 2 1 331.504 2.413 20 30 EEEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001001353338 1242117653 /nfs/dbraw/zinc/11/76/53/1242117653.db2.gz GBLJFMJENDJXSS-LJQANCHMSA-N 2 1 331.504 2.413 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001001353338 1242117656 /nfs/dbraw/zinc/11/76/56/1242117656.db2.gz GBLJFMJENDJXSS-LJQANCHMSA-N 2 1 331.504 2.413 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001001354311 1242118822 /nfs/dbraw/zinc/11/88/22/1242118822.db2.gz OJEFHVLZZZSOTM-UHFFFAOYSA-N 2 1 331.504 2.433 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCCC)CC1 ZINC001049909734 1242656491 /nfs/dbraw/zinc/65/64/91/1242656491.db2.gz CBUVCYCDGOXLJQ-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913455 1242675467 /nfs/dbraw/zinc/67/54/67/1242675467.db2.gz YFDXIRYMRYCJIP-WOJBJXKFSA-N 2 1 339.483 2.450 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049913586 1242678932 /nfs/dbraw/zinc/67/89/32/1242678932.db2.gz DDMBRQBHIKZUBX-GUDVDZBRSA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050048286 1242720600 /nfs/dbraw/zinc/72/06/00/1242720600.db2.gz ONRLYXMOOJIGKH-YESZJQIVSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050048286 1242720609 /nfs/dbraw/zinc/72/06/09/1242720609.db2.gz ONRLYXMOOJIGKH-YESZJQIVSA-N 2 1 337.895 2.004 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001050049649 1242722440 /nfs/dbraw/zinc/72/24/40/1242722440.db2.gz OTRLPYMVUKHUQF-FGTMMUONSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001050049649 1242722449 /nfs/dbraw/zinc/72/24/49/1242722449.db2.gz OTRLPYMVUKHUQF-FGTMMUONSA-N 2 1 342.487 2.343 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001050543434 1243814791 /nfs/dbraw/zinc/81/47/91/1243814791.db2.gz CZNBDYKXVPWLKW-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001052717011 1244826099 /nfs/dbraw/zinc/82/60/99/1244826099.db2.gz REAIJPHACRCBSM-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001052717011 1244826104 /nfs/dbraw/zinc/82/61/04/1244826104.db2.gz REAIJPHACRCBSM-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051191 1245773183 /nfs/dbraw/zinc/77/31/83/1245773183.db2.gz KSLCYKVSXCZHBA-RBUKOAKNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCCCC)C[C@@]3(C)C2)CC1 ZINC001101474372 1245879359 /nfs/dbraw/zinc/87/93/59/1245879359.db2.gz WJOVYZQEOPGCGE-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099896 1245904225 /nfs/dbraw/zinc/90/42/25/1245904225.db2.gz BYZSIPHYXWBZGP-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099889 1245905030 /nfs/dbraw/zinc/90/50/30/1245905030.db2.gz BYZSIPHYXWBZGP-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)O2 ZINC001053674154 1246626516 /nfs/dbraw/zinc/62/65/16/1246626516.db2.gz JRTFJGLIQLQJKO-MSOLQXFVSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)O2 ZINC001053701400 1246679000 /nfs/dbraw/zinc/67/90/00/1246679000.db2.gz USYUYMYWUMPVJN-ROUUACIJSA-N 2 1 349.519 2.177 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001052254716 1246779984 /nfs/dbraw/zinc/77/99/84/1246779984.db2.gz OJMSLYGVNBJGMV-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001052254716 1246779995 /nfs/dbraw/zinc/77/99/95/1246779995.db2.gz OJMSLYGVNBJGMV-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001052254716 1246780001 /nfs/dbraw/zinc/78/00/01/1246780001.db2.gz OJMSLYGVNBJGMV-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145038 1247516632 /nfs/dbraw/zinc/51/66/32/1247516632.db2.gz INJQHCFYDOUGKH-APWZRJJASA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145038 1247516640 /nfs/dbraw/zinc/51/66/40/1247516640.db2.gz INJQHCFYDOUGKH-APWZRJJASA-N 2 1 328.460 2.261 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227033 1247777865 /nfs/dbraw/zinc/77/78/65/1247777865.db2.gz CIXHFXJTDYIKTL-HXUWFJFHSA-N 2 1 340.471 2.099 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227033 1247777871 /nfs/dbraw/zinc/77/78/71/1247777871.db2.gz CIXHFXJTDYIKTL-HXUWFJFHSA-N 2 1 340.471 2.099 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099665 1254930188 /nfs/dbraw/zinc/93/01/88/1254930188.db2.gz VJQJIFHYCRQFDM-SJLPKXTDSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111466539 1257983230 /nfs/dbraw/zinc/98/32/30/1257983230.db2.gz ZDZAVJPHFNZIGH-AKHDSKFASA-N 2 1 325.456 2.034 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111466539 1257983233 /nfs/dbraw/zinc/98/32/33/1257983233.db2.gz ZDZAVJPHFNZIGH-AKHDSKFASA-N 2 1 325.456 2.034 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099552899 1258201959 /nfs/dbraw/zinc/20/19/59/1258201959.db2.gz QDWYCDWVLUXTJA-MANSERQUSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099552899 1258201963 /nfs/dbraw/zinc/20/19/63/1258201963.db2.gz QDWYCDWVLUXTJA-MANSERQUSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099552899 1258201968 /nfs/dbraw/zinc/20/19/68/1258201968.db2.gz QDWYCDWVLUXTJA-MANSERQUSA-N 2 1 333.520 2.462 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001100829951 1259312159 /nfs/dbraw/zinc/31/21/59/1259312159.db2.gz UEKSVBZLPOJDQL-UHFFFAOYSA-N 2 1 346.450 2.024 20 30 EEEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201044449 1287270699 /nfs/dbraw/zinc/27/06/99/1287270699.db2.gz WFAWDKGTPHQMPS-SFHVURJKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188949264 1280076201 /nfs/dbraw/zinc/07/62/01/1280076201.db2.gz NZHWZAKLLCSRJH-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188949264 1280076212 /nfs/dbraw/zinc/07/62/12/1280076212.db2.gz NZHWZAKLLCSRJH-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644718 1280991997 /nfs/dbraw/zinc/99/19/97/1280991997.db2.gz KQYNBKMDVDPKGY-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001190644718 1280992004 /nfs/dbraw/zinc/99/20/04/1280992004.db2.gz KQYNBKMDVDPKGY-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001190644718 1280992009 /nfs/dbraw/zinc/99/20/09/1280992009.db2.gz KQYNBKMDVDPKGY-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191069680 1281197755 /nfs/dbraw/zinc/19/77/55/1281197755.db2.gz JRQMBVPFUWKAEN-LSDHHAIUSA-N 2 1 334.464 2.237 20 30 EEEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191069680 1281197758 /nfs/dbraw/zinc/19/77/58/1281197758.db2.gz JRQMBVPFUWKAEN-LSDHHAIUSA-N 2 1 334.464 2.237 20 30 EEEDMP C#CCC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197810451 1284823376 /nfs/dbraw/zinc/82/33/76/1284823376.db2.gz WQFIWOKEXDLSJI-IBGZPJMESA-N 2 1 327.472 2.237 20 30 EEEDMP C#CCC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197810451 1284823385 /nfs/dbraw/zinc/82/33/85/1284823385.db2.gz WQFIWOKEXDLSJI-IBGZPJMESA-N 2 1 327.472 2.237 20 30 EEEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197810451 1284823396 /nfs/dbraw/zinc/82/33/96/1284823396.db2.gz WQFIWOKEXDLSJI-IBGZPJMESA-N 2 1 327.472 2.237 20 30 EEEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197810451 1284823406 /nfs/dbraw/zinc/82/34/06/1284823406.db2.gz WQFIWOKEXDLSJI-IBGZPJMESA-N 2 1 327.472 2.237 20 30 EEEDMP C#Cc1cccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c1 ZINC001273800809 1285990418 /nfs/dbraw/zinc/99/04/18/1285990418.db2.gz WNEFJNIYYKUKSP-OAQYLSRUSA-N 2 1 339.483 2.187 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001211268611 1295788860 /nfs/dbraw/zinc/78/88/60/1295788860.db2.gz KFBPPTDFHYOYSH-IBGZPJMESA-N 2 1 345.462 2.098 20 30 EEEDMP C#CCCC[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001276979726 1300639535 /nfs/dbraw/zinc/63/95/35/1300639535.db2.gz LUXATMOZXXXSAR-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507031 1301159379 /nfs/dbraw/zinc/15/93/79/1301159379.db2.gz MMTKBGBOEZLGHO-HLIPFELVSA-N 2 1 329.488 2.334 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103086692 1302193540 /nfs/dbraw/zinc/19/35/40/1302193540.db2.gz NMHJCAHOZBUQGW-BRWVUGGUSA-N 2 1 330.476 2.411 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103086692 1302193547 /nfs/dbraw/zinc/19/35/47/1302193547.db2.gz NMHJCAHOZBUQGW-BRWVUGGUSA-N 2 1 330.476 2.411 20 30 EEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001228864778 1302491596 /nfs/dbraw/zinc/49/15/96/1302491596.db2.gz QLLHMKFLYXQIMX-INIZCTEOSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCCC[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001229616627 1302890699 /nfs/dbraw/zinc/89/06/99/1302890699.db2.gz NWQLFAULFPVOFB-UHFFFAOYSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230784135 1303455870 /nfs/dbraw/zinc/45/58/70/1303455870.db2.gz XPHVFSYTAOEFRW-GOSISDBHSA-N 2 1 332.492 2.306 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1cccnc1 ZINC001230898700 1303532046 /nfs/dbraw/zinc/53/20/46/1303532046.db2.gz MDKYCCGTFRGVFH-SFHVURJKSA-N 2 1 344.503 2.308 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230898700 1303532050 /nfs/dbraw/zinc/53/20/50/1303532050.db2.gz MDKYCCGTFRGVFH-SFHVURJKSA-N 2 1 344.503 2.308 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230898700 1303532053 /nfs/dbraw/zinc/53/20/53/1303532053.db2.gz MDKYCCGTFRGVFH-SFHVURJKSA-N 2 1 344.503 2.308 20 30 EEEDMP C[C@H](CO)C[NH+]1CCC2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277998597 1305638593 /nfs/dbraw/zinc/63/85/93/1305638593.db2.gz NDGLMJALQHNTRV-KRWDZBQOSA-N 2 1 344.503 2.203 20 30 EEEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@H](C)Cc2cnc[nH]2)CCCCC1 ZINC001115766114 1305749017 /nfs/dbraw/zinc/74/90/17/1305749017.db2.gz WDKIFTNZBDSOER-MRXNPFEDSA-N 2 1 348.491 2.200 20 30 EEEDMP C#CC[NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001120245629 1309403582 /nfs/dbraw/zinc/40/35/82/1309403582.db2.gz NWGKHDXTMRPGRP-UHFFFAOYSA-N 2 1 327.472 2.160 20 30 EEEDMP C#CC[NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCCCC1 ZINC001120245629 1309403586 /nfs/dbraw/zinc/40/35/86/1309403586.db2.gz NWGKHDXTMRPGRP-UHFFFAOYSA-N 2 1 327.472 2.160 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289446 1309969675 /nfs/dbraw/zinc/96/96/75/1309969675.db2.gz SONKLRYJVCWCPB-ZNHYBDOUSA-N 2 1 349.519 2.077 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289446 1309969679 /nfs/dbraw/zinc/96/96/79/1309969679.db2.gz SONKLRYJVCWCPB-ZNHYBDOUSA-N 2 1 349.519 2.077 20 30 EEEDMP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001246305425 1310276571 /nfs/dbraw/zinc/27/65/71/1310276571.db2.gz RKKGPKLPDISHEF-IPQPSQTFSA-N 3 1 349.519 2.208 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001246305425 1310276579 /nfs/dbraw/zinc/27/65/79/1310276579.db2.gz RKKGPKLPDISHEF-IPQPSQTFSA-N 3 1 349.519 2.208 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001246305425 1310276589 /nfs/dbraw/zinc/27/65/89/1310276589.db2.gz RKKGPKLPDISHEF-IPQPSQTFSA-N 3 1 349.519 2.208 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC001160866297 1320296413 /nfs/dbraw/zinc/29/64/13/1320296413.db2.gz AMPYTYPYFBGDDG-RTBURBONSA-N 2 1 340.471 2.171 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001150452556 1316268149 /nfs/dbraw/zinc/26/81/49/1316268149.db2.gz GITRWYUSUQZAAX-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001150452556 1316268152 /nfs/dbraw/zinc/26/81/52/1316268152.db2.gz GITRWYUSUQZAAX-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001150452556 1316268159 /nfs/dbraw/zinc/26/81/59/1316268159.db2.gz GITRWYUSUQZAAX-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226863 1317510996 /nfs/dbraw/zinc/51/09/96/1317510996.db2.gz PKMVAPSEIBNMAH-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226863 1317511005 /nfs/dbraw/zinc/51/10/05/1317511005.db2.gz PKMVAPSEIBNMAH-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226863 1317511012 /nfs/dbraw/zinc/51/10/12/1317511012.db2.gz PKMVAPSEIBNMAH-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161102103 1320384020 /nfs/dbraw/zinc/38/40/20/1320384020.db2.gz SHTSDIKITHHIOW-UHFFFAOYSA-N 2 1 325.884 2.219 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161102103 1320384023 /nfs/dbraw/zinc/38/40/23/1320384023.db2.gz SHTSDIKITHHIOW-UHFFFAOYSA-N 2 1 325.884 2.219 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161946973 1320689443 /nfs/dbraw/zinc/68/94/43/1320689443.db2.gz OTXQKEMKUDFXQZ-UHFFFAOYSA-N 2 1 325.456 2.133 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C(C)C)(COC)CC1 ZINC001162513219 1320883549 /nfs/dbraw/zinc/88/35/49/1320883549.db2.gz IGKQUOUZXKHDOA-UHFFFAOYSA-N 2 1 348.491 2.037 20 30 EEEDMP C=CCn1ccc2c1nc[nH+]c2NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163268800 1321082913 /nfs/dbraw/zinc/08/29/13/1321082913.db2.gz FVZHFJSWLUQYSX-KSSFIOAISA-N 2 1 327.432 2.188 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001163819801 1321225242 /nfs/dbraw/zinc/22/52/42/1321225242.db2.gz AMDWNKIFUMOZFO-GOSISDBHSA-N 2 1 340.471 2.029 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001163822110 1321225620 /nfs/dbraw/zinc/22/56/20/1321225620.db2.gz SHLMXBFLTDYMPY-SFHVURJKSA-N 2 1 340.471 2.029 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001165332337 1321502439 /nfs/dbraw/zinc/50/24/39/1321502439.db2.gz HSOQPGNLUSFQED-OAHLLOKOSA-N 2 1 327.900 2.489 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]2CCCO2)CC3)cc1C#N ZINC001276431057 1321998638 /nfs/dbraw/zinc/99/86/38/1321998638.db2.gz AJCVFBJRNSFYOG-LJQANCHMSA-N 2 1 342.487 2.364 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205391074 1323107911 /nfs/dbraw/zinc/10/79/11/1323107911.db2.gz LQZNPOPBYPPPPJ-OTWHNJEPSA-N 2 1 345.462 2.380 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001207761081 1324134451 /nfs/dbraw/zinc/13/44/51/1324134451.db2.gz GKCHIWNSBMMBPF-QIIPPGSGSA-N 2 1 330.476 2.226 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001208530232 1324545355 /nfs/dbraw/zinc/54/53/55/1324545355.db2.gz LDNFQRRPHNWZPE-MISYRCLQSA-N 2 1 341.499 2.061 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001208530232 1324545359 /nfs/dbraw/zinc/54/53/59/1324545359.db2.gz LDNFQRRPHNWZPE-MISYRCLQSA-N 2 1 341.499 2.061 20 30 EEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209221280 1324861390 /nfs/dbraw/zinc/86/13/90/1324861390.db2.gz AKZUCEFCSKTKCH-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209952971 1325108664 /nfs/dbraw/zinc/10/86/64/1325108664.db2.gz RRVISFMJQIDYGW-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209952969 1325109229 /nfs/dbraw/zinc/10/92/29/1325109229.db2.gz RRVISFMJQIDYGW-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210182996 1325194638 /nfs/dbraw/zinc/19/46/38/1325194638.db2.gz JXCIKLYKHHZVIW-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1O ZINC001276685145 1325304672 /nfs/dbraw/zinc/30/46/72/1325304672.db2.gz VVEIIIUQRACDDQ-KDURUIRLSA-N 2 1 329.488 2.331 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001210773375 1325425256 /nfs/dbraw/zinc/42/52/56/1325425256.db2.gz IARXFUAKPNDRLE-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP N#Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1F ZINC001580076475 1344467545 /nfs/dbraw/zinc/46/75/45/1344467545.db2.gz XYVOSMIDYUJHCN-HDICACEKSA-N 2 1 328.435 2.098 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202148468 1368880872 /nfs/dbraw/zinc/88/08/72/1368880872.db2.gz VPMZPJCOVUNQAR-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C[N@@H+](CC(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001100410024 1373037632 /nfs/dbraw/zinc/03/76/32/1373037632.db2.gz WWISPVUHMIVRIM-UHFFFAOYSA-N 2 1 340.471 2.027 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001367239069 1374141223 /nfs/dbraw/zinc/14/12/23/1374141223.db2.gz DNMAFUICRBLGQK-YOEHRIQHSA-N 2 1 348.516 2.334 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001377396022 1379203824 /nfs/dbraw/zinc/20/38/24/1379203824.db2.gz UJKQUHRUZJJKRL-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001377396022 1379203831 /nfs/dbraw/zinc/20/38/31/1379203831.db2.gz UJKQUHRUZJJKRL-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001377396022 1379203836 /nfs/dbraw/zinc/20/38/36/1379203836.db2.gz UJKQUHRUZJJKRL-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001378248624 1379819508 /nfs/dbraw/zinc/81/95/08/1379819508.db2.gz FOEQFEJXWYOCEW-QGZVFWFLSA-N 2 1 328.460 2.027 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001390609365 1388697471 /nfs/dbraw/zinc/69/74/71/1388697471.db2.gz HLAZIFITIMBNKW-GJZGRUSLSA-N 2 1 348.516 2.479 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001393039532 1390290131 /nfs/dbraw/zinc/29/01/31/1390290131.db2.gz QSFIEPDGSDGCNZ-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001393645520 1390510823 /nfs/dbraw/zinc/51/08/23/1390510823.db2.gz ZINFWKMUEMOGFI-SFHVURJKSA-N 2 1 330.476 2.179 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752836910 1406467156 /nfs/dbraw/zinc/46/71/56/1406467156.db2.gz PYVGBZMPXILRLS-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752836910 1406467159 /nfs/dbraw/zinc/46/71/59/1406467159.db2.gz PYVGBZMPXILRLS-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752836910 1406467162 /nfs/dbraw/zinc/46/71/62/1406467162.db2.gz PYVGBZMPXILRLS-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001401507413 1397414446 /nfs/dbraw/zinc/41/44/46/1397414446.db2.gz XPVBFOUEJJUHSW-RBUKOAKNSA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001402434217 1397997924 /nfs/dbraw/zinc/99/79/24/1397997924.db2.gz RPNQBGCNQPVPGW-ZIAGYGMSSA-N 2 1 346.313 2.063 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2C#N)C1 ZINC001423574866 1400646627 /nfs/dbraw/zinc/64/66/27/1400646627.db2.gz ATFDEXKRYXGKRY-FQEVSTJZSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2C#N)C1 ZINC001423574866 1400646633 /nfs/dbraw/zinc/64/66/33/1400646633.db2.gz ATFDEXKRYXGKRY-FQEVSTJZSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001423574866 1400646637 /nfs/dbraw/zinc/64/66/37/1400646637.db2.gz ATFDEXKRYXGKRY-FQEVSTJZSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001423574866 1400646644 /nfs/dbraw/zinc/64/66/44/1400646644.db2.gz ATFDEXKRYXGKRY-FQEVSTJZSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@H]1C ZINC001425885085 1401788933 /nfs/dbraw/zinc/78/89/33/1401788933.db2.gz HNBUDAVWBDMUBU-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[C@@]1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC001574515853 1403521375 /nfs/dbraw/zinc/52/13/75/1403521375.db2.gz AITGKINUKNPJFO-XLIONFOSSA-N 2 1 327.472 2.159 20 30 EEEDMP C#CC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574517799 1403521998 /nfs/dbraw/zinc/52/19/98/1403521998.db2.gz QIJYPFVJIHCEKF-SLYNCCJLSA-N 2 1 339.483 2.159 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001733921904 1406021177 /nfs/dbraw/zinc/02/11/77/1406021177.db2.gz CDUOKQQLNCHMRN-FQEVSTJZSA-N 2 1 341.499 2.349 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001755768665 1407828658 /nfs/dbraw/zinc/82/86/58/1407828658.db2.gz SRUAMHNRYWKYGN-UKRRQHHQSA-N 2 1 347.425 2.273 20 30 EEEDMP CC#CC[N@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001755888317 1407950383 /nfs/dbraw/zinc/95/03/83/1407950383.db2.gz UTUACIXEQUOQQZ-INIZCTEOSA-N 2 1 328.460 2.168 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001755888317 1407950389 /nfs/dbraw/zinc/95/03/89/1407950389.db2.gz UTUACIXEQUOQQZ-INIZCTEOSA-N 2 1 328.460 2.168 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840716 782352265 /nfs/dbraw/zinc/35/22/65/782352265.db2.gz KQNWYDCQKXNERK-RBUKOAKNSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc3c1CCCC3)C2 ZINC001109528620 805622768 /nfs/dbraw/zinc/62/27/68/805622768.db2.gz AMNUXBPPISRLHZ-AYBZRNKSSA-N 2 1 342.487 2.450 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109528620 805622771 /nfs/dbraw/zinc/62/27/71/805622771.db2.gz AMNUXBPPISRLHZ-AYBZRNKSSA-N 2 1 342.487 2.450 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109528620 805622774 /nfs/dbraw/zinc/62/27/74/805622774.db2.gz AMNUXBPPISRLHZ-AYBZRNKSSA-N 2 1 342.487 2.450 20 30 EEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001167237206 757547515 /nfs/dbraw/zinc/54/75/15/757547515.db2.gz XCDBYRJDTLXWCV-MRXNPFEDSA-N 2 1 330.476 2.206 20 30 EEEDMP C=CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001075410488 759377363 /nfs/dbraw/zinc/37/73/63/759377363.db2.gz CODAWNQOIOWLBA-ICSRJNTNSA-N 2 1 349.519 2.033 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001167628251 760774476 /nfs/dbraw/zinc/77/44/76/760774476.db2.gz YAPHJOHGLHTRIY-LJQANCHMSA-N 2 1 342.487 2.417 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942556294 782726959 /nfs/dbraw/zinc/72/69/59/782726959.db2.gz YTYBAXXTMUUSPH-ZFWWWQNUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942556294 782726967 /nfs/dbraw/zinc/72/69/67/782726967.db2.gz YTYBAXXTMUUSPH-ZFWWWQNUSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089475882 769632059 /nfs/dbraw/zinc/63/20/59/769632059.db2.gz CCSUUUCRXCKSRO-MRXNPFEDSA-N 2 1 331.460 2.195 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477012 769655627 /nfs/dbraw/zinc/65/56/27/769655627.db2.gz JCRPWDZJNOEXQP-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477012 769655630 /nfs/dbraw/zinc/65/56/30/769655630.db2.gz JCRPWDZJNOEXQP-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477012 769655633 /nfs/dbraw/zinc/65/56/33/769655633.db2.gz JCRPWDZJNOEXQP-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980167626 773993081 /nfs/dbraw/zinc/99/30/81/773993081.db2.gz FLKHOGPBVKXJDG-KSZLIROESA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839007 777493915 /nfs/dbraw/zinc/49/39/15/777493915.db2.gz ODKHQMOHBJCDFV-LDTOTXGLSA-N 2 1 348.450 2.140 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813829 778239868 /nfs/dbraw/zinc/23/98/68/778239868.db2.gz RXPRLKDIOLIWEL-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981813829 778239872 /nfs/dbraw/zinc/23/98/72/778239872.db2.gz RXPRLKDIOLIWEL-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000981813829 778239878 /nfs/dbraw/zinc/23/98/78/778239878.db2.gz RXPRLKDIOLIWEL-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028139795 778367396 /nfs/dbraw/zinc/36/73/96/778367396.db2.gz UCWIGGHQPUKUDI-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028139795 778367405 /nfs/dbraw/zinc/36/74/05/778367405.db2.gz UCWIGGHQPUKUDI-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP COc1ccc(CCNC(=[NH2+])NCC[N@@H+](C)C2CCCC2)cc1OC ZINC000178569067 779435263 /nfs/dbraw/zinc/43/52/63/779435263.db2.gz RGSLYGDGSJESTP-UHFFFAOYSA-N 2 1 348.491 2.025 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C/C=C\Cl)C[C@]2(C)C1 ZINC000982298398 779621166 /nfs/dbraw/zinc/62/11/66/779621166.db2.gz DJCDGAXNPFUCMF-BFQIUNPZSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C/C=C\Cl)C[C@]2(C)C1 ZINC000982298398 779621169 /nfs/dbraw/zinc/62/11/69/779621169.db2.gz DJCDGAXNPFUCMF-BFQIUNPZSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C/C=C\Cl)C[C@]2(C)C1 ZINC000982298398 779621172 /nfs/dbraw/zinc/62/11/72/779621172.db2.gz DJCDGAXNPFUCMF-BFQIUNPZSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C/C=C\Cl)C[C@]2(C)C1 ZINC000982298398 779621174 /nfs/dbraw/zinc/62/11/74/779621174.db2.gz DJCDGAXNPFUCMF-BFQIUNPZSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001105394438 781791545 /nfs/dbraw/zinc/79/15/45/781791545.db2.gz XANAEXXFYKMNOW-SFHVURJKSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001105394438 781791553 /nfs/dbraw/zinc/79/15/53/781791553.db2.gz XANAEXXFYKMNOW-SFHVURJKSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001105394438 781791558 /nfs/dbraw/zinc/79/15/58/781791558.db2.gz XANAEXXFYKMNOW-SFHVURJKSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481535 783837310 /nfs/dbraw/zinc/83/73/10/783837310.db2.gz VHZXRYAGLIFTRM-HOTGVXAUSA-N 2 1 327.513 2.040 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035216046 784139973 /nfs/dbraw/zinc/13/99/73/784139973.db2.gz RFLIMNMHUQYYSU-IBGZPJMESA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035216046 784139976 /nfs/dbraw/zinc/13/99/76/784139976.db2.gz RFLIMNMHUQYYSU-IBGZPJMESA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035216046 784139978 /nfs/dbraw/zinc/13/99/78/784139978.db2.gz RFLIMNMHUQYYSU-IBGZPJMESA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035234229 784148516 /nfs/dbraw/zinc/14/85/16/784148516.db2.gz PZZIXTFRUVZMCP-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035234229 784148519 /nfs/dbraw/zinc/14/85/19/784148519.db2.gz PZZIXTFRUVZMCP-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035485379 784567946 /nfs/dbraw/zinc/56/79/46/784567946.db2.gz QWGAYLYJVNOJSW-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035485379 784567956 /nfs/dbraw/zinc/56/79/56/784567956.db2.gz QWGAYLYJVNOJSW-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001035485379 784567964 /nfs/dbraw/zinc/56/79/64/784567964.db2.gz QWGAYLYJVNOJSW-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001035485379 784567968 /nfs/dbraw/zinc/56/79/68/784567968.db2.gz QWGAYLYJVNOJSW-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135858090 784640844 /nfs/dbraw/zinc/64/08/44/784640844.db2.gz SGFWSEGWPBMIGM-SJORKVTESA-N 2 1 347.478 2.392 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC3CC(C)C3)C2)CC1 ZINC001035725011 785023494 /nfs/dbraw/zinc/02/34/94/785023494.db2.gz XYISYORPJNJUKS-ACBHZAAOSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC3CC(C)C3)C2)CC1 ZINC001035725011 785023497 /nfs/dbraw/zinc/02/34/97/785023497.db2.gz XYISYORPJNJUKS-ACBHZAAOSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035741393 785056263 /nfs/dbraw/zinc/05/62/63/785056263.db2.gz MKHVEIMHCQNULQ-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000995920355 785819342 /nfs/dbraw/zinc/81/93/42/785819342.db2.gz FIIOVBYXIOWDOC-OALUTQOASA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000995920355 785819351 /nfs/dbraw/zinc/81/93/51/785819351.db2.gz FIIOVBYXIOWDOC-OALUTQOASA-N 2 1 339.483 2.111 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439328 787247384 /nfs/dbraw/zinc/24/73/84/787247384.db2.gz WDOGCVWVKGECTN-JFIYKMOQSA-N 2 1 339.911 2.440 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643821 787987867 /nfs/dbraw/zinc/98/78/67/787987867.db2.gz UHCSANLKDJGXAS-UYAOXDASSA-N 2 1 331.504 2.247 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997086031 788744072 /nfs/dbraw/zinc/74/40/72/788744072.db2.gz RPMWZENEOJXPMT-RHSMWYFYSA-N 2 1 339.911 2.297 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000923575597 789801396 /nfs/dbraw/zinc/80/13/96/789801396.db2.gz JWGRJUBVIXJOET-IBGZPJMESA-N 2 1 334.423 2.075 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000923575597 789801400 /nfs/dbraw/zinc/80/14/00/789801400.db2.gz JWGRJUBVIXJOET-IBGZPJMESA-N 2 1 334.423 2.075 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089910079 789919063 /nfs/dbraw/zinc/91/90/63/789919063.db2.gz YZBFMESIPIYBRC-NXOAAHMSSA-N 2 1 337.895 2.004 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001146591877 791360207 /nfs/dbraw/zinc/36/02/07/791360207.db2.gz HUYVDUFIHHVQFH-IRXDYDNUSA-N 2 1 347.478 2.390 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001146591048 791360668 /nfs/dbraw/zinc/36/06/68/791360668.db2.gz FQKAOYJTYFFHLF-LSDHHAIUSA-N 2 1 348.466 2.410 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000948040394 791889612 /nfs/dbraw/zinc/88/96/12/791889612.db2.gz PJCWTBHPTBTXSU-HUUCEWRRSA-N 2 1 346.500 2.185 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001148570540 792509638 /nfs/dbraw/zinc/50/96/38/792509638.db2.gz GALDKUZAUMGSOV-UHFFFAOYSA-N 2 1 335.879 2.129 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089928656 792575334 /nfs/dbraw/zinc/57/53/34/792575334.db2.gz LLRYFQDNQYVBQX-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089928656 792575347 /nfs/dbraw/zinc/57/53/47/792575347.db2.gz LLRYFQDNQYVBQX-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089928656 792575356 /nfs/dbraw/zinc/57/53/56/792575356.db2.gz LLRYFQDNQYVBQX-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@H]12 ZINC000992169866 793024847 /nfs/dbraw/zinc/02/48/47/793024847.db2.gz SLCIUPJJSBFLJH-FPOVZHCZSA-N 2 1 339.483 2.151 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001086957159 793100504 /nfs/dbraw/zinc/10/05/04/793100504.db2.gz GOXUKZCJAPPXFS-MRXNPFEDSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001086957618 793101521 /nfs/dbraw/zinc/10/15/21/793101521.db2.gz SBPZKNXELSMVHM-MRXNPFEDSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001212405819 793138669 /nfs/dbraw/zinc/13/86/69/793138669.db2.gz DSSQMCMWMUFTLP-GUDVDZBRSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212405819 793138679 /nfs/dbraw/zinc/13/86/79/793138679.db2.gz DSSQMCMWMUFTLP-GUDVDZBRSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212405819 793138685 /nfs/dbraw/zinc/13/86/85/793138685.db2.gz DSSQMCMWMUFTLP-GUDVDZBRSA-N 2 1 349.519 2.175 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992189184 793143142 /nfs/dbraw/zinc/14/31/42/793143142.db2.gz MKVDULQPCWHZKI-NSISKUIASA-N 2 1 349.494 2.335 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992189184 793143146 /nfs/dbraw/zinc/14/31/46/793143146.db2.gz MKVDULQPCWHZKI-NSISKUIASA-N 2 1 349.494 2.335 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992189184 793143150 /nfs/dbraw/zinc/14/31/50/793143150.db2.gz MKVDULQPCWHZKI-NSISKUIASA-N 2 1 349.494 2.335 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992189183 793143270 /nfs/dbraw/zinc/14/32/70/793143270.db2.gz MKVDULQPCWHZKI-LSTHTHJFSA-N 2 1 349.494 2.335 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992189183 793143275 /nfs/dbraw/zinc/14/32/75/793143275.db2.gz MKVDULQPCWHZKI-LSTHTHJFSA-N 2 1 349.494 2.335 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992189183 793143280 /nfs/dbraw/zinc/14/32/80/793143280.db2.gz MKVDULQPCWHZKI-LSTHTHJFSA-N 2 1 349.494 2.335 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212411535 793859401 /nfs/dbraw/zinc/85/94/01/793859401.db2.gz ATLDYPXAIBYHAT-KURKYZTESA-N 2 1 339.524 2.112 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676484 794221781 /nfs/dbraw/zinc/22/17/81/794221781.db2.gz AHLTWJLRPUJKGT-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676484 794221785 /nfs/dbraw/zinc/22/17/85/794221785.db2.gz AHLTWJLRPUJKGT-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676484 794221791 /nfs/dbraw/zinc/22/17/91/794221791.db2.gz AHLTWJLRPUJKGT-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092816678 794378765 /nfs/dbraw/zinc/37/87/65/794378765.db2.gz CPJPNBZDQYUOHC-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717268 794610786 /nfs/dbraw/zinc/61/07/86/794610786.db2.gz SSASLDPRPZICEF-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001093369754 795100187 /nfs/dbraw/zinc/10/01/87/795100187.db2.gz GJVKDFKWXXOFJP-BHIYHBOVSA-N 2 1 343.515 2.053 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093369754 795100192 /nfs/dbraw/zinc/10/01/92/795100192.db2.gz GJVKDFKWXXOFJP-BHIYHBOVSA-N 2 1 343.515 2.053 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093369754 795100198 /nfs/dbraw/zinc/10/01/98/795100198.db2.gz GJVKDFKWXXOFJP-BHIYHBOVSA-N 2 1 343.515 2.053 20 30 EEEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001093383997 795127372 /nfs/dbraw/zinc/12/73/72/795127372.db2.gz RTPCWCLIOLJSJZ-ZWKOTPCHSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093383997 795127376 /nfs/dbraw/zinc/12/73/76/795127376.db2.gz RTPCWCLIOLJSJZ-ZWKOTPCHSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093383997 795127379 /nfs/dbraw/zinc/12/73/79/795127379.db2.gz RTPCWCLIOLJSJZ-ZWKOTPCHSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001107998749 795346656 /nfs/dbraw/zinc/34/66/56/795346656.db2.gz QREOAANDCREGSF-UYAOXDASSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107998749 795346663 /nfs/dbraw/zinc/34/66/63/795346663.db2.gz QREOAANDCREGSF-UYAOXDASSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107998749 795346671 /nfs/dbraw/zinc/34/66/71/795346671.db2.gz QREOAANDCREGSF-UYAOXDASSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106669161 796080444 /nfs/dbraw/zinc/08/04/44/796080444.db2.gz YUTIOXLJBWJMJT-UKRRQHHQSA-N 2 1 327.900 2.155 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161532 796537398 /nfs/dbraw/zinc/53/73/98/796537398.db2.gz IIAZBJNDZFRYNM-XWSJACJDSA-N 2 1 349.519 2.031 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099270151 796572358 /nfs/dbraw/zinc/57/23/58/796572358.db2.gz ICJFZUDLSOODPS-KRWDZBQOSA-N 2 1 330.476 2.212 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099270151 796572362 /nfs/dbraw/zinc/57/23/62/796572362.db2.gz ICJFZUDLSOODPS-KRWDZBQOSA-N 2 1 330.476 2.212 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001171725008 796704912 /nfs/dbraw/zinc/70/49/12/796704912.db2.gz CSXOPZPKAHKZHZ-UHFFFAOYSA-N 2 1 333.451 2.005 20 30 EEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272061 798064580 /nfs/dbraw/zinc/06/45/80/798064580.db2.gz GUQFZCGUYQFZKD-NVXWUHKLSA-N 2 1 330.476 2.042 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)C)[C@H]2C)CC1 ZINC000994504683 798104154 /nfs/dbraw/zinc/10/41/54/798104154.db2.gz XWGLXKUVCIZRIK-PKOBYXMFSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001110193863 798404421 /nfs/dbraw/zinc/40/44/21/798404421.db2.gz BRTPIMQCKVZBDH-QYZOEREBSA-N 2 1 327.472 2.416 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001110193863 798404425 /nfs/dbraw/zinc/40/44/25/798404425.db2.gz BRTPIMQCKVZBDH-QYZOEREBSA-N 2 1 327.472 2.416 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110193863 798404432 /nfs/dbraw/zinc/40/44/32/798404432.db2.gz BRTPIMQCKVZBDH-QYZOEREBSA-N 2 1 327.472 2.416 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110193863 798404437 /nfs/dbraw/zinc/40/44/37/798404437.db2.gz BRTPIMQCKVZBDH-QYZOEREBSA-N 2 1 327.472 2.416 20 30 EEEDMP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565133 798499104 /nfs/dbraw/zinc/49/91/04/798499104.db2.gz STYRXORLDNLFDS-QUCCMNQESA-N 2 1 341.499 2.254 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001177061441 798721876 /nfs/dbraw/zinc/72/18/76/798721876.db2.gz LTDKIPCKTMCROE-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001177061441 798721880 /nfs/dbraw/zinc/72/18/80/798721880.db2.gz LTDKIPCKTMCROE-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001112586083 806697979 /nfs/dbraw/zinc/69/79/79/806697979.db2.gz GMGGZGGZBJXWIP-ZVDOUQERSA-N 2 1 339.483 2.141 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCn2ncc(CNC(=O)[C@@H](CC)[NH+](C)C)c2C1 ZINC001128396484 799201889 /nfs/dbraw/zinc/20/18/89/799201889.db2.gz DBRWDFQAYQXAKD-NVXWUHKLSA-N 2 1 347.507 2.010 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCn2ncc(CNC(=O)[C@@H](CC)[NH+](C)C)c2C1 ZINC001128396484 799201897 /nfs/dbraw/zinc/20/18/97/799201897.db2.gz DBRWDFQAYQXAKD-NVXWUHKLSA-N 2 1 347.507 2.010 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H]1C ZINC001179976083 800194188 /nfs/dbraw/zinc/19/41/88/800194188.db2.gz HNBUDAVWBDMUBU-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001183040555 801436320 /nfs/dbraw/zinc/43/63/20/801436320.db2.gz SSZSOIVQZVETLW-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094795 801578551 /nfs/dbraw/zinc/57/85/51/801578551.db2.gz JQKLIHOXOVIMPA-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094795 801578556 /nfs/dbraw/zinc/57/85/56/801578556.db2.gz JQKLIHOXOVIMPA-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033094795 801578562 /nfs/dbraw/zinc/57/85/62/801578562.db2.gz JQKLIHOXOVIMPA-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033094795 801578569 /nfs/dbraw/zinc/57/85/69/801578569.db2.gz JQKLIHOXOVIMPA-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591106 801597136 /nfs/dbraw/zinc/59/71/36/801597136.db2.gz OCTFONDJIIKIAP-FCGDIQPGSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946591106 801597140 /nfs/dbraw/zinc/59/71/40/801597140.db2.gz OCTFONDJIIKIAP-FCGDIQPGSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591106 801597146 /nfs/dbraw/zinc/59/71/46/801597146.db2.gz OCTFONDJIIKIAP-FCGDIQPGSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001004460547 802129628 /nfs/dbraw/zinc/12/96/28/802129628.db2.gz ZUELVBLWEMCCMB-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004460547 802129633 /nfs/dbraw/zinc/12/96/33/802129633.db2.gz ZUELVBLWEMCCMB-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004460547 802129638 /nfs/dbraw/zinc/12/96/38/802129638.db2.gz ZUELVBLWEMCCMB-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([C@H]3CCCN3CC#N)CC2)C1 ZINC001004529213 802324068 /nfs/dbraw/zinc/32/40/68/802324068.db2.gz RCIJMZOYIONMFK-RBUKOAKNSA-N 2 1 346.519 2.335 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004549286 802351337 /nfs/dbraw/zinc/35/13/37/802351337.db2.gz XDSIBZYDUCJLBW-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001004549286 802351341 /nfs/dbraw/zinc/35/13/41/802351341.db2.gz XDSIBZYDUCJLBW-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001004549286 802351351 /nfs/dbraw/zinc/35/13/51/802351351.db2.gz XDSIBZYDUCJLBW-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662989 802724338 /nfs/dbraw/zinc/72/43/38/802724338.db2.gz VFAQJFKUGFBXEZ-HDICACEKSA-N 2 1 336.439 2.142 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCn2ncc(CNC(=O)CC[N@@H+](C)CC)c2C1 ZINC001128544560 802873542 /nfs/dbraw/zinc/87/35/42/802873542.db2.gz PQAFKUDQIWLKHT-MRXNPFEDSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCn2ncc(CNC(=O)CC[N@H+](C)CC)c2C1 ZINC001128544560 802873546 /nfs/dbraw/zinc/87/35/46/802873546.db2.gz PQAFKUDQIWLKHT-MRXNPFEDSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCn2ncc(CNC(=O)CC[NH+](C)CC)c2C1 ZINC001128544560 802873553 /nfs/dbraw/zinc/87/35/53/802873553.db2.gz PQAFKUDQIWLKHT-MRXNPFEDSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCn2ncc(CNC(=O)CC[NH+](C)CC)c2C1 ZINC001128544560 802873556 /nfs/dbraw/zinc/87/35/56/802873556.db2.gz PQAFKUDQIWLKHT-MRXNPFEDSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399456 805410438 /nfs/dbraw/zinc/41/04/38/805410438.db2.gz KPXLMMWDKXDYPI-RDGPPVDQSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399456 805410439 /nfs/dbraw/zinc/41/04/39/805410439.db2.gz KPXLMMWDKXDYPI-RDGPPVDQSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399456 805410441 /nfs/dbraw/zinc/41/04/41/805410441.db2.gz KPXLMMWDKXDYPI-RDGPPVDQSA-N 2 1 349.519 2.173 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001437988522 1090585155 /nfs/dbraw/zinc/58/51/55/1090585155.db2.gz PULZNXSAIAJKJP-MRXNPFEDSA-N 2 1 327.900 2.251 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438553374 1091045667 /nfs/dbraw/zinc/04/56/67/1091045667.db2.gz QGNIMJWUXVEXFR-VQIMIIECSA-N 2 1 342.487 2.275 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438959260 1091652088 /nfs/dbraw/zinc/65/20/88/1091652088.db2.gz HZAZWLFIIZOFNB-OALUTQOASA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001499986350 1112567241 /nfs/dbraw/zinc/56/72/41/1112567241.db2.gz KHKHGZMBFBOOAD-AWEZNQCLSA-N 2 1 333.879 2.390 20 30 EEEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000491625620 246086355 /nfs/dbraw/zinc/08/63/55/246086355.db2.gz KQWITJBQMOXAND-KRWDZBQOSA-N 2 1 327.472 2.148 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000491814734 246164868 /nfs/dbraw/zinc/16/48/68/246164868.db2.gz NTFIPMATJXNJJH-LJQANCHMSA-N 2 1 326.440 2.124 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000491814734 246164870 /nfs/dbraw/zinc/16/48/70/246164870.db2.gz NTFIPMATJXNJJH-LJQANCHMSA-N 2 1 326.440 2.124 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000491787493 246151223 /nfs/dbraw/zinc/15/12/23/246151223.db2.gz QPNDGIAARVXQIZ-GOSISDBHSA-N 2 1 326.440 2.124 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000491787493 246151227 /nfs/dbraw/zinc/15/12/27/246151227.db2.gz QPNDGIAARVXQIZ-GOSISDBHSA-N 2 1 326.440 2.124 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000296526517 465222944 /nfs/dbraw/zinc/22/29/44/465222944.db2.gz ZXVSCSWUUKRLLM-UHFFFAOYSA-N 2 1 344.503 2.283 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000296936128 465240360 /nfs/dbraw/zinc/24/03/60/465240360.db2.gz PGXJJAOMRGEPCB-IBGZPJMESA-N 2 1 342.487 2.078 20 30 EEEDMP C#CCNC(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161193597 463409457 /nfs/dbraw/zinc/40/94/57/463409457.db2.gz ZHVAWGZYZDXXJS-INIZCTEOSA-N 2 1 342.487 2.014 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000491699782 468362696 /nfs/dbraw/zinc/36/26/96/468362696.db2.gz CQFRKAWKCYEAKE-GJZGRUSLSA-N 2 1 330.419 2.288 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000491699782 468362698 /nfs/dbraw/zinc/36/26/98/468362698.db2.gz CQFRKAWKCYEAKE-GJZGRUSLSA-N 2 1 330.419 2.288 20 30 EEEDMP COc1ccc(CCNC(=[NH2+])NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000264069233 464279486 /nfs/dbraw/zinc/27/94/86/464279486.db2.gz CSEIPBSNCCCNAH-QGZVFWFLSA-N 2 1 332.492 2.262 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000181338834 464474949 /nfs/dbraw/zinc/47/49/49/464474949.db2.gz WCTWUYIOHVBDLH-KRWDZBQOSA-N 2 1 344.503 2.457 20 30 EEEDMP CCC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190619619 464688709 /nfs/dbraw/zinc/68/87/09/464688709.db2.gz FXGZDPASUQABQW-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2ccc(F)cc12 ZINC000267476429 464934496 /nfs/dbraw/zinc/93/44/96/464934496.db2.gz ZJDLKTHANLVLPN-OAHLLOKOSA-N 2 1 331.439 2.238 20 30 EEEDMP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000329939961 465479997 /nfs/dbraw/zinc/47/99/97/465479997.db2.gz FWZZXJYWRXMDBX-DOMZBBRYSA-N 2 1 330.436 2.405 20 30 EEEDMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330233456 465580562 /nfs/dbraw/zinc/58/05/62/465580562.db2.gz SCEOCOMDHTVDNB-KURKYZTESA-N 2 1 335.492 2.338 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424181654 466998284 /nfs/dbraw/zinc/99/82/84/466998284.db2.gz ROFNHILNEYBHSX-FUHWJXTLSA-N 2 1 328.460 2.131 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC(C)(C)C#N)CC2)CC1 ZINC000566461118 468151821 /nfs/dbraw/zinc/15/18/21/468151821.db2.gz FSADUFMUWOJGPB-UHFFFAOYSA-N 2 1 334.508 2.191 20 30 EEEDMP COc1c(N)ncnc1NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000594586877 468627941 /nfs/dbraw/zinc/62/79/41/468627941.db2.gz LGZIIEQMFXPEST-UHFFFAOYSA-N 2 1 338.415 2.016 20 30 EEEDMP N#CC[C@H]1CCCN(CC2(C[N@H+]3CCC[C@H](CC#N)C3)COC2)C1 ZINC000595619823 468925936 /nfs/dbraw/zinc/92/59/36/468925936.db2.gz HDZJJHBZSMMANO-QZTJIDSGSA-N 2 1 330.476 2.254 20 30 EEEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511677 468991515 /nfs/dbraw/zinc/99/15/15/468991515.db2.gz GCIFKRKLCWIIPJ-OALUTQOASA-N 2 1 345.487 2.156 20 30 EEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511677 468991523 /nfs/dbraw/zinc/99/15/23/468991523.db2.gz GCIFKRKLCWIIPJ-OALUTQOASA-N 2 1 345.487 2.156 20 30 EEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511677 468991536 /nfs/dbraw/zinc/99/15/36/468991536.db2.gz GCIFKRKLCWIIPJ-OALUTQOASA-N 2 1 345.487 2.156 20 30 EEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511677 468991545 /nfs/dbraw/zinc/99/15/45/468991545.db2.gz GCIFKRKLCWIIPJ-OALUTQOASA-N 2 1 345.487 2.156 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139216 675643174 /nfs/dbraw/zinc/64/31/74/675643174.db2.gz FRMGWRRJFDPRTG-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039139216 675643175 /nfs/dbraw/zinc/64/31/75/675643175.db2.gz FRMGWRRJFDPRTG-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039139216 675643176 /nfs/dbraw/zinc/64/31/76/675643176.db2.gz FRMGWRRJFDPRTG-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001021096329 675728980 /nfs/dbraw/zinc/72/89/80/675728980.db2.gz NZMQLNTWBQWROP-GUDVDZBRSA-N 2 1 340.471 2.169 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671657 676326991 /nfs/dbraw/zinc/32/69/91/676326991.db2.gz UWLLKQPNLMRTHQ-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021671657 676326992 /nfs/dbraw/zinc/32/69/92/676326992.db2.gz UWLLKQPNLMRTHQ-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021671657 676326993 /nfs/dbraw/zinc/32/69/93/676326993.db2.gz UWLLKQPNLMRTHQ-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001022165749 676713187 /nfs/dbraw/zinc/71/31/87/676713187.db2.gz DVHWVKGVJVZGBI-JKIFEVAISA-N 2 1 346.500 2.231 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)n3ccnc3)C2)C1 ZINC000972574237 679332403 /nfs/dbraw/zinc/33/24/03/679332403.db2.gz XOMLPVCRBVLNMX-HKUYNNGSSA-N 2 1 346.475 2.104 20 30 EEEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001024618232 681285975 /nfs/dbraw/zinc/28/59/75/681285975.db2.gz RTJISMLWQIPDSQ-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024732947 681395406 /nfs/dbraw/zinc/39/54/06/681395406.db2.gz GVAVMZGEVPXHAQ-QGZVFWFLSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024732947 681395411 /nfs/dbraw/zinc/39/54/11/681395411.db2.gz GVAVMZGEVPXHAQ-QGZVFWFLSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754988 682101664 /nfs/dbraw/zinc/10/16/64/682101664.db2.gz DPAGOBKOAXHNEK-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028754988 682101666 /nfs/dbraw/zinc/10/16/66/682101666.db2.gz DPAGOBKOAXHNEK-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028754988 682101669 /nfs/dbraw/zinc/10/16/69/682101669.db2.gz DPAGOBKOAXHNEK-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC000992704649 683283647 /nfs/dbraw/zinc/28/36/47/683283647.db2.gz CHTJSYCYXONFOL-USXIJHARSA-N 2 1 339.911 2.440 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000983902550 683746140 /nfs/dbraw/zinc/74/61/40/683746140.db2.gz UETXCTBMWVPXGX-UFYCRDLUSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000983902550 683746144 /nfs/dbraw/zinc/74/61/44/683746144.db2.gz UETXCTBMWVPXGX-UFYCRDLUSA-N 2 1 339.483 2.077 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]12 ZINC001026283729 684190576 /nfs/dbraw/zinc/19/05/76/684190576.db2.gz LRGJAHZWIGGYTE-VNQPRFMTSA-N 2 1 325.884 2.050 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3cc([C@@H]4CCCN4C)n[nH]3)CCC[C@H]12 ZINC000990812656 693895978 /nfs/dbraw/zinc/89/59/78/693895978.db2.gz DQWLYDFVPCYHPP-JENIJYKNSA-N 2 1 343.475 2.089 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598446 685113843 /nfs/dbraw/zinc/11/38/43/685113843.db2.gz CIWFKVCTKWATSD-PKOBYXMFSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974679259 685216021 /nfs/dbraw/zinc/21/60/21/685216021.db2.gz GSTGLXJNTWLNMG-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974679259 685216023 /nfs/dbraw/zinc/21/60/23/685216023.db2.gz GSTGLXJNTWLNMG-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974679259 685216027 /nfs/dbraw/zinc/21/60/27/685216027.db2.gz GSTGLXJNTWLNMG-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974679259 685216029 /nfs/dbraw/zinc/21/60/29/685216029.db2.gz GSTGLXJNTWLNMG-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCc1ccc(Cl)cc1 ZINC000124871972 686141592 /nfs/dbraw/zinc/14/15/92/686141592.db2.gz JGQPPICBWXTLMJ-INIZCTEOSA-N 2 1 338.883 2.245 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000985469905 686963035 /nfs/dbraw/zinc/96/30/35/686963035.db2.gz KRHRGJWIZRRKOJ-HNNXBMFYSA-N 2 1 336.867 2.436 20 30 EEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000985469905 686963037 /nfs/dbraw/zinc/96/30/37/686963037.db2.gz KRHRGJWIZRRKOJ-HNNXBMFYSA-N 2 1 336.867 2.436 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001029843602 687297967 /nfs/dbraw/zinc/29/79/67/687297967.db2.gz KSFVSROZUIQERW-APWZRJJASA-N 2 1 342.487 2.179 20 30 EEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000985729019 687573138 /nfs/dbraw/zinc/57/31/38/687573138.db2.gz HEYKGNPAIOCBOF-UHFFFAOYSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000985729019 687573142 /nfs/dbraw/zinc/57/31/42/687573142.db2.gz HEYKGNPAIOCBOF-UHFFFAOYSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001088382291 1186754941 /nfs/dbraw/zinc/75/49/41/1186754941.db2.gz YMPWNRLCYYXVLN-GDBMZVCRSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001088394018 1186782624 /nfs/dbraw/zinc/78/26/24/1186782624.db2.gz TVMSFEJEIVWPSS-QGZVFWFLSA-N 2 1 330.476 2.391 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076247816 1188803004 /nfs/dbraw/zinc/80/30/04/1188803004.db2.gz HJAJOHIZYFXGCX-RBUKOAKNSA-N 2 1 327.472 2.123 20 30 EEEDMP CCCCCCCC[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272478892 1190844156 /nfs/dbraw/zinc/84/41/56/1190844156.db2.gz RMOZHLIHRVOMMY-IBGZPJMESA-N 2 1 339.524 2.212 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C ZINC001483916158 1191115523 /nfs/dbraw/zinc/11/55/23/1191115523.db2.gz MCIBQPHQGQXJPP-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CCCC1 ZINC001484000745 1191150600 /nfs/dbraw/zinc/15/06/00/1191150600.db2.gz JFDPVBHWPPGRPW-MRXNPFEDSA-N 2 1 327.900 2.488 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C#N)cc1 ZINC001485072662 1191642734 /nfs/dbraw/zinc/64/27/34/1191642734.db2.gz JIXYLPYOMRVPJI-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001485072662 1191642737 /nfs/dbraw/zinc/64/27/37/1191642737.db2.gz JIXYLPYOMRVPJI-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001485072662 1191642738 /nfs/dbraw/zinc/64/27/38/1191642738.db2.gz JIXYLPYOMRVPJI-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001486183357 1193722387 /nfs/dbraw/zinc/72/23/87/1193722387.db2.gz GSKMPHNDTQEVAV-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001486183357 1193722390 /nfs/dbraw/zinc/72/23/90/1193722390.db2.gz GSKMPHNDTQEVAV-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001486183357 1193722396 /nfs/dbraw/zinc/72/23/96/1193722396.db2.gz GSKMPHNDTQEVAV-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818018 1194440966 /nfs/dbraw/zinc/44/09/66/1194440966.db2.gz ALYBXPBUGGNMJF-YRPNKDGESA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818018 1194440969 /nfs/dbraw/zinc/44/09/69/1194440969.db2.gz ALYBXPBUGGNMJF-YRPNKDGESA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818018 1194440972 /nfs/dbraw/zinc/44/09/72/1194440972.db2.gz ALYBXPBUGGNMJF-YRPNKDGESA-N 2 1 343.515 2.197 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001128779318 1195484805 /nfs/dbraw/zinc/48/48/05/1195484805.db2.gz SDVDMXJMBNJLLL-GOSISDBHSA-N 2 1 347.890 2.272 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033958870 1195560561 /nfs/dbraw/zinc/56/05/61/1195560561.db2.gz RKGHUIWKGPTGBD-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033958870 1195560562 /nfs/dbraw/zinc/56/05/62/1195560562.db2.gz RKGHUIWKGPTGBD-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001034003437 1195645154 /nfs/dbraw/zinc/64/51/54/1195645154.db2.gz DCUVHODBZWGVEI-IBGZPJMESA-N 2 1 336.439 2.432 20 30 EEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001034404219 1196196992 /nfs/dbraw/zinc/19/69/92/1196196992.db2.gz HXEBAGRGEFDOHP-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034404219 1196196997 /nfs/dbraw/zinc/19/69/97/1196196997.db2.gz HXEBAGRGEFDOHP-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034664033 1196475214 /nfs/dbraw/zinc/47/52/14/1196475214.db2.gz SMDVOJJYBZBQSH-BZSNNMDCSA-N 2 1 345.512 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034664033 1196475217 /nfs/dbraw/zinc/47/52/17/1196475217.db2.gz SMDVOJJYBZBQSH-BZSNNMDCSA-N 2 1 345.512 2.363 20 30 EEEDMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccccc1C#N ZINC001134613571 1199690707 /nfs/dbraw/zinc/69/07/07/1199690707.db2.gz WEVMYWCWRNKTBH-CVEARBPZSA-N 2 1 342.487 2.415 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133165553 1200539052 /nfs/dbraw/zinc/53/90/52/1200539052.db2.gz JCEYCBDGFCLQNV-SJLPKXTDSA-N 2 1 330.476 2.069 20 30 EEEDMP CC[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129319642 1201783020 /nfs/dbraw/zinc/78/30/20/1201783020.db2.gz ZTDUKQBEHREQLZ-SMDDNHRTSA-N 2 1 335.521 2.440 20 30 EEEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001274491899 1205057004 /nfs/dbraw/zinc/05/70/04/1205057004.db2.gz CGHMIDPEOADFOO-RTBURBONSA-N 2 1 343.446 2.086 20 30 EEEDMP COc1cc(C#N)ccc1C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001276086283 1205770312 /nfs/dbraw/zinc/77/03/12/1205770312.db2.gz CNCDWCSHOSRKJS-UHFFFAOYSA-N 2 1 342.487 2.026 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095772666 1208505175 /nfs/dbraw/zinc/50/51/75/1208505175.db2.gz ZXYRSSNOMOUODX-HFTRVMKXSA-N 2 1 328.460 2.060 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095772666 1208505176 /nfs/dbraw/zinc/50/51/76/1208505176.db2.gz ZXYRSSNOMOUODX-HFTRVMKXSA-N 2 1 328.460 2.060 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947536008 1208610438 /nfs/dbraw/zinc/61/04/38/1208610438.db2.gz BZPXCAQWULTTSB-HZPDHXFCSA-N 2 1 339.443 2.426 20 30 EEEDMP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCCCCC1 ZINC000190537273 1209906770 /nfs/dbraw/zinc/90/67/70/1209906770.db2.gz DNCUNAYFKAAKRG-IBGZPJMESA-N 2 1 344.503 2.468 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001015713597 1225586457 /nfs/dbraw/zinc/58/64/57/1225586457.db2.gz PDNPOYWBTHGNND-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015713597 1225586461 /nfs/dbraw/zinc/58/64/61/1225586461.db2.gz PDNPOYWBTHGNND-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015713597 1225586465 /nfs/dbraw/zinc/58/64/65/1225586465.db2.gz PDNPOYWBTHGNND-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)Oc1ccccc1F ZINC000304667638 1216083107 /nfs/dbraw/zinc/08/31/07/1216083107.db2.gz BMKKDXZNZLVUTP-GJZGRUSLSA-N 2 1 336.455 2.372 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961188716 1217077457 /nfs/dbraw/zinc/07/74/57/1217077457.db2.gz XOBBHUWEWBFTJD-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188716 1217077459 /nfs/dbraw/zinc/07/74/59/1217077459.db2.gz XOBBHUWEWBFTJD-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188716 1217077461 /nfs/dbraw/zinc/07/74/61/1217077461.db2.gz XOBBHUWEWBFTJD-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961275018 1217122947 /nfs/dbraw/zinc/12/29/47/1217122947.db2.gz SWKSMDMZSQAFTP-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000961367006 1217160642 /nfs/dbraw/zinc/16/06/42/1217160642.db2.gz KPXXAOQIIBKHFC-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961367006 1217160643 /nfs/dbraw/zinc/16/06/43/1217160643.db2.gz KPXXAOQIIBKHFC-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961367006 1217160645 /nfs/dbraw/zinc/16/06/45/1217160645.db2.gz KPXXAOQIIBKHFC-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961419655 1217183299 /nfs/dbraw/zinc/18/32/99/1217183299.db2.gz IALHRMVDIZAXAZ-HXUWFJFHSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000968956453 1221700388 /nfs/dbraw/zinc/70/03/88/1221700388.db2.gz LZCSHVXZGWLWOO-RLLQIKCJSA-N 2 1 339.483 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000968956453 1221700392 /nfs/dbraw/zinc/70/03/92/1221700392.db2.gz LZCSHVXZGWLWOO-RLLQIKCJSA-N 2 1 339.483 2.344 20 30 EEEDMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001008407110 1222815364 /nfs/dbraw/zinc/81/53/64/1222815364.db2.gz QFUKTMIFYMHOQM-OAHLLOKOSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001008407110 1222815369 /nfs/dbraw/zinc/81/53/69/1222815369.db2.gz QFUKTMIFYMHOQM-OAHLLOKOSA-N 2 1 346.500 2.042 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016702185 1226797648 /nfs/dbraw/zinc/79/76/48/1226797648.db2.gz LUOIMMKNCQZSGW-ZWKOTPCHSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001020250691 1229582993 /nfs/dbraw/zinc/58/29/93/1229582993.db2.gz LIAMZLUSIVKJBT-UFYCRDLUSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001020250691 1229582997 /nfs/dbraw/zinc/58/29/97/1229582997.db2.gz LIAMZLUSIVKJBT-UFYCRDLUSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)c2ccccc2)CC1 ZINC001039041534 1230257671 /nfs/dbraw/zinc/25/76/71/1230257671.db2.gz FAWPSJTWXLOIQM-PXNSSMCTSA-N 2 1 339.483 2.283 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039145254 1230364076 /nfs/dbraw/zinc/36/40/76/1230364076.db2.gz XVDGJOFCQULLBI-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039145254 1230364080 /nfs/dbraw/zinc/36/40/80/1230364080.db2.gz XVDGJOFCQULLBI-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167415 1230390756 /nfs/dbraw/zinc/39/07/56/1230390756.db2.gz TVLOSKIZNGRZCA-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167415 1230390759 /nfs/dbraw/zinc/39/07/59/1230390759.db2.gz TVLOSKIZNGRZCA-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167415 1230390762 /nfs/dbraw/zinc/39/07/62/1230390762.db2.gz TVLOSKIZNGRZCA-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235689 1230469038 /nfs/dbraw/zinc/46/90/38/1230469038.db2.gz ZEDUUFYADLPKSW-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699935 1231340102 /nfs/dbraw/zinc/34/01/02/1231340102.db2.gz FNTDYSGROFLSJK-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041349499 1231515383 /nfs/dbraw/zinc/51/53/83/1231515383.db2.gz PFDDVVSTDQVNHO-ICSRJNTNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349499 1231515386 /nfs/dbraw/zinc/51/53/86/1231515386.db2.gz PFDDVVSTDQVNHO-ICSRJNTNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349499 1231515389 /nfs/dbraw/zinc/51/53/89/1231515389.db2.gz PFDDVVSTDQVNHO-ICSRJNTNSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041357420 1231518850 /nfs/dbraw/zinc/51/88/50/1231518850.db2.gz HHYXRFJUQQOSPE-FPOVZHCZSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357420 1231518851 /nfs/dbraw/zinc/51/88/51/1231518851.db2.gz HHYXRFJUQQOSPE-FPOVZHCZSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357420 1231518853 /nfs/dbraw/zinc/51/88/53/1231518853.db2.gz HHYXRFJUQQOSPE-FPOVZHCZSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844924 1231728217 /nfs/dbraw/zinc/72/82/17/1231728217.db2.gz PMAQKGHSLGBTJI-NRFANRHFSA-N 2 1 339.483 2.310 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042205586 1231955916 /nfs/dbraw/zinc/95/59/16/1231955916.db2.gz XXARPRRXUZEXDV-RDJZCZTQSA-N 2 1 331.460 2.454 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042205586 1231955920 /nfs/dbraw/zinc/95/59/20/1231955920.db2.gz XXARPRRXUZEXDV-RDJZCZTQSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042205637 1231956128 /nfs/dbraw/zinc/95/61/28/1231956128.db2.gz YPWGMRBFPLFQMS-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042205637 1231956130 /nfs/dbraw/zinc/95/61/30/1231956130.db2.gz YPWGMRBFPLFQMS-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234929 1231973925 /nfs/dbraw/zinc/97/39/25/1231973925.db2.gz PPIXBUUTTXSRAB-HZPDHXFCSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234929 1231973927 /nfs/dbraw/zinc/97/39/27/1231973927.db2.gz PPIXBUUTTXSRAB-HZPDHXFCSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234929 1231973930 /nfs/dbraw/zinc/97/39/30/1231973930.db2.gz PPIXBUUTTXSRAB-HZPDHXFCSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234929 1231973932 /nfs/dbraw/zinc/97/39/32/1231973932.db2.gz PPIXBUUTTXSRAB-HZPDHXFCSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001044684899 1233177044 /nfs/dbraw/zinc/17/70/44/1233177044.db2.gz LWOCYJBVALJAJR-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](C)CC)CC1 ZINC001045895204 1234127213 /nfs/dbraw/zinc/12/72/13/1234127213.db2.gz AOIAJDOMKFHDNC-SXLOBPIMSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=C)Cl)CC1 ZINC001045895862 1234127566 /nfs/dbraw/zinc/12/75/66/1234127566.db2.gz RAGMTWBYVLBZRC-MSOLQXFVSA-N 2 1 349.906 2.149 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=C)Cl)CC1 ZINC001045895862 1234127568 /nfs/dbraw/zinc/12/75/68/1234127568.db2.gz RAGMTWBYVLBZRC-MSOLQXFVSA-N 2 1 349.906 2.149 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045962901 1234239564 /nfs/dbraw/zinc/23/95/64/1234239564.db2.gz RYMVTPCNBULHGQ-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]cn1)C2 ZINC001045973509 1234258496 /nfs/dbraw/zinc/25/84/96/1234258496.db2.gz SCQHXTDAPNCKNK-APWZRJJASA-N 2 1 330.476 2.479 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001045973509 1234258499 /nfs/dbraw/zinc/25/84/99/1234258499.db2.gz SCQHXTDAPNCKNK-APWZRJJASA-N 2 1 330.476 2.479 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001045973509 1234258502 /nfs/dbraw/zinc/25/85/02/1234258502.db2.gz SCQHXTDAPNCKNK-APWZRJJASA-N 2 1 330.476 2.479 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045980396 1234270835 /nfs/dbraw/zinc/27/08/35/1234270835.db2.gz XLWQYUBGWXYKDM-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980396 1234270836 /nfs/dbraw/zinc/27/08/36/1234270836.db2.gz XLWQYUBGWXYKDM-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980396 1234270838 /nfs/dbraw/zinc/27/08/38/1234270838.db2.gz XLWQYUBGWXYKDM-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045984654 1234279730 /nfs/dbraw/zinc/27/97/30/1234279730.db2.gz GAQGFOCSMAIBRZ-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045984654 1234279734 /nfs/dbraw/zinc/27/97/34/1234279734.db2.gz GAQGFOCSMAIBRZ-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046937293 1235328268 /nfs/dbraw/zinc/32/82/68/1235328268.db2.gz HRAYQICZMRRYBK-HUUCEWRRSA-N 2 1 329.435 2.119 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046937293 1235328272 /nfs/dbraw/zinc/32/82/72/1235328272.db2.gz HRAYQICZMRRYBK-HUUCEWRRSA-N 2 1 329.435 2.119 20 30 EEEDMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046941059 1235332923 /nfs/dbraw/zinc/33/29/23/1235332923.db2.gz GAERWUBIXLNQBP-OWCLPIDISA-N 2 1 343.462 2.366 20 30 EEEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046941059 1235332924 /nfs/dbraw/zinc/33/29/24/1235332924.db2.gz GAERWUBIXLNQBP-OWCLPIDISA-N 2 1 343.462 2.366 20 30 EEEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046941059 1235332926 /nfs/dbraw/zinc/33/29/26/1235332926.db2.gz GAERWUBIXLNQBP-OWCLPIDISA-N 2 1 343.462 2.366 20 30 EEEDMP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001048626016 1238135234 /nfs/dbraw/zinc/13/52/34/1238135234.db2.gz UYLPISLRIKFDAO-LJQANCHMSA-N 2 1 342.487 2.155 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048827747 1238760406 /nfs/dbraw/zinc/76/04/06/1238760406.db2.gz DVSLAAFWCBGJIB-YESZJQIVSA-N 2 1 330.476 2.363 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048827747 1238760413 /nfs/dbraw/zinc/76/04/13/1238760413.db2.gz DVSLAAFWCBGJIB-YESZJQIVSA-N 2 1 330.476 2.363 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000776873 1240920367 /nfs/dbraw/zinc/92/03/67/1240920367.db2.gz MNXSNVFJSQDPFL-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001000776873 1240920377 /nfs/dbraw/zinc/92/03/77/1240920377.db2.gz MNXSNVFJSQDPFL-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001000776873 1240920385 /nfs/dbraw/zinc/92/03/85/1240920385.db2.gz MNXSNVFJSQDPFL-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049600336 1241602581 /nfs/dbraw/zinc/60/25/81/1241602581.db2.gz ZVUILLWJOMLLSK-RTBURBONSA-N 2 1 342.487 2.403 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049600336 1241602591 /nfs/dbraw/zinc/60/25/91/1241602591.db2.gz ZVUILLWJOMLLSK-RTBURBONSA-N 2 1 342.487 2.403 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001049720688 1241989602 /nfs/dbraw/zinc/98/96/02/1241989602.db2.gz SJHPMXIDJUTNNB-MSOLQXFVSA-N 2 1 344.459 2.135 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001049720688 1241989607 /nfs/dbraw/zinc/98/96/07/1241989607.db2.gz SJHPMXIDJUTNNB-MSOLQXFVSA-N 2 1 344.459 2.135 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCC(C)C)CC1 ZINC001049917477 1242703015 /nfs/dbraw/zinc/70/30/15/1242703015.db2.gz HSLGFNLMTRNQAA-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604448 1242774639 /nfs/dbraw/zinc/77/46/39/1242774639.db2.gz JIYKZUZUABBCPC-QYZOEREBSA-N 2 1 325.456 2.107 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604448 1242774647 /nfs/dbraw/zinc/77/46/47/1242774647.db2.gz JIYKZUZUABBCPC-QYZOEREBSA-N 2 1 325.456 2.107 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCF)CC1 ZINC001111455056 1244596916 /nfs/dbraw/zinc/59/69/16/1244596916.db2.gz KNAHZVSLMGRCKU-QRVBRYPASA-N 2 1 349.494 2.193 20 30 EEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731278 1244859670 /nfs/dbraw/zinc/85/96/70/1244859670.db2.gz NSDXJTALYUCLLV-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731278 1244859677 /nfs/dbraw/zinc/85/96/77/1244859677.db2.gz NSDXJTALYUCLLV-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731278 1244859689 /nfs/dbraw/zinc/85/96/89/1244859689.db2.gz NSDXJTALYUCLLV-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029532 1245713148 /nfs/dbraw/zinc/71/31/48/1245713148.db2.gz SRCXQDANJBIREA-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029532 1245713155 /nfs/dbraw/zinc/71/31/55/1245713155.db2.gz SRCXQDANJBIREA-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029532 1245713165 /nfs/dbraw/zinc/71/31/65/1245713165.db2.gz SRCXQDANJBIREA-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431188 1245814622 /nfs/dbraw/zinc/81/46/22/1245814622.db2.gz CDJYNLYYOQURAH-LMMKCTJWSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054223684 1247765157 /nfs/dbraw/zinc/76/51/57/1247765157.db2.gz ZJTAUUCDTWEVPK-FQEVSTJZSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071828787 1254691756 /nfs/dbraw/zinc/69/17/56/1254691756.db2.gz UHZXBSWSFYFINO-FXAWDEMLSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072826270 1255415408 /nfs/dbraw/zinc/41/54/08/1255415408.db2.gz OSFMKMWYCQBZPT-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072826270 1255415415 /nfs/dbraw/zinc/41/54/15/1255415415.db2.gz OSFMKMWYCQBZPT-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072826270 1255415419 /nfs/dbraw/zinc/41/54/19/1255415419.db2.gz OSFMKMWYCQBZPT-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072826270 1255415423 /nfs/dbraw/zinc/41/54/23/1255415423.db2.gz OSFMKMWYCQBZPT-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001074880719 1257190427 /nfs/dbraw/zinc/19/04/27/1257190427.db2.gz VOWAOZGNOLREFD-MPGHIAIKSA-N 2 1 325.472 2.354 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099241352 1258028922 /nfs/dbraw/zinc/02/89/22/1258028922.db2.gz ZFVWXWIMJHLZCH-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099241352 1258028932 /nfs/dbraw/zinc/02/89/32/1258028932.db2.gz ZFVWXWIMJHLZCH-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099241352 1258028940 /nfs/dbraw/zinc/02/89/40/1258028940.db2.gz ZFVWXWIMJHLZCH-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099260189 1258046488 /nfs/dbraw/zinc/04/64/88/1258046488.db2.gz ALUYTCHZDFOQLC-MCIONIFRSA-N 2 1 333.398 2.026 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001188158487 1279790436 /nfs/dbraw/zinc/79/04/36/1279790436.db2.gz PZCSEQASZNQRFD-QGZVFWFLSA-N 2 1 347.890 2.222 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151953 1280156742 /nfs/dbraw/zinc/15/67/42/1280156742.db2.gz WKAUWDGHWPXVJW-VQTJNVASSA-N 2 1 341.499 2.270 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151953 1280156748 /nfs/dbraw/zinc/15/67/48/1280156748.db2.gz WKAUWDGHWPXVJW-VQTJNVASSA-N 2 1 341.499 2.270 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151953 1280156754 /nfs/dbraw/zinc/15/67/54/1280156754.db2.gz WKAUWDGHWPXVJW-VQTJNVASSA-N 2 1 341.499 2.270 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151953 1280156757 /nfs/dbraw/zinc/15/67/57/1280156757.db2.gz WKAUWDGHWPXVJW-VQTJNVASSA-N 2 1 341.499 2.270 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCCCF)C[C@H]32)CC1 ZINC001190316949 1280788946 /nfs/dbraw/zinc/78/89/46/1280788946.db2.gz BLEMXINGSBNYCY-RBUKOAKNSA-N 2 1 349.494 2.004 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191988628 1281735258 /nfs/dbraw/zinc/73/52/58/1281735258.db2.gz MJRDOHNCDWBOCZ-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191988628 1281735265 /nfs/dbraw/zinc/73/52/65/1281735265.db2.gz MJRDOHNCDWBOCZ-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CCC[NH2+][C@H](CNC(=O)CC[N@H+](C)CCC)c1ccccc1OC ZINC001198969935 1285451909 /nfs/dbraw/zinc/45/19/09/1285451909.db2.gz YYGPLTKPODYNNM-GOSISDBHSA-N 2 1 345.487 2.197 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213223998 1295942562 /nfs/dbraw/zinc/94/25/62/1295942562.db2.gz IWNPVICCLUZOIH-IAGOWNOFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734798 1296073316 /nfs/dbraw/zinc/07/33/16/1296073316.db2.gz QDJIXLBYNXCABA-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072734798 1296073322 /nfs/dbraw/zinc/07/33/22/1296073322.db2.gz QDJIXLBYNXCABA-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734798 1296073330 /nfs/dbraw/zinc/07/33/30/1296073330.db2.gz QDJIXLBYNXCABA-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214662208 1296549089 /nfs/dbraw/zinc/54/90/89/1296549089.db2.gz YUKOHZOPXOIQPK-BRWVUGGUSA-N 2 1 348.491 2.036 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215540799 1296934731 /nfs/dbraw/zinc/93/47/31/1296934731.db2.gz QGHBVHCUGINZKB-RKVPGOIHSA-N 2 1 325.472 2.212 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC001218715553 1297774833 /nfs/dbraw/zinc/77/48/33/1297774833.db2.gz JLKVEALKQZBBFY-CEXWTWQISA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CNC(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219879455 1298170747 /nfs/dbraw/zinc/17/07/47/1298170747.db2.gz GJZONWIHEIOLKJ-UYAOXDASSA-N 2 1 327.472 2.181 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C[C@H](C)O2 ZINC001098589738 1298639731 /nfs/dbraw/zinc/63/97/31/1298639731.db2.gz LHSQGXXKTXEBDR-ROUUACIJSA-N 2 1 349.519 2.127 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099349867 1299071306 /nfs/dbraw/zinc/07/13/06/1299071306.db2.gz UREXDHBNDQCLPS-QZTJIDSGSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099349867 1299071316 /nfs/dbraw/zinc/07/13/16/1299071316.db2.gz UREXDHBNDQCLPS-QZTJIDSGSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001223508093 1300159921 /nfs/dbraw/zinc/15/99/21/1300159921.db2.gz ZUDHSCVXRZRDHM-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001223508093 1300159923 /nfs/dbraw/zinc/15/99/23/1300159923.db2.gz ZUDHSCVXRZRDHM-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227792158 1301966906 /nfs/dbraw/zinc/96/69/06/1301966906.db2.gz LJSKXRUGXBGOOZ-LJQANCHMSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103090301 1302200884 /nfs/dbraw/zinc/20/08/84/1302200884.db2.gz QHGTWHIOEBDHBW-UKRRQHHQSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090301 1302200864 /nfs/dbraw/zinc/20/08/64/1302200864.db2.gz QHGTWHIOEBDHBW-UKRRQHHQSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103090301 1302200874 /nfs/dbraw/zinc/20/08/74/1302200874.db2.gz QHGTWHIOEBDHBW-UKRRQHHQSA-N 2 1 327.900 2.297 20 30 EEEDMP C[NH+](C)CCCCC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001230091439 1303052615 /nfs/dbraw/zinc/05/26/15/1303052615.db2.gz YOQTTZQNSAKZHH-UHFFFAOYSA-N 2 1 348.516 2.432 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001111754147 1303842624 /nfs/dbraw/zinc/84/26/24/1303842624.db2.gz OGSDHKAWHIIFHE-ZWOKBUDYSA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001111754147 1303842628 /nfs/dbraw/zinc/84/26/28/1303842628.db2.gz OGSDHKAWHIIFHE-ZWOKBUDYSA-N 2 1 342.487 2.391 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001115108277 1304690238 /nfs/dbraw/zinc/69/02/38/1304690238.db2.gz MCIGSJXZSVQYOA-XODKDNOYSA-N 2 1 341.499 2.476 20 30 EEEDMP C#CC[NH2+]C1(CNC(=O)C[N@@H+](C)CCc2ccccc2)CCCCC1 ZINC001115730994 1305684092 /nfs/dbraw/zinc/68/40/92/1305684092.db2.gz XBJHRHMVADLQIQ-UHFFFAOYSA-N 2 1 341.499 2.203 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001121288971 1309969732 /nfs/dbraw/zinc/96/97/32/1309969732.db2.gz MWXUVOSNSMQFPB-SWPKYLGISA-N 2 1 329.488 2.044 20 30 EEEDMP N#CC1(c2ccc(F)cc2)CCC(N2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1 ZINC001246623026 1310359426 /nfs/dbraw/zinc/35/94/26/1310359426.db2.gz IVBSOHLYKFAPMM-MHJFOBGBSA-N 2 1 342.462 2.167 20 30 EEEDMP COC(=O)[C@@H]1C[C@@H]([NH3+])C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246798323 1310432467 /nfs/dbraw/zinc/43/24/67/1310432467.db2.gz ROFVWUKFHKTOHJ-QGLXBCBXSA-N 2 1 341.455 2.407 20 30 EEEDMP COC(=O)[C@@H]1C[C@@H]([NH3+])C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246798323 1310432476 /nfs/dbraw/zinc/43/24/76/1310432476.db2.gz ROFVWUKFHKTOHJ-QGLXBCBXSA-N 2 1 341.455 2.407 20 30 EEEDMP C=CCC[C@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC001247621909 1310652452 /nfs/dbraw/zinc/65/24/52/1310652452.db2.gz BNXKGANFWHPRLD-INIZCTEOSA-N 2 1 327.432 2.454 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819268 1316892297 /nfs/dbraw/zinc/89/22/97/1316892297.db2.gz UYUJCSWBBKHDKV-QZTJIDSGSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001153819268 1316892300 /nfs/dbraw/zinc/89/23/00/1316892300.db2.gz UYUJCSWBBKHDKV-QZTJIDSGSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001153819268 1316892303 /nfs/dbraw/zinc/89/23/03/1316892303.db2.gz UYUJCSWBBKHDKV-QZTJIDSGSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252469007 1317609672 /nfs/dbraw/zinc/60/96/72/1317609672.db2.gz SZXPRCBMQYTRTN-UXHICEINSA-N 2 1 330.472 2.148 20 30 EEEDMP C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001258909848 1319371920 /nfs/dbraw/zinc/37/19/20/1319371920.db2.gz JSMWWZQJFWGSBL-SJLPKXTDSA-N 2 1 349.523 2.427 20 30 EEEDMP C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001258909848 1319371930 /nfs/dbraw/zinc/37/19/30/1319371930.db2.gz JSMWWZQJFWGSBL-SJLPKXTDSA-N 2 1 349.523 2.427 20 30 EEEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158949330 1319524897 /nfs/dbraw/zinc/52/48/97/1319524897.db2.gz KMOUVUTVBXKBMT-LJQANCHMSA-N 2 1 327.472 2.065 20 30 EEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158949330 1319524905 /nfs/dbraw/zinc/52/49/05/1319524905.db2.gz KMOUVUTVBXKBMT-LJQANCHMSA-N 2 1 327.472 2.065 20 30 EEEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001158949330 1319524910 /nfs/dbraw/zinc/52/49/10/1319524910.db2.gz KMOUVUTVBXKBMT-LJQANCHMSA-N 2 1 327.472 2.065 20 30 EEEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001158949330 1319524915 /nfs/dbraw/zinc/52/49/15/1319524915.db2.gz KMOUVUTVBXKBMT-LJQANCHMSA-N 2 1 327.472 2.065 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001159908715 1320018314 /nfs/dbraw/zinc/01/83/14/1320018314.db2.gz JCJHWJTXWGBFDU-LJQANCHMSA-N 2 1 342.487 2.417 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001160197855 1320096591 /nfs/dbraw/zinc/09/65/91/1320096591.db2.gz KOBYWGLNNURPHC-FQEVSTJZSA-N 2 1 341.499 2.305 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001160197855 1320096595 /nfs/dbraw/zinc/09/65/95/1320096595.db2.gz KOBYWGLNNURPHC-FQEVSTJZSA-N 2 1 341.499 2.305 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360321 1320144019 /nfs/dbraw/zinc/14/40/19/1320144019.db2.gz OVJXZIYYQYJFQR-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160360321 1320144021 /nfs/dbraw/zinc/14/40/21/1320144021.db2.gz OVJXZIYYQYJFQR-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160360321 1320144024 /nfs/dbraw/zinc/14/40/24/1320144024.db2.gz OVJXZIYYQYJFQR-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1 ZINC001160870472 1320299476 /nfs/dbraw/zinc/29/94/76/1320299476.db2.gz YAUOPFQOIJIDSF-RBUKOAKNSA-N 2 1 340.471 2.171 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390759 1320484758 /nfs/dbraw/zinc/48/47/58/1320484758.db2.gz JFDATEMGSGPEQK-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161390759 1320484762 /nfs/dbraw/zinc/48/47/62/1320484762.db2.gz JFDATEMGSGPEQK-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161390759 1320484767 /nfs/dbraw/zinc/48/47/67/1320484767.db2.gz JFDATEMGSGPEQK-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCC(=C)C)CC2)CC1 ZINC001161946770 1320688083 /nfs/dbraw/zinc/68/80/83/1320688083.db2.gz CAKSPJFQPRTARK-UHFFFAOYSA-N 2 1 343.515 2.436 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531825 1321409817 /nfs/dbraw/zinc/40/98/17/1321409817.db2.gz TXJIJSWLXZYCKU-HZPDHXFCSA-N 2 1 339.911 2.489 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccccc2OC)CC1 ZINC001203438827 1321881048 /nfs/dbraw/zinc/88/10/48/1321881048.db2.gz RKDGHWWWGSHVJI-UHFFFAOYSA-N 2 1 329.488 2.487 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1c1ccc(F)cc1 ZINC001205318382 1322349878 /nfs/dbraw/zinc/34/98/78/1322349878.db2.gz AQBBYTXVSAAJAM-RBUKOAKNSA-N 2 1 345.462 2.075 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001206794962 1323599342 /nfs/dbraw/zinc/59/93/42/1323599342.db2.gz WIZPZVTXPOXCRS-UHFFFAOYSA-N 2 1 348.516 2.290 20 30 EEEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C#N)cc1O)C2 ZINC001276494757 1323609841 /nfs/dbraw/zinc/60/98/41/1323609841.db2.gz ZCNGHFTUFUIWFT-FQEVSTJZSA-N 2 1 342.487 2.113 20 30 EEEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1O)C2 ZINC001276494757 1323609853 /nfs/dbraw/zinc/60/98/53/1323609853.db2.gz ZCNGHFTUFUIWFT-FQEVSTJZSA-N 2 1 342.487 2.113 20 30 EEEDMP N#Cc1cnn(-c2ccccc2)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262286 1325219649 /nfs/dbraw/zinc/21/96/49/1325219649.db2.gz DWYUGRQLIJADFY-UHFFFAOYSA-N 2 1 345.410 2.292 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001210486546 1325305757 /nfs/dbraw/zinc/30/57/57/1325305757.db2.gz ZCBHTPQMQJIVQM-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001210486546 1325305764 /nfs/dbraw/zinc/30/57/64/1325305764.db2.gz ZCBHTPQMQJIVQM-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001210486546 1325305784 /nfs/dbraw/zinc/30/57/84/1325305784.db2.gz ZCBHTPQMQJIVQM-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)Cc2cccc(C#N)c2)C1 ZINC001492383660 1331202700 /nfs/dbraw/zinc/20/27/00/1331202700.db2.gz HFGRSIAVLUBIRA-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001492383660 1331202701 /nfs/dbraw/zinc/20/27/01/1331202701.db2.gz HFGRSIAVLUBIRA-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001492383660 1331202702 /nfs/dbraw/zinc/20/27/02/1331202702.db2.gz HFGRSIAVLUBIRA-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CCCO1 ZINC001200548694 1338409352 /nfs/dbraw/zinc/40/93/52/1338409352.db2.gz VSRKEQAKPNPIOY-DLBZAZTESA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001355888001 1338763934 /nfs/dbraw/zinc/76/39/34/1338763934.db2.gz HXTJTYLCMRMHOS-KRWDZBQOSA-N 2 1 346.523 2.051 20 30 EEEDMP C=CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001574953806 1343714122 /nfs/dbraw/zinc/71/41/22/1343714122.db2.gz GPARWOSKACLLAC-CALCHBBNSA-N 2 1 346.523 2.225 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702033 1370560197 /nfs/dbraw/zinc/56/01/97/1370560197.db2.gz RXKQNVREQXSSDC-MJGOQNOKSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071940064 1370583030 /nfs/dbraw/zinc/58/30/30/1370583030.db2.gz VLVIJBAMAWQJTE-GDBMZVCRSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071940064 1370583033 /nfs/dbraw/zinc/58/30/33/1370583033.db2.gz VLVIJBAMAWQJTE-GDBMZVCRSA-N 2 1 325.416 2.036 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001103758662 1371060808 /nfs/dbraw/zinc/06/08/08/1371060808.db2.gz MWMDNALLELZVBH-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758662 1371060813 /nfs/dbraw/zinc/06/08/13/1371060813.db2.gz MWMDNALLELZVBH-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758662 1371060816 /nfs/dbraw/zinc/06/08/16/1371060816.db2.gz MWMDNALLELZVBH-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP C[N@@H+](CC(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1)C1CCC1 ZINC001100410712 1373038308 /nfs/dbraw/zinc/03/83/08/1373038308.db2.gz JQUAYZFXXOTONB-UHFFFAOYSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[NH2+]CC2=CC[N@@H+](C)CC2)c(OC)c1 ZINC001356595018 1373203083 /nfs/dbraw/zinc/20/30/83/1373203083.db2.gz HQDMEYAGGOUDJD-GOSISDBHSA-N 2 1 346.471 2.015 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001379119422 1380541297 /nfs/dbraw/zinc/54/12/97/1380541297.db2.gz UKCYAHRMXAQHEK-GOSISDBHSA-N 2 1 348.466 2.174 20 30 EEEDMP C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001379231168 1380645659 /nfs/dbraw/zinc/64/56/59/1380645659.db2.gz ZPDMOVPGRNENIS-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[N@@H+](CCNC(=O)CCC[NH+]1CCCCC1)Cc1ccc(C#N)cc1 ZINC001390861893 1388828689 /nfs/dbraw/zinc/82/86/89/1388828689.db2.gz KCPMXADCQVJEES-UHFFFAOYSA-N 2 1 342.487 2.372 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001752806282 1406425191 /nfs/dbraw/zinc/42/51/91/1406425191.db2.gz IXKZTTYDAKXLMX-IBGZPJMESA-N 2 1 329.488 2.175 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001394717063 1390744298 /nfs/dbraw/zinc/74/42/98/1390744298.db2.gz RXFLSVDTQGZULO-UONOGXRCSA-N 2 1 346.313 2.111 20 30 EEEDMP C[N@@H+](CC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001398228269 1391928566 /nfs/dbraw/zinc/92/85/66/1391928566.db2.gz IPNCRKDGPGJISO-CQSZACIVSA-N 2 1 346.500 2.185 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001401302359 1397136213 /nfs/dbraw/zinc/13/62/13/1397136213.db2.gz VUGMCJHNVRUBKB-QFBILLFUSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C ZINC001402051601 1397736755 /nfs/dbraw/zinc/73/67/55/1397736755.db2.gz ITBIIEUQJMTMKD-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC/C=C\CC)C2)C1 ZINC001754564755 1406926209 /nfs/dbraw/zinc/92/62/09/1406926209.db2.gz IJNPDDQNXNYKCN-SFMFPFJOSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC/C=C\CC)C2)C1 ZINC001754564755 1406926211 /nfs/dbraw/zinc/92/62/11/1406926211.db2.gz IJNPDDQNXNYKCN-SFMFPFJOSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC/C=C\CC)C2)C1 ZINC001754564755 1406926202 /nfs/dbraw/zinc/92/62/02/1406926202.db2.gz IJNPDDQNXNYKCN-SFMFPFJOSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC/C=C\CC)C2)C1 ZINC001754564755 1406926203 /nfs/dbraw/zinc/92/62/03/1406926203.db2.gz IJNPDDQNXNYKCN-SFMFPFJOSA-N 2 1 343.515 2.365 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001402977749 1398302016 /nfs/dbraw/zinc/30/20/16/1398302016.db2.gz VLTXGSVGVJOJCL-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001402992515 1398308617 /nfs/dbraw/zinc/30/86/17/1398308617.db2.gz CSXZHTJRKVBOFS-CYBMUJFWSA-N 2 1 336.505 2.192 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001423449544 1400582896 /nfs/dbraw/zinc/58/28/96/1400582896.db2.gz JNLDZPJHBUVFBQ-KBPBESRZSA-N 2 1 346.313 2.206 20 30 EEEDMP C=C(Br)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001725396218 1405791842 /nfs/dbraw/zinc/79/18/42/1405791842.db2.gz SYEXKZMBNGPOFZ-KGLIPLIRSA-N 2 1 346.313 2.254 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001733905315 1406017997 /nfs/dbraw/zinc/01/79/97/1406017997.db2.gz CJQRPUMQLQBHHK-WUOGDMFISA-N 2 1 339.483 2.282 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001733905315 1406018003 /nfs/dbraw/zinc/01/80/03/1406018003.db2.gz CJQRPUMQLQBHHK-WUOGDMFISA-N 2 1 339.483 2.282 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001755747649 1407806590 /nfs/dbraw/zinc/80/65/90/1407806590.db2.gz VZKHRAXYYJNUOI-NVXWUHKLSA-N 2 1 339.443 2.332 20 30 EEEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001755888828 1407953037 /nfs/dbraw/zinc/95/30/37/1407953037.db2.gz MUBZWOKAQNSKJC-UHFFFAOYSA-N 2 1 349.519 2.059 20 30 EEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001100402227 1410650385 /nfs/dbraw/zinc/65/03/85/1410650385.db2.gz SXANRWZXXSTFCG-FAFZWHIHSA-N 2 1 349.519 2.080 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)s1 ZINC001168030037 782399072 /nfs/dbraw/zinc/39/90/72/782399072.db2.gz LVGWMDZXBKGKMM-YOEHRIQHSA-N 2 1 346.500 2.233 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001087306024 761552708 /nfs/dbraw/zinc/55/27/08/761552708.db2.gz BYSIPQSJSFDVCU-BPQIPLTHSA-N 2 1 342.487 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001087306024 761552713 /nfs/dbraw/zinc/55/27/13/761552713.db2.gz BYSIPQSJSFDVCU-BPQIPLTHSA-N 2 1 342.487 2.245 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520635 782610171 /nfs/dbraw/zinc/61/01/71/782610171.db2.gz IVJPGUOSXYLEMM-HZPDHXFCSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520635 782610178 /nfs/dbraw/zinc/61/01/78/782610178.db2.gz IVJPGUOSXYLEMM-HZPDHXFCSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530104 782631031 /nfs/dbraw/zinc/63/10/31/782631031.db2.gz PESQVZNZHMTDJU-VQIMIIECSA-N 2 1 329.488 2.417 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021407 782780014 /nfs/dbraw/zinc/78/00/14/782780014.db2.gz JYMLSAYNGDDAGI-CVEARBPZSA-N 2 1 346.475 2.096 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021407 782780019 /nfs/dbraw/zinc/78/00/19/782780019.db2.gz JYMLSAYNGDDAGI-CVEARBPZSA-N 2 1 346.475 2.096 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509068 770001036 /nfs/dbraw/zinc/00/10/36/770001036.db2.gz DRKZIKOGXIKQQG-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089510721 770025794 /nfs/dbraw/zinc/02/57/94/770025794.db2.gz DPKYMEMHROBIPC-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089510721 770025807 /nfs/dbraw/zinc/02/58/07/770025807.db2.gz DPKYMEMHROBIPC-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089510721 770025821 /nfs/dbraw/zinc/02/58/21/770025821.db2.gz DPKYMEMHROBIPC-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)[C@@H](C)C2)CC1 ZINC000948070332 773436117 /nfs/dbraw/zinc/43/61/17/773436117.db2.gz ONFIZXFIZREFMD-PKOBYXMFSA-N 2 1 331.504 2.267 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980238262 774171550 /nfs/dbraw/zinc/17/15/50/774171550.db2.gz JAXIOFRSUMBXBK-XHSDSOJGSA-N 2 1 336.867 2.161 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980238262 774171554 /nfs/dbraw/zinc/17/15/54/774171554.db2.gz JAXIOFRSUMBXBK-XHSDSOJGSA-N 2 1 336.867 2.161 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089686732 774319892 /nfs/dbraw/zinc/31/98/92/774319892.db2.gz XJLXFQBMIJOETF-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686732 774319901 /nfs/dbraw/zinc/31/99/01/774319901.db2.gz XJLXFQBMIJOETF-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686732 774319909 /nfs/dbraw/zinc/31/99/09/774319909.db2.gz XJLXFQBMIJOETF-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089837816 777527365 /nfs/dbraw/zinc/52/73/65/777527365.db2.gz GKGASSXMPMWNIY-MANSERQUSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089837816 777527370 /nfs/dbraw/zinc/52/73/70/777527370.db2.gz GKGASSXMPMWNIY-MANSERQUSA-N 2 1 342.487 2.327 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981958306 778670195 /nfs/dbraw/zinc/67/01/95/778670195.db2.gz HUWWOSYPLVGAND-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981958306 778670198 /nfs/dbraw/zinc/67/01/98/778670198.db2.gz HUWWOSYPLVGAND-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981958306 778670199 /nfs/dbraw/zinc/67/01/99/778670199.db2.gz HUWWOSYPLVGAND-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000982107356 779115879 /nfs/dbraw/zinc/11/58/79/779115879.db2.gz HXOFWIQROVNKFC-UHFFFAOYSA-N 2 1 331.504 2.219 20 30 EEEDMP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C)C[C@@H](C)O2 ZINC001111540062 790716469 /nfs/dbraw/zinc/71/64/69/790716469.db2.gz DAOPLAXBHGVMAB-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982300171 779623523 /nfs/dbraw/zinc/62/35/23/779623523.db2.gz UYLKHRXFTGYJNZ-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300171 779623529 /nfs/dbraw/zinc/62/35/29/779623529.db2.gz UYLKHRXFTGYJNZ-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300171 779623532 /nfs/dbraw/zinc/62/35/32/779623532.db2.gz UYLKHRXFTGYJNZ-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982305956 779656088 /nfs/dbraw/zinc/65/60/88/779656088.db2.gz BINWZNCYQGANBK-QGZVKYPTSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982305956 779656092 /nfs/dbraw/zinc/65/60/92/779656092.db2.gz BINWZNCYQGANBK-QGZVKYPTSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982305956 779656096 /nfs/dbraw/zinc/65/60/96/779656096.db2.gz BINWZNCYQGANBK-QGZVKYPTSA-N 2 1 331.504 2.360 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc4c[nH]ccc-4n3)C[C@@]2(C)C1 ZINC000982306824 779662797 /nfs/dbraw/zinc/66/27/97/779662797.db2.gz ZDPJTTGJGIXPPU-BGYRXZFFSA-N 2 1 336.439 2.370 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001035050719 783655448 /nfs/dbraw/zinc/65/54/48/783655448.db2.gz HKPRDNZMEGWSEK-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001089893947 783786698 /nfs/dbraw/zinc/78/66/98/783786698.db2.gz QCYQNAOITAAUEY-VJANTYMQSA-N 2 1 343.515 2.217 20 30 EEEDMP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481754 783837223 /nfs/dbraw/zinc/83/72/23/783837223.db2.gz WVKCIRVVTAOZNN-QZTJIDSGSA-N 2 1 329.488 2.057 20 30 EEEDMP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481744 783837251 /nfs/dbraw/zinc/83/72/51/783837251.db2.gz WQTCQIFIJUNWJA-ZWKOTPCHSA-N 2 1 329.488 2.057 20 30 EEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)c1cc(C[NH+](C)C)on1)CC2 ZINC001035200513 784039633 /nfs/dbraw/zinc/03/96/33/784039633.db2.gz AVXPRZJWGBCWKU-UHFFFAOYSA-N 2 1 346.475 2.240 20 30 EEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)c1cc(C[NH+](C)C)on1)CC2 ZINC001035200513 784039638 /nfs/dbraw/zinc/03/96/38/784039638.db2.gz AVXPRZJWGBCWKU-UHFFFAOYSA-N 2 1 346.475 2.240 20 30 EEEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035193804 784083528 /nfs/dbraw/zinc/08/35/28/784083528.db2.gz PDDLDEZPWALNQP-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193804 784083532 /nfs/dbraw/zinc/08/35/32/784083532.db2.gz PDDLDEZPWALNQP-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193804 784083534 /nfs/dbraw/zinc/08/35/34/784083534.db2.gz PDDLDEZPWALNQP-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC[C@H](C)F)C2)CC1 ZINC001035195539 784088455 /nfs/dbraw/zinc/08/84/55/784088455.db2.gz YXGGGFXKDASWGY-ROUUACIJSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001035195539 784088460 /nfs/dbraw/zinc/08/84/60/784088460.db2.gz YXGGGFXKDASWGY-ROUUACIJSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC[C@H](C)F)C2)CC1 ZINC001035195539 784088468 /nfs/dbraw/zinc/08/84/68/784088468.db2.gz YXGGGFXKDASWGY-ROUUACIJSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC[C@H](C)F)C2)CC1 ZINC001035195539 784088473 /nfs/dbraw/zinc/08/84/73/784088473.db2.gz YXGGGFXKDASWGY-ROUUACIJSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035259711 784213689 /nfs/dbraw/zinc/21/36/89/784213689.db2.gz FFURHLCAOZVHKJ-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135690097 784249776 /nfs/dbraw/zinc/24/97/76/784249776.db2.gz FDNDGWLTKKBVQZ-ROUUACIJSA-N 2 1 339.524 2.021 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)CC2 ZINC001035709194 784992524 /nfs/dbraw/zinc/99/25/24/784992524.db2.gz SBYBGNDBXXKBFQ-KRWDZBQOSA-N 2 1 342.487 2.344 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001127066870 788317207 /nfs/dbraw/zinc/31/72/07/788317207.db2.gz UBXZWWLPIRBUHS-SFHVURJKSA-N 2 1 347.890 2.270 20 30 EEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000997124671 789000373 /nfs/dbraw/zinc/00/03/73/789000373.db2.gz IAXUICKIJVUGID-APWZRJJASA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997279921 789551683 /nfs/dbraw/zinc/55/16/83/789551683.db2.gz QMRXNSYKCSUNPC-MJGOQNOKSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001107946172 789703548 /nfs/dbraw/zinc/70/35/48/789703548.db2.gz QIMPNWQLAKUJDI-IBGZPJMESA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001107946172 789703554 /nfs/dbraw/zinc/70/35/54/789703554.db2.gz QIMPNWQLAKUJDI-IBGZPJMESA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC000991882702 791257307 /nfs/dbraw/zinc/25/73/07/791257307.db2.gz IJRMACHSRPDZEQ-QUCCMNQESA-N 2 1 342.487 2.451 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC000991882702 791257314 /nfs/dbraw/zinc/25/73/14/791257314.db2.gz IJRMACHSRPDZEQ-QUCCMNQESA-N 2 1 342.487 2.451 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C(F)(F)F ZINC000998298824 792504536 /nfs/dbraw/zinc/50/45/36/792504536.db2.gz YYRZJNUIUYBEMZ-ZIAGYGMSSA-N 2 1 347.425 2.273 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012911 793506218 /nfs/dbraw/zinc/50/62/18/793506218.db2.gz FDNHWTHBNDHIAR-LSTHTHJFSA-N 2 1 349.494 2.003 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012911 793506221 /nfs/dbraw/zinc/50/62/21/793506221.db2.gz FDNHWTHBNDHIAR-LSTHTHJFSA-N 2 1 349.494 2.003 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012911 793506225 /nfs/dbraw/zinc/50/62/25/793506225.db2.gz FDNHWTHBNDHIAR-LSTHTHJFSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001040721912 793531182 /nfs/dbraw/zinc/53/11/82/793531182.db2.gz FAERCGAVPLPIAK-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001040721911 793531457 /nfs/dbraw/zinc/53/14/57/793531457.db2.gz FAERCGAVPLPIAK-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992311461 793631423 /nfs/dbraw/zinc/63/14/23/793631423.db2.gz AFOGVCDSDQTBOH-CTNGQTDRSA-N 2 1 339.483 2.498 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992408399 793984019 /nfs/dbraw/zinc/98/40/19/793984019.db2.gz RSVTZVDJIDRPQD-TZIWHRDSSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCC2CC2)CC3)CC1 ZINC000992509205 794451727 /nfs/dbraw/zinc/45/17/27/794451727.db2.gz MYAKMUREFZVPQY-FPOVZHCZSA-N 2 1 343.515 2.245 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093373925 795106902 /nfs/dbraw/zinc/10/69/02/795106902.db2.gz VBYNPAFZIWTBHX-MOPGFXCFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001093377077 795112592 /nfs/dbraw/zinc/11/25/92/795112592.db2.gz FZODROCKNDIPEF-MOPGFXCFSA-N 2 1 345.531 2.299 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001093378900 795115547 /nfs/dbraw/zinc/11/55/47/795115547.db2.gz VOIKCSMPXQHVOH-LJQANCHMSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700605 795118855 /nfs/dbraw/zinc/11/88/55/795118855.db2.gz FYYLCEQLNQQQBX-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079700605 795118862 /nfs/dbraw/zinc/11/88/62/795118862.db2.gz FYYLCEQLNQQQBX-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079700605 795118864 /nfs/dbraw/zinc/11/88/64/795118864.db2.gz FYYLCEQLNQQQBX-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997250 795304417 /nfs/dbraw/zinc/30/44/17/795304417.db2.gz VCIAGKUWJGVMJG-QFBILLFUSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107997250 795304428 /nfs/dbraw/zinc/30/44/28/795304428.db2.gz VCIAGKUWJGVMJG-QFBILLFUSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001107997250 795304435 /nfs/dbraw/zinc/30/44/35/795304435.db2.gz VCIAGKUWJGVMJG-QFBILLFUSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094582633 796423254 /nfs/dbraw/zinc/42/32/54/796423254.db2.gz SZOVTCWIGMIAOU-TZIWHRDSSA-N 2 1 339.483 2.356 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001112547341 806512468 /nfs/dbraw/zinc/51/24/68/806512468.db2.gz KJJNMFGOAUCESE-ICSRJNTNSA-N 2 1 333.520 2.350 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172131333 796879540 /nfs/dbraw/zinc/87/95/40/796879540.db2.gz WFMMWYXXPQIGJC-WKCHPHFGSA-N 2 1 346.563 2.293 20 30 EEEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001094949902 797092239 /nfs/dbraw/zinc/09/22/39/797092239.db2.gz BQQIUVSHHXTUAQ-JZXOWHBKSA-N 2 1 331.504 2.242 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001082059527 797145845 /nfs/dbraw/zinc/14/58/45/797145845.db2.gz SGNCSEQEKDYXMS-GUDVDZBRSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082059527 797145853 /nfs/dbraw/zinc/14/58/53/797145853.db2.gz SGNCSEQEKDYXMS-GUDVDZBRSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082059527 797145865 /nfs/dbraw/zinc/14/58/65/797145865.db2.gz SGNCSEQEKDYXMS-GUDVDZBRSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150445502 797967541 /nfs/dbraw/zinc/96/75/41/797967541.db2.gz VXQIXMKUQVJWOA-SFHVURJKSA-N 2 1 348.491 2.145 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150445502 797967545 /nfs/dbraw/zinc/96/75/45/797967545.db2.gz VXQIXMKUQVJWOA-SFHVURJKSA-N 2 1 348.491 2.145 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382768 798287121 /nfs/dbraw/zinc/28/71/21/798287121.db2.gz UXUMLSLOZONBQF-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089382768 798287123 /nfs/dbraw/zinc/28/71/23/798287123.db2.gz UXUMLSLOZONBQF-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089382768 798287127 /nfs/dbraw/zinc/28/71/27/798287127.db2.gz UXUMLSLOZONBQF-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564584 798498510 /nfs/dbraw/zinc/49/85/10/798498510.db2.gz RAARXCPEDJZAID-KBPBESRZSA-N 2 1 346.313 2.111 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018697 798613341 /nfs/dbraw/zinc/61/33/41/798613341.db2.gz LCILPHAFHFNDII-AOIWGVFYSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018697 798613344 /nfs/dbraw/zinc/61/33/44/798613344.db2.gz LCILPHAFHFNDII-AOIWGVFYSA-N 2 1 342.487 2.253 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001176986319 798675275 /nfs/dbraw/zinc/67/52/75/798675275.db2.gz KRNHATLDUXYETD-IBGZPJMESA-N 2 1 345.462 2.148 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001177415764 798934189 /nfs/dbraw/zinc/93/41/89/798934189.db2.gz KSHFKRZGGLPHPD-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001178045461 799229503 /nfs/dbraw/zinc/22/95/03/799229503.db2.gz MEJZKMVPUCBBIY-IBGZPJMESA-N 2 1 342.487 2.419 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001178467925 799488854 /nfs/dbraw/zinc/48/88/54/799488854.db2.gz LFADSRNHMNWQMT-SFHVURJKSA-N 2 1 339.524 2.328 20 30 EEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001179394953 799889313 /nfs/dbraw/zinc/88/93/13/799889313.db2.gz ALDONAXKONWVMP-KRWDZBQOSA-N 2 1 330.476 2.043 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001182138007 801040673 /nfs/dbraw/zinc/04/06/73/801040673.db2.gz NLYHQBJGTIEIGB-DNVCBOLYSA-N 2 1 330.476 2.022 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001183129150 801468969 /nfs/dbraw/zinc/46/89/69/801468969.db2.gz KRMDDFOBNOWXJZ-QWFCFKBJSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892535 802232324 /nfs/dbraw/zinc/23/23/24/802232324.db2.gz QHRVJGBUOJARSC-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001108251361 802467170 /nfs/dbraw/zinc/46/71/70/802467170.db2.gz CBNWBGRBGYDFKP-IBGZPJMESA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001108251361 802467176 /nfs/dbraw/zinc/46/71/76/802467176.db2.gz CBNWBGRBGYDFKP-IBGZPJMESA-N 2 1 348.491 2.180 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033162676 802701602 /nfs/dbraw/zinc/70/16/02/802701602.db2.gz UXSZZVYISNCWOQ-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033162676 802701604 /nfs/dbraw/zinc/70/16/04/802701604.db2.gz UXSZZVYISNCWOQ-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033162676 802701611 /nfs/dbraw/zinc/70/16/11/802701611.db2.gz UXSZZVYISNCWOQ-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033162676 802701617 /nfs/dbraw/zinc/70/16/17/802701617.db2.gz UXSZZVYISNCWOQ-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001086390415 802878091 /nfs/dbraw/zinc/87/80/91/802878091.db2.gz SMOWZHWBQFXBBW-UFYCRDLUSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001086390415 802878096 /nfs/dbraw/zinc/87/80/96/802878096.db2.gz SMOWZHWBQFXBBW-UFYCRDLUSA-N 2 1 339.483 2.077 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001108283592 803159431 /nfs/dbraw/zinc/15/94/31/803159431.db2.gz HZGDENURDKPDJD-IEBWSBKVSA-N 2 1 339.524 2.136 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001108283592 803159433 /nfs/dbraw/zinc/15/94/33/803159433.db2.gz HZGDENURDKPDJD-IEBWSBKVSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001169125603 803622912 /nfs/dbraw/zinc/62/29/12/803622912.db2.gz JRHVXQABCCCOQL-BJWYYQGGSA-N 2 1 333.476 2.332 20 30 EEEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001169125603 803622916 /nfs/dbraw/zinc/62/29/16/803622916.db2.gz JRHVXQABCCCOQL-BJWYYQGGSA-N 2 1 333.476 2.332 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169807963 804083106 /nfs/dbraw/zinc/08/31/06/804083106.db2.gz AHDBIEKABCWBIR-LPHOPBHVSA-N 2 1 342.487 2.417 20 30 EEEDMP Cn1nccc1C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000329015786 465204679 /nfs/dbraw/zinc/20/46/79/465204679.db2.gz QGVQYSYURKJDKN-UHFFFAOYSA-N 2 1 345.491 2.183 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000297005551 465242977 /nfs/dbraw/zinc/24/29/77/465242977.db2.gz UHMGEZDWSQWZIG-UHFFFAOYSA-N 2 1 344.503 2.235 20 30 EEEDMP C#CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCc2ccccc21 ZINC000089103588 462650721 /nfs/dbraw/zinc/65/07/21/462650721.db2.gz GMQJQVCWHLVQLE-HXUWFJFHSA-N 2 1 339.483 2.210 20 30 EEEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCc2ccccc21 ZINC000089103588 462650724 /nfs/dbraw/zinc/65/07/24/462650724.db2.gz GMQJQVCWHLVQLE-HXUWFJFHSA-N 2 1 339.483 2.210 20 30 EEEDMP CN(C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1(C#N)CCCCC1 ZINC000158997678 463263038 /nfs/dbraw/zinc/26/30/38/463263038.db2.gz GMOQQGIOGLQZTD-IRXDYDNUSA-N 2 1 332.492 2.087 20 30 EEEDMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000073895226 463666912 /nfs/dbraw/zinc/66/69/12/463666912.db2.gz UUWAMDVPWWURAJ-IBGZPJMESA-N 2 1 345.487 2.297 20 30 EEEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000073895226 463666915 /nfs/dbraw/zinc/66/69/15/463666915.db2.gz UUWAMDVPWWURAJ-IBGZPJMESA-N 2 1 345.487 2.297 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000171722660 463913765 /nfs/dbraw/zinc/91/37/65/463913765.db2.gz MYQGUUIJXYTQCX-MRXNPFEDSA-N 2 1 336.524 2.447 20 30 EEEDMP C#CCCC[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000271071684 464277607 /nfs/dbraw/zinc/27/76/07/464277607.db2.gz VVGMUWMFFBHNBV-IBGZPJMESA-N 2 1 326.488 2.329 20 30 EEEDMP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000264133031 464286893 /nfs/dbraw/zinc/28/68/93/464286893.db2.gz UMFNYSDOIKATHT-HOTGVXAUSA-N 2 1 332.492 2.358 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000246327167 464573040 /nfs/dbraw/zinc/57/30/40/464573040.db2.gz HOITWMIOTNHACO-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C[NH+](CC#CC[N@H+](C)CCc1nccs1)CCc1nccs1 ZINC000276349077 464899128 /nfs/dbraw/zinc/89/91/28/464899128.db2.gz VXQYSMYAJMQQFM-UHFFFAOYSA-N 2 1 334.514 2.252 20 30 EEEDMP C[NH+](CC#CC[N@@H+](C)CCc1nccs1)CCc1nccs1 ZINC000276349077 464899131 /nfs/dbraw/zinc/89/91/31/464899131.db2.gz VXQYSMYAJMQQFM-UHFFFAOYSA-N 2 1 334.514 2.252 20 30 EEEDMP C=CCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000342727532 465342858 /nfs/dbraw/zinc/34/28/58/465342858.db2.gz UVTFULAVYZFEJC-KRWDZBQOSA-N 2 1 345.487 2.031 20 30 EEEDMP C=CCC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000342727532 465342867 /nfs/dbraw/zinc/34/28/67/465342867.db2.gz UVTFULAVYZFEJC-KRWDZBQOSA-N 2 1 345.487 2.031 20 30 EEEDMP CC(C)[C@@H]1C[NH+](CC#CC[N@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339819366 465530536 /nfs/dbraw/zinc/53/05/36/465530536.db2.gz JIFBOVWNZTZWMN-BGYRXZFFSA-N 2 1 336.520 2.484 20 30 EEEDMP CC(C)[C@@H]1C[N@H+](CC#CC[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339819366 465530544 /nfs/dbraw/zinc/53/05/44/465530544.db2.gz JIFBOVWNZTZWMN-BGYRXZFFSA-N 2 1 336.520 2.484 20 30 EEEDMP CC(C)[C@@H]1C[N@@H+](CC#CC[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339819366 465530550 /nfs/dbraw/zinc/53/05/50/465530550.db2.gz JIFBOVWNZTZWMN-BGYRXZFFSA-N 2 1 336.520 2.484 20 30 EEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCC#N ZINC000360304455 465556010 /nfs/dbraw/zinc/55/60/10/465556010.db2.gz XHLOQQUIAFPJQB-UHFFFAOYSA-N 2 1 334.508 2.335 20 30 EEEDMP CCC[NH+]1CCC([NH+]=C([O-])N2CCC[C@H]2Cn2ccnc2C)CC1 ZINC000330178299 465559203 /nfs/dbraw/zinc/55/92/03/465559203.db2.gz DPDLMDGOPGIJLP-KRWDZBQOSA-N 2 1 333.480 2.444 20 30 EEEDMP CCC[NH+]1CCC([NH+]=C([O-])N2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000330178299 465559210 /nfs/dbraw/zinc/55/92/10/465559210.db2.gz DPDLMDGOPGIJLP-KRWDZBQOSA-N 2 1 333.480 2.444 20 30 EEEDMP O=C(C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330270128 465593071 /nfs/dbraw/zinc/59/30/71/465593071.db2.gz SXCWYISKLZACSK-AWEZNQCLSA-N 2 1 331.464 2.172 20 30 EEEDMP O=C(C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330270128 465593080 /nfs/dbraw/zinc/59/30/80/465593080.db2.gz SXCWYISKLZACSK-AWEZNQCLSA-N 2 1 331.464 2.172 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000371963493 466092137 /nfs/dbraw/zinc/09/21/37/466092137.db2.gz UAPAYDAKQNSDPN-GOSISDBHSA-N 2 1 330.451 2.298 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000371963493 466092146 /nfs/dbraw/zinc/09/21/46/466092146.db2.gz UAPAYDAKQNSDPN-GOSISDBHSA-N 2 1 330.451 2.298 20 30 EEEDMP C=CCN1CC[C@H]([N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)C1=O ZINC000420302846 467345256 /nfs/dbraw/zinc/34/52/56/467345256.db2.gz CDAIUDSASLVMTQ-IRXDYDNUSA-N 2 1 345.512 2.479 20 30 EEEDMP C=CCN1CC[C@H]([N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)C1=O ZINC000420302846 467345260 /nfs/dbraw/zinc/34/52/60/467345260.db2.gz CDAIUDSASLVMTQ-IRXDYDNUSA-N 2 1 345.512 2.479 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)C(C)C ZINC000457754617 467697408 /nfs/dbraw/zinc/69/74/08/467697408.db2.gz RDQSWIOCVJEODO-RCCFBDPRSA-N 2 1 334.508 2.031 20 30 EEEDMP N#Cc1ccc(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000601957099 469112416 /nfs/dbraw/zinc/11/24/16/469112416.db2.gz DYDYOXLYGSZDIE-NRFANRHFSA-N 2 1 335.451 2.327 20 30 EEEDMP N#Cc1ccc(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000601957099 469112422 /nfs/dbraw/zinc/11/24/22/469112422.db2.gz DYDYOXLYGSZDIE-NRFANRHFSA-N 2 1 335.451 2.327 20 30 EEEDMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610371780 470008306 /nfs/dbraw/zinc/00/83/06/470008306.db2.gz MWANBHFEXUHIFX-RTBURBONSA-N 2 1 345.487 2.156 20 30 EEEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610371780 470008309 /nfs/dbraw/zinc/00/83/09/470008309.db2.gz MWANBHFEXUHIFX-RTBURBONSA-N 2 1 345.487 2.156 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000171603409 526590979 /nfs/dbraw/zinc/59/09/79/526590979.db2.gz HFTDVQPLILTPAK-OAHLLOKOSA-N 2 1 333.480 2.167 20 30 EEEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377196490 527025319 /nfs/dbraw/zinc/02/53/19/527025319.db2.gz IWNJJWUCFPJRPP-SFHVURJKSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CCOc1ccccc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000105451686 527128020 /nfs/dbraw/zinc/12/80/20/527128020.db2.gz LRRPLIVVZQSSRU-UHFFFAOYSA-N 2 1 329.488 2.062 20 30 EEEDMP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCc4[nH]cnc43)C2)c1 ZINC001020571655 675169283 /nfs/dbraw/zinc/16/92/83/675169283.db2.gz RTYGIVPEBRCUQZ-BRWVUGGUSA-N 2 1 349.438 2.138 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681057 676336092 /nfs/dbraw/zinc/33/60/92/676336092.db2.gz DOAAPKNHVIKZBS-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681057 676336095 /nfs/dbraw/zinc/33/60/95/676336095.db2.gz DOAAPKNHVIKZBS-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000972386651 678637184 /nfs/dbraw/zinc/63/71/84/678637184.db2.gz FZXWAQZTZUEJHU-FQEVSTJZSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000972386651 678637185 /nfs/dbraw/zinc/63/71/85/678637185.db2.gz FZXWAQZTZUEJHU-FQEVSTJZSA-N 2 1 349.519 2.130 20 30 EEEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCCC2(C1)CCCCCC2 ZINC000261779147 681187464 /nfs/dbraw/zinc/18/74/64/681187464.db2.gz PAFVKVASJRRYGR-SFHVURJKSA-N 2 1 349.567 2.244 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623668 681817510 /nfs/dbraw/zinc/81/75/10/681817510.db2.gz KVVQQZOCSFDXJB-NRSPTQNISA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623668 681817514 /nfs/dbraw/zinc/81/75/14/681817514.db2.gz KVVQQZOCSFDXJB-NRSPTQNISA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623668 681817523 /nfs/dbraw/zinc/81/75/23/681817523.db2.gz KVVQQZOCSFDXJB-NRSPTQNISA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982726576 682111710 /nfs/dbraw/zinc/11/17/10/682111710.db2.gz WEBVITNIVGETNT-NXHRZFHOSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982726576 682111715 /nfs/dbraw/zinc/11/17/15/682111715.db2.gz WEBVITNIVGETNT-NXHRZFHOSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982726576 682111719 /nfs/dbraw/zinc/11/17/19/682111719.db2.gz WEBVITNIVGETNT-NXHRZFHOSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982726576 682111722 /nfs/dbraw/zinc/11/17/22/682111722.db2.gz WEBVITNIVGETNT-NXHRZFHOSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001028805560 682263320 /nfs/dbraw/zinc/26/33/20/682263320.db2.gz QKWQSMCERGLYIO-MRXNPFEDSA-N 2 1 346.475 2.288 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001028805560 682263323 /nfs/dbraw/zinc/26/33/23/682263323.db2.gz QKWQSMCERGLYIO-MRXNPFEDSA-N 2 1 346.475 2.288 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025268442 682360186 /nfs/dbraw/zinc/36/01/86/682360186.db2.gz YXRJAMNPLNAWJI-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025268442 682360192 /nfs/dbraw/zinc/36/01/92/682360192.db2.gz YXRJAMNPLNAWJI-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975033666 686084655 /nfs/dbraw/zinc/08/46/55/686084655.db2.gz FVDZCSUKFIEVDB-NVXWUHKLSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975033666 686084658 /nfs/dbraw/zinc/08/46/58/686084658.db2.gz FVDZCSUKFIEVDB-NVXWUHKLSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC3CC(C)C3)C2)CC1 ZINC001027693847 694000801 /nfs/dbraw/zinc/00/08/01/694000801.db2.gz KNMITSSHUJKWNM-QLOJAFMTSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414737 688011271 /nfs/dbraw/zinc/01/12/71/688011271.db2.gz VNEDGVFBTQDTNL-HOTGVXAUSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414737 688011278 /nfs/dbraw/zinc/01/12/78/688011278.db2.gz VNEDGVFBTQDTNL-HOTGVXAUSA-N 2 1 325.884 2.004 20 30 EEEDMP C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262797395 688486494 /nfs/dbraw/zinc/48/64/94/688486494.db2.gz OKNJIEBMECJXQO-LBPRGKRZSA-N 2 1 345.472 2.305 20 30 EEEDMP C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262797395 688486497 /nfs/dbraw/zinc/48/64/97/688486497.db2.gz OKNJIEBMECJXQO-LBPRGKRZSA-N 2 1 345.472 2.305 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC3CCCC3)CC2)CC1 ZINC000989734983 692231159 /nfs/dbraw/zinc/23/11/59/692231159.db2.gz MVBUIRYRCZYSCY-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001027578457 693201221 /nfs/dbraw/zinc/20/12/21/693201221.db2.gz KVQKSJWLTJAYBR-MOPGFXCFSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001027578457 693201224 /nfs/dbraw/zinc/20/12/24/693201224.db2.gz KVQKSJWLTJAYBR-MOPGFXCFSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccccc1C#N ZINC001481005272 1179466680 /nfs/dbraw/zinc/46/66/80/1179466680.db2.gz VCPMTYLOWLLQEZ-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccccc1C#N ZINC001481005272 1179466684 /nfs/dbraw/zinc/46/66/84/1179466684.db2.gz VCPMTYLOWLLQEZ-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001421764955 1181489879 /nfs/dbraw/zinc/48/98/79/1181489879.db2.gz CYLGLDHQYCGITP-GXTWGEPZSA-N 2 1 346.313 2.111 20 30 EEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001088381347 1186746488 /nfs/dbraw/zinc/74/64/88/1186746488.db2.gz CHMLQMQXLQUMNL-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP CN(C)Cc1nc(CSCCNc2ccnc(CC#N)c2)cs1 ZINC001168109265 1186799411 /nfs/dbraw/zinc/79/94/11/1186799411.db2.gz YBGYLBOHQWBQMS-UHFFFAOYSA-N 2 1 347.513 2.433 20 30 EEEDMP C=CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272808307 1193526274 /nfs/dbraw/zinc/52/62/74/1193526274.db2.gz OMHLBJZBTLQFNT-HXUWFJFHSA-N 2 1 334.423 2.170 20 30 EEEDMP C=CCN1c2ccccc2[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272808307 1193526276 /nfs/dbraw/zinc/52/62/76/1193526276.db2.gz OMHLBJZBTLQFNT-HXUWFJFHSA-N 2 1 334.423 2.170 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105574593 1188188597 /nfs/dbraw/zinc/18/85/97/1188188597.db2.gz BQBFLUWQPVVBQE-RBUKOAKNSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001005399101 1195369515 /nfs/dbraw/zinc/36/95/15/1195369515.db2.gz PXSJDJKMUFRGJQ-INIZCTEOSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050824 1195705592 /nfs/dbraw/zinc/70/55/92/1195705592.db2.gz PHSUOLQRKNPQQP-MRXNPFEDSA-N 2 1 331.460 2.291 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050824 1195705595 /nfs/dbraw/zinc/70/55/95/1195705595.db2.gz PHSUOLQRKNPQQP-MRXNPFEDSA-N 2 1 331.460 2.291 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034240418 1195990667 /nfs/dbraw/zinc/99/06/67/1195990667.db2.gz IEQXIVIHTFFDJV-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034240418 1195990669 /nfs/dbraw/zinc/99/06/69/1195990669.db2.gz IEQXIVIHTFFDJV-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034240418 1195990670 /nfs/dbraw/zinc/99/06/70/1195990670.db2.gz IEQXIVIHTFFDJV-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001034692277 1196577360 /nfs/dbraw/zinc/57/73/60/1196577360.db2.gz YUPIRGGGCOQXKK-WKILWMFISA-N 2 1 330.476 2.355 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001034717378 1196613390 /nfs/dbraw/zinc/61/33/90/1196613390.db2.gz SEKCJEGBLBQKGJ-ULQDDVLXSA-N 2 1 330.476 2.347 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC001034962044 1196942923 /nfs/dbraw/zinc/94/29/23/1196942923.db2.gz FIYITJXZPCFYCU-MJGOQNOKSA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC001034962044 1196942924 /nfs/dbraw/zinc/94/29/24/1196942924.db2.gz FIYITJXZPCFYCU-MJGOQNOKSA-N 2 1 343.446 2.004 20 30 EEEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001410292247 1197667669 /nfs/dbraw/zinc/66/76/69/1197667669.db2.gz NAMLXGXINYKOHQ-SJORKVTESA-N 2 1 346.500 2.041 20 30 EEEDMP C[N@@H+](CC(=O)NCC[NH2+]CC#Cc1ccccc1Cl)CC(C)(C)C ZINC001133899802 1199163344 /nfs/dbraw/zinc/16/33/44/1199163344.db2.gz XRKSWFIDOYYVNS-UHFFFAOYSA-N 2 1 349.906 2.375 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC#Cc1ccccc1 ZINC001132269529 1199508717 /nfs/dbraw/zinc/50/87/17/1199508717.db2.gz LKIDOMRLQQMKGZ-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC#Cc1ccccc1 ZINC001132269529 1199508720 /nfs/dbraw/zinc/50/87/20/1199508720.db2.gz LKIDOMRLQQMKGZ-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608108 1199699766 /nfs/dbraw/zinc/69/97/66/1199699766.db2.gz QVQZNPSXOGRNNG-HOTGVXAUSA-N 2 1 342.487 2.415 20 30 EEEDMP CC[NH+](CC)CCN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137114553 1199820961 /nfs/dbraw/zinc/82/09/61/1199820961.db2.gz QIFFJMMWKWXJND-UHFFFAOYSA-N 2 1 330.476 2.048 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OC2CCCC2)c1 ZINC000104164160 1204611564 /nfs/dbraw/zinc/61/15/64/1204611564.db2.gz WTHDCCKMMNRGES-INIZCTEOSA-N 2 1 345.491 2.292 20 30 EEEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3c[nH]c4cc(C#N)ccc34)[C@@H]2C1 ZINC001275786210 1205525751 /nfs/dbraw/zinc/52/57/51/1205525751.db2.gz FASZNWNPAQDQJN-OXJNMPFZSA-N 2 1 337.471 2.107 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC000948825354 1209403839 /nfs/dbraw/zinc/40/38/39/1209403839.db2.gz AINLCFQCFWLTNX-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CCO2 ZINC000949089925 1209531606 /nfs/dbraw/zinc/53/16/06/1209531606.db2.gz UKEWBILCBLRCRY-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)CC(C)C ZINC000303774777 1213903694 /nfs/dbraw/zinc/90/36/94/1213903694.db2.gz GCPPOGNRLCXBNT-DLBZAZTESA-N 3 1 325.545 2.132 20 30 EEEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303986391 1213936003 /nfs/dbraw/zinc/93/60/03/1213936003.db2.gz UKBVPDVKDBYZHG-UHFFFAOYSA-N 2 1 337.899 2.117 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)CCc3cnc[nH]3)CC2)CC1 ZINC000957559884 1215210482 /nfs/dbraw/zinc/21/04/82/1215210482.db2.gz OXKDSJRYPOOVAJ-UHFFFAOYSA-N 2 1 328.460 2.070 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)CC1 ZINC000957569170 1215219506 /nfs/dbraw/zinc/21/95/06/1215219506.db2.gz YKNTWHBNQVTMIZ-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605410 1215250033 /nfs/dbraw/zinc/25/00/33/1215250033.db2.gz AIPKWEDAYKHINT-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733073 1225604807 /nfs/dbraw/zinc/60/48/07/1225604807.db2.gz LCAPVMBCEVFTPQ-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733073 1225604812 /nfs/dbraw/zinc/60/48/12/1225604812.db2.gz LCAPVMBCEVFTPQ-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733073 1225604817 /nfs/dbraw/zinc/60/48/17/1225604817.db2.gz LCAPVMBCEVFTPQ-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C[N@@H+](CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)C1CCCC1 ZINC000304765522 1216105358 /nfs/dbraw/zinc/10/53/58/1216105358.db2.gz ZJGRCBYAFLYCGF-UHFFFAOYSA-N 2 1 347.482 2.137 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960292866 1216477297 /nfs/dbraw/zinc/47/72/97/1216477297.db2.gz YHJGBSORUDAHEI-TWMKSMIVSA-N 2 1 337.895 2.192 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960292866 1216477303 /nfs/dbraw/zinc/47/73/03/1216477303.db2.gz YHJGBSORUDAHEI-TWMKSMIVSA-N 2 1 337.895 2.192 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000960292866 1216477306 /nfs/dbraw/zinc/47/73/06/1216477306.db2.gz YHJGBSORUDAHEI-TWMKSMIVSA-N 2 1 337.895 2.192 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000960292866 1216477310 /nfs/dbraw/zinc/47/73/10/1216477310.db2.gz YHJGBSORUDAHEI-TWMKSMIVSA-N 2 1 337.895 2.192 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccsc1 ZINC000960674633 1216784974 /nfs/dbraw/zinc/78/49/74/1216784974.db2.gz AJDCLALTMGNICP-ROUUACIJSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccsc1 ZINC000960674633 1216784977 /nfs/dbraw/zinc/78/49/77/1216784977.db2.gz AJDCLALTMGNICP-ROUUACIJSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000960674633 1216784981 /nfs/dbraw/zinc/78/49/81/1216784981.db2.gz AJDCLALTMGNICP-ROUUACIJSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000960674633 1216784984 /nfs/dbraw/zinc/78/49/84/1216784984.db2.gz AJDCLALTMGNICP-ROUUACIJSA-N 2 1 345.512 2.269 20 30 EEEDMP C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961027883 1217013292 /nfs/dbraw/zinc/01/32/92/1217013292.db2.gz LNOVWSCJJFPYHX-LJQANCHMSA-N 2 1 340.471 2.077 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961154977 1217061382 /nfs/dbraw/zinc/06/13/82/1217061382.db2.gz ILBJIPJUWXNSEU-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961188429 1217077605 /nfs/dbraw/zinc/07/76/05/1217077605.db2.gz VLLHKNSTQQCHOQ-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230566 1217099725 /nfs/dbraw/zinc/09/97/25/1217099725.db2.gz KWAIBJAAFXSWOD-ROUUACIJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230566 1217099728 /nfs/dbraw/zinc/09/97/28/1217099728.db2.gz KWAIBJAAFXSWOD-ROUUACIJSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963356212 1217550848 /nfs/dbraw/zinc/55/08/48/1217550848.db2.gz CDDVEHMHRSCMRL-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963356212 1217550852 /nfs/dbraw/zinc/55/08/52/1217550852.db2.gz CDDVEHMHRSCMRL-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963356212 1217550854 /nfs/dbraw/zinc/55/08/54/1217550854.db2.gz CDDVEHMHRSCMRL-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360167 1217555390 /nfs/dbraw/zinc/55/53/90/1217555390.db2.gz KZWRCGOXCNPPKT-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360167 1217555392 /nfs/dbraw/zinc/55/53/92/1217555392.db2.gz KZWRCGOXCNPPKT-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360167 1217555395 /nfs/dbraw/zinc/55/53/95/1217555395.db2.gz KZWRCGOXCNPPKT-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384297 1217580768 /nfs/dbraw/zinc/58/07/68/1217580768.db2.gz SSEDBMYZBYUWGF-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963428220 1217622263 /nfs/dbraw/zinc/62/22/63/1217622263.db2.gz KEMFMBBTNNTYOO-RTBURBONSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000967499831 1220569746 /nfs/dbraw/zinc/56/97/46/1220569746.db2.gz REYUUNPOKORPQL-QFBILLFUSA-N 2 1 336.439 2.336 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968859055 1221628383 /nfs/dbraw/zinc/62/83/83/1221628383.db2.gz LFQLGGYWMXWVNJ-DLBZAZTESA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968859055 1221628387 /nfs/dbraw/zinc/62/83/87/1221628387.db2.gz LFQLGGYWMXWVNJ-DLBZAZTESA-N 2 1 339.911 2.442 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000968890534 1221650063 /nfs/dbraw/zinc/65/00/63/1221650063.db2.gz JYBKSSKDQIRKNP-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000968890534 1221650065 /nfs/dbraw/zinc/65/00/65/1221650065.db2.gz JYBKSSKDQIRKNP-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000968890534 1221650067 /nfs/dbraw/zinc/65/00/67/1221650067.db2.gz JYBKSSKDQIRKNP-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008991323 1223106142 /nfs/dbraw/zinc/10/61/42/1223106142.db2.gz CMDSUYXTUGNOMC-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008991323 1223106145 /nfs/dbraw/zinc/10/61/45/1223106145.db2.gz CMDSUYXTUGNOMC-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014412050 1226587595 /nfs/dbraw/zinc/58/75/95/1226587595.db2.gz FDUROUZZFLVWSR-RTBURBONSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014412050 1226587600 /nfs/dbraw/zinc/58/76/00/1226587600.db2.gz FDUROUZZFLVWSR-RTBURBONSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001014412050 1226587607 /nfs/dbraw/zinc/58/76/07/1226587607.db2.gz FDUROUZZFLVWSR-RTBURBONSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001014412050 1226587612 /nfs/dbraw/zinc/58/76/12/1226587612.db2.gz FDUROUZZFLVWSR-RTBURBONSA-N 2 1 340.471 2.122 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001017851973 1227797453 /nfs/dbraw/zinc/79/74/53/1227797453.db2.gz LEOJZFZXDZYYSW-RYQLBKOJSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001017851973 1227797460 /nfs/dbraw/zinc/79/74/60/1227797460.db2.gz LEOJZFZXDZYYSW-RYQLBKOJSA-N 2 1 328.460 2.005 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001038502269 1229874710 /nfs/dbraw/zinc/87/47/10/1229874710.db2.gz MKYWYYXDPKTDLB-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2=CCCCC2)CC1 ZINC001039041303 1230257370 /nfs/dbraw/zinc/25/73/70/1230257370.db2.gz CBBHNWKDAKGUJM-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039132772 1230342829 /nfs/dbraw/zinc/34/28/29/1230342829.db2.gz BJJDJTQJKMXKMN-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039132770 1230343371 /nfs/dbraw/zinc/34/33/71/1230343371.db2.gz BJJDJTQJKMXKMN-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228538 1230461248 /nfs/dbraw/zinc/46/12/48/1230461248.db2.gz IZWGAXRWRRBNRS-VQIMIIECSA-N 2 1 336.439 2.284 20 30 EEEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001040393735 1231204610 /nfs/dbraw/zinc/20/46/10/1231204610.db2.gz DCCURYUAFKGHFU-VQTJNVASSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001040393735 1231204612 /nfs/dbraw/zinc/20/46/12/1231204612.db2.gz DCCURYUAFKGHFU-VQTJNVASSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001040393735 1231204615 /nfs/dbraw/zinc/20/46/15/1231204615.db2.gz DCCURYUAFKGHFU-VQTJNVASSA-N 2 1 349.494 2.147 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001040394896 1231205816 /nfs/dbraw/zinc/20/58/16/1231205816.db2.gz MEWNFUKVYYPXSP-YJBOKZPZSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040394896 1231205819 /nfs/dbraw/zinc/20/58/19/1231205819.db2.gz MEWNFUKVYYPXSP-YJBOKZPZSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040394896 1231205821 /nfs/dbraw/zinc/20/58/21/1231205821.db2.gz MEWNFUKVYYPXSP-YJBOKZPZSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040394896 1231205825 /nfs/dbraw/zinc/20/58/25/1231205825.db2.gz MEWNFUKVYYPXSP-YJBOKZPZSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001040731535 1231351475 /nfs/dbraw/zinc/35/14/75/1231351475.db2.gz MPKYREXGPUNOIV-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001040731535 1231351478 /nfs/dbraw/zinc/35/14/78/1231351478.db2.gz MPKYREXGPUNOIV-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848211 1231387231 /nfs/dbraw/zinc/38/72/31/1231387231.db2.gz FVXPQOHNELNKRZ-HOCLYGCPSA-N 2 1 339.911 2.251 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041791249 1231696517 /nfs/dbraw/zinc/69/65/17/1231696517.db2.gz IGSKKKDVTVWPNO-LJQANCHMSA-N 2 1 328.460 2.262 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041791249 1231696518 /nfs/dbraw/zinc/69/65/18/1231696518.db2.gz IGSKKKDVTVWPNO-LJQANCHMSA-N 2 1 328.460 2.262 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](C[C@@H](C)CC)C3)C2)CC1 ZINC001041842710 1231726559 /nfs/dbraw/zinc/72/65/59/1231726559.db2.gz ATOAOEWCQXEDRZ-RXVVDRJESA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234931 1231973739 /nfs/dbraw/zinc/97/37/39/1231973739.db2.gz PPIXBUUTTXSRAB-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234931 1231973741 /nfs/dbraw/zinc/97/37/41/1231973741.db2.gz PPIXBUUTTXSRAB-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234931 1231973742 /nfs/dbraw/zinc/97/37/42/1231973742.db2.gz PPIXBUUTTXSRAB-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234931 1231973744 /nfs/dbraw/zinc/97/37/44/1231973744.db2.gz PPIXBUUTTXSRAB-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042256435 1231986313 /nfs/dbraw/zinc/98/63/13/1231986313.db2.gz XDXXIZKIGMMMQB-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042256435 1231986316 /nfs/dbraw/zinc/98/63/16/1231986316.db2.gz XDXXIZKIGMMMQB-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001043941602 1232631213 /nfs/dbraw/zinc/63/12/13/1232631213.db2.gz DKEGWPRVPFKBOK-MOPGFXCFSA-N 2 1 327.472 2.051 20 30 EEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001043941602 1232631218 /nfs/dbraw/zinc/63/12/18/1232631218.db2.gz DKEGWPRVPFKBOK-MOPGFXCFSA-N 2 1 327.472 2.051 20 30 EEEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001044745703 1233230973 /nfs/dbraw/zinc/23/09/73/1233230973.db2.gz YYQOKHBAJZQGAX-CABCVRRESA-N 2 1 332.448 2.039 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001045043499 1233463419 /nfs/dbraw/zinc/46/34/19/1233463419.db2.gz GRXJTRNPIYGHIP-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3nc[nH]c31)C2 ZINC001045965841 1234244140 /nfs/dbraw/zinc/24/41/40/1234244140.db2.gz LXUNIEKZJVVTIQ-UZLBHIALSA-N 2 1 340.471 2.167 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047245501 1235739044 /nfs/dbraw/zinc/73/90/44/1235739044.db2.gz ZHAUFBBCRVSVES-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263223 1235772681 /nfs/dbraw/zinc/77/26/81/1235772681.db2.gz CBLUHLNCZGKWQM-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001048532865 1237893798 /nfs/dbraw/zinc/89/37/98/1237893798.db2.gz IZTWOUNCNFUDSJ-NSGFZLHOSA-N 2 1 349.906 2.196 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001048532865 1237893803 /nfs/dbraw/zinc/89/38/03/1237893803.db2.gz IZTWOUNCNFUDSJ-NSGFZLHOSA-N 2 1 349.906 2.196 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C/C=C/Cl ZINC001048532865 1237893817 /nfs/dbraw/zinc/89/38/17/1237893817.db2.gz IZTWOUNCNFUDSJ-NSGFZLHOSA-N 2 1 349.906 2.196 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C/C=C/Cl ZINC001048532865 1237893829 /nfs/dbraw/zinc/89/38/29/1237893829.db2.gz IZTWOUNCNFUDSJ-NSGFZLHOSA-N 2 1 349.906 2.196 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574232 1237998998 /nfs/dbraw/zinc/99/89/98/1237998998.db2.gz STMPAQSDNFGQRX-KNJMJIDISA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048574232 1237999001 /nfs/dbraw/zinc/99/90/01/1237999001.db2.gz STMPAQSDNFGQRX-KNJMJIDISA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048574232 1237999004 /nfs/dbraw/zinc/99/90/04/1237999004.db2.gz STMPAQSDNFGQRX-KNJMJIDISA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]2C1 ZINC001048870249 1239096621 /nfs/dbraw/zinc/09/66/21/1239096621.db2.gz USNDYKWMSWBENL-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]2C1 ZINC001048870249 1239096631 /nfs/dbraw/zinc/09/66/31/1239096631.db2.gz USNDYKWMSWBENL-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001048870249 1239096640 /nfs/dbraw/zinc/09/66/40/1239096640.db2.gz USNDYKWMSWBENL-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001048870249 1239096652 /nfs/dbraw/zinc/09/66/52/1239096652.db2.gz USNDYKWMSWBENL-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049089471 1239970876 /nfs/dbraw/zinc/97/08/76/1239970876.db2.gz PNZZWJAQEMJHFC-CALCHBBNSA-N 2 1 330.476 2.363 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049089471 1239970883 /nfs/dbraw/zinc/97/08/83/1239970883.db2.gz PNZZWJAQEMJHFC-CALCHBBNSA-N 2 1 330.476 2.363 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478359 1241075310 /nfs/dbraw/zinc/07/53/10/1241075310.db2.gz NEFQHEPITZVWTB-IXDOHACOSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478359 1241075314 /nfs/dbraw/zinc/07/53/14/1241075314.db2.gz NEFQHEPITZVWTB-IXDOHACOSA-N 2 1 337.895 2.146 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049842519 1242383911 /nfs/dbraw/zinc/38/39/11/1242383911.db2.gz LSXQQYMDPXYLDM-WOJBJXKFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913391 1242675688 /nfs/dbraw/zinc/67/56/88/1242675688.db2.gz WPRXRMBYBQXWMY-RTBURBONSA-N 2 1 325.456 2.060 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001050140742 1242965452 /nfs/dbraw/zinc/96/54/52/1242965452.db2.gz PCUPEEHHVPMGOW-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001050140742 1242965461 /nfs/dbraw/zinc/96/54/61/1242965461.db2.gz PCUPEEHHVPMGOW-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050728772 1244229674 /nfs/dbraw/zinc/22/96/74/1244229674.db2.gz VGCKUKWPIFNMQL-OAHLLOKOSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555689 1244356025 /nfs/dbraw/zinc/35/60/25/1244356025.db2.gz RDVYQAVUSUDNLM-KYJSFNMBSA-N 2 1 328.460 2.060 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555689 1244356037 /nfs/dbraw/zinc/35/60/37/1244356037.db2.gz RDVYQAVUSUDNLM-KYJSFNMBSA-N 2 1 328.460 2.060 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052713106 1244812894 /nfs/dbraw/zinc/81/28/94/1244812894.db2.gz QVXACVFKTOGUFG-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052713106 1244812902 /nfs/dbraw/zinc/81/29/02/1244812902.db2.gz QVXACVFKTOGUFG-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)cccc2C1 ZINC001051299467 1245499437 /nfs/dbraw/zinc/49/94/37/1245499437.db2.gz LOKHPTZQSUTWMF-UZLBHIALSA-N 2 1 341.499 2.435 20 30 EEEDMP C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cccc2C1 ZINC001051299467 1245499444 /nfs/dbraw/zinc/49/94/44/1245499444.db2.gz LOKHPTZQSUTWMF-UZLBHIALSA-N 2 1 341.499 2.435 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cccc2C1 ZINC001051299467 1245499452 /nfs/dbraw/zinc/49/94/52/1245499452.db2.gz LOKHPTZQSUTWMF-UZLBHIALSA-N 2 1 341.499 2.435 20 30 EEEDMP C#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029539 1245713314 /nfs/dbraw/zinc/71/33/14/1245713314.db2.gz SRCXQDANJBIREA-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029539 1245713322 /nfs/dbraw/zinc/71/33/22/1245713322.db2.gz SRCXQDANJBIREA-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029539 1245713328 /nfs/dbraw/zinc/71/33/28/1245713328.db2.gz SRCXQDANJBIREA-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053032965 1245725895 /nfs/dbraw/zinc/72/58/95/1245725895.db2.gz QKZUETCSHBWQSB-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054042426 1247208147 /nfs/dbraw/zinc/20/81/47/1247208147.db2.gz YNUYQHYQRXKVGA-AYOQOUSVSA-N 2 1 327.472 2.056 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042426 1247208152 /nfs/dbraw/zinc/20/81/52/1247208152.db2.gz YNUYQHYQRXKVGA-AYOQOUSVSA-N 2 1 327.472 2.056 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042426 1247208160 /nfs/dbraw/zinc/20/81/60/1247208160.db2.gz YNUYQHYQRXKVGA-AYOQOUSVSA-N 2 1 327.472 2.056 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042426 1247208171 /nfs/dbraw/zinc/20/81/71/1247208171.db2.gz YNUYQHYQRXKVGA-AYOQOUSVSA-N 2 1 327.472 2.056 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129432 1247471798 /nfs/dbraw/zinc/47/17/98/1247471798.db2.gz QSJHNYWYCLVMGL-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129432 1247471805 /nfs/dbraw/zinc/47/18/05/1247471805.db2.gz QSJHNYWYCLVMGL-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129432 1247471808 /nfs/dbraw/zinc/47/18/08/1247471808.db2.gz QSJHNYWYCLVMGL-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159248 1247564049 /nfs/dbraw/zinc/56/40/49/1247564049.db2.gz UTFPPAMUIUAVAS-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159248 1247564054 /nfs/dbraw/zinc/56/40/54/1247564054.db2.gz UTFPPAMUIUAVAS-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159248 1247564063 /nfs/dbraw/zinc/56/40/63/1247564063.db2.gz UTFPPAMUIUAVAS-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054181847 1247633511 /nfs/dbraw/zinc/63/35/11/1247633511.db2.gz AFHBGVMVEAASDJ-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054181847 1247633519 /nfs/dbraw/zinc/63/35/19/1247633519.db2.gz AFHBGVMVEAASDJ-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054181847 1247633528 /nfs/dbraw/zinc/63/35/28/1247633528.db2.gz AFHBGVMVEAASDJ-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199224 1247694922 /nfs/dbraw/zinc/69/49/22/1247694922.db2.gz QIKBIERIXCCTQX-RDJZCZTQSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209761 1247725970 /nfs/dbraw/zinc/72/59/70/1247725970.db2.gz XFDZJPTVJSTJPL-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662840 1247813767 /nfs/dbraw/zinc/81/37/67/1247813767.db2.gz KQCJWUVHBUDUNL-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662840 1247813781 /nfs/dbraw/zinc/81/37/81/1247813781.db2.gz KQCJWUVHBUDUNL-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)cc2C1 ZINC001054281549 1247998104 /nfs/dbraw/zinc/99/81/04/1247998104.db2.gz PPMXXILLUDRGEN-DNVCBOLYSA-N 2 1 327.472 2.392 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281549 1247998116 /nfs/dbraw/zinc/99/81/16/1247998116.db2.gz PPMXXILLUDRGEN-DNVCBOLYSA-N 2 1 327.472 2.392 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281549 1247998125 /nfs/dbraw/zinc/99/81/25/1247998125.db2.gz PPMXXILLUDRGEN-DNVCBOLYSA-N 2 1 327.472 2.392 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCC)C3)CC1 ZINC001099174549 1257994197 /nfs/dbraw/zinc/99/41/97/1257994197.db2.gz SJEQNGUGCIXYDJ-ICSRJNTNSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099250281 1258035503 /nfs/dbraw/zinc/03/55/03/1258035503.db2.gz FJLGLVSCJOFUSJ-MCIONIFRSA-N 2 1 333.398 2.024 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001099583408 1258226708 /nfs/dbraw/zinc/22/67/08/1258226708.db2.gz QVPRUURFGIXETN-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099583408 1258226713 /nfs/dbraw/zinc/22/67/13/1258226713.db2.gz QVPRUURFGIXETN-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099583408 1258226720 /nfs/dbraw/zinc/22/67/20/1258226720.db2.gz QVPRUURFGIXETN-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188189627 1279786983 /nfs/dbraw/zinc/78/69/83/1279786983.db2.gz OFQPCELXOOSEDO-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188189627 1279786991 /nfs/dbraw/zinc/78/69/91/1279786991.db2.gz OFQPCELXOOSEDO-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188189627 1279787000 /nfs/dbraw/zinc/78/70/00/1279787000.db2.gz OFQPCELXOOSEDO-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001205483573 1280632829 /nfs/dbraw/zinc/63/28/29/1280632829.db2.gz JAILMWGWQSVNMQ-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192353340 1281944471 /nfs/dbraw/zinc/94/44/71/1281944471.db2.gz CMXAQIAODSTOQG-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192353340 1281944478 /nfs/dbraw/zinc/94/44/78/1281944478.db2.gz CMXAQIAODSTOQG-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711413 1283885506 /nfs/dbraw/zinc/88/55/06/1283885506.db2.gz CWGUTUCJOJVMJZ-CTNGQTDRSA-N 2 1 341.499 2.442 20 30 EEEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201238572 1289372006 /nfs/dbraw/zinc/37/20/06/1289372006.db2.gz BOXPXTUMEQCMRW-SJLPKXTDSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201238572 1289372018 /nfs/dbraw/zinc/37/20/18/1289372018.db2.gz BOXPXTUMEQCMRW-SJLPKXTDSA-N 2 1 339.524 2.257 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCCO1 ZINC001201849640 1289787097 /nfs/dbraw/zinc/78/70/97/1289787097.db2.gz XPAGRZQVAPTTAG-OALUTQOASA-N 2 1 345.487 2.073 20 30 EEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882612 1296266403 /nfs/dbraw/zinc/26/64/03/1296266403.db2.gz GUKVHSCLDWXDKM-UHFFFAOYSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001072882612 1296266413 /nfs/dbraw/zinc/26/64/13/1296266413.db2.gz GUKVHSCLDWXDKM-UHFFFAOYSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001072882612 1296266419 /nfs/dbraw/zinc/26/64/19/1296266419.db2.gz GUKVHSCLDWXDKM-UHFFFAOYSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001098946032 1298778892 /nfs/dbraw/zinc/77/88/92/1298778892.db2.gz VQWBWLDMNVZPID-JXFKEZNVSA-N 2 1 342.487 2.309 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001098946032 1298778898 /nfs/dbraw/zinc/77/88/98/1298778898.db2.gz VQWBWLDMNVZPID-JXFKEZNVSA-N 2 1 342.487 2.309 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001224024378 1300381454 /nfs/dbraw/zinc/38/14/54/1300381454.db2.gz JVSFKIQJILBYTC-UHFFFAOYSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225525818 1301037558 /nfs/dbraw/zinc/03/75/58/1301037558.db2.gz VSOBQQBRNHIAQK-KZNAEPCWSA-N 2 1 337.508 2.080 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225525818 1301037572 /nfs/dbraw/zinc/03/75/72/1301037572.db2.gz VSOBQQBRNHIAQK-KZNAEPCWSA-N 2 1 337.508 2.080 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601801 1301274897 /nfs/dbraw/zinc/27/48/97/1301274897.db2.gz QFSZAALAVHAVHX-GUDVDZBRSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CCCCCC[NH+]1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001277152733 1301535558 /nfs/dbraw/zinc/53/55/58/1301535558.db2.gz UNFYDTWLLYXTKW-SFHVURJKSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001103536961 1303084220 /nfs/dbraw/zinc/08/42/20/1303084220.db2.gz KXOLJWIIOJSVEL-YLJYHZDGSA-N 2 1 341.499 2.459 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001103631294 1303175732 /nfs/dbraw/zinc/17/57/32/1303175732.db2.gz GTOHKJBHYGFWQT-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001103631294 1303175736 /nfs/dbraw/zinc/17/57/36/1303175736.db2.gz GTOHKJBHYGFWQT-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001103631294 1303175744 /nfs/dbraw/zinc/17/57/44/1303175744.db2.gz GTOHKJBHYGFWQT-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[NH+](CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230781289 1303452080 /nfs/dbraw/zinc/45/20/80/1303452080.db2.gz INPHABKJQSVHDT-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230781289 1303452085 /nfs/dbraw/zinc/45/20/85/1303452085.db2.gz INPHABKJQSVHDT-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230781289 1303452090 /nfs/dbraw/zinc/45/20/90/1303452090.db2.gz INPHABKJQSVHDT-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230849818 1303500683 /nfs/dbraw/zinc/50/06/83/1303500683.db2.gz XPHVFSYTAOEFRW-SFHVURJKSA-N 2 1 332.492 2.306 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F ZINC001112130976 1304265584 /nfs/dbraw/zinc/26/55/84/1304265584.db2.gz DLDYMNZIOXAINH-ZIAGYGMSSA-N 2 1 344.381 2.137 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166046 1304290547 /nfs/dbraw/zinc/29/05/47/1304290547.db2.gz BGQHEVGYNKISBD-RRFJBIMHSA-N 2 1 347.425 2.416 20 30 EEEDMP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C)cc3C#N)CC[C@@H]2C1 ZINC001232965439 1304308774 /nfs/dbraw/zinc/30/87/74/1304308774.db2.gz ZCGNVRSQBARLHW-UYAOXDASSA-N 2 1 343.471 2.036 20 30 EEEDMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C)cc3C#N)CC[C@@H]2C1 ZINC001232965439 1304308780 /nfs/dbraw/zinc/30/87/80/1304308780.db2.gz ZCGNVRSQBARLHW-UYAOXDASSA-N 2 1 343.471 2.036 20 30 EEEDMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C)cc3C#N)CC[C@@H]2C1 ZINC001232965439 1304308785 /nfs/dbraw/zinc/30/87/85/1304308785.db2.gz ZCGNVRSQBARLHW-UYAOXDASSA-N 2 1 343.471 2.036 20 30 EEEDMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C)cc3C#N)CC[C@@H]2C1 ZINC001232965439 1304308789 /nfs/dbraw/zinc/30/87/89/1304308789.db2.gz ZCGNVRSQBARLHW-UYAOXDASSA-N 2 1 343.471 2.036 20 30 EEEDMP N#CC1(NC(=O)[C@@H]2CCC[C@@]23CC[N@@H+](CC2CC[NH2+]CC2)C3)CCC1 ZINC001277821084 1304659666 /nfs/dbraw/zinc/65/96/66/1304659666.db2.gz CRXJKVBYFKLLKC-HKUYNNGSSA-N 2 1 344.503 2.041 20 30 EEEDMP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235002546 1305080456 /nfs/dbraw/zinc/08/04/56/1305080456.db2.gz RNEUQOQZNVTWGF-YADHBBJMSA-N 2 1 332.447 2.100 20 30 EEEDMP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235002546 1305080463 /nfs/dbraw/zinc/08/04/63/1305080463.db2.gz RNEUQOQZNVTWGF-YADHBBJMSA-N 2 1 332.447 2.100 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246304514 1310276351 /nfs/dbraw/zinc/27/63/51/1310276351.db2.gz NHQRALOETMIGGC-ZOBUZTSGSA-N 3 1 325.497 2.112 20 30 EEEDMP Cc1cc(F)ccc1C[N@H+](C1CC[NH2+]CC1)[C@H]1CCN[C@H](C#N)C1 ZINC001246959440 1310479627 /nfs/dbraw/zinc/47/96/27/1310479627.db2.gz IKRFRRKIMFGTCQ-HKUYNNGSSA-N 2 1 330.451 2.332 20 30 EEEDMP Cc1cc(F)ccc1C[N@@H+](C1CC[NH2+]CC1)[C@H]1CCN[C@H](C#N)C1 ZINC001246959440 1310479632 /nfs/dbraw/zinc/47/96/32/1310479632.db2.gz IKRFRRKIMFGTCQ-HKUYNNGSSA-N 2 1 330.451 2.332 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnc3[nH]ccc3c2)CC1 ZINC001138739831 1314654817 /nfs/dbraw/zinc/65/48/17/1314654817.db2.gz FLPUBHMFLHWRFW-UHFFFAOYSA-N 2 1 339.487 2.355 20 30 EEEDMP C=CCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001149399795 1315958437 /nfs/dbraw/zinc/95/84/37/1315958437.db2.gz TXOQFHNZJOXUDG-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149399795 1315958439 /nfs/dbraw/zinc/95/84/39/1315958439.db2.gz TXOQFHNZJOXUDG-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149399795 1315958441 /nfs/dbraw/zinc/95/84/41/1315958441.db2.gz TXOQFHNZJOXUDG-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149727901 1316027526 /nfs/dbraw/zinc/02/75/26/1316027526.db2.gz QLPACUGHZWRBHQ-QGZVFWFLSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149841848 1316062404 /nfs/dbraw/zinc/06/24/04/1316062404.db2.gz KYRZLZGQILMOIO-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149841848 1316062411 /nfs/dbraw/zinc/06/24/11/1316062411.db2.gz KYRZLZGQILMOIO-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149841848 1316062416 /nfs/dbraw/zinc/06/24/16/1316062416.db2.gz KYRZLZGQILMOIO-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001149946690 1316098623 /nfs/dbraw/zinc/09/86/23/1316098623.db2.gz MBSWUBSNMSLVAD-MSOLQXFVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001150780109 1316372567 /nfs/dbraw/zinc/37/25/67/1316372567.db2.gz ZEZPMSWZGFEYTJ-RBUKOAKNSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001150780109 1316372572 /nfs/dbraw/zinc/37/25/72/1316372572.db2.gz ZEZPMSWZGFEYTJ-RBUKOAKNSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCCC[NH+]1CCC(CCOC)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001151403002 1316521731 /nfs/dbraw/zinc/52/17/31/1316521731.db2.gz RBHOWABETVOVTP-UHFFFAOYSA-N 2 1 339.524 2.282 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226078 1317509272 /nfs/dbraw/zinc/50/92/72/1317509272.db2.gz GUSZIKCSMJQXCN-DLBZAZTESA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226078 1317509276 /nfs/dbraw/zinc/50/92/76/1317509276.db2.gz GUSZIKCSMJQXCN-DLBZAZTESA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226078 1317509282 /nfs/dbraw/zinc/50/92/82/1317509282.db2.gz GUSZIKCSMJQXCN-DLBZAZTESA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H]1CN(O)C(=O)[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255131085 1318293816 /nfs/dbraw/zinc/29/38/16/1318293816.db2.gz XWENBOWNMWBHTP-JFMONLCZSA-N 2 1 329.444 2.008 20 30 EEEDMP C#CC[C@]1(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001157615187 1318749036 /nfs/dbraw/zinc/74/90/36/1318749036.db2.gz BJHPBHLALXNAGA-LVCYWYKZSA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[C@]1(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001157615187 1318749044 /nfs/dbraw/zinc/74/90/44/1318749044.db2.gz BJHPBHLALXNAGA-LVCYWYKZSA-N 2 1 339.483 2.253 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258727172 1319328673 /nfs/dbraw/zinc/32/86/73/1319328673.db2.gz CIWVCNKMWZAJDU-QGZVFWFLSA-N 2 1 347.507 2.451 20 30 EEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158955400 1319527669 /nfs/dbraw/zinc/52/76/69/1319527669.db2.gz IXHQYNXFFGWAIX-HXUWFJFHSA-N 2 1 341.499 2.455 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158955400 1319527675 /nfs/dbraw/zinc/52/76/75/1319527675.db2.gz IXHQYNXFFGWAIX-HXUWFJFHSA-N 2 1 341.499 2.455 20 30 EEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001158955400 1319527682 /nfs/dbraw/zinc/52/76/82/1319527682.db2.gz IXHQYNXFFGWAIX-HXUWFJFHSA-N 2 1 341.499 2.455 20 30 EEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001158955400 1319527688 /nfs/dbraw/zinc/52/76/88/1319527688.db2.gz IXHQYNXFFGWAIX-HXUWFJFHSA-N 2 1 341.499 2.455 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C)cc1Cl ZINC001160209832 1320099785 /nfs/dbraw/zinc/09/97/85/1320099785.db2.gz XYNLCJWAQMUHFY-SFHVURJKSA-N 2 1 347.890 2.342 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C)cc1Cl ZINC001160209832 1320099789 /nfs/dbraw/zinc/09/97/89/1320099789.db2.gz XYNLCJWAQMUHFY-SFHVURJKSA-N 2 1 347.890 2.342 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CC3CCC3)CC2)CC1 ZINC001161946840 1320688221 /nfs/dbraw/zinc/68/82/21/1320688221.db2.gz HRIRQWJMQMMPLM-UHFFFAOYSA-N 2 1 343.515 2.270 20 30 EEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001166205527 1321677918 /nfs/dbraw/zinc/67/79/18/1321677918.db2.gz MWKYPJRJXFMTAS-UHFFFAOYSA-N 2 1 330.476 2.214 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001166677188 1321762667 /nfs/dbraw/zinc/76/26/67/1321762667.db2.gz GMPJSMGQRTXHEC-INIZCTEOSA-N 2 1 347.890 2.129 20 30 EEEDMP CC(C)c1[nH+]ccn1CC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001262558335 1322322891 /nfs/dbraw/zinc/32/28/91/1322322891.db2.gz BGBFZXJFCNRARL-UHFFFAOYSA-N 2 1 325.416 2.497 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001205457478 1323144031 /nfs/dbraw/zinc/14/40/31/1323144031.db2.gz AJHHMELMRYYLQH-LJQANCHMSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205479158 1323154018 /nfs/dbraw/zinc/15/40/18/1323154018.db2.gz BSBOOIQGZCHOEH-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205479158 1323154021 /nfs/dbraw/zinc/15/40/21/1323154021.db2.gz BSBOOIQGZCHOEH-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001206952476 1323738801 /nfs/dbraw/zinc/73/88/01/1323738801.db2.gz QJRAGERPJBBJNX-UHFFFAOYSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207054017 1323816603 /nfs/dbraw/zinc/81/66/03/1323816603.db2.gz DEFHYVCSCSQCCP-UHFFFAOYSA-N 2 1 339.487 2.126 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334120 1324432991 /nfs/dbraw/zinc/43/29/91/1324432991.db2.gz FVQBXIGOWRYUCG-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576102 1324570593 /nfs/dbraw/zinc/57/05/93/1324570593.db2.gz CGORAGDFNMCXCX-MRXNPFEDSA-N 2 1 330.476 2.309 20 30 EEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001209162263 1324829887 /nfs/dbraw/zinc/82/98/87/1324829887.db2.gz UNAGARDHQGWOMO-QYZOEREBSA-N 2 1 329.492 2.419 20 30 EEEDMP C=CCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001209162263 1324829893 /nfs/dbraw/zinc/82/98/93/1324829893.db2.gz UNAGARDHQGWOMO-QYZOEREBSA-N 2 1 329.492 2.419 20 30 EEEDMP C=CCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001209162263 1324829896 /nfs/dbraw/zinc/82/98/96/1324829896.db2.gz UNAGARDHQGWOMO-QYZOEREBSA-N 2 1 329.492 2.419 20 30 EEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209726107 1325022733 /nfs/dbraw/zinc/02/27/33/1325022733.db2.gz VMQPXCFOVNORSB-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001210482398 1325303624 /nfs/dbraw/zinc/30/36/24/1325303624.db2.gz NDKBSSFVYBBXHE-LJQANCHMSA-N 2 1 345.462 2.100 20 30 EEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001326147935 1334033305 /nfs/dbraw/zinc/03/33/05/1334033305.db2.gz VWLCZAOLFKMMSD-CQSZACIVSA-N 2 1 325.416 2.318 20 30 EEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001100675657 1373115766 /nfs/dbraw/zinc/11/57/66/1373115766.db2.gz QFGUKMFHVDHBDF-UHFFFAOYSA-N 2 1 346.475 2.335 20 30 EEEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001365315286 1373699953 /nfs/dbraw/zinc/69/99/53/1373699953.db2.gz AMMXFBNQESSJOV-VVJOJPPRSA-N 2 1 346.519 2.189 20 30 EEEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001365315286 1373699964 /nfs/dbraw/zinc/69/99/64/1373699964.db2.gz AMMXFBNQESSJOV-VVJOJPPRSA-N 2 1 346.519 2.189 20 30 EEEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001365315286 1373699969 /nfs/dbraw/zinc/69/99/69/1373699969.db2.gz AMMXFBNQESSJOV-VVJOJPPRSA-N 2 1 346.519 2.189 20 30 EEEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001365315286 1373699976 /nfs/dbraw/zinc/69/99/76/1373699976.db2.gz AMMXFBNQESSJOV-VVJOJPPRSA-N 2 1 346.519 2.189 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)cc1F ZINC001372557091 1376073065 /nfs/dbraw/zinc/07/30/65/1376073065.db2.gz QNOKNNQAHWECBK-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)cc1F ZINC001372557091 1376073072 /nfs/dbraw/zinc/07/30/72/1376073072.db2.gz QNOKNNQAHWECBK-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001372557091 1376073077 /nfs/dbraw/zinc/07/30/77/1376073077.db2.gz QNOKNNQAHWECBK-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001372557091 1376073081 /nfs/dbraw/zinc/07/30/81/1376073081.db2.gz QNOKNNQAHWECBK-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001374164676 1376604135 /nfs/dbraw/zinc/60/41/35/1376604135.db2.gz CKAASDAKZQGFIK-GOSISDBHSA-N 2 1 340.471 2.171 20 30 EEEDMP C=C(Br)C[NH2+]CC1(NC(=O)CC[N@H+](C)CC)CCCC1 ZINC001378371532 1379893576 /nfs/dbraw/zinc/89/35/76/1379893576.db2.gz GPXQCWAVNADXLY-UHFFFAOYSA-N 2 1 346.313 2.255 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001394122976 1390622546 /nfs/dbraw/zinc/62/25/46/1390622546.db2.gz GOZNPFRTOYLJLF-YJBOKZPZSA-N 2 1 330.476 2.081 20 30 EEEDMP C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001752910706 1406537451 /nfs/dbraw/zinc/53/74/51/1406537451.db2.gz UVGOOWWYHDNPLN-GJZGRUSLSA-N 2 1 327.432 2.330 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001399719248 1395438879 /nfs/dbraw/zinc/43/88/79/1395438879.db2.gz ILLYOGDYSLVZHR-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC001399719248 1395438886 /nfs/dbraw/zinc/43/88/86/1395438886.db2.gz ILLYOGDYSLVZHR-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC001399719248 1395438892 /nfs/dbraw/zinc/43/88/92/1395438892.db2.gz ILLYOGDYSLVZHR-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001402530060 1398040543 /nfs/dbraw/zinc/04/05/43/1398040543.db2.gz OEBFRZOWDRLYMU-CQSZACIVSA-N 2 1 346.313 2.208 20 30 EEEDMP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001754639402 1406937289 /nfs/dbraw/zinc/93/72/89/1406937289.db2.gz GNQZLQCQWFESMM-WMZOPIPTSA-N 2 1 337.483 2.145 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001403058902 1398328258 /nfs/dbraw/zinc/32/82/58/1398328258.db2.gz RZIKXXJOOOTSSY-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001403058899 1398328537 /nfs/dbraw/zinc/32/85/37/1398328537.db2.gz RZIKXXJOOOTSSY-GOSISDBHSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001423423960 1400574375 /nfs/dbraw/zinc/57/43/75/1400574375.db2.gz ZWMPVQGDJOEUOM-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001423423960 1400574378 /nfs/dbraw/zinc/57/43/78/1400574378.db2.gz ZWMPVQGDJOEUOM-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001423423960 1400574382 /nfs/dbraw/zinc/57/43/82/1400574382.db2.gz ZWMPVQGDJOEUOM-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001755138426 1407147881 /nfs/dbraw/zinc/14/78/81/1407147881.db2.gz MODXYIJOVZCVHF-HOTGVXAUSA-N 2 1 327.488 2.459 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)s2)[C@@H]1C ZINC001425934117 1401811940 /nfs/dbraw/zinc/81/19/40/1401811940.db2.gz IJHWMVAZJQFHJG-RHSMWYFYSA-N 2 1 348.516 2.431 20 30 EEEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000691565048 1410397140 /nfs/dbraw/zinc/39/71/40/1410397140.db2.gz WVMGCZONESFSEJ-RBUKOAKNSA-N 2 1 342.487 2.426 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115537005 1411034429 /nfs/dbraw/zinc/03/44/29/1411034429.db2.gz RNQWCHZHLSQCCD-ZWKOTPCHSA-N 2 1 331.504 2.293 20 30 EEEDMP Cc1cc(C#N)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1C ZINC001164684973 719616946 /nfs/dbraw/zinc/61/69/46/719616946.db2.gz PMHQXPFVQZNSRE-UHFFFAOYSA-N 2 1 338.459 2.242 20 30 EEEDMP Cc1cc(C#N)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1C ZINC001164684973 719616949 /nfs/dbraw/zinc/61/69/49/719616949.db2.gz PMHQXPFVQZNSRE-UHFFFAOYSA-N 2 1 338.459 2.242 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(=C)C)C1 ZINC001104306101 758304488 /nfs/dbraw/zinc/30/44/88/758304488.db2.gz KUSLXRPXNVYGCB-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(=C)C)C1 ZINC001104306101 758304495 /nfs/dbraw/zinc/30/44/95/758304495.db2.gz KUSLXRPXNVYGCB-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001112538239 769090111 /nfs/dbraw/zinc/09/01/11/769090111.db2.gz XAQJDUVJXUBKAP-LPHOPBHVSA-N 2 1 330.476 2.411 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021196 782780160 /nfs/dbraw/zinc/78/01/60/782780160.db2.gz ZOGDSSDZOUZNHI-MSOLQXFVSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089564547 770408700 /nfs/dbraw/zinc/40/87/00/770408700.db2.gz BQPBBKNTETVETB-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564547 770408703 /nfs/dbraw/zinc/40/87/03/770408703.db2.gz BQPBBKNTETVETB-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564547 770408705 /nfs/dbraw/zinc/40/87/05/770408705.db2.gz BQPBBKNTETVETB-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)[C@@H](C)C2)CC1 ZINC000948069222 770969164 /nfs/dbraw/zinc/96/91/64/770969164.db2.gz DMINGSABINYWAF-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942718889 783049550 /nfs/dbraw/zinc/04/95/50/783049550.db2.gz DKAGGCNSWCFAOD-VQIMIIECSA-N 2 1 329.488 2.417 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001089649226 773742178 /nfs/dbraw/zinc/74/21/78/773742178.db2.gz DZEYXPDARKKTGD-IAGOWNOFSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649226 773742181 /nfs/dbraw/zinc/74/21/81/773742181.db2.gz DZEYXPDARKKTGD-IAGOWNOFSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649226 773742184 /nfs/dbraw/zinc/74/21/84/773742184.db2.gz DZEYXPDARKKTGD-IAGOWNOFSA-N 2 1 342.487 2.391 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980192081 774032804 /nfs/dbraw/zinc/03/28/04/774032804.db2.gz JVVCGKNPEIKAEE-BBWFWOEESA-N 2 1 330.476 2.409 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980192081 774032811 /nfs/dbraw/zinc/03/28/11/774032811.db2.gz JVVCGKNPEIKAEE-BBWFWOEESA-N 2 1 330.476 2.409 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980215651 774125472 /nfs/dbraw/zinc/12/54/72/774125472.db2.gz HXXUTPVHKLGLHA-ZCNNSNEGSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001112531524 774922662 /nfs/dbraw/zinc/92/26/62/774922662.db2.gz BINVBHFIIZEIAB-PXNSSMCTSA-N 2 1 333.520 2.206 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171247809 790463681 /nfs/dbraw/zinc/46/36/81/790463681.db2.gz OMZWDAGHOHYDBO-DLBZAZTESA-N 2 1 348.491 2.228 20 30 EEEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000981169073 776661608 /nfs/dbraw/zinc/66/16/08/776661608.db2.gz NBRRAVPSTPUTJU-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169073 776661618 /nfs/dbraw/zinc/66/16/18/776661618.db2.gz NBRRAVPSTPUTJU-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169073 776661624 /nfs/dbraw/zinc/66/16/24/776661624.db2.gz NBRRAVPSTPUTJU-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]cn1 ZINC001089820712 776949029 /nfs/dbraw/zinc/94/90/29/776949029.db2.gz OGUUPOKJMOBPAY-KANFNMMFSA-N 2 1 342.487 2.477 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnc[nH]1 ZINC001089820712 776949033 /nfs/dbraw/zinc/94/90/33/776949033.db2.gz OGUUPOKJMOBPAY-KANFNMMFSA-N 2 1 342.487 2.477 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnc[nH]1 ZINC001089820712 776949038 /nfs/dbraw/zinc/94/90/38/776949038.db2.gz OGUUPOKJMOBPAY-KANFNMMFSA-N 2 1 342.487 2.477 20 30 EEEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001089828279 777215986 /nfs/dbraw/zinc/21/59/86/777215986.db2.gz RXKBCCUDPNNLJT-LDTOTXGLSA-N 2 1 348.450 2.058 20 30 EEEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3ccnc3CC)C2)C1 ZINC000981781225 778201184 /nfs/dbraw/zinc/20/11/84/778201184.db2.gz WYVIECDDZZQVIU-QGZVFWFLSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981781225 778201186 /nfs/dbraw/zinc/20/11/86/778201186.db2.gz WYVIECDDZZQVIU-QGZVFWFLSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087463148 780965975 /nfs/dbraw/zinc/96/59/75/780965975.db2.gz UIVMORBHNDPTFX-GUDVDZBRSA-N 2 1 345.462 2.380 20 30 EEEDMP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471918 783827079 /nfs/dbraw/zinc/82/70/79/783827079.db2.gz QBJKACVCAFCQAQ-GJZGRUSLSA-N 2 1 334.464 2.333 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035185674 784024519 /nfs/dbraw/zinc/02/45/19/784024519.db2.gz ZBBFKMNSGOGIJE-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185674 784024521 /nfs/dbraw/zinc/02/45/21/784024521.db2.gz ZBBFKMNSGOGIJE-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185674 784024523 /nfs/dbraw/zinc/02/45/23/784024523.db2.gz ZBBFKMNSGOGIJE-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256564 784205071 /nfs/dbraw/zinc/20/50/71/784205071.db2.gz ITOXNUSWPUPEGF-HDICACEKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256564 784205074 /nfs/dbraw/zinc/20/50/74/784205074.db2.gz ITOXNUSWPUPEGF-HDICACEKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256564 784205082 /nfs/dbraw/zinc/20/50/82/784205082.db2.gz ITOXNUSWPUPEGF-HDICACEKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC001035257867 784209483 /nfs/dbraw/zinc/20/94/83/784209483.db2.gz YNZUJNRCHAGUNN-UHFFFAOYSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135691622 784253074 /nfs/dbraw/zinc/25/30/74/784253074.db2.gz XTSDYABFMYXSFX-MSOLQXFVSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001171067525 788319417 /nfs/dbraw/zinc/31/94/17/788319417.db2.gz IWZUOFFGEGYWAV-NSHDSACASA-N 2 1 346.353 2.321 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946902753 789585857 /nfs/dbraw/zinc/58/58/57/789585857.db2.gz XLAOMUCYNHTZFJ-HDICACEKSA-N 2 1 339.483 2.165 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146591911 791360441 /nfs/dbraw/zinc/36/04/41/791360441.db2.gz IGGYIWHIYFLMLF-CVEARBPZSA-N 2 1 330.476 2.271 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1nccs1 ZINC001171308352 791854224 /nfs/dbraw/zinc/85/42/24/791854224.db2.gz RBZITOVMFSRXAG-HOTGVXAUSA-N 2 1 348.516 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1nccs1 ZINC001171308352 791854227 /nfs/dbraw/zinc/85/42/27/791854227.db2.gz RBZITOVMFSRXAG-HOTGVXAUSA-N 2 1 348.516 2.005 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171330038 792342654 /nfs/dbraw/zinc/34/26/54/792342654.db2.gz RCGCRQXTRKQCEA-QZTJIDSGSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@H]12 ZINC000992144935 792909259 /nfs/dbraw/zinc/90/92/59/792909259.db2.gz IRBXLJDGDXFKPP-IMFGXOCKSA-N 2 1 342.487 2.443 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@H]12 ZINC000992144935 792909263 /nfs/dbraw/zinc/90/92/63/792909263.db2.gz IRBXLJDGDXFKPP-IMFGXOCKSA-N 2 1 342.487 2.443 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001091787626 793255921 /nfs/dbraw/zinc/25/59/21/793255921.db2.gz HYJYKSGZBQMPRF-INMHGKMJSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091787626 793255928 /nfs/dbraw/zinc/25/59/28/793255928.db2.gz HYJYKSGZBQMPRF-INMHGKMJSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091787626 793255936 /nfs/dbraw/zinc/25/59/36/793255936.db2.gz HYJYKSGZBQMPRF-INMHGKMJSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091787626 793255941 /nfs/dbraw/zinc/25/59/41/793255941.db2.gz HYJYKSGZBQMPRF-INMHGKMJSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000998922521 793566249 /nfs/dbraw/zinc/56/62/49/793566249.db2.gz HHTJBPXUEGQDBT-ACBHZAAOSA-N 2 1 343.446 2.002 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000998922521 793566257 /nfs/dbraw/zinc/56/62/57/793566257.db2.gz HHTJBPXUEGQDBT-ACBHZAAOSA-N 2 1 343.446 2.002 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992311774 793630467 /nfs/dbraw/zinc/63/04/67/793630467.db2.gz BRGNOUGMRVGKRY-UYAOXDASSA-N 2 1 325.456 2.108 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992408392 793981884 /nfs/dbraw/zinc/98/18/84/793981884.db2.gz RSVTZVDJIDRPQD-FPOVZHCZSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540448 794433408 /nfs/dbraw/zinc/43/34/08/794433408.db2.gz XEJAWTPCROLKOD-ZJOUEHCJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036754945 794785112 /nfs/dbraw/zinc/78/51/12/794785112.db2.gz OGXCKMUQETZJQP-SJLPKXTDSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036754945 794785117 /nfs/dbraw/zinc/78/51/17/794785117.db2.gz OGXCKMUQETZJQP-SJLPKXTDSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036754945 794785122 /nfs/dbraw/zinc/78/51/22/794785122.db2.gz OGXCKMUQETZJQP-SJLPKXTDSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093225753 794881743 /nfs/dbraw/zinc/88/17/43/794881743.db2.gz RPZNYZNDNBBYPZ-SJLPKXTDSA-N 2 1 327.472 2.069 20 30 EEEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001093363290 795090357 /nfs/dbraw/zinc/09/03/57/795090357.db2.gz YMNDYCLLPRKKTM-ROUUACIJSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093363290 795090361 /nfs/dbraw/zinc/09/03/61/795090361.db2.gz YMNDYCLLPRKKTM-ROUUACIJSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093363290 795090367 /nfs/dbraw/zinc/09/03/67/795090367.db2.gz YMNDYCLLPRKKTM-ROUUACIJSA-N 2 1 331.504 2.360 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001110016479 806392541 /nfs/dbraw/zinc/39/25/41/806392541.db2.gz QHBRRPRTRMPVAY-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001110016479 806392551 /nfs/dbraw/zinc/39/25/51/806392551.db2.gz QHBRRPRTRMPVAY-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001110016479 806392561 /nfs/dbraw/zinc/39/25/61/806392561.db2.gz QHBRRPRTRMPVAY-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001110016479 806392570 /nfs/dbraw/zinc/39/25/70/806392570.db2.gz QHBRRPRTRMPVAY-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001079879116 795313050 /nfs/dbraw/zinc/31/30/50/795313050.db2.gz ABSDISLBOVDJSG-QRQLOZEOSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094415699 796204138 /nfs/dbraw/zinc/20/41/38/796204138.db2.gz ZNMURSAVPMUZBB-NLWGTHIKSA-N 2 1 331.504 2.265 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094421369 796210265 /nfs/dbraw/zinc/21/02/65/796210265.db2.gz VMGQAFGTCFANFD-JRBPQWBISA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094421369 796210271 /nfs/dbraw/zinc/21/02/71/796210271.db2.gz VMGQAFGTCFANFD-JRBPQWBISA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094421369 796210276 /nfs/dbraw/zinc/21/02/76/796210276.db2.gz VMGQAFGTCFANFD-JRBPQWBISA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902501 796440785 /nfs/dbraw/zinc/44/07/85/796440785.db2.gz LLWYTPJILQQRMG-VQTJNVASSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCC(=C)C)C2)CC1 ZINC001036903031 796441393 /nfs/dbraw/zinc/44/13/93/796441393.db2.gz ULMWOKUAHJRCNJ-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC3CCC3)C2)CC1 ZINC001036903149 796441477 /nfs/dbraw/zinc/44/14/77/796441477.db2.gz WPBWUCVCZLFSRB-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC001171735139 796732925 /nfs/dbraw/zinc/73/29/25/796732925.db2.gz SVMPVQMRXLORLK-RDTXWAMCSA-N 2 1 336.439 2.154 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC001171735139 796732927 /nfs/dbraw/zinc/73/29/27/796732927.db2.gz SVMPVQMRXLORLK-RDTXWAMCSA-N 2 1 336.439 2.154 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993579337 796806560 /nfs/dbraw/zinc/80/65/60/796806560.db2.gz SFCQUTUQNUOBOC-WBVHZDCISA-N 2 1 339.443 2.426 20 30 EEEDMP C[C@@H](CCCC#N)[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001172499813 797011002 /nfs/dbraw/zinc/01/10/02/797011002.db2.gz UIECAKMISINOIH-INIZCTEOSA-N 2 1 343.475 2.127 20 30 EEEDMP C[C@@H](CCCC#N)[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001172499813 797011009 /nfs/dbraw/zinc/01/10/09/797011009.db2.gz UIECAKMISINOIH-INIZCTEOSA-N 2 1 343.475 2.127 20 30 EEEDMP C=C(Cl)CN1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993806003 797032755 /nfs/dbraw/zinc/03/27/55/797032755.db2.gz OGBKUCTUCDHGMZ-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)CN1CCC[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC000993806003 797032763 /nfs/dbraw/zinc/03/27/63/797032763.db2.gz OGBKUCTUCDHGMZ-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172970237 797174910 /nfs/dbraw/zinc/17/49/10/797174910.db2.gz DNDJEQZPOPXEGD-HOTGVXAUSA-N 2 1 336.480 2.352 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)[C@@H]2C)CC1 ZINC000994501186 798107334 /nfs/dbraw/zinc/10/73/34/798107334.db2.gz SEPPHIMQSKNYNR-VQIMIIECSA-N 2 1 331.504 2.101 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)Cc1cnc[nH]1 ZINC001175478284 798117663 /nfs/dbraw/zinc/11/76/63/798117663.db2.gz JOGITHGYYUAIBQ-ZDUSSCGKSA-N 2 1 345.472 2.350 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084767784 798439009 /nfs/dbraw/zinc/43/90/09/798439009.db2.gz JCBGIQJVHWQEER-GUDVDZBRSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084767784 798439012 /nfs/dbraw/zinc/43/90/12/798439012.db2.gz JCBGIQJVHWQEER-GUDVDZBRSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084767784 798439013 /nfs/dbraw/zinc/43/90/13/798439013.db2.gz JCBGIQJVHWQEER-GUDVDZBRSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178106227 799269027 /nfs/dbraw/zinc/26/90/27/799269027.db2.gz AGXXWDGOLYEPSF-SFHVURJKSA-N 2 1 339.524 2.330 20 30 EEEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178106227 799269032 /nfs/dbraw/zinc/26/90/32/799269032.db2.gz AGXXWDGOLYEPSF-SFHVURJKSA-N 2 1 339.524 2.330 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001179539254 799982791 /nfs/dbraw/zinc/98/27/91/799982791.db2.gz SKAYHRLCFUHQJL-RDJZCZTQSA-N 2 1 346.475 2.429 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181518510 800831650 /nfs/dbraw/zinc/83/16/50/800831650.db2.gz UVBGNAMLCZEINH-JTDSTZFVSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185308469 802453766 /nfs/dbraw/zinc/45/37/66/802453766.db2.gz WLDWXWGGXMJVKQ-FUHWJXTLSA-N 2 1 330.476 2.069 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086390451 802877920 /nfs/dbraw/zinc/87/79/20/802877920.db2.gz VGHNDXNHRVKOLE-WDSOQIARSA-N 2 1 343.515 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086390451 802877927 /nfs/dbraw/zinc/87/79/27/802877927.db2.gz VGHNDXNHRVKOLE-WDSOQIARSA-N 2 1 343.515 2.149 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086402094 802895283 /nfs/dbraw/zinc/89/52/83/802895283.db2.gz HQPFENOXYFWHCV-GUDVDZBRSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108345011 803341974 /nfs/dbraw/zinc/34/19/74/803341974.db2.gz WMBLCICJPFNKTO-IBGZPJMESA-N 2 1 349.519 2.036 20 30 EEEDMP CC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527611 803825645 /nfs/dbraw/zinc/82/56/45/803825645.db2.gz XZVMRBJWGGRSEA-VAMGGRTRSA-N 2 1 340.471 2.251 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001437026001 1088825149 /nfs/dbraw/zinc/82/51/49/1088825149.db2.gz ZJUITKLVKFDPAZ-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)Cc2ccccc2C#N)C1 ZINC001494172452 1103640024 /nfs/dbraw/zinc/64/00/24/1103640024.db2.gz PSRVQELAGGZGQV-QGZVFWFLSA-N 2 1 342.487 2.180 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2C#N)C1 ZINC001494172452 1103640030 /nfs/dbraw/zinc/64/00/30/1103640030.db2.gz PSRVQELAGGZGQV-QGZVFWFLSA-N 2 1 342.487 2.180 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2C#N)C1 ZINC001494172452 1103640033 /nfs/dbraw/zinc/64/00/33/1103640033.db2.gz PSRVQELAGGZGQV-QGZVFWFLSA-N 2 1 342.487 2.180 20 30 EEEDMP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001494855542 1104460193 /nfs/dbraw/zinc/46/01/93/1104460193.db2.gz FWAZZYKXFVJGGI-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001494855542 1104460196 /nfs/dbraw/zinc/46/01/96/1104460196.db2.gz FWAZZYKXFVJGGI-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001494855542 1104460200 /nfs/dbraw/zinc/46/02/00/1104460200.db2.gz FWAZZYKXFVJGGI-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001494855542 1104460206 /nfs/dbraw/zinc/46/02/06/1104460206.db2.gz FWAZZYKXFVJGGI-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000180997458 234056926 /nfs/dbraw/zinc/05/69/26/234056926.db2.gz DYLCSFUZLVIEJA-MRXNPFEDSA-N 2 1 327.453 2.476 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000491632755 246090587 /nfs/dbraw/zinc/09/05/87/246090587.db2.gz QKCYBCSPPNVATB-OAHLLOKOSA-N 2 1 325.250 2.027 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000491632755 246090593 /nfs/dbraw/zinc/09/05/93/246090593.db2.gz QKCYBCSPPNVATB-OAHLLOKOSA-N 2 1 325.250 2.027 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000491808545 533101301 /nfs/dbraw/zinc/10/13/01/533101301.db2.gz WFDGCRNGZWWLKD-RTBURBONSA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000491808545 533101307 /nfs/dbraw/zinc/10/13/07/533101307.db2.gz WFDGCRNGZWWLKD-RTBURBONSA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000491808545 533101310 /nfs/dbraw/zinc/10/13/10/533101310.db2.gz WFDGCRNGZWWLKD-RTBURBONSA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000491717182 533105497 /nfs/dbraw/zinc/10/54/97/533105497.db2.gz VNFJIJOOTVITCQ-LJQANCHMSA-N 2 1 338.455 2.094 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292901156 266794673 /nfs/dbraw/zinc/79/46/73/266794673.db2.gz GOVRXWRLSDGPPW-IBGZPJMESA-N 2 1 329.444 2.363 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292901156 266794675 /nfs/dbraw/zinc/79/46/75/266794675.db2.gz GOVRXWRLSDGPPW-IBGZPJMESA-N 2 1 329.444 2.363 20 30 EEEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292901156 266794679 /nfs/dbraw/zinc/79/46/79/266794679.db2.gz GOVRXWRLSDGPPW-IBGZPJMESA-N 2 1 329.444 2.363 20 30 EEEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292901156 266794680 /nfs/dbraw/zinc/79/46/80/266794680.db2.gz GOVRXWRLSDGPPW-IBGZPJMESA-N 2 1 329.444 2.363 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087705170 782100645 /nfs/dbraw/zinc/10/06/45/782100645.db2.gz ZXPKGWFAOVQZAW-RYQLBKOJSA-N 2 1 330.476 2.299 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087705170 782100648 /nfs/dbraw/zinc/10/06/48/782100648.db2.gz ZXPKGWFAOVQZAW-RYQLBKOJSA-N 2 1 330.476 2.299 20 30 EEEDMP CN(C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1(C#N)CCCCC1 ZINC000158997830 463262964 /nfs/dbraw/zinc/26/29/64/463262964.db2.gz GMOQQGIOGLQZTD-SJORKVTESA-N 2 1 332.492 2.087 20 30 EEEDMP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083198850 463539699 /nfs/dbraw/zinc/53/96/99/463539699.db2.gz AKBPRJWPNFHKDZ-INIZCTEOSA-N 2 1 346.500 2.389 20 30 EEEDMP CC(C)CNC(=[NH2+])NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000264066247 464278577 /nfs/dbraw/zinc/27/85/77/464278577.db2.gz FGIUKESOXMNSBO-IYBDPMFKSA-N 2 1 332.492 2.356 20 30 EEEDMP C#CC[N@@H+](CC)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000266958180 464885688 /nfs/dbraw/zinc/88/56/88/464885688.db2.gz VZUCLZFRAJTQSC-QGZVFWFLSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CC[N@H+](CC)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000266958180 464885695 /nfs/dbraw/zinc/88/56/95/464885695.db2.gz VZUCLZFRAJTQSC-QGZVFWFLSA-N 2 1 327.472 2.111 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)C(C)C ZINC000342766718 465348210 /nfs/dbraw/zinc/34/82/10/465348210.db2.gz WRODVNMYUZLGSC-GJZGRUSLSA-N 2 1 329.435 2.046 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000330017228 465507489 /nfs/dbraw/zinc/50/74/89/465507489.db2.gz QSOHXOIJGWWWAS-UHFFFAOYSA-N 2 1 344.463 2.259 20 30 EEEDMP Cc1nccn1CCC[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000299559430 465801164 /nfs/dbraw/zinc/80/11/64/465801164.db2.gz GOMZPIILIUOQIQ-HNNXBMFYSA-N 2 1 343.456 2.252 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000299559430 465801181 /nfs/dbraw/zinc/80/11/81/465801181.db2.gz GOMZPIILIUOQIQ-HNNXBMFYSA-N 2 1 343.456 2.252 20 30 EEEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC(C)(C)C#N)CC2)CC1 ZINC000345713977 465894194 /nfs/dbraw/zinc/89/41/94/465894194.db2.gz PYYPMEGRUWLENI-UHFFFAOYSA-N 2 1 334.508 2.192 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000371963494 466092368 /nfs/dbraw/zinc/09/23/68/466092368.db2.gz UAPAYDAKQNSDPN-SFHVURJKSA-N 2 1 330.451 2.298 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000371963494 466092375 /nfs/dbraw/zinc/09/23/75/466092375.db2.gz UAPAYDAKQNSDPN-SFHVURJKSA-N 2 1 330.451 2.298 20 30 EEEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CCC[C@H](C#N)C2)cc[nH+]1 ZINC000331864360 466281229 /nfs/dbraw/zinc/28/12/29/466281229.db2.gz JDKXBEXVCGTMCS-VGWMRTNUSA-N 2 1 346.454 2.131 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000365232952 466752177 /nfs/dbraw/zinc/75/21/77/466752177.db2.gz GFSRRAPTDWECMP-SFHVURJKSA-N 2 1 330.451 2.298 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000365232952 466752180 /nfs/dbraw/zinc/75/21/80/466752180.db2.gz GFSRRAPTDWECMP-SFHVURJKSA-N 2 1 330.451 2.298 20 30 EEEDMP C[C@@H](CCC#N)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000411381694 466818126 /nfs/dbraw/zinc/81/81/26/466818126.db2.gz DXPVSKBXFVVLGA-KRWDZBQOSA-N 2 1 330.476 2.441 20 30 EEEDMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000592018502 468598487 /nfs/dbraw/zinc/59/84/87/468598487.db2.gz UMMVXDQLOMNVHQ-GOSISDBHSA-N 2 1 328.460 2.051 20 30 EEEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600718256 468632456 /nfs/dbraw/zinc/63/24/56/468632456.db2.gz WOHDEMLWXMSEHG-HKUYNNGSSA-N 2 1 345.487 2.400 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682177 470610520 /nfs/dbraw/zinc/61/05/20/470610520.db2.gz LWTVJGVEIHADDH-KRWDZBQOSA-N 2 1 330.476 2.407 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000730276543 577014619 /nfs/dbraw/zinc/01/46/19/577014619.db2.gz MZGOJQASJJYACZ-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000730276543 577014621 /nfs/dbraw/zinc/01/46/21/577014621.db2.gz MZGOJQASJJYACZ-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000732229487 577158787 /nfs/dbraw/zinc/15/87/87/577158787.db2.gz AVWQFVHGEAKTLB-WMZOPIPTSA-N 2 1 331.460 2.304 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001020590127 675221759 /nfs/dbraw/zinc/22/17/59/675221759.db2.gz MWAGFVVHBQOGQX-XJKCOSOUSA-N 2 1 331.863 2.188 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039242868 676256197 /nfs/dbraw/zinc/25/61/97/676256197.db2.gz CUQVAQQTLVJGQP-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021619004 676272607 /nfs/dbraw/zinc/27/26/07/676272607.db2.gz IUSOEHLBKNIWCR-LPHOPBHVSA-N 2 1 336.439 2.202 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707791 676366738 /nfs/dbraw/zinc/36/67/38/676366738.db2.gz YGKZWIJSRMJFNW-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706548 676366844 /nfs/dbraw/zinc/36/68/44/676366844.db2.gz LSUMNIGWGIDXEV-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000104155831 678005532 /nfs/dbraw/zinc/00/55/32/678005532.db2.gz SLBBWNOELSJSSA-SFHVURJKSA-N 2 1 348.491 2.163 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000972401504 678686297 /nfs/dbraw/zinc/68/62/97/678686297.db2.gz CBXWLRJUKVYCKT-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000972401504 678686298 /nfs/dbraw/zinc/68/62/98/678686298.db2.gz CBXWLRJUKVYCKT-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000972401504 678686300 /nfs/dbraw/zinc/68/63/00/678686300.db2.gz CBXWLRJUKVYCKT-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)C1 ZINC000889021911 678817866 /nfs/dbraw/zinc/81/78/66/678817866.db2.gz RPSSNEVNNRISLK-IKGGRYGDSA-N 2 1 346.475 2.106 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)C1 ZINC000889021911 678817872 /nfs/dbraw/zinc/81/78/72/678817872.db2.gz RPSSNEVNNRISLK-IKGGRYGDSA-N 2 1 346.475 2.106 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369140 679276202 /nfs/dbraw/zinc/27/62/02/679276202.db2.gz AMCQMWWSAQSJTH-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369140 679276203 /nfs/dbraw/zinc/27/62/03/679276203.db2.gz AMCQMWWSAQSJTH-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369140 679276205 /nfs/dbraw/zinc/27/62/05/679276205.db2.gz AMCQMWWSAQSJTH-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023423284 679301780 /nfs/dbraw/zinc/30/17/80/679301780.db2.gz WHYRLAQWKZZVFF-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023423284 679301781 /nfs/dbraw/zinc/30/17/81/679301781.db2.gz WHYRLAQWKZZVFF-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023423284 679301782 /nfs/dbraw/zinc/30/17/82/679301782.db2.gz WHYRLAQWKZZVFF-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023423284 679301783 /nfs/dbraw/zinc/30/17/83/679301783.db2.gz WHYRLAQWKZZVFF-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001024618235 681285834 /nfs/dbraw/zinc/28/58/34/681285834.db2.gz RTJISMLWQIPDSQ-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982834430 681356959 /nfs/dbraw/zinc/35/69/59/681356959.db2.gz ZLEJJTMSTLUWCH-SESVDKBCSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025240066 682296046 /nfs/dbraw/zinc/29/60/46/682296046.db2.gz KWQUUIVGMMQSMP-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025240066 682296048 /nfs/dbraw/zinc/29/60/48/682296048.db2.gz KWQUUIVGMMQSMP-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301265 682414282 /nfs/dbraw/zinc/41/42/82/682414282.db2.gz IMXFPTDSVKLDHO-RBUKOAKNSA-N 2 1 331.504 2.341 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001025577139 683034265 /nfs/dbraw/zinc/03/42/65/683034265.db2.gz QHZPZDLFPQZQLU-JKSUJKDBSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001025577139 683034269 /nfs/dbraw/zinc/03/42/69/683034269.db2.gz QHZPZDLFPQZQLU-JKSUJKDBSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001026560216 684745082 /nfs/dbraw/zinc/74/50/82/684745082.db2.gz GRQAXDUHRBORIL-UHFFFAOYSA-N 2 1 327.900 2.488 20 30 EEEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608719 685123127 /nfs/dbraw/zinc/12/31/27/685123127.db2.gz XXTMHKAIZWRRCH-SJLPKXTDSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608719 685123130 /nfs/dbraw/zinc/12/31/30/685123130.db2.gz XXTMHKAIZWRRCH-SJLPKXTDSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608719 685123133 /nfs/dbraw/zinc/12/31/33/685123133.db2.gz XXTMHKAIZWRRCH-SJLPKXTDSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CCN1C[C@@H](NC(=O)c2sccc2CN(C)C)C(C)(C)C1 ZINC000974647198 685149919 /nfs/dbraw/zinc/14/99/19/685149919.db2.gz SIYWCMNKDJVVSO-OAHLLOKOSA-N 2 1 333.501 2.273 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974962261 685815424 /nfs/dbraw/zinc/81/54/24/685815424.db2.gz JTEOWVWHXDKLHJ-DOTOQJQBSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974962261 685815430 /nfs/dbraw/zinc/81/54/30/685815430.db2.gz JTEOWVWHXDKLHJ-DOTOQJQBSA-N 2 1 330.476 2.157 20 30 EEEDMP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262490679 686377180 /nfs/dbraw/zinc/37/71/80/686377180.db2.gz XDMPJBMIGVJMJS-CYBMUJFWSA-N 2 1 337.349 2.321 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC000979114319 694191475 /nfs/dbraw/zinc/19/14/75/694191475.db2.gz KIMPHBYNRPUHFP-NNZMDNLPSA-N 2 1 343.471 2.052 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1CNC(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)=[NH+]C ZINC000262749614 688346055 /nfs/dbraw/zinc/34/60/55/688346055.db2.gz BLLFJPZQOZUPFN-TWMKSMIVSA-N 2 1 336.524 2.229 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001027578537 693202547 /nfs/dbraw/zinc/20/25/47/693202547.db2.gz NCDTVWBNPCNVCE-YOEHRIQHSA-N 2 1 348.516 2.383 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978421598 693588670 /nfs/dbraw/zinc/58/86/70/693588670.db2.gz XPSDJIPWDNFMGI-AKHDSKFASA-N 2 1 333.520 2.367 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978421598 693588674 /nfs/dbraw/zinc/58/86/74/693588674.db2.gz XPSDJIPWDNFMGI-AKHDSKFASA-N 2 1 333.520 2.367 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978421598 693588678 /nfs/dbraw/zinc/58/86/78/693588678.db2.gz XPSDJIPWDNFMGI-AKHDSKFASA-N 2 1 333.520 2.367 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C[C@@H](C)O2 ZINC001098635267 1187041750 /nfs/dbraw/zinc/04/17/50/1187041750.db2.gz GAOYZLGIXWJOIU-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001105539918 1188161114 /nfs/dbraw/zinc/16/11/14/1188161114.db2.gz SSDYUHUPDSEIHK-OTWHNJEPSA-N 2 1 345.531 2.491 20 30 EEEDMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)CC[NH+]1CCCCC1 ZINC001483422684 1190469775 /nfs/dbraw/zinc/46/97/75/1190469775.db2.gz XZRMJKDHRMVVHR-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)CC[NH+]1CCCCC1 ZINC001483422684 1190469777 /nfs/dbraw/zinc/46/97/77/1190469777.db2.gz XZRMJKDHRMVVHR-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001483951955 1191129463 /nfs/dbraw/zinc/12/94/63/1191129463.db2.gz NQFNALOEHSZABG-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001485356237 1191760833 /nfs/dbraw/zinc/76/08/33/1191760833.db2.gz AZOFFLIFQPYYJM-AWEZNQCLSA-N 2 1 348.516 2.288 20 30 EEEDMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001485356237 1191760835 /nfs/dbraw/zinc/76/08/35/1191760835.db2.gz AZOFFLIFQPYYJM-AWEZNQCLSA-N 2 1 348.516 2.288 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001034005376 1195648295 /nfs/dbraw/zinc/64/82/95/1195648295.db2.gz WEGSKHFCXMFDLY-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034005376 1195648299 /nfs/dbraw/zinc/64/82/99/1195648299.db2.gz WEGSKHFCXMFDLY-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034005376 1195648301 /nfs/dbraw/zinc/64/83/01/1195648301.db2.gz WEGSKHFCXMFDLY-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144481 1197014738 /nfs/dbraw/zinc/01/47/38/1197014738.db2.gz QGNTZQFXHZXTEL-QUCCMNQESA-N 2 1 346.519 2.337 20 30 EEEDMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144481 1197014741 /nfs/dbraw/zinc/01/47/41/1197014741.db2.gz QGNTZQFXHZXTEL-QUCCMNQESA-N 2 1 346.519 2.337 20 30 EEEDMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144481 1197014746 /nfs/dbraw/zinc/01/47/46/1197014746.db2.gz QGNTZQFXHZXTEL-QUCCMNQESA-N 2 1 346.519 2.337 20 30 EEEDMP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607087 1199699259 /nfs/dbraw/zinc/69/92/59/1199699259.db2.gz DBRNGRRTVYDPGB-QZTJIDSGSA-N 2 1 341.499 2.395 20 30 EEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000876723910 1199741225 /nfs/dbraw/zinc/74/12/25/1199741225.db2.gz ZTJMDLQOWGWOTH-IRXDYDNUSA-N 2 1 335.879 2.409 20 30 EEEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086696453 1200174012 /nfs/dbraw/zinc/17/40/12/1200174012.db2.gz KYRIQWALSLNBEA-RCCFBDPRSA-N 2 1 331.504 2.149 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2c[nH]cn2)CC3)cc1C#N ZINC001276204346 1205832070 /nfs/dbraw/zinc/83/20/70/1205832070.db2.gz XTKHLXKINHSAEK-UHFFFAOYSA-N 2 1 338.459 2.108 20 30 EEEDMP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cnc[nH]2)CC3)cc1C#N ZINC001276204346 1205832072 /nfs/dbraw/zinc/83/20/72/1205832072.db2.gz XTKHLXKINHSAEK-UHFFFAOYSA-N 2 1 338.459 2.108 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnc[nH]2)CC3)cc1C#N ZINC001276204346 1205832074 /nfs/dbraw/zinc/83/20/74/1205832074.db2.gz XTKHLXKINHSAEK-UHFFFAOYSA-N 2 1 338.459 2.108 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001110959420 1206445165 /nfs/dbraw/zinc/44/51/65/1206445165.db2.gz LEQWTWGCMXDGIU-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947858079 1208748986 /nfs/dbraw/zinc/74/89/86/1208748986.db2.gz WSNCRRYZCXGZNB-DOTOQJQBSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947858079 1208748988 /nfs/dbraw/zinc/74/89/88/1208748988.db2.gz WSNCRRYZCXGZNB-DOTOQJQBSA-N 2 1 339.443 2.426 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642669 1209268835 /nfs/dbraw/zinc/26/88/35/1209268835.db2.gz NASCAGGMPHEJND-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000948772073 1209364811 /nfs/dbraw/zinc/36/48/11/1209364811.db2.gz RSTIZGNIARJXOD-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000948772073 1209364813 /nfs/dbraw/zinc/36/48/13/1209364813.db2.gz RSTIZGNIARJXOD-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=CCN1CCOC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000949487286 1209710123 /nfs/dbraw/zinc/71/01/23/1209710123.db2.gz PEQNHMIKZFOKFN-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000949487286 1209710126 /nfs/dbraw/zinc/71/01/26/1209710126.db2.gz PEQNHMIKZFOKFN-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000949487286 1209710128 /nfs/dbraw/zinc/71/01/28/1209710128.db2.gz PEQNHMIKZFOKFN-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC000949487286 1209710129 /nfs/dbraw/zinc/71/01/29/1209710129.db2.gz PEQNHMIKZFOKFN-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC000949487286 1209710130 /nfs/dbraw/zinc/71/01/30/1209710130.db2.gz PEQNHMIKZFOKFN-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000949531649 1209730939 /nfs/dbraw/zinc/73/09/39/1209730939.db2.gz NVNGDXUXWBHGEK-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000949531649 1209730940 /nfs/dbraw/zinc/73/09/40/1209730940.db2.gz NVNGDXUXWBHGEK-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000949531649 1209730941 /nfs/dbraw/zinc/73/09/41/1209730941.db2.gz NVNGDXUXWBHGEK-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000190537829 1209907087 /nfs/dbraw/zinc/90/70/87/1209907087.db2.gz RTOBWJWXLNUXOU-IEBWSBKVSA-N 2 1 344.503 2.324 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961025670 1217012401 /nfs/dbraw/zinc/01/24/01/1217012401.db2.gz BIRZJJCAIBCUBW-LJQANCHMSA-N 2 1 340.471 2.077 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961192880 1217080309 /nfs/dbraw/zinc/08/03/09/1217080309.db2.gz DBEUAZVZGIVNIM-RTBURBONSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961374152 1217163057 /nfs/dbraw/zinc/16/30/57/1217163057.db2.gz JWJYSCBNNKSHDD-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961377768 1217165321 /nfs/dbraw/zinc/16/53/21/1217165321.db2.gz ZOQXXDJZGJKJBZ-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961377768 1217165324 /nfs/dbraw/zinc/16/53/24/1217165324.db2.gz ZOQXXDJZGJKJBZ-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961377768 1217165326 /nfs/dbraw/zinc/16/53/26/1217165326.db2.gz ZOQXXDJZGJKJBZ-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327543 1217523176 /nfs/dbraw/zinc/52/31/76/1217523176.db2.gz DFCRTPXAZWONBE-IEBWSBKVSA-N 2 1 336.439 2.284 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC ZINC001037859235 1219615734 /nfs/dbraw/zinc/61/57/34/1219615734.db2.gz IMRICSDFLYYHKR-ZBFHGGJFSA-N 2 1 327.900 2.440 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000968645038 1221460448 /nfs/dbraw/zinc/46/04/48/1221460448.db2.gz KTWYYWGPEBTDBB-MOPGFXCFSA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968887679 1221646837 /nfs/dbraw/zinc/64/68/37/1221646837.db2.gz JSQDRQPNIOILJI-RBUKOAKNSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000968887679 1221646839 /nfs/dbraw/zinc/64/68/39/1221646839.db2.gz JSQDRQPNIOILJI-RBUKOAKNSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000968887679 1221646841 /nfs/dbraw/zinc/64/68/41/1221646841.db2.gz JSQDRQPNIOILJI-RBUKOAKNSA-N 2 1 333.520 2.348 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000968966950 1221705120 /nfs/dbraw/zinc/70/51/20/1221705120.db2.gz FHEAWGURJMVKPH-HUUCEWRRSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000969090915 1221800732 /nfs/dbraw/zinc/80/07/32/1221800732.db2.gz PCQLQKPRBNMXPC-GOSISDBHSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000969090915 1221800734 /nfs/dbraw/zinc/80/07/34/1221800734.db2.gz PCQLQKPRBNMXPC-GOSISDBHSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016661612 1226743874 /nfs/dbraw/zinc/74/38/74/1226743874.db2.gz GXUWWICHKSVVEE-RTBURBONSA-N 2 1 343.515 2.387 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016702184 1226797812 /nfs/dbraw/zinc/79/78/12/1226797812.db2.gz LUOIMMKNCQZSGW-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001017688732 1227640968 /nfs/dbraw/zinc/64/09/68/1227640968.db2.gz JNSIVYDLBRNILY-HDICACEKSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001017688732 1227640972 /nfs/dbraw/zinc/64/09/72/1227640972.db2.gz JNSIVYDLBRNILY-HDICACEKSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017688732 1227640975 /nfs/dbraw/zinc/64/09/75/1227640975.db2.gz JNSIVYDLBRNILY-HDICACEKSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017688732 1227640978 /nfs/dbraw/zinc/64/09/78/1227640978.db2.gz JNSIVYDLBRNILY-HDICACEKSA-N 2 1 331.504 2.338 20 30 EEEDMP N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)c1 ZINC001018966721 1228584490 /nfs/dbraw/zinc/58/44/90/1228584490.db2.gz QTXFHOMEQAHBQY-ROUUACIJSA-N 2 1 349.438 2.023 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039155109 1230375511 /nfs/dbraw/zinc/37/55/11/1230375511.db2.gz MHLGEEDOPROYIA-IBGZPJMESA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039174248 1230400905 /nfs/dbraw/zinc/40/09/05/1230400905.db2.gz PTNYMBSUMVZFHC-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174248 1230400906 /nfs/dbraw/zinc/40/09/06/1230400906.db2.gz PTNYMBSUMVZFHC-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174248 1230400909 /nfs/dbraw/zinc/40/09/09/1230400909.db2.gz PTNYMBSUMVZFHC-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233469 1230466595 /nfs/dbraw/zinc/46/65/95/1230466595.db2.gz BPLZBQQKULHYRJ-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001039386938 1230571490 /nfs/dbraw/zinc/57/14/90/1230571490.db2.gz LFFMCLVGRQCYNQ-IXDOHACOSA-N 2 1 328.460 2.402 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001039386938 1230571492 /nfs/dbraw/zinc/57/14/92/1230571492.db2.gz LFFMCLVGRQCYNQ-IXDOHACOSA-N 2 1 328.460 2.402 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040208093 1231104232 /nfs/dbraw/zinc/10/42/32/1231104232.db2.gz IYTUGBGWGAUTIL-QUCCMNQESA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314594 1231165440 /nfs/dbraw/zinc/16/54/40/1231165440.db2.gz ULACPNREYOBVIC-CTNGQTDRSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357142 1231518046 /nfs/dbraw/zinc/51/80/46/1231518046.db2.gz FCMKUJHPXHMETG-CTNGQTDRSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234925 1231973896 /nfs/dbraw/zinc/97/38/96/1231973896.db2.gz PPIXBUUTTXSRAB-CVEARBPZSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234925 1231973897 /nfs/dbraw/zinc/97/38/97/1231973897.db2.gz PPIXBUUTTXSRAB-CVEARBPZSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234925 1231973900 /nfs/dbraw/zinc/97/39/00/1231973900.db2.gz PPIXBUUTTXSRAB-CVEARBPZSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234925 1231973901 /nfs/dbraw/zinc/97/39/01/1231973901.db2.gz PPIXBUUTTXSRAB-CVEARBPZSA-N 2 1 339.911 2.394 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001045200855 1233576886 /nfs/dbraw/zinc/57/68/86/1233576886.db2.gz SIXJWDDMONFSOB-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045967083 1234247348 /nfs/dbraw/zinc/24/73/48/1234247348.db2.gz MUZGVRCJYNNJAZ-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045967083 1234247349 /nfs/dbraw/zinc/24/73/49/1234247349.db2.gz MUZGVRCJYNNJAZ-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045967083 1234247351 /nfs/dbraw/zinc/24/73/51/1234247351.db2.gz MUZGVRCJYNNJAZ-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525564 1237862907 /nfs/dbraw/zinc/86/29/07/1237862907.db2.gz XWFFQNXOIVJVIM-SWBPCFCJSA-N 2 1 343.515 2.243 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)C2 ZINC001048525564 1237862910 /nfs/dbraw/zinc/86/29/10/1237862910.db2.gz XWFFQNXOIVJVIM-SWBPCFCJSA-N 2 1 343.515 2.243 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)C2 ZINC001048525564 1237862914 /nfs/dbraw/zinc/86/29/14/1237862914.db2.gz XWFFQNXOIVJVIM-SWBPCFCJSA-N 2 1 343.515 2.243 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525561 1237863470 /nfs/dbraw/zinc/86/34/70/1237863470.db2.gz XWFFQNXOIVJVIM-FSGKZVOOSA-N 2 1 343.515 2.243 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)C2 ZINC001048525561 1237863486 /nfs/dbraw/zinc/86/34/86/1237863486.db2.gz XWFFQNXOIVJVIM-FSGKZVOOSA-N 2 1 343.515 2.243 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)C2 ZINC001048525561 1237863493 /nfs/dbraw/zinc/86/34/93/1237863493.db2.gz XWFFQNXOIVJVIM-FSGKZVOOSA-N 2 1 343.515 2.243 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001048529191 1237880150 /nfs/dbraw/zinc/88/01/50/1237880150.db2.gz IMNLLSWYNANWHL-XCDZQEORSA-N 2 1 331.504 2.099 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529191 1237880166 /nfs/dbraw/zinc/88/01/66/1237880166.db2.gz IMNLLSWYNANWHL-XCDZQEORSA-N 2 1 331.504 2.099 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529191 1237880182 /nfs/dbraw/zinc/88/01/82/1237880182.db2.gz IMNLLSWYNANWHL-XCDZQEORSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1occc1C[NH+](C)C)C2 ZINC001048556755 1237955758 /nfs/dbraw/zinc/95/57/58/1237955758.db2.gz SMRGWKANCDXEJF-VBUUOAMHSA-N 2 1 343.471 2.337 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC001048590616 1238042923 /nfs/dbraw/zinc/04/29/23/1238042923.db2.gz QZPZSHJCJBRABB-GGPHIMKMSA-N 2 1 331.504 2.099 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818800 1238733820 /nfs/dbraw/zinc/73/38/20/1238733820.db2.gz NZNVPSMJFWFXBS-INDMIFKZSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818800 1238733827 /nfs/dbraw/zinc/73/38/27/1238733827.db2.gz NZNVPSMJFWFXBS-INDMIFKZSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818800 1238733835 /nfs/dbraw/zinc/73/38/35/1238733835.db2.gz NZNVPSMJFWFXBS-INDMIFKZSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4nccn43)C[C@H]2C1 ZINC001048863944 1239071989 /nfs/dbraw/zinc/07/19/89/1239071989.db2.gz QIIOVCCJGKOONF-BBWFWOEESA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048863944 1239071995 /nfs/dbraw/zinc/07/19/95/1239071995.db2.gz QIIOVCCJGKOONF-BBWFWOEESA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048863944 1239072006 /nfs/dbraw/zinc/07/20/06/1239072006.db2.gz QIIOVCCJGKOONF-BBWFWOEESA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4cnc(C)n4C3)C[C@H]2C1 ZINC001049012421 1239742950 /nfs/dbraw/zinc/74/29/50/1239742950.db2.gz BVRHYAQVEFARQB-OKZBNKHCSA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C1 ZINC001049012421 1239742958 /nfs/dbraw/zinc/74/29/58/1239742958.db2.gz BVRHYAQVEFARQB-OKZBNKHCSA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C1 ZINC001049012421 1239742963 /nfs/dbraw/zinc/74/29/63/1239742963.db2.gz BVRHYAQVEFARQB-OKZBNKHCSA-N 2 1 342.487 2.110 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049485181 1241097963 /nfs/dbraw/zinc/09/79/63/1241097963.db2.gz MCCNTMZNSIXQTB-OKZBNKHCSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049485181 1241097973 /nfs/dbraw/zinc/09/79/73/1241097973.db2.gz MCCNTMZNSIXQTB-OKZBNKHCSA-N 2 1 342.487 2.485 20 30 EEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001000875749 1241108258 /nfs/dbraw/zinc/10/82/58/1241108258.db2.gz OWRVCLBNZNXHLQ-UHFFFAOYSA-N 2 1 332.448 2.064 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001000875749 1241108268 /nfs/dbraw/zinc/10/82/68/1241108268.db2.gz OWRVCLBNZNXHLQ-UHFFFAOYSA-N 2 1 332.448 2.064 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001049671733 1241835396 /nfs/dbraw/zinc/83/53/96/1241835396.db2.gz NFLQWQCHHSUGEX-NZSAHSFTSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001049671733 1241835403 /nfs/dbraw/zinc/83/54/03/1241835403.db2.gz NFLQWQCHHSUGEX-NZSAHSFTSA-N 2 1 342.487 2.395 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677644 1241851012 /nfs/dbraw/zinc/85/10/12/1241851012.db2.gz VNVBBIJEDITEGK-IAGOWNOFSA-N 2 1 329.444 2.043 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049915195 1242689175 /nfs/dbraw/zinc/68/91/75/1242689175.db2.gz UFHFLDXZGWZUBP-VAMGGRTRSA-N 2 1 339.483 2.378 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049915195 1242689183 /nfs/dbraw/zinc/68/91/83/1242689183.db2.gz UFHFLDXZGWZUBP-VAMGGRTRSA-N 2 1 339.483 2.378 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049928056 1242749993 /nfs/dbraw/zinc/74/99/93/1242749993.db2.gz ZZQLDHGRRPKEFP-ZWKOTPCHSA-N 2 1 343.471 2.434 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001050103379 1242875015 /nfs/dbraw/zinc/87/50/15/1242875015.db2.gz GSXSVLAAXTVWPE-IPMKNSEASA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001050165125 1243021928 /nfs/dbraw/zinc/02/19/28/1243021928.db2.gz VGYGYVDFJZNZEE-RBUKOAKNSA-N 2 1 327.472 2.471 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(CC)CC)CC2 ZINC001050549853 1243829470 /nfs/dbraw/zinc/82/94/70/1243829470.db2.gz FBQBNZRUYDYNTC-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(CC)CC)CC2 ZINC001050549853 1243829478 /nfs/dbraw/zinc/82/94/78/1243829478.db2.gz FBQBNZRUYDYNTC-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)C)CC1 ZINC001111454808 1244592159 /nfs/dbraw/zinc/59/21/59/1244592159.db2.gz ADKRNQOGSVNAMC-AQNXPRMDSA-N 2 1 345.531 2.489 20 30 EEEDMP C=CCC[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)cccc2C1 ZINC001051299853 1245500724 /nfs/dbraw/zinc/50/07/24/1245500724.db2.gz PXTHJSSMKYGOFA-OXQOHEQNSA-N 2 1 341.499 2.435 20 30 EEEDMP C=CCC[N@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cccc2C1 ZINC001051299853 1245500728 /nfs/dbraw/zinc/50/07/28/1245500728.db2.gz PXTHJSSMKYGOFA-OXQOHEQNSA-N 2 1 341.499 2.435 20 30 EEEDMP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cccc2C1 ZINC001051299853 1245500736 /nfs/dbraw/zinc/50/07/36/1245500736.db2.gz PXTHJSSMKYGOFA-OXQOHEQNSA-N 2 1 341.499 2.435 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101244515 1245562893 /nfs/dbraw/zinc/56/28/93/1245562893.db2.gz UKXVYJQSTWNPSK-RMJJICAUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101244515 1245562900 /nfs/dbraw/zinc/56/29/00/1245562900.db2.gz UKXVYJQSTWNPSK-RMJJICAUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101244515 1245562904 /nfs/dbraw/zinc/56/29/04/1245562904.db2.gz UKXVYJQSTWNPSK-RMJJICAUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257822 1245581851 /nfs/dbraw/zinc/58/18/51/1245581851.db2.gz OBCLQGLJOWIBGC-LMMKCTJWSA-N 2 1 339.499 2.413 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053038705 1245740543 /nfs/dbraw/zinc/74/05/43/1245740543.db2.gz ANYNMPPONIXXGB-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053043776 1245755538 /nfs/dbraw/zinc/75/55/38/1245755538.db2.gz ZGSBOUCCVHXMSD-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053043776 1245755542 /nfs/dbraw/zinc/75/55/42/1245755542.db2.gz ZGSBOUCCVHXMSD-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053043776 1245755547 /nfs/dbraw/zinc/75/55/47/1245755547.db2.gz ZGSBOUCCVHXMSD-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053104161 1245916422 /nfs/dbraw/zinc/91/64/22/1245916422.db2.gz CQGQPWXRABKTNG-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001054140060 1247499853 /nfs/dbraw/zinc/49/98/53/1247499853.db2.gz YUNPDYODLJTGAB-IBGZPJMESA-N 2 1 345.512 2.371 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054223685 1247765107 /nfs/dbraw/zinc/76/51/07/1247765107.db2.gz ZJTAUUCDTWEVPK-HXUWFJFHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662838 1247811551 /nfs/dbraw/zinc/81/15/51/1247811551.db2.gz KQCJWUVHBUDUNL-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662838 1247811560 /nfs/dbraw/zinc/81/15/60/1247811560.db2.gz KQCJWUVHBUDUNL-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054245530 1247862026 /nfs/dbraw/zinc/86/20/26/1247862026.db2.gz VDWRXNJZNQVTMR-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245530 1247862039 /nfs/dbraw/zinc/86/20/39/1247862039.db2.gz VDWRXNJZNQVTMR-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245530 1247862052 /nfs/dbraw/zinc/86/20/52/1247862052.db2.gz VDWRXNJZNQVTMR-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850397573 1277213020 /nfs/dbraw/zinc/21/30/20/1277213020.db2.gz YAINFSDTZFNSSB-MAUKXSAKSA-N 2 1 329.444 2.320 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190176129 1280721286 /nfs/dbraw/zinc/72/12/86/1280721286.db2.gz CBEBXOPWMOERNK-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190176129 1280721293 /nfs/dbraw/zinc/72/12/93/1280721293.db2.gz CBEBXOPWMOERNK-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424488 1282501770 /nfs/dbraw/zinc/50/17/70/1282501770.db2.gz MPHWHDKCUWGFRV-OALUTQOASA-N 2 1 327.472 2.235 20 30 EEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424488 1282501779 /nfs/dbraw/zinc/50/17/79/1282501779.db2.gz MPHWHDKCUWGFRV-OALUTQOASA-N 2 1 327.472 2.235 20 30 EEEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424488 1282501787 /nfs/dbraw/zinc/50/17/87/1282501787.db2.gz MPHWHDKCUWGFRV-OALUTQOASA-N 2 1 327.472 2.235 20 30 EEEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001071106847 1286786139 /nfs/dbraw/zinc/78/61/39/1286786139.db2.gz ZNMIPDOQNBKMMG-QYZOEREBSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000854664431 1292912418 /nfs/dbraw/zinc/91/24/18/1292912418.db2.gz UMGDDLPOTJUMRE-HXUWFJFHSA-N 2 1 341.499 2.012 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000854664431 1292912420 /nfs/dbraw/zinc/91/24/20/1292912420.db2.gz UMGDDLPOTJUMRE-HXUWFJFHSA-N 2 1 341.499 2.012 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000854664431 1292912424 /nfs/dbraw/zinc/91/24/24/1292912424.db2.gz UMGDDLPOTJUMRE-HXUWFJFHSA-N 2 1 341.499 2.012 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095521 1295237039 /nfs/dbraw/zinc/23/70/39/1295237039.db2.gz JRSQQAPSRYWUQH-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213575988 1296095167 /nfs/dbraw/zinc/09/51/67/1296095167.db2.gz DHBRIRBHUZKBCW-CGTJXYLNSA-N 2 1 348.491 2.142 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213575988 1296095184 /nfs/dbraw/zinc/09/51/84/1296095184.db2.gz DHBRIRBHUZKBCW-CGTJXYLNSA-N 2 1 348.491 2.142 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001073099950 1296520595 /nfs/dbraw/zinc/52/05/95/1296520595.db2.gz UIKIKYFSFDJQSW-UHFFFAOYSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001073099950 1296520603 /nfs/dbraw/zinc/52/06/03/1296520603.db2.gz UIKIKYFSFDJQSW-UHFFFAOYSA-N 2 1 339.911 2.394 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001215001674 1296686242 /nfs/dbraw/zinc/68/62/42/1296686242.db2.gz NSZKHHKYPHIKGN-IEBWSBKVSA-N 2 1 341.499 2.205 20 30 EEEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218918632 1297864287 /nfs/dbraw/zinc/86/42/87/1297864287.db2.gz IEHBOPWLCGPQHF-ZWKOTPCHSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218918632 1297864297 /nfs/dbraw/zinc/86/42/97/1297864297.db2.gz IEHBOPWLCGPQHF-ZWKOTPCHSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218918632 1297864299 /nfs/dbraw/zinc/86/42/99/1297864299.db2.gz IEHBOPWLCGPQHF-ZWKOTPCHSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369263 1298375029 /nfs/dbraw/zinc/37/50/29/1298375029.db2.gz DLVIOWIMYKJITD-SJORKVTESA-N 2 1 341.540 2.096 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369263 1298375041 /nfs/dbraw/zinc/37/50/41/1298375041.db2.gz DLVIOWIMYKJITD-SJORKVTESA-N 2 1 341.540 2.096 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369263 1298375055 /nfs/dbraw/zinc/37/50/55/1298375055.db2.gz DLVIOWIMYKJITD-SJORKVTESA-N 2 1 341.540 2.096 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099372176 1299107863 /nfs/dbraw/zinc/10/78/63/1299107863.db2.gz LEHFNWXZKWAYTD-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001099556391 1299218874 /nfs/dbraw/zinc/21/88/74/1299218874.db2.gz KCNLELXEBXRAML-QAETUUGQSA-N 2 1 339.911 2.248 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099556391 1299218888 /nfs/dbraw/zinc/21/88/88/1299218888.db2.gz KCNLELXEBXRAML-QAETUUGQSA-N 2 1 339.911 2.248 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099556391 1299218899 /nfs/dbraw/zinc/21/88/99/1299218899.db2.gz KCNLELXEBXRAML-QAETUUGQSA-N 2 1 339.911 2.248 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223955802 1300347858 /nfs/dbraw/zinc/34/78/58/1300347858.db2.gz RAESCYIHZICDLA-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223955802 1300347871 /nfs/dbraw/zinc/34/78/71/1300347871.db2.gz RAESCYIHZICDLA-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@@H]21 ZINC001224010570 1300376096 /nfs/dbraw/zinc/37/60/96/1300376096.db2.gz ZVIYEVCITBPDQH-HBFSDRIKSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@@H]21 ZINC001224010570 1300376108 /nfs/dbraw/zinc/37/61/08/1300376108.db2.gz ZVIYEVCITBPDQH-HBFSDRIKSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@@H]21 ZINC001224010570 1300376120 /nfs/dbraw/zinc/37/61/20/1300376120.db2.gz ZVIYEVCITBPDQH-HBFSDRIKSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CCCC[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276978749 1300634993 /nfs/dbraw/zinc/63/49/93/1300634993.db2.gz RBWLCSMPIYSZPC-ICSRJNTNSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001224796909 1300740889 /nfs/dbraw/zinc/74/08/89/1300740889.db2.gz UYLNZWCACAFEBI-MOPGFXCFSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086462 1302193360 /nfs/dbraw/zinc/19/33/60/1302193360.db2.gz DOMXIXNPVNVREN-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086462 1302193366 /nfs/dbraw/zinc/19/33/66/1302193366.db2.gz DOMXIXNPVNVREN-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086462 1302193373 /nfs/dbraw/zinc/19/33/73/1302193373.db2.gz DOMXIXNPVNVREN-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1)[NH+](C)C ZINC001229224443 1302684775 /nfs/dbraw/zinc/68/47/75/1302684775.db2.gz ZVCOWYMPIXHNBG-SFHVURJKSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CCC3CC3)C[C@H]2C)CC1 ZINC001103751787 1303296695 /nfs/dbraw/zinc/29/66/95/1303296695.db2.gz RRYWFAYDRROHIX-YLJYHZDGSA-N 2 1 345.531 2.206 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230619423 1303328223 /nfs/dbraw/zinc/32/82/23/1303328223.db2.gz YSJBPZAYNWJKFZ-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230619423 1303328226 /nfs/dbraw/zinc/32/82/26/1303328226.db2.gz YSJBPZAYNWJKFZ-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230619423 1303328234 /nfs/dbraw/zinc/32/82/34/1303328234.db2.gz YSJBPZAYNWJKFZ-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112197527 1304320108 /nfs/dbraw/zinc/32/01/08/1304320108.db2.gz VVRASLVIEQOHBD-ZIAGYGMSSA-N 2 1 335.414 2.273 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001234415363 1304914879 /nfs/dbraw/zinc/91/48/79/1304914879.db2.gz SKENKDBWDSRCPT-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001234415363 1304914882 /nfs/dbraw/zinc/91/48/82/1304914882.db2.gz SKENKDBWDSRCPT-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001234415363 1304914885 /nfs/dbraw/zinc/91/48/85/1304914885.db2.gz SKENKDBWDSRCPT-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001234415363 1304914892 /nfs/dbraw/zinc/91/48/92/1304914892.db2.gz SKENKDBWDSRCPT-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP N#Cc1ccc(Oc2ccc(C[NH+]3CC(N4CC[NH2+]CC4)C3)cc2)cc1 ZINC001236161004 1305517436 /nfs/dbraw/zinc/51/74/36/1305517436.db2.gz VYOSJKDKULCMJM-UHFFFAOYSA-N 2 1 348.450 2.440 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448661 1309545567 /nfs/dbraw/zinc/54/55/67/1309545567.db2.gz DCAKGLOWBRLXOD-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120448723 1309546579 /nfs/dbraw/zinc/54/65/79/1309546579.db2.gz FDCSSAYJHLCZIM-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448723 1309546586 /nfs/dbraw/zinc/54/65/86/1309546586.db2.gz FDCSSAYJHLCZIM-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448723 1309546592 /nfs/dbraw/zinc/54/65/92/1309546592.db2.gz FDCSSAYJHLCZIM-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001121402214 1310007069 /nfs/dbraw/zinc/00/70/69/1310007069.db2.gz HSIGPZZJJCIHMG-UHFFFAOYSA-N 2 1 342.487 2.355 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149707036 1316020923 /nfs/dbraw/zinc/02/09/23/1316020923.db2.gz BUIQAFPJWROGTJ-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149707036 1316020927 /nfs/dbraw/zinc/02/09/27/1316020927.db2.gz BUIQAFPJWROGTJ-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149707036 1316020932 /nfs/dbraw/zinc/02/09/32/1316020932.db2.gz BUIQAFPJWROGTJ-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001149733775 1316029390 /nfs/dbraw/zinc/02/93/90/1316029390.db2.gz NBFDOBYKJVSOFM-IAGOWNOFSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001149733775 1316029391 /nfs/dbraw/zinc/02/93/91/1316029391.db2.gz NBFDOBYKJVSOFM-IAGOWNOFSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149860764 1316070165 /nfs/dbraw/zinc/07/01/65/1316070165.db2.gz KCONORQMZRNMLT-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149860764 1316070168 /nfs/dbraw/zinc/07/01/68/1316070168.db2.gz KCONORQMZRNMLT-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149860764 1316070171 /nfs/dbraw/zinc/07/01/71/1316070171.db2.gz KCONORQMZRNMLT-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155024262 1317423731 /nfs/dbraw/zinc/42/37/31/1317423731.db2.gz VSKKMCIVOJEGQN-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155024262 1317423733 /nfs/dbraw/zinc/42/37/33/1317423733.db2.gz VSKKMCIVOJEGQN-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255593 1317524245 /nfs/dbraw/zinc/52/42/45/1317524245.db2.gz VILVJOCYVXHEKD-LSDHHAIUSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155255593 1317524253 /nfs/dbraw/zinc/52/42/53/1317524253.db2.gz VILVJOCYVXHEKD-LSDHHAIUSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155255593 1317524258 /nfs/dbraw/zinc/52/42/58/1317524258.db2.gz VILVJOCYVXHEKD-LSDHHAIUSA-N 2 1 348.516 2.288 20 30 EEEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001252471964 1317610229 /nfs/dbraw/zinc/61/02/29/1317610229.db2.gz LFIBXELGMXZCOY-PWRODBHTSA-N 2 1 344.499 2.394 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001252471964 1317610233 /nfs/dbraw/zinc/61/02/33/1317610233.db2.gz LFIBXELGMXZCOY-PWRODBHTSA-N 2 1 344.499 2.394 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001252471964 1317610237 /nfs/dbraw/zinc/61/02/37/1317610237.db2.gz LFIBXELGMXZCOY-PWRODBHTSA-N 2 1 344.499 2.394 20 30 EEEDMP C=C[C@@](C)(O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001252553493 1317635579 /nfs/dbraw/zinc/63/55/79/1317635579.db2.gz YFERKKFCDKKLKV-NJYVYQBISA-N 2 1 348.531 2.384 20 30 EEEDMP C=C[C@@](C)(O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001252553493 1317635584 /nfs/dbraw/zinc/63/55/84/1317635584.db2.gz YFERKKFCDKKLKV-NJYVYQBISA-N 2 1 348.531 2.384 20 30 EEEDMP C=C[C@@](C)(O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001252553493 1317635589 /nfs/dbraw/zinc/63/55/89/1317635589.db2.gz YFERKKFCDKKLKV-NJYVYQBISA-N 2 1 348.531 2.384 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131185 1317892222 /nfs/dbraw/zinc/89/22/22/1317892222.db2.gz GWGJWPKGKOWPIV-QGZVFWFLSA-N 2 1 339.524 2.136 20 30 EEEDMP C#CCOCCOCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392124 1318387147 /nfs/dbraw/zinc/38/71/47/1318387147.db2.gz YCJKSTMURMJONJ-FQEVSTJZSA-N 2 1 330.472 2.297 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001158472707 1319258282 /nfs/dbraw/zinc/25/82/82/1319258282.db2.gz FHNACEQYPADPRZ-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001158472707 1319258287 /nfs/dbraw/zinc/25/82/87/1319258287.db2.gz FHNACEQYPADPRZ-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158723512 1319400824 /nfs/dbraw/zinc/40/08/24/1319400824.db2.gz BATBQFMKLWMFJJ-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(=C)C)CC1 ZINC001158914336 1319504209 /nfs/dbraw/zinc/50/42/09/1319504209.db2.gz NKUCCTCXGPPGED-LJQANCHMSA-N 2 1 331.504 2.221 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001159869081 1320008739 /nfs/dbraw/zinc/00/87/39/1320008739.db2.gz SFRNNSCRVZPZDE-WMZOPIPTSA-N 2 1 337.508 2.080 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001160267136 1320116379 /nfs/dbraw/zinc/11/63/79/1320116379.db2.gz LSPNZNQYXQWRDG-LJQANCHMSA-N 2 1 345.462 2.148 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCCC)CC1 ZINC001160386230 1320152341 /nfs/dbraw/zinc/15/23/41/1320152341.db2.gz OJJFOJVUJPPLTE-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCCC)CC1 ZINC001160386230 1320152343 /nfs/dbraw/zinc/15/23/43/1320152343.db2.gz OJJFOJVUJPPLTE-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCCC)CC1 ZINC001160386230 1320152345 /nfs/dbraw/zinc/15/23/45/1320152345.db2.gz OJJFOJVUJPPLTE-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCCC)CC1 ZINC001160386230 1320152346 /nfs/dbraw/zinc/15/23/46/1320152346.db2.gz OJJFOJVUJPPLTE-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)Cc2cnccc2OC)CC1 ZINC001160478869 1320172457 /nfs/dbraw/zinc/17/24/57/1320172457.db2.gz BWVIYLGMYVEJJK-UHFFFAOYSA-N 2 1 329.444 2.347 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160787223 1320268555 /nfs/dbraw/zinc/26/85/55/1320268555.db2.gz KMQKWCXIVOJUOR-UHFFFAOYSA-N 2 1 331.504 2.270 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203633515 1321928900 /nfs/dbraw/zinc/92/89/00/1321928900.db2.gz YDRLUOUBNMRAOO-GJZGRUSLSA-N 2 1 327.900 2.488 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203824346 1321969209 /nfs/dbraw/zinc/96/92/09/1321969209.db2.gz ONKHCAQKYFIWKM-QZTJIDSGSA-N 2 1 327.472 2.321 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203824346 1321969212 /nfs/dbraw/zinc/96/92/12/1321969212.db2.gz ONKHCAQKYFIWKM-QZTJIDSGSA-N 2 1 327.472 2.321 20 30 EEEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCCC[C@](O)(C[NH3+])C3)cc2)c1 ZINC001205682299 1323243261 /nfs/dbraw/zinc/24/32/61/1323243261.db2.gz RRFOOXKFKCYLMJ-FQEVSTJZSA-N 2 1 336.439 2.296 20 30 EEEDMP C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207757430 1324129506 /nfs/dbraw/zinc/12/95/06/1324129506.db2.gz BTLVPSUQELIISR-DGCLKSJQSA-N 2 1 346.313 2.062 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001210494855 1325309958 /nfs/dbraw/zinc/30/99/58/1325309958.db2.gz YFGQJNSBABSUMF-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001210781692 1325427979 /nfs/dbraw/zinc/42/79/79/1325427979.db2.gz BKZWIVZHADOTHR-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC001335986883 1336461074 /nfs/dbraw/zinc/46/10/74/1336461074.db2.gz PIZHGOAIEOIUNG-HXUWFJFHSA-N 2 1 344.499 2.429 20 30 EEEDMP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001339880326 1337089735 /nfs/dbraw/zinc/08/97/35/1337089735.db2.gz OFZFIXMLZWZNFX-CVEARBPZSA-N 2 1 346.523 2.192 20 30 EEEDMP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001574614419 1343689182 /nfs/dbraw/zinc/68/91/82/1343689182.db2.gz AZERFUTVOZXTDG-IRXDYDNUSA-N 2 1 344.507 2.037 20 30 EEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001665072047 1355271571 /nfs/dbraw/zinc/27/15/71/1355271571.db2.gz XAGKJLIMASMDHU-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001665072047 1355271577 /nfs/dbraw/zinc/27/15/77/1355271577.db2.gz XAGKJLIMASMDHU-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401769 1371431600 /nfs/dbraw/zinc/43/16/00/1371431600.db2.gz XHVNYFFPNFIMJZ-YJBOKZPZSA-N 2 1 339.911 2.442 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001121233023 1371865331 /nfs/dbraw/zinc/86/53/31/1371865331.db2.gz LSWMQMXWFUKUHM-HNSLBZJHSA-N 2 1 343.515 2.434 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)Cc2ccc(C#N)s2)CC1 ZINC001378934208 1380304980 /nfs/dbraw/zinc/30/49/80/1380304980.db2.gz DMTCDSOETALSKA-UHFFFAOYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)Cc2ccc(C#N)s2)CC1 ZINC001378934208 1380304982 /nfs/dbraw/zinc/30/49/82/1380304982.db2.gz DMTCDSOETALSKA-UHFFFAOYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)s2)CC1 ZINC001378934208 1380304984 /nfs/dbraw/zinc/30/49/84/1380304984.db2.gz DMTCDSOETALSKA-UHFFFAOYSA-N 2 1 348.516 2.384 20 30 EEEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001752806283 1406425715 /nfs/dbraw/zinc/42/57/15/1406425715.db2.gz IXKZTTYDAKXLMX-LJQANCHMSA-N 2 1 329.488 2.175 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccccc2C#N)C1 ZINC001393392028 1390424011 /nfs/dbraw/zinc/42/40/11/1390424011.db2.gz QEJQNSRBUUPSBI-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001402146114 1397795379 /nfs/dbraw/zinc/79/53/79/1397795379.db2.gz YSTUMTWWNBTIEQ-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001402146114 1397795386 /nfs/dbraw/zinc/79/53/86/1397795386.db2.gz YSTUMTWWNBTIEQ-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001402146114 1397795392 /nfs/dbraw/zinc/79/53/92/1397795392.db2.gz YSTUMTWWNBTIEQ-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001402146114 1397795398 /nfs/dbraw/zinc/79/53/98/1397795398.db2.gz YSTUMTWWNBTIEQ-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001754581979 1406930943 /nfs/dbraw/zinc/93/09/43/1406930943.db2.gz PBFCAPIJDGGSHX-ZBFHGGJFSA-N 2 1 330.476 2.251 20 30 EEEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)CO2 ZINC001755065057 1407073848 /nfs/dbraw/zinc/07/38/48/1407073848.db2.gz CMRQNHATADLGJM-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)CO2 ZINC001755064682 1407073086 /nfs/dbraw/zinc/07/30/86/1407073086.db2.gz VRCHTIWXAUDBQD-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)CO2 ZINC001755064682 1407073092 /nfs/dbraw/zinc/07/30/92/1407073092.db2.gz VRCHTIWXAUDBQD-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001422854653 1400230335 /nfs/dbraw/zinc/23/03/35/1400230335.db2.gz GRSLCGYVBVNGKH-UHFFFAOYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001422854653 1400230349 /nfs/dbraw/zinc/23/03/49/1400230349.db2.gz GRSLCGYVBVNGKH-UHFFFAOYSA-N 2 1 325.884 2.005 20 30 EEEDMP CC#CC[NH2+][C@H](CCN(C)C(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001755351100 1407351557 /nfs/dbraw/zinc/35/15/57/1407351557.db2.gz RAWAZABWRNZLLJ-QGZVFWFLSA-N 2 1 332.492 2.493 20 30 EEEDMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001755588399 1407659688 /nfs/dbraw/zinc/65/96/88/1407659688.db2.gz YQFXATLXESWSGL-PBHICJAKSA-N 2 1 333.480 2.193 20 30 EEEDMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001755588399 1407659692 /nfs/dbraw/zinc/65/96/92/1407659692.db2.gz YQFXATLXESWSGL-PBHICJAKSA-N 2 1 333.480 2.193 20 30 EEEDMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000303872604 1409792346 /nfs/dbraw/zinc/79/23/46/1409792346.db2.gz GMAXKSPUBDFMFM-AWEZNQCLSA-N 2 1 332.448 2.306 20 30 EEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001100401495 1410648626 /nfs/dbraw/zinc/64/86/26/1410648626.db2.gz AXJWNKGLCKDMCJ-FAFZWHIHSA-N 2 1 349.519 2.080 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001112396913 1410896676 /nfs/dbraw/zinc/89/66/76/1410896676.db2.gz JXMBKPJWYXKTHL-ZWOKBUDYSA-N 2 1 340.471 2.002 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762995 782201929 /nfs/dbraw/zinc/20/19/29/782201929.db2.gz XQCWJIURSMFWGR-RBUKOAKNSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(=C)C)[C@@H]2CC)CC1 ZINC001087840379 782348589 /nfs/dbraw/zinc/34/85/89/782348589.db2.gz VNOYQWDZVCBMMG-RBUKOAKNSA-N 2 1 331.504 2.267 20 30 EEEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001167232444 757536344 /nfs/dbraw/zinc/53/63/44/757536344.db2.gz CQGPAQBYFZNARG-LJQANCHMSA-N 2 1 337.483 2.098 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115578030 757849064 /nfs/dbraw/zinc/84/90/64/757849064.db2.gz VQSLBEGKUSMHAR-BPLPYTOXSA-N 2 1 337.895 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115578030 757849077 /nfs/dbraw/zinc/84/90/77/757849077.db2.gz VQSLBEGKUSMHAR-BPLPYTOXSA-N 2 1 337.895 2.245 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001112514948 760805520 /nfs/dbraw/zinc/80/55/20/760805520.db2.gz PHDUTFKWGOQCSY-ZJOUEHCJSA-N 2 1 345.531 2.350 20 30 EEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104680083 764719113 /nfs/dbraw/zinc/71/91/13/764719113.db2.gz OZSNHDSUDBHHDA-SQWLQELKSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001104775415 765266905 /nfs/dbraw/zinc/26/69/05/765266905.db2.gz FOLZKXLYQBFZBA-GZBFAFLISA-N 2 1 338.883 2.415 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487206 769750486 /nfs/dbraw/zinc/75/04/86/769750486.db2.gz JSAQPKFEKXFOMG-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487206 769750495 /nfs/dbraw/zinc/75/04/95/769750495.db2.gz JSAQPKFEKXFOMG-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089505404 769996310 /nfs/dbraw/zinc/99/63/10/769996310.db2.gz HBDOENMMHGWDEF-INIZCTEOSA-N 2 1 330.476 2.247 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089505404 769996315 /nfs/dbraw/zinc/99/63/15/769996315.db2.gz HBDOENMMHGWDEF-INIZCTEOSA-N 2 1 330.476 2.247 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089646266 773682949 /nfs/dbraw/zinc/68/29/49/773682949.db2.gz NBSNHLVFJJNPQN-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089646266 773682954 /nfs/dbraw/zinc/68/29/54/773682954.db2.gz NBSNHLVFJJNPQN-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089646266 773682960 /nfs/dbraw/zinc/68/29/60/773682960.db2.gz NBSNHLVFJJNPQN-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC000980081057 773836251 /nfs/dbraw/zinc/83/62/51/773836251.db2.gz DCZIGLUWNJOUDZ-HRCADAONSA-N 2 1 346.475 2.143 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC000980081057 773836256 /nfs/dbraw/zinc/83/62/56/773836256.db2.gz DCZIGLUWNJOUDZ-HRCADAONSA-N 2 1 346.475 2.143 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980215645 774125523 /nfs/dbraw/zinc/12/55/23/774125523.db2.gz HXXUTPVHKLGLHA-UFYCRDLUSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001031742543 774206068 /nfs/dbraw/zinc/20/60/68/774206068.db2.gz JVWMBMXBBRBINZ-XLIONFOSSA-N 2 1 339.483 2.202 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723194 775931569 /nfs/dbraw/zinc/93/15/69/775931569.db2.gz SLUMLWOEVJUQTR-PXNSSMCTSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000997613289 790446952 /nfs/dbraw/zinc/44/69/52/790446952.db2.gz IAXUICKIJVUGID-QFBILLFUSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001089833499 777339740 /nfs/dbraw/zinc/33/97/40/777339740.db2.gz LATZXSJAPIJLPN-LEAZDLGRSA-N 2 1 348.450 2.140 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089839508 777552105 /nfs/dbraw/zinc/55/21/05/777552105.db2.gz UNNFYDVNELEKQK-NXOAAHMSSA-N 2 1 348.878 2.113 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089839508 777552108 /nfs/dbraw/zinc/55/21/08/777552108.db2.gz UNNFYDVNELEKQK-NXOAAHMSSA-N 2 1 348.878 2.113 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767125 778164706 /nfs/dbraw/zinc/16/47/06/778164706.db2.gz JDSGBKNJLWGUBK-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981767125 778164710 /nfs/dbraw/zinc/16/47/10/778164710.db2.gz JDSGBKNJLWGUBK-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767125 778164714 /nfs/dbraw/zinc/16/47/14/778164714.db2.gz JDSGBKNJLWGUBK-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC000981861474 778409443 /nfs/dbraw/zinc/40/94/43/778409443.db2.gz SWBPQNLMKUTAIB-UHFFFAOYSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000981861474 778409451 /nfs/dbraw/zinc/40/94/51/778409451.db2.gz SWBPQNLMKUTAIB-UHFFFAOYSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000981861474 778409456 /nfs/dbraw/zinc/40/94/56/778409456.db2.gz SWBPQNLMKUTAIB-UHFFFAOYSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000982013180 778865989 /nfs/dbraw/zinc/86/59/89/778865989.db2.gz NLSWJCNQRONJQB-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000982013180 778865994 /nfs/dbraw/zinc/86/59/94/778865994.db2.gz NLSWJCNQRONJQB-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283728 779533399 /nfs/dbraw/zinc/53/33/99/779533399.db2.gz YBHLCOXQWIHMHN-AHCXZYCDSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283728 779533408 /nfs/dbraw/zinc/53/34/08/779533408.db2.gz YBHLCOXQWIHMHN-AHCXZYCDSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283728 779533415 /nfs/dbraw/zinc/53/34/15/779533415.db2.gz YBHLCOXQWIHMHN-AHCXZYCDSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283728 779533423 /nfs/dbraw/zinc/53/34/23/779533423.db2.gz YBHLCOXQWIHMHN-AHCXZYCDSA-N 2 1 339.911 2.250 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001105395784 781889081 /nfs/dbraw/zinc/88/90/81/781889081.db2.gz FLEWRYBKRRVYKR-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001105395784 781889084 /nfs/dbraw/zinc/88/90/84/781889084.db2.gz FLEWRYBKRRVYKR-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001105395784 781889091 /nfs/dbraw/zinc/88/90/91/781889091.db2.gz FLEWRYBKRRVYKR-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396033 781909353 /nfs/dbraw/zinc/90/93/53/781909353.db2.gz HGJOXQOHFLTTHV-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035196102 784026922 /nfs/dbraw/zinc/02/69/22/784026922.db2.gz SPGRQVOOMCHCMQ-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196102 784026926 /nfs/dbraw/zinc/02/69/26/784026926.db2.gz SPGRQVOOMCHCMQ-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196102 784026932 /nfs/dbraw/zinc/02/69/32/784026932.db2.gz SPGRQVOOMCHCMQ-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199852 784038871 /nfs/dbraw/zinc/03/88/71/784038871.db2.gz ROLGZCJFXOKISA-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035199852 784038877 /nfs/dbraw/zinc/03/88/77/784038877.db2.gz ROLGZCJFXOKISA-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035199852 784038884 /nfs/dbraw/zinc/03/88/84/784038884.db2.gz ROLGZCJFXOKISA-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035189661 784071624 /nfs/dbraw/zinc/07/16/24/784071624.db2.gz KDBBTDLAWFQILD-UHFFFAOYSA-N 2 1 345.512 2.371 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001086786119 784480416 /nfs/dbraw/zinc/48/04/16/784480416.db2.gz KHBJMJWHBPIOFZ-YHUYYLMFSA-N 2 1 327.900 2.344 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135977317 784927254 /nfs/dbraw/zinc/92/72/54/784927254.db2.gz SBDQVQVHTCLHOO-LSDHHAIUSA-N 2 1 348.466 2.412 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107579319 787734662 /nfs/dbraw/zinc/73/46/62/787734662.db2.gz COXPNBRFBKRACL-WSTZPKSXSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c(OC)c1 ZINC000923370451 789446886 /nfs/dbraw/zinc/44/68/86/789446886.db2.gz OUYXWIKGYGZXGY-DOHHPOSVSA-N 2 1 348.487 2.140 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941974 789561646 /nfs/dbraw/zinc/56/16/46/789561646.db2.gz PEEHEGKWVNAWBC-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941974 789561651 /nfs/dbraw/zinc/56/16/51/789561651.db2.gz PEEHEGKWVNAWBC-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941974 789561657 /nfs/dbraw/zinc/56/16/57/789561657.db2.gz PEEHEGKWVNAWBC-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904562 789622070 /nfs/dbraw/zinc/62/20/70/789622070.db2.gz JPSPZCRKXATHMT-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089910078 789919134 /nfs/dbraw/zinc/91/91/34/789919134.db2.gz YZBFMESIPIYBRC-HZMVEIRTSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843692 806065865 /nfs/dbraw/zinc/06/58/65/806065865.db2.gz XWHSTLLLPDSSQZ-QYZOEREBSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843692 806065874 /nfs/dbraw/zinc/06/58/74/806065874.db2.gz XWHSTLLLPDSSQZ-QYZOEREBSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998054118 791897435 /nfs/dbraw/zinc/89/74/35/791897435.db2.gz VWLQFGNRUGWKGK-INIZCTEOSA-N 2 1 346.475 2.076 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998054118 791897439 /nfs/dbraw/zinc/89/74/39/791897439.db2.gz VWLQFGNRUGWKGK-INIZCTEOSA-N 2 1 346.475 2.076 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998091463 791946191 /nfs/dbraw/zinc/94/61/91/791946191.db2.gz BPLRJCTYBSGHAB-MSOLQXFVSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998091463 791946194 /nfs/dbraw/zinc/94/61/94/791946194.db2.gz BPLRJCTYBSGHAB-MSOLQXFVSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925249 792998377 /nfs/dbraw/zinc/99/83/77/792998377.db2.gz QDICVXVKLUEYAF-CEXWTWQISA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942304 793034142 /nfs/dbraw/zinc/03/41/42/793034142.db2.gz NQROPLVGUHRJOG-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001091787627 793255414 /nfs/dbraw/zinc/25/54/14/793255414.db2.gz HYJYKSGZBQMPRF-VYDXJSESSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091787627 793255419 /nfs/dbraw/zinc/25/54/19/793255419.db2.gz HYJYKSGZBQMPRF-VYDXJSESSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091787627 793255424 /nfs/dbraw/zinc/25/54/24/793255424.db2.gz HYJYKSGZBQMPRF-VYDXJSESSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091787627 793255430 /nfs/dbraw/zinc/25/54/30/793255430.db2.gz HYJYKSGZBQMPRF-VYDXJSESSA-N 2 1 325.884 2.004 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3cnn(-c4ccncc4)c3)CCC[C@@H]12 ZINC000992353160 793777176 /nfs/dbraw/zinc/77/71/76/793777176.db2.gz RHHDJNFWBIDGHN-UYAOXDASSA-N 2 1 349.438 2.017 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC000992353160 793777183 /nfs/dbraw/zinc/77/71/83/793777183.db2.gz RHHDJNFWBIDGHN-UYAOXDASSA-N 2 1 349.438 2.017 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999405810 794420123 /nfs/dbraw/zinc/42/01/23/794420123.db2.gz JLSXFFXVNFVVKV-MNNVXMFVSA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907568 794426980 /nfs/dbraw/zinc/42/69/80/794426980.db2.gz PGNPOZHKTZOYJL-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907568 794426986 /nfs/dbraw/zinc/42/69/86/794426986.db2.gz PGNPOZHKTZOYJL-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907568 794426995 /nfs/dbraw/zinc/42/69/95/794426995.db2.gz PGNPOZHKTZOYJL-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079206138 794455932 /nfs/dbraw/zinc/45/59/32/794455932.db2.gz YIOXUGGBDZWKRC-ZYSHUDEJSA-N 2 1 345.462 2.238 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(=C)Cl)CC3)CC1 ZINC000992515735 794472198 /nfs/dbraw/zinc/47/21/98/794472198.db2.gz ZSRWNNBPGIZDTI-HKUYNNGSSA-N 2 1 349.906 2.197 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092964205 794502056 /nfs/dbraw/zinc/50/20/56/794502056.db2.gz DDGDNZGGONKJIF-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092964205 794502061 /nfs/dbraw/zinc/50/20/61/794502061.db2.gz DDGDNZGGONKJIF-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093360943 795087334 /nfs/dbraw/zinc/08/73/34/795087334.db2.gz GOGSGMIPSOMIPI-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001093360943 795087339 /nfs/dbraw/zinc/08/73/39/795087339.db2.gz GOGSGMIPSOMIPI-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001093360943 795087345 /nfs/dbraw/zinc/08/73/45/795087345.db2.gz GOGSGMIPSOMIPI-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093373915 795107276 /nfs/dbraw/zinc/10/72/76/795107276.db2.gz UWPNXRCZZCHLST-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001093382653 795123749 /nfs/dbraw/zinc/12/37/49/795123749.db2.gz CMBULRBYJSRXAV-RBUKOAKNSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093382653 795123751 /nfs/dbraw/zinc/12/37/51/795123751.db2.gz CMBULRBYJSRXAV-RBUKOAKNSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093382653 795123753 /nfs/dbraw/zinc/12/37/53/795123753.db2.gz CMBULRBYJSRXAV-RBUKOAKNSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093384366 795128792 /nfs/dbraw/zinc/12/87/92/795128792.db2.gz XSNVDKDNMSZGQI-FQEVSTJZSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992587 795244595 /nfs/dbraw/zinc/24/45/95/795244595.db2.gz ADPVOFXHBRDYGI-AEFFLSMTSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001093540932 795346269 /nfs/dbraw/zinc/34/62/69/795346269.db2.gz UJZPSHBMBSRQJM-LJQANCHMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001093540932 795346278 /nfs/dbraw/zinc/34/62/78/795346278.db2.gz UJZPSHBMBSRQJM-LJQANCHMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001106669029 796079926 /nfs/dbraw/zinc/07/99/26/796079926.db2.gz UZEOOPMDNLWONY-HZPDHXFCSA-N 2 1 346.475 2.144 20 30 EEEDMP C[C@@H](CCCC#N)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001172496584 797008125 /nfs/dbraw/zinc/00/81/25/797008125.db2.gz OGRPGZNRMIUSKE-JKSUJKDBSA-N 2 1 331.464 2.220 20 30 EEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001175286836 798049002 /nfs/dbraw/zinc/04/90/02/798049002.db2.gz ANESFZHBIYKQCU-HNNXBMFYSA-N 2 1 334.464 2.335 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603682 798302634 /nfs/dbraw/zinc/30/26/34/798302634.db2.gz FQZYBAFPZOXTTQ-MISYRCLQSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603682 798302641 /nfs/dbraw/zinc/30/26/41/798302641.db2.gz FQZYBAFPZOXTTQ-MISYRCLQSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603682 798302648 /nfs/dbraw/zinc/30/26/48/798302648.db2.gz FQZYBAFPZOXTTQ-MISYRCLQSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944553 798567576 /nfs/dbraw/zinc/56/75/76/798567576.db2.gz VRWIBDAPXVAUSM-KSZLIROESA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944553 798567577 /nfs/dbraw/zinc/56/75/77/798567577.db2.gz VRWIBDAPXVAUSM-KSZLIROESA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084961199 798579432 /nfs/dbraw/zinc/57/94/32/798579432.db2.gz RPRLFKJMMZFTII-QYZOEREBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084961199 798579435 /nfs/dbraw/zinc/57/94/35/798579435.db2.gz RPRLFKJMMZFTII-QYZOEREBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084961199 798579438 /nfs/dbraw/zinc/57/94/38/798579438.db2.gz RPRLFKJMMZFTII-QYZOEREBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084961199 798579440 /nfs/dbraw/zinc/57/94/40/798579440.db2.gz RPRLFKJMMZFTII-QYZOEREBSA-N 2 1 345.531 2.443 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001176844592 798617649 /nfs/dbraw/zinc/61/76/49/798617649.db2.gz LNLBEEYIVRKREV-IYBDPMFKSA-N 2 1 328.460 2.027 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049740 798638194 /nfs/dbraw/zinc/63/81/94/798638194.db2.gz VRHHRPMJDJAJGM-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049740 798638198 /nfs/dbraw/zinc/63/81/98/798638198.db2.gz VRHHRPMJDJAJGM-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049740 798638202 /nfs/dbraw/zinc/63/82/02/798638202.db2.gz VRHHRPMJDJAJGM-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H](F)CC)[C@H]3C2)CC1 ZINC001085100414 798674241 /nfs/dbraw/zinc/67/42/41/798674241.db2.gz AAVLMGVDIQBTNO-NEWSRXKRSA-N 2 1 349.494 2.003 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001177345180 798879981 /nfs/dbraw/zinc/87/99/81/798879981.db2.gz SIFBHVUOEIZXKP-UHFFFAOYSA-N 2 1 333.520 2.493 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001180226729 800316898 /nfs/dbraw/zinc/31/68/98/800316898.db2.gz JDWSPXYKQICAOI-KSSFIOAISA-N 2 1 346.450 2.117 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001180259386 800336646 /nfs/dbraw/zinc/33/66/46/800336646.db2.gz FCWKNCGZHJMOTG-HNNXBMFYSA-N 2 1 348.516 2.338 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299289 800344931 /nfs/dbraw/zinc/34/49/31/800344931.db2.gz PGPLPKPMINUHAQ-RDJZCZTQSA-N 2 1 335.879 2.450 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299289 800344940 /nfs/dbraw/zinc/34/49/40/800344940.db2.gz PGPLPKPMINUHAQ-RDJZCZTQSA-N 2 1 335.879 2.450 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001004475567 802174905 /nfs/dbraw/zinc/17/49/05/802174905.db2.gz UTRXUOVBTWVYLQ-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004475567 802174908 /nfs/dbraw/zinc/17/49/08/802174908.db2.gz UTRXUOVBTWVYLQ-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004475567 802174911 /nfs/dbraw/zinc/17/49/11/802174911.db2.gz UTRXUOVBTWVYLQ-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498101 802229921 /nfs/dbraw/zinc/22/99/21/802229921.db2.gz MJYIRMWSISMGMT-VQTJNVASSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623739 802290869 /nfs/dbraw/zinc/29/08/69/802290869.db2.gz PBRLWVYXLZDYQM-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623739 802290877 /nfs/dbraw/zinc/29/08/77/802290877.db2.gz PBRLWVYXLZDYQM-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623739 802290883 /nfs/dbraw/zinc/29/08/83/802290883.db2.gz PBRLWVYXLZDYQM-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3nccn3C)CC[C@@H]2C1 ZINC000946694097 802838375 /nfs/dbraw/zinc/83/83/75/802838375.db2.gz LSSJWYQWAXSCJL-CALCHBBNSA-N 2 1 330.476 2.099 20 30 EEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100082503 802954966 /nfs/dbraw/zinc/95/49/66/802954966.db2.gz COMJAPMCJMVINJ-ZWKOTPCHSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082503 802954971 /nfs/dbraw/zinc/95/49/71/802954971.db2.gz COMJAPMCJMVINJ-ZWKOTPCHSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082503 802954973 /nfs/dbraw/zinc/95/49/73/802954973.db2.gz COMJAPMCJMVINJ-ZWKOTPCHSA-N 2 1 339.524 2.016 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398094 803436572 /nfs/dbraw/zinc/43/65/72/803436572.db2.gz AHEMCJJMNQRKKD-LJQANCHMSA-N 2 1 339.524 2.260 20 30 EEEDMP CC(=O)N1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527610 803825948 /nfs/dbraw/zinc/82/59/48/803825948.db2.gz XZVMRBJWGGRSEA-UFYCRDLUSA-N 2 1 340.471 2.251 20 30 EEEDMP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001108716207 804385066 /nfs/dbraw/zinc/38/50/66/804385066.db2.gz KVGXCTBVOCPBDS-JYJNAYRXSA-N 2 1 346.475 2.285 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001129418592 810832912 /nfs/dbraw/zinc/83/29/12/810832912.db2.gz VHXLRRYSYNPVQY-GOSISDBHSA-N 2 1 328.460 2.027 20 30 EEEDMP C=CCCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@H+](C)CCC)C1 ZINC001130446287 811651713 /nfs/dbraw/zinc/65/17/13/811651713.db2.gz JZPRRIFWXBDWFU-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP COCC[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181488144 234202601 /nfs/dbraw/zinc/20/26/01/234202601.db2.gz RVROLQPNDKVJTG-UHFFFAOYSA-N 2 1 344.503 2.081 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105396751 781941622 /nfs/dbraw/zinc/94/16/22/781941622.db2.gz UWTVTDHJJWFIAO-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396751 781941630 /nfs/dbraw/zinc/94/16/30/781941630.db2.gz UWTVTDHJJWFIAO-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396751 781941636 /nfs/dbraw/zinc/94/16/36/781941636.db2.gz UWTVTDHJJWFIAO-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528390772 268302737 /nfs/dbraw/zinc/30/27/37/268302737.db2.gz PBDNPAASSITKJW-IEBWSBKVSA-N 2 1 343.471 2.106 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528390772 268302739 /nfs/dbraw/zinc/30/27/39/268302739.db2.gz PBDNPAASSITKJW-IEBWSBKVSA-N 2 1 343.471 2.106 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C#N)c1C ZINC000338121109 279302955 /nfs/dbraw/zinc/30/29/55/279302955.db2.gz PLGIMDFNIGHDMG-GOSISDBHSA-N 2 1 342.487 2.355 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000296699386 465230294 /nfs/dbraw/zinc/23/02/94/465230294.db2.gz YYOWFHXYKCTSIJ-IBGZPJMESA-N 2 1 342.487 2.078 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000329154547 465250563 /nfs/dbraw/zinc/25/05/63/465250563.db2.gz UTNJNIHSPDETJI-NVXWUHKLSA-N 2 1 345.491 2.284 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1n1ccnc1 ZINC000329178891 465258424 /nfs/dbraw/zinc/25/84/24/465258424.db2.gz MLUOHJLNBATJPY-CRAIPNDOSA-N 3 1 345.491 2.349 20 30 EEEDMP C[C@@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1n1ccnc1 ZINC000329178891 465258429 /nfs/dbraw/zinc/25/84/29/465258429.db2.gz MLUOHJLNBATJPY-CRAIPNDOSA-N 3 1 345.491 2.349 20 30 EEEDMP C#CCNC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000491202836 468320889 /nfs/dbraw/zinc/32/08/89/468320889.db2.gz QGRKAFHQEZXXPW-OAQYLSRUSA-N 2 1 339.483 2.114 20 30 EEEDMP C#CCNC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000491202836 468320896 /nfs/dbraw/zinc/32/08/96/468320896.db2.gz QGRKAFHQEZXXPW-OAQYLSRUSA-N 2 1 339.483 2.114 20 30 EEEDMP C#CCNC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000491202836 468320901 /nfs/dbraw/zinc/32/09/01/468320901.db2.gz QGRKAFHQEZXXPW-OAQYLSRUSA-N 2 1 339.483 2.114 20 30 EEEDMP C#CCNC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000491202835 468321239 /nfs/dbraw/zinc/32/12/39/468321239.db2.gz QGRKAFHQEZXXPW-NRFANRHFSA-N 2 1 339.483 2.114 20 30 EEEDMP C#CCNC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000491202835 468321242 /nfs/dbraw/zinc/32/12/42/468321242.db2.gz QGRKAFHQEZXXPW-NRFANRHFSA-N 2 1 339.483 2.114 20 30 EEEDMP C#CCNC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000491202835 468321244 /nfs/dbraw/zinc/32/12/44/468321244.db2.gz QGRKAFHQEZXXPW-NRFANRHFSA-N 2 1 339.483 2.114 20 30 EEEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000268953792 463822988 /nfs/dbraw/zinc/82/29/88/463822988.db2.gz FQHZJVKNJZIKES-OALUTQOASA-N 2 1 328.456 2.166 20 30 EEEDMP Cc1[nH+]ccn1CCCO/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000271205520 464288693 /nfs/dbraw/zinc/28/86/93/464288693.db2.gz JYFXSXCXSWRWLR-HMMYKYKNSA-N 2 1 328.416 2.469 20 30 EEEDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OCC#N)cc1 ZINC000181704424 464522552 /nfs/dbraw/zinc/52/25/52/464522552.db2.gz DQOOBKXYVOXFMV-QGZVFWFLSA-N 2 1 330.476 2.267 20 30 EEEDMP C=CCN1CC[C@@H]([N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000281927942 464637369 /nfs/dbraw/zinc/63/73/69/464637369.db2.gz HVAQEKCFQPQHQC-LJQANCHMSA-N 2 1 342.487 2.407 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000330003770 465503276 /nfs/dbraw/zinc/50/32/76/465503276.db2.gz ANOXKFIKEHKZBX-CQSZACIVSA-N 2 1 342.447 2.012 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000330003770 465503282 /nfs/dbraw/zinc/50/32/82/465503282.db2.gz ANOXKFIKEHKZBX-CQSZACIVSA-N 2 1 342.447 2.012 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360954976 465660532 /nfs/dbraw/zinc/66/05/32/465660532.db2.gz ANSMAUXUQAXKCV-SQNIBIBYSA-N 2 1 336.524 2.485 20 30 EEEDMP C=CCn1cc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)nn1 ZINC000424292781 467023967 /nfs/dbraw/zinc/02/39/67/467023967.db2.gz HIELHEGXETUJAZ-HNNXBMFYSA-N 2 1 329.448 2.255 20 30 EEEDMP C=CCN1CC[C@@H]([N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)C1=O ZINC000420302843 467345008 /nfs/dbraw/zinc/34/50/08/467345008.db2.gz CDAIUDSASLVMTQ-IAGOWNOFSA-N 2 1 345.512 2.479 20 30 EEEDMP C=CCN1CC[C@@H]([N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)C1=O ZINC000420302843 467345013 /nfs/dbraw/zinc/34/50/13/467345013.db2.gz CDAIUDSASLVMTQ-IAGOWNOFSA-N 2 1 345.512 2.479 20 30 EEEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583508552 468708263 /nfs/dbraw/zinc/70/82/63/468708263.db2.gz NNCPJFVJQUSLAP-LJQANCHMSA-N 2 1 342.487 2.202 20 30 EEEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000740737450 578106459 /nfs/dbraw/zinc/10/64/59/578106459.db2.gz NOHCMJNFVPDDQH-IBGZPJMESA-N 2 1 327.472 2.283 20 30 EEEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461206 675911014 /nfs/dbraw/zinc/91/10/14/675911014.db2.gz ZIBWWSJTVHBSAL-DBVUQKKJSA-N 2 1 341.499 2.344 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001021091452 675716915 /nfs/dbraw/zinc/71/69/15/675716915.db2.gz VYXRDONZPWBCJG-ZNZJMJLKSA-N 2 1 340.471 2.168 20 30 EEEDMP C=C(Cl)CN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319241 675788006 /nfs/dbraw/zinc/78/80/06/675788006.db2.gz SEACAOGCMVBXCJ-CABCVRRESA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCC=C)CC[C@H]32)CC1 ZINC001021738669 676396658 /nfs/dbraw/zinc/39/66/58/676396658.db2.gz CNTWMWNLNNDCCI-VQTJNVASSA-N 2 1 343.515 2.221 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)CCC1 ZINC000971675901 676733129 /nfs/dbraw/zinc/73/31/29/676733129.db2.gz BZUCVHPIVXJQHC-SFHVURJKSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001022220962 676742524 /nfs/dbraw/zinc/74/25/24/676742524.db2.gz UVKDWTLEDRSMNS-ZCNNSNEGSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001022220962 676742526 /nfs/dbraw/zinc/74/25/26/676742526.db2.gz UVKDWTLEDRSMNS-ZCNNSNEGSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371450 679277534 /nfs/dbraw/zinc/27/75/34/679277534.db2.gz ZZHBKFYCXLGAKZ-RBUKOAKNSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023371450 679277537 /nfs/dbraw/zinc/27/75/37/679277537.db2.gz ZZHBKFYCXLGAKZ-RBUKOAKNSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023371450 679277540 /nfs/dbraw/zinc/27/75/40/679277540.db2.gz ZZHBKFYCXLGAKZ-RBUKOAKNSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000972583495 679353005 /nfs/dbraw/zinc/35/30/05/679353005.db2.gz WBTGQQHYEHGAAJ-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696401 679486891 /nfs/dbraw/zinc/48/68/91/679486891.db2.gz MFUQEFKOWFGRAN-RBUKOAKNSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023696401 679486895 /nfs/dbraw/zinc/48/68/95/679486895.db2.gz MFUQEFKOWFGRAN-RBUKOAKNSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023696401 679486897 /nfs/dbraw/zinc/48/68/97/679486897.db2.gz MFUQEFKOWFGRAN-RBUKOAKNSA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(Cl)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448821 679909636 /nfs/dbraw/zinc/90/96/36/679909636.db2.gz ZJQQYNFDONYSSY-OWCLPIDISA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982834350 681357038 /nfs/dbraw/zinc/35/70/38/681357038.db2.gz XJBDYIWLRLLEDP-SESVDKBCSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982834350 681357042 /nfs/dbraw/zinc/35/70/42/681357042.db2.gz XJBDYIWLRLLEDP-SESVDKBCSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982834339 681357325 /nfs/dbraw/zinc/35/73/25/681357325.db2.gz WYIZLUWXMMHAQC-NRSPTQNISA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025245058 682323959 /nfs/dbraw/zinc/32/39/59/682323959.db2.gz ZJIGHCILSVGNON-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258048 682336253 /nfs/dbraw/zinc/33/62/53/682336253.db2.gz CHBYXQGETCWWDY-ROUUACIJSA-N 2 1 343.471 2.434 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC000992774121 683432584 /nfs/dbraw/zinc/43/25/84/683432584.db2.gz SMDANJMGTSUNLX-OWCLPIDISA-N 2 1 336.867 2.161 20 30 EEEDMP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001026370231 684465661 /nfs/dbraw/zinc/46/56/61/684465661.db2.gz QWWVJAAQARSIKB-GVDBMIGSSA-N 2 1 330.476 2.409 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001026464492 684677791 /nfs/dbraw/zinc/67/77/91/684677791.db2.gz JCWJHRXCNWXKKE-ACBHZAAOSA-N 2 1 340.471 2.169 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681616 693962011 /nfs/dbraw/zinc/96/20/11/693962011.db2.gz ZHRZWEGYMYVTMU-IBGZPJMESA-N 2 1 340.471 2.077 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001027470079 692261057 /nfs/dbraw/zinc/26/10/57/692261057.db2.gz IGSHNGPSDXOIRB-HOTGVXAUSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027470079 692261060 /nfs/dbraw/zinc/26/10/60/692261060.db2.gz IGSHNGPSDXOIRB-HOTGVXAUSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027470079 692261063 /nfs/dbraw/zinc/26/10/63/692261063.db2.gz IGSHNGPSDXOIRB-HOTGVXAUSA-N 2 1 330.476 2.322 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977646220 692875976 /nfs/dbraw/zinc/87/59/76/692875976.db2.gz WBZDIYDQHUOUNC-SFHVURJKSA-N 2 1 327.472 2.212 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)Cc1cccc(C#N)c1 ZINC001480979245 1179415755 /nfs/dbraw/zinc/41/57/55/1179415755.db2.gz BLCBJQQGMNDQOO-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001482058978 1183266720 /nfs/dbraw/zinc/26/67/20/1183266720.db2.gz UUAYEWLNCPNFKA-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991066288 1189805293 /nfs/dbraw/zinc/80/52/93/1189805293.db2.gz IDECMQPTUSWBRR-GPMSIDNRSA-N 2 1 328.460 2.450 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991066288 1189805303 /nfs/dbraw/zinc/80/53/03/1189805303.db2.gz IDECMQPTUSWBRR-GPMSIDNRSA-N 2 1 328.460 2.450 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C ZINC001483916157 1191115582 /nfs/dbraw/zinc/11/55/82/1191115582.db2.gz MCIBQPHQGQXJPP-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417282 1194538994 /nfs/dbraw/zinc/53/89/94/1194538994.db2.gz VVAUXJCSRFGKHU-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033417282 1194538995 /nfs/dbraw/zinc/53/89/95/1194538995.db2.gz VVAUXJCSRFGKHU-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033417282 1194538998 /nfs/dbraw/zinc/53/89/98/1194538998.db2.gz VVAUXJCSRFGKHU-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001005179919 1194668476 /nfs/dbraw/zinc/66/84/76/1194668476.db2.gz OZQZIZPPKVCUHW-QGZVFWFLSA-N 2 1 346.500 2.137 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033881426 1195437417 /nfs/dbraw/zinc/43/74/17/1195437417.db2.gz RAWUPYCAKJMIIC-CVEARBPZSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033881426 1195437420 /nfs/dbraw/zinc/43/74/20/1195437420.db2.gz RAWUPYCAKJMIIC-CVEARBPZSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115362 1195758079 /nfs/dbraw/zinc/75/80/79/1195758079.db2.gz OMQJUZDOYFTPOI-IBGZPJMESA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132140548 1199349758 /nfs/dbraw/zinc/34/97/58/1199349758.db2.gz IWRBZYLAMPCUCL-DLBZAZTESA-N 2 1 330.476 2.453 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132311802 1199562723 /nfs/dbraw/zinc/56/27/23/1199562723.db2.gz YJOLWTJHZULLBN-MJGOQNOKSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132311802 1199562726 /nfs/dbraw/zinc/56/27/26/1199562726.db2.gz YJOLWTJHZULLBN-MJGOQNOKSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132311802 1199562729 /nfs/dbraw/zinc/56/27/29/1199562729.db2.gz YJOLWTJHZULLBN-MJGOQNOKSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132311802 1199562733 /nfs/dbraw/zinc/56/27/33/1199562733.db2.gz YJOLWTJHZULLBN-MJGOQNOKSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406512 1199665150 /nfs/dbraw/zinc/66/51/50/1199665150.db2.gz KIRAZUWGPMIKMO-IAGOWNOFSA-N 2 1 337.508 2.033 20 30 EEEDMP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134613936 1199690600 /nfs/dbraw/zinc/69/06/00/1199690600.db2.gz YYGYXYQCQFHXHS-HZPDHXFCSA-N 2 1 342.487 2.415 20 30 EEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000876735587 1199747758 /nfs/dbraw/zinc/74/77/58/1199747758.db2.gz GHMZOFNVGIMCKF-CQSZACIVSA-N 2 1 336.798 2.406 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000884077284 1202225830 /nfs/dbraw/zinc/22/58/30/1202225830.db2.gz HBFPRYAVNQMSMG-MSOLQXFVSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000884077284 1202225831 /nfs/dbraw/zinc/22/58/31/1202225831.db2.gz HBFPRYAVNQMSMG-MSOLQXFVSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000884077284 1202225832 /nfs/dbraw/zinc/22/58/32/1202225832.db2.gz HBFPRYAVNQMSMG-MSOLQXFVSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000884077284 1202225833 /nfs/dbraw/zinc/22/58/33/1202225833.db2.gz HBFPRYAVNQMSMG-MSOLQXFVSA-N 2 1 334.508 2.038 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131049 1204212170 /nfs/dbraw/zinc/21/21/70/1204212170.db2.gz PZLRBOOUNCBSME-SJORKVTESA-N 2 1 328.460 2.181 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131049 1204212172 /nfs/dbraw/zinc/21/21/72/1204212172.db2.gz PZLRBOOUNCBSME-SJORKVTESA-N 2 1 328.460 2.181 20 30 EEEDMP C=CCOCC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202758147 1204295353 /nfs/dbraw/zinc/29/53/53/1204295353.db2.gz WJUKJBCYCYQYGN-UHFFFAOYSA-N 2 1 348.491 2.180 20 30 EEEDMP C#CCN1CC2(CCC1=O)CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001274110987 1204378055 /nfs/dbraw/zinc/37/80/55/1204378055.db2.gz QONZOUIRLFVXRR-UHFFFAOYSA-N 2 1 336.439 2.172 20 30 EEEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)s1 ZINC001274746081 1205151339 /nfs/dbraw/zinc/15/13/39/1205151339.db2.gz KFJIKGYPHNOJDK-GOSISDBHSA-N 2 1 346.500 2.138 20 30 EEEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)s1 ZINC001274746081 1205151342 /nfs/dbraw/zinc/15/13/42/1205151342.db2.gz KFJIKGYPHNOJDK-GOSISDBHSA-N 2 1 346.500 2.138 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947362848 1208546712 /nfs/dbraw/zinc/54/67/12/1208546712.db2.gz ZMLYZEUWQIXOFM-GOEBONIOSA-N 2 1 333.501 2.416 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947780103 1208713351 /nfs/dbraw/zinc/71/33/51/1208713351.db2.gz VSKNKZTUKQQPGW-GOEBONIOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947780103 1208713354 /nfs/dbraw/zinc/71/33/54/1208713354.db2.gz VSKNKZTUKQQPGW-GOEBONIOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947857212 1208747877 /nfs/dbraw/zinc/74/78/77/1208747877.db2.gz INQIQUMJVIUGIS-GOEBONIOSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947857212 1208747878 /nfs/dbraw/zinc/74/78/78/1208747878.db2.gz INQIQUMJVIUGIS-GOEBONIOSA-N 2 1 325.416 2.036 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC#Cc1ccccc1 ZINC000948039479 1208834199 /nfs/dbraw/zinc/83/41/99/1208834199.db2.gz HMPXZDDDNBDQHK-UYAOXDASSA-N 2 1 339.483 2.103 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948385009 1209105132 /nfs/dbraw/zinc/10/51/32/1209105132.db2.gz HCVYTLJMRBOXJR-BZUAXINKSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948385009 1209105134 /nfs/dbraw/zinc/10/51/34/1209105134.db2.gz HCVYTLJMRBOXJR-BZUAXINKSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948385009 1209105137 /nfs/dbraw/zinc/10/51/37/1209105137.db2.gz HCVYTLJMRBOXJR-BZUAXINKSA-N 2 1 327.900 2.392 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000948389869 1209108084 /nfs/dbraw/zinc/10/80/84/1209108084.db2.gz ZNBQUPVCVYZUOY-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000948389869 1209108086 /nfs/dbraw/zinc/10/80/86/1209108086.db2.gz ZNBQUPVCVYZUOY-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000948389869 1209108088 /nfs/dbraw/zinc/10/80/88/1209108088.db2.gz ZNBQUPVCVYZUOY-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000948389869 1209108089 /nfs/dbraw/zinc/10/80/89/1209108089.db2.gz ZNBQUPVCVYZUOY-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961233208 1217100673 /nfs/dbraw/zinc/10/06/73/1217100673.db2.gz UTVSOAVFBLSZDU-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961370819 1217161847 /nfs/dbraw/zinc/16/18/47/1217161847.db2.gz DLDXIPSXMGFZAY-MISYRCLQSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961370819 1217161850 /nfs/dbraw/zinc/16/18/50/1217161850.db2.gz DLDXIPSXMGFZAY-MISYRCLQSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961370819 1217161852 /nfs/dbraw/zinc/16/18/52/1217161852.db2.gz DLDXIPSXMGFZAY-MISYRCLQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961431865 1217187791 /nfs/dbraw/zinc/18/77/91/1217187791.db2.gz OINHWEBARDZJIT-IBGZPJMESA-N 2 1 343.515 2.056 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000961434858 1217188938 /nfs/dbraw/zinc/18/89/38/1217188938.db2.gz IVKCWZHPROJDEX-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434858 1217188940 /nfs/dbraw/zinc/18/89/40/1217188940.db2.gz IVKCWZHPROJDEX-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434858 1217188943 /nfs/dbraw/zinc/18/89/43/1217188943.db2.gz IVKCWZHPROJDEX-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963368402 1217565549 /nfs/dbraw/zinc/56/55/49/1217565549.db2.gz WFWOVJDAPGKKNN-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401591 1220483585 /nfs/dbraw/zinc/48/35/85/1220483585.db2.gz DRWRWAGYQQMNOZ-DOTOQJQBSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401591 1220483586 /nfs/dbraw/zinc/48/35/86/1220483586.db2.gz DRWRWAGYQQMNOZ-DOTOQJQBSA-N 2 1 330.476 2.165 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277602 1222730882 /nfs/dbraw/zinc/73/08/82/1222730882.db2.gz SZRQNPXEQGGTJP-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277602 1222730887 /nfs/dbraw/zinc/73/08/87/1222730887.db2.gz SZRQNPXEQGGTJP-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008277602 1222730889 /nfs/dbraw/zinc/73/08/89/1222730889.db2.gz SZRQNPXEQGGTJP-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008277602 1222730893 /nfs/dbraw/zinc/73/08/93/1222730893.db2.gz SZRQNPXEQGGTJP-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008337366 1222770156 /nfs/dbraw/zinc/77/01/56/1222770156.db2.gz DLYZPCRKEVULEO-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008337366 1222770158 /nfs/dbraw/zinc/77/01/58/1222770158.db2.gz DLYZPCRKEVULEO-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039133392 1230344406 /nfs/dbraw/zinc/34/44/06/1230344406.db2.gz GVFIXZHPFVIHQC-LJQANCHMSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC[C@H](C)F)CC1 ZINC001040014158 1230964089 /nfs/dbraw/zinc/96/40/89/1230964089.db2.gz FJGZYTFWBXSRNP-YTQUADARSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC001040245065 1231129761 /nfs/dbraw/zinc/12/97/61/1231129761.db2.gz QGVWAURXQWHAMR-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC001040245065 1231129762 /nfs/dbraw/zinc/12/97/62/1231129762.db2.gz QGVWAURXQWHAMR-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001040245065 1231129763 /nfs/dbraw/zinc/12/97/63/1231129763.db2.gz QGVWAURXQWHAMR-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001040245065 1231129765 /nfs/dbraw/zinc/12/97/65/1231129765.db2.gz QGVWAURXQWHAMR-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C/C=C\Cl)C2 ZINC001040244820 1231129899 /nfs/dbraw/zinc/12/98/99/1231129899.db2.gz OESFOQNXJVLSFX-MJAXPIHCSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C/C=C\Cl)C2 ZINC001040244820 1231129900 /nfs/dbraw/zinc/12/99/00/1231129900.db2.gz OESFOQNXJVLSFX-MJAXPIHCSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C/C=C\Cl)C2 ZINC001040244820 1231129903 /nfs/dbraw/zinc/12/99/03/1231129903.db2.gz OESFOQNXJVLSFX-MJAXPIHCSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C/C=C\Cl)C2 ZINC001040244820 1231129904 /nfs/dbraw/zinc/12/99/04/1231129904.db2.gz OESFOQNXJVLSFX-MJAXPIHCSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545596 1231286343 /nfs/dbraw/zinc/28/63/43/1231286343.db2.gz RQAJFGQQKCSJEE-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040722656 1231348613 /nfs/dbraw/zinc/34/86/13/1231348613.db2.gz CARAJHMCBGSVDX-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356827 1231518062 /nfs/dbraw/zinc/51/80/62/1231518062.db2.gz BMCXJQMKXFSKRU-DOTOQJQBSA-N 2 1 325.884 2.004 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505771 1231571677 /nfs/dbraw/zinc/57/16/77/1231571677.db2.gz MUJQBVKEYONLSC-AZUAARDMSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041586073 1231609907 /nfs/dbraw/zinc/60/99/07/1231609907.db2.gz HVXYJRQDEPNMLT-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586073 1231609909 /nfs/dbraw/zinc/60/99/09/1231609909.db2.gz HVXYJRQDEPNMLT-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586073 1231609912 /nfs/dbraw/zinc/60/99/12/1231609912.db2.gz HVXYJRQDEPNMLT-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042112466 1231897478 /nfs/dbraw/zinc/89/74/78/1231897478.db2.gz RJSCJKADZFXVKP-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042369660 1232050857 /nfs/dbraw/zinc/05/08/57/1232050857.db2.gz ZSBQUERLZZMATF-FXAWDEMLSA-N 2 1 339.483 2.308 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001045092660 1233497578 /nfs/dbraw/zinc/49/75/78/1233497578.db2.gz COWBWNLYPJQGQG-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001045482150 1233769613 /nfs/dbraw/zinc/76/96/13/1233769613.db2.gz FPGIKDCBKFFBCR-UHFFFAOYSA-N 2 1 334.464 2.287 20 30 EEEDMP C=CCC[NH+]1CCC(C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001045557132 1233815681 /nfs/dbraw/zinc/81/56/81/1233815681.db2.gz VIIPMHRDTQLQGV-UHFFFAOYSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044574 1233965063 /nfs/dbraw/zinc/96/50/63/1233965063.db2.gz UAVCTLQITMITIG-SLHNCBLASA-N 2 1 339.483 2.239 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044574 1233965066 /nfs/dbraw/zinc/96/50/66/1233965066.db2.gz UAVCTLQITMITIG-SLHNCBLASA-N 2 1 339.483 2.239 20 30 EEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044574 1233965069 /nfs/dbraw/zinc/96/50/69/1233965069.db2.gz UAVCTLQITMITIG-SLHNCBLASA-N 2 1 339.483 2.239 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986074 1234281917 /nfs/dbraw/zinc/28/19/17/1234281917.db2.gz GRHNTRXORILWDG-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCC)C3)CC1 ZINC001047209190 1235672596 /nfs/dbraw/zinc/67/25/96/1235672596.db2.gz QYOWNJYKHGFRNX-UHOSZYNNSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047258110 1235763796 /nfs/dbraw/zinc/76/37/96/1235763796.db2.gz XHZNAGSXXQWOCY-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001048582896 1238022286 /nfs/dbraw/zinc/02/22/86/1238022286.db2.gz XVTUCTUZSZGOED-MUJYYYPQSA-N 2 1 337.895 2.194 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048819533 1238735983 /nfs/dbraw/zinc/73/59/83/1238735983.db2.gz UUKIFVOXUUOMFI-NCOADZHNSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048819533 1238735993 /nfs/dbraw/zinc/73/59/93/1238735993.db2.gz UUKIFVOXUUOMFI-NCOADZHNSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048819533 1238736006 /nfs/dbraw/zinc/73/60/06/1238736006.db2.gz UUKIFVOXUUOMFI-NCOADZHNSA-N 2 1 337.895 2.004 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC3CCC3)C[C@@H]2C1 ZINC001048870329 1239095672 /nfs/dbraw/zinc/09/56/72/1239095672.db2.gz YLRKAGMTELLILU-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC3CCC3)C[C@@H]2C1 ZINC001048870329 1239095678 /nfs/dbraw/zinc/09/56/78/1239095678.db2.gz YLRKAGMTELLILU-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001048870329 1239095692 /nfs/dbraw/zinc/09/56/92/1239095692.db2.gz YLRKAGMTELLILU-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001048870329 1239095703 /nfs/dbraw/zinc/09/57/03/1239095703.db2.gz YLRKAGMTELLILU-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172235 1240177546 /nfs/dbraw/zinc/17/75/46/1240177546.db2.gz VKDHABNYJIRKBN-YRXWBPOGSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049678459 1241853910 /nfs/dbraw/zinc/85/39/10/1241853910.db2.gz ZPRHLXVQOQPYIF-IRXDYDNUSA-N 2 1 329.444 2.043 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049678459 1241853915 /nfs/dbraw/zinc/85/39/15/1241853915.db2.gz ZPRHLXVQOQPYIF-IRXDYDNUSA-N 2 1 329.444 2.043 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049717001 1241978310 /nfs/dbraw/zinc/97/83/10/1241978310.db2.gz BYUGJPWXVXNHHN-QKLQHJQFSA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001049717001 1241978316 /nfs/dbraw/zinc/97/83/16/1241978316.db2.gz BYUGJPWXVXNHHN-QKLQHJQFSA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001049717001 1241978326 /nfs/dbraw/zinc/97/83/26/1241978326.db2.gz BYUGJPWXVXNHHN-QKLQHJQFSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCC2)CC1 ZINC001096605251 1242779377 /nfs/dbraw/zinc/77/93/77/1242779377.db2.gz GNGVCXOVKCGFSI-AABGKKOBSA-N 2 1 343.515 2.243 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001096643754 1243034860 /nfs/dbraw/zinc/03/48/60/1243034860.db2.gz QRAZVTMMJGYKMC-NJAFHUGGSA-N 2 1 343.471 2.480 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517876 1243770248 /nfs/dbraw/zinc/77/02/48/1243770248.db2.gz IXFWTAWDGWYJAQ-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CC(C)C1)CC2 ZINC001050551259 1243831664 /nfs/dbraw/zinc/83/16/64/1243831664.db2.gz UJDRSBZYFSWSPE-ACBHZAAOSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CC(C)C1)CC2 ZINC001050551259 1243831677 /nfs/dbraw/zinc/83/16/77/1243831677.db2.gz UJDRSBZYFSWSPE-ACBHZAAOSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)CC1 ZINC001050634617 1244001257 /nfs/dbraw/zinc/00/12/57/1244001257.db2.gz DTWCCGIGCKGXJM-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)CC1 ZINC001050663419 1244075268 /nfs/dbraw/zinc/07/52/68/1244075268.db2.gz UHNNMJMBCXVZLO-LJQANCHMSA-N 2 1 337.483 2.309 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053052244 1245777556 /nfs/dbraw/zinc/77/75/56/1245777556.db2.gz STEBUPATQVTGBL-RBUKOAKNSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105204 1245920108 /nfs/dbraw/zinc/92/01/08/1245920108.db2.gz MSHVPPAJTYHDJG-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448420 1247311979 /nfs/dbraw/zinc/31/19/79/1247311979.db2.gz ZEHUOAHOTIZCCR-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448420 1247311990 /nfs/dbraw/zinc/31/19/90/1247311990.db2.gz ZEHUOAHOTIZCCR-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448420 1247311998 /nfs/dbraw/zinc/31/19/98/1247311998.db2.gz ZEHUOAHOTIZCCR-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527256 1247489324 /nfs/dbraw/zinc/48/93/24/1247489324.db2.gz VFBPGLRGGVKWFZ-HNNXBMFYSA-N 2 1 325.884 2.338 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001054146781 1247523749 /nfs/dbraw/zinc/52/37/49/1247523749.db2.gz IPBFVYXEUUWVSB-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054146781 1247523757 /nfs/dbraw/zinc/52/37/57/1247523757.db2.gz IPBFVYXEUUWVSB-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054146781 1247523766 /nfs/dbraw/zinc/52/37/66/1247523766.db2.gz IPBFVYXEUUWVSB-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054222880 1247762412 /nfs/dbraw/zinc/76/24/12/1247762412.db2.gz KUZHJDMRNFSNQP-NRFANRHFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071676555 1254495781 /nfs/dbraw/zinc/49/57/81/1254495781.db2.gz MVACXSUICREYSK-HUUCEWRRSA-N 2 1 325.416 2.036 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001071689617 1254516078 /nfs/dbraw/zinc/51/60/78/1254516078.db2.gz NINVHNSBJDUQOC-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001071689617 1254516084 /nfs/dbraw/zinc/51/60/84/1254516084.db2.gz NINVHNSBJDUQOC-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098460863 1257698105 /nfs/dbraw/zinc/69/81/05/1257698105.db2.gz LMOJPMPRGFEGPC-QRQLOZEOSA-N 2 1 325.456 2.107 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098460863 1257698108 /nfs/dbraw/zinc/69/81/08/1257698108.db2.gz LMOJPMPRGFEGPC-QRQLOZEOSA-N 2 1 325.456 2.107 20 30 EEEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001099527947 1258192115 /nfs/dbraw/zinc/19/21/15/1258192115.db2.gz FGOYMNISOGMPSA-MLHJIOFPSA-N 2 1 333.520 2.319 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099527947 1258192120 /nfs/dbraw/zinc/19/21/20/1258192120.db2.gz FGOYMNISOGMPSA-MLHJIOFPSA-N 2 1 333.520 2.319 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099527947 1258192121 /nfs/dbraw/zinc/19/21/21/1258192121.db2.gz FGOYMNISOGMPSA-MLHJIOFPSA-N 2 1 333.520 2.319 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203633517 1278989466 /nfs/dbraw/zinc/98/94/66/1278989466.db2.gz YDRLUOUBNMRAOO-LSDHHAIUSA-N 2 1 327.900 2.488 20 30 EEEDMP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191069676 1281198464 /nfs/dbraw/zinc/19/84/64/1281198464.db2.gz JRQMBVPFUWKAEN-GJZGRUSLSA-N 2 1 334.464 2.237 20 30 EEEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191069676 1281198469 /nfs/dbraw/zinc/19/84/69/1281198469.db2.gz JRQMBVPFUWKAEN-GJZGRUSLSA-N 2 1 334.464 2.237 20 30 EEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001192407198 1281976803 /nfs/dbraw/zinc/97/68/03/1281976803.db2.gz SFJRIMZGGBJMAZ-LJQANCHMSA-N 2 1 329.488 2.270 20 30 EEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192407198 1281976804 /nfs/dbraw/zinc/97/68/04/1281976804.db2.gz SFJRIMZGGBJMAZ-LJQANCHMSA-N 2 1 329.488 2.270 20 30 EEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192407198 1281976805 /nfs/dbraw/zinc/97/68/05/1281976805.db2.gz SFJRIMZGGBJMAZ-LJQANCHMSA-N 2 1 329.488 2.270 20 30 EEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193400618 1282484531 /nfs/dbraw/zinc/48/45/31/1282484531.db2.gz ZQOYLFTYQBYZNQ-AZUAARDMSA-N 2 1 327.472 2.019 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)CCC=C)C2)CC1 ZINC001194245550 1282955928 /nfs/dbraw/zinc/95/59/28/1282955928.db2.gz CBJVBBCJNXLMRN-IEBWSBKVSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCC(C)(C)C)C2)CC1 ZINC001194246705 1282955952 /nfs/dbraw/zinc/95/59/52/1282955952.db2.gz QIWNXLQGEKAJIA-SFHVURJKSA-N 2 1 333.520 2.301 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)C1 ZINC001194286282 1282981138 /nfs/dbraw/zinc/98/11/38/1282981138.db2.gz YENAPSYIBCGISC-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)C1 ZINC001194286282 1282981142 /nfs/dbraw/zinc/98/11/42/1282981142.db2.gz YENAPSYIBCGISC-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001194286282 1282981144 /nfs/dbraw/zinc/98/11/44/1282981144.db2.gz YENAPSYIBCGISC-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001194286282 1282981148 /nfs/dbraw/zinc/98/11/48/1282981148.db2.gz YENAPSYIBCGISC-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP C=CCCC[N@@H+]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001197157927 1284486079 /nfs/dbraw/zinc/48/60/79/1284486079.db2.gz ACSXHZWDHHUJPT-UHFFFAOYSA-N 2 1 346.475 2.385 20 30 EEEDMP C=CCCC[N@H+]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001197157927 1284486086 /nfs/dbraw/zinc/48/60/86/1284486086.db2.gz ACSXHZWDHHUJPT-UHFFFAOYSA-N 2 1 346.475 2.385 20 30 EEEDMP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214845 1294351065 /nfs/dbraw/zinc/35/10/65/1294351065.db2.gz UNUSHCJMKDVGBC-IBGZPJMESA-N 2 1 330.476 2.234 20 30 EEEDMP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214845 1294351075 /nfs/dbraw/zinc/35/10/75/1294351075.db2.gz UNUSHCJMKDVGBC-IBGZPJMESA-N 2 1 330.476 2.234 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](OC)C1 ZINC001213931648 1296225152 /nfs/dbraw/zinc/22/51/52/1296225152.db2.gz NDSNWECEWBSEPG-GUDVDZBRSA-N 2 1 345.487 2.071 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](OC)C1 ZINC001213931648 1296225158 /nfs/dbraw/zinc/22/51/58/1296225158.db2.gz NDSNWECEWBSEPG-GUDVDZBRSA-N 2 1 345.487 2.071 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599702 1297293892 /nfs/dbraw/zinc/29/38/92/1297293892.db2.gz LHTPOVCFKLBTFQ-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599702 1297293901 /nfs/dbraw/zinc/29/39/01/1297293901.db2.gz LHTPOVCFKLBTFQ-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599702 1297293911 /nfs/dbraw/zinc/29/39/11/1297293911.db2.gz LHTPOVCFKLBTFQ-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@](C)(CO[C@@H]2C[NH2+]C[C@H]2C#N)O1 ZINC001217831040 1297518934 /nfs/dbraw/zinc/51/89/34/1297518934.db2.gz IRBXIEDEEHUZDF-QWFCFKBJSA-N 2 1 343.471 2.184 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@@H]21 ZINC001223039546 1299960810 /nfs/dbraw/zinc/96/08/10/1299960810.db2.gz KHUJJXNZCPQCNR-MJGOQNOKSA-N 2 1 342.487 2.407 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001102371850 1300950242 /nfs/dbraw/zinc/95/02/42/1300950242.db2.gz YJUDGINEDLFGKI-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001102371850 1300950245 /nfs/dbraw/zinc/95/02/45/1300950245.db2.gz YJUDGINEDLFGKI-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H](C)C1 ZINC001102508959 1301163054 /nfs/dbraw/zinc/16/30/54/1301163054.db2.gz NGEFNNAMWJMMHE-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H](C)C1 ZINC001102508959 1301163057 /nfs/dbraw/zinc/16/30/57/1301163057.db2.gz NGEFNNAMWJMMHE-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H](C)C1 ZINC001102508959 1301163061 /nfs/dbraw/zinc/16/30/61/1301163061.db2.gz NGEFNNAMWJMMHE-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228854510 1302484387 /nfs/dbraw/zinc/48/43/87/1302484387.db2.gz ZIGFLFLTNKVYJB-IAGOWNOFSA-N 2 1 348.491 2.226 20 30 EEEDMP CC#CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230016523 1303020016 /nfs/dbraw/zinc/02/00/16/1303020016.db2.gz PMIHAVFPLCBCKW-IBGZPJMESA-N 2 1 327.472 2.283 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591671 1303299038 /nfs/dbraw/zinc/29/90/38/1303299038.db2.gz GHYDUPZXPCWVNQ-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112021318 1304167574 /nfs/dbraw/zinc/16/75/74/1304167574.db2.gz GSQXEWUKYORMQY-FPOVZHCZSA-N 2 1 339.483 2.112 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112021318 1304167581 /nfs/dbraw/zinc/16/75/81/1304167581.db2.gz GSQXEWUKYORMQY-FPOVZHCZSA-N 2 1 339.483 2.112 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001112021318 1304167585 /nfs/dbraw/zinc/16/75/85/1304167585.db2.gz GSQXEWUKYORMQY-FPOVZHCZSA-N 2 1 339.483 2.112 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001112021318 1304167588 /nfs/dbraw/zinc/16/75/88/1304167588.db2.gz GSQXEWUKYORMQY-FPOVZHCZSA-N 2 1 339.483 2.112 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C(F)(F)F ZINC001112213127 1304339855 /nfs/dbraw/zinc/33/98/55/1304339855.db2.gz GAOYZWAMIVLNBR-RBSFLKMASA-N 2 1 347.425 2.416 20 30 EEEDMP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001121595626 1310063706 /nfs/dbraw/zinc/06/37/06/1310063706.db2.gz UIUXWIWHSSVQFF-ZACQAIPSSA-N 2 1 346.523 2.192 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001121595626 1310063713 /nfs/dbraw/zinc/06/37/13/1310063713.db2.gz UIUXWIWHSSVQFF-ZACQAIPSSA-N 2 1 346.523 2.192 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001121595626 1310063720 /nfs/dbraw/zinc/06/37/20/1310063720.db2.gz UIUXWIWHSSVQFF-ZACQAIPSSA-N 2 1 346.523 2.192 20 30 EEEDMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@@H+]([C@@H](C)CCCC#N)C2 ZINC001246667543 1310376408 /nfs/dbraw/zinc/37/64/08/1310376408.db2.gz GYAGUQBBUNHJIX-NWANDNLSSA-N 2 1 347.381 2.086 20 30 EEEDMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@H+]([C@@H](C)CCCC#N)C2 ZINC001246667543 1310376417 /nfs/dbraw/zinc/37/64/17/1310376417.db2.gz GYAGUQBBUNHJIX-NWANDNLSSA-N 2 1 347.381 2.086 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150395675 1316256927 /nfs/dbraw/zinc/25/69/27/1316256927.db2.gz WELAPBKLFQPBAB-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP CCN(Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152386411 1316664520 /nfs/dbraw/zinc/66/45/20/1316664520.db2.gz HSMIGEQEIMZRQE-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CCN(Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CCCN1C ZINC001152386411 1316664524 /nfs/dbraw/zinc/66/45/24/1316664524.db2.gz HSMIGEQEIMZRQE-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828223 1316894818 /nfs/dbraw/zinc/89/48/18/1316894818.db2.gz IRJHVHMAFIKRHU-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828223 1316894819 /nfs/dbraw/zinc/89/48/19/1316894819.db2.gz IRJHVHMAFIKRHU-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)(C)C1 ZINC001153868493 1316904984 /nfs/dbraw/zinc/90/49/84/1316904984.db2.gz UKVVJBBJRGWJHR-AEFFLSMTSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CC(C)(C)C1 ZINC001153868493 1316904986 /nfs/dbraw/zinc/90/49/86/1316904986.db2.gz UKVVJBBJRGWJHR-AEFFLSMTSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)(C)C1 ZINC001153868493 1316904988 /nfs/dbraw/zinc/90/49/88/1316904988.db2.gz UKVVJBBJRGWJHR-AEFFLSMTSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC(C)(C)C1 ZINC001153868493 1316904990 /nfs/dbraw/zinc/90/49/90/1316904990.db2.gz UKVVJBBJRGWJHR-AEFFLSMTSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC(C)(C)C1 ZINC001153868493 1316904992 /nfs/dbraw/zinc/90/49/92/1316904992.db2.gz UKVVJBBJRGWJHR-AEFFLSMTSA-N 2 1 333.520 2.347 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1Cl)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999844 1317414988 /nfs/dbraw/zinc/41/49/88/1317414988.db2.gz PPSUVXHBTCSIGS-MRXNPFEDSA-N 2 1 349.906 2.470 20 30 EEEDMP C=C[C@](C)(O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001252552643 1317634573 /nfs/dbraw/zinc/63/45/73/1317634573.db2.gz LDQACJASHKHNMY-AEFFLSMTSA-N 2 1 334.460 2.272 20 30 EEEDMP CC[NH+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156199606 1317916567 /nfs/dbraw/zinc/91/65/67/1317916567.db2.gz CEEKNKMFDFYNTR-QGZVFWFLSA-N 2 1 347.478 2.346 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC#Cc1ccc(F)cc1 ZINC001156199606 1317916572 /nfs/dbraw/zinc/91/65/72/1317916572.db2.gz CEEKNKMFDFYNTR-QGZVFWFLSA-N 2 1 347.478 2.346 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC#Cc1ccc(F)cc1 ZINC001156199606 1317916575 /nfs/dbraw/zinc/91/65/75/1317916575.db2.gz CEEKNKMFDFYNTR-QGZVFWFLSA-N 2 1 347.478 2.346 20 30 EEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156342284 1317971484 /nfs/dbraw/zinc/97/14/84/1317971484.db2.gz YAVOCZDQKGWUKP-XLIONFOSSA-N 2 1 329.488 2.313 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001157887404 1318918043 /nfs/dbraw/zinc/91/80/43/1318918043.db2.gz VAILRDGTKSRYSC-SFHVURJKSA-N 2 1 346.450 2.166 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001158405251 1319222570 /nfs/dbraw/zinc/22/25/70/1319222570.db2.gz OXEWOOYKTJTRJH-PKOBYXMFSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001158405251 1319222579 /nfs/dbraw/zinc/22/25/79/1319222579.db2.gz OXEWOOYKTJTRJH-PKOBYXMFSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001158405251 1319222586 /nfs/dbraw/zinc/22/25/86/1319222586.db2.gz OXEWOOYKTJTRJH-PKOBYXMFSA-N 2 1 342.487 2.090 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001159328276 1319742107 /nfs/dbraw/zinc/74/21/07/1319742107.db2.gz RYHLGAAWJQRLND-SFHVURJKSA-N 2 1 346.450 2.168 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1Cl ZINC001160198280 1320096958 /nfs/dbraw/zinc/09/69/58/1320096958.db2.gz YXNLPZNEXYERCL-KRWDZBQOSA-N 2 1 333.863 2.034 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1Cl ZINC001160198280 1320096964 /nfs/dbraw/zinc/09/69/64/1320096964.db2.gz YXNLPZNEXYERCL-KRWDZBQOSA-N 2 1 333.863 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1 ZINC001160209607 1320100464 /nfs/dbraw/zinc/10/04/64/1320100464.db2.gz SBPRITIMIFWEQR-KRWDZBQOSA-N 2 1 349.425 2.318 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1 ZINC001160209607 1320100466 /nfs/dbraw/zinc/10/04/66/1320100466.db2.gz SBPRITIMIFWEQR-KRWDZBQOSA-N 2 1 349.425 2.318 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001162928533 1320990430 /nfs/dbraw/zinc/99/04/30/1320990430.db2.gz JZLMPQFHBFGJLV-LJQANCHMSA-N 2 1 341.499 2.155 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001164449383 1321381604 /nfs/dbraw/zinc/38/16/04/1321381604.db2.gz JZFHFEFOPWIOPY-LJQANCHMSA-N 2 1 342.487 2.276 20 30 EEEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165736158 1321574630 /nfs/dbraw/zinc/57/46/30/1321574630.db2.gz IGJCUCSOLQBFKY-MSOLQXFVSA-N 2 1 349.519 2.082 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001166677189 1321763023 /nfs/dbraw/zinc/76/30/23/1321763023.db2.gz GMPJSMGQRTXHEC-MRXNPFEDSA-N 2 1 347.890 2.129 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001166764433 1321783865 /nfs/dbraw/zinc/78/38/65/1321783865.db2.gz CSIMZDHVYXUDBF-UHFFFAOYSA-N 2 1 346.450 2.025 20 30 EEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001206057351 1323381034 /nfs/dbraw/zinc/38/10/34/1323381034.db2.gz SOORJNUBBIAUEN-QGZVFWFLSA-N 2 1 330.476 2.158 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001208453701 1324505798 /nfs/dbraw/zinc/50/57/98/1324505798.db2.gz NJBNBBZMJNNGMQ-GOSISDBHSA-N 2 1 342.487 2.369 20 30 EEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001326147934 1334033162 /nfs/dbraw/zinc/03/31/62/1334033162.db2.gz VWLCZAOLFKMMSD-AWEZNQCLSA-N 2 1 325.416 2.318 20 30 EEEDMP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001574925331 1343712620 /nfs/dbraw/zinc/71/26/20/1343712620.db2.gz NPSWHIXUNDGXGN-HOTGVXAUSA-N 2 1 332.496 2.057 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001112353339 1371409988 /nfs/dbraw/zinc/40/99/88/1371409988.db2.gz CNFDFXIFGQUTJC-BJLQDIEVSA-N 2 1 331.504 2.101 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001365934403 1373778156 /nfs/dbraw/zinc/77/81/56/1373778156.db2.gz AROSAVPIXRXPAX-OALUTQOASA-N 2 1 342.487 2.225 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001365934403 1373778161 /nfs/dbraw/zinc/77/81/61/1373778161.db2.gz AROSAVPIXRXPAX-OALUTQOASA-N 2 1 342.487 2.225 20 30 EEEDMP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001376059803 1378268613 /nfs/dbraw/zinc/26/86/13/1378268613.db2.gz MJFFBAXGWZMDMR-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001376059803 1378268626 /nfs/dbraw/zinc/26/86/26/1378268626.db2.gz MJFFBAXGWZMDMR-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001376059803 1378268642 /nfs/dbraw/zinc/26/86/42/1378268642.db2.gz MJFFBAXGWZMDMR-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001376059803 1378268648 /nfs/dbraw/zinc/26/86/48/1378268648.db2.gz MJFFBAXGWZMDMR-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1C#N ZINC001391126613 1389057011 /nfs/dbraw/zinc/05/70/11/1389057011.db2.gz HJHVFABMTORULO-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccccc1C#N ZINC001391126613 1389057017 /nfs/dbraw/zinc/05/70/17/1389057017.db2.gz HJHVFABMTORULO-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccccc1C#N ZINC001391126613 1389057020 /nfs/dbraw/zinc/05/70/20/1389057020.db2.gz HJHVFABMTORULO-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1C#N ZINC001391126613 1389057027 /nfs/dbraw/zinc/05/70/27/1389057027.db2.gz HJHVFABMTORULO-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1C#N ZINC001391126613 1389057031 /nfs/dbraw/zinc/05/70/31/1389057031.db2.gz HJHVFABMTORULO-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](Cc1cccc(C#N)c1)C1CC1 ZINC001391172135 1389095697 /nfs/dbraw/zinc/09/56/97/1389095697.db2.gz KBRFOZBPDGDMTG-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC001391172135 1389095702 /nfs/dbraw/zinc/09/57/02/1389095702.db2.gz KBRFOZBPDGDMTG-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC001391172135 1389095705 /nfs/dbraw/zinc/09/57/05/1389095705.db2.gz KBRFOZBPDGDMTG-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001752823627 1406447222 /nfs/dbraw/zinc/44/72/22/1406447222.db2.gz GJHFIFPTODRRCJ-KRWDZBQOSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001752853623 1406487861 /nfs/dbraw/zinc/48/78/61/1406487861.db2.gz KLLUZUQUMWWINV-KLAILNCOSA-N 2 1 330.476 2.347 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=C)C)C1CCCCC1 ZINC001753746542 1406768591 /nfs/dbraw/zinc/76/85/91/1406768591.db2.gz YBLFPLYMVGSHPI-MOPGFXCFSA-N 2 1 331.504 2.315 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=C)C)C1CCCCC1 ZINC001753746542 1406768598 /nfs/dbraw/zinc/76/85/98/1406768598.db2.gz YBLFPLYMVGSHPI-MOPGFXCFSA-N 2 1 331.504 2.315 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001401091401 1396927583 /nfs/dbraw/zinc/92/75/83/1396927583.db2.gz SKHOBSISGBLPCA-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1cccc(C#N)c1 ZINC001402936631 1398290345 /nfs/dbraw/zinc/29/03/45/1398290345.db2.gz ZUNQMOIZAYZYBH-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001402936631 1398290347 /nfs/dbraw/zinc/29/03/47/1398290347.db2.gz ZUNQMOIZAYZYBH-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001402936631 1398290351 /nfs/dbraw/zinc/29/03/51/1398290351.db2.gz ZUNQMOIZAYZYBH-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C=CCCC[NH+]1CCC(C2(NC(=O)CC[NH+]3CCOCC3)CC2)CC1 ZINC001755870209 1407922653 /nfs/dbraw/zinc/92/26/53/1407922653.db2.gz YJFBPFFQJZPQKS-UHFFFAOYSA-N 2 1 349.519 2.036 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111986903 761938404 /nfs/dbraw/zinc/93/84/04/761938404.db2.gz FYVTVYPZOMETHA-ICSRJNTNSA-N 2 1 331.504 2.247 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309237 761576933 /nfs/dbraw/zinc/57/69/33/761576933.db2.gz DEXNUSZKHGAFJP-HOJAQTOUSA-N 2 1 345.531 2.347 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317036 761613410 /nfs/dbraw/zinc/61/34/10/761613410.db2.gz BDSDJTXACBWSJQ-NXHRZFHOSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317036 761613415 /nfs/dbraw/zinc/61/34/15/761613415.db2.gz BDSDJTXACBWSJQ-NXHRZFHOSA-N 2 1 330.476 2.373 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099340045 769638295 /nfs/dbraw/zinc/63/82/95/769638295.db2.gz OGAIJINASFJEFF-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088157701 783002330 /nfs/dbraw/zinc/00/23/30/783002330.db2.gz CIIACELOYTUKJC-MOPGFXCFSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001105413442 783029491 /nfs/dbraw/zinc/02/94/91/783029491.db2.gz RZPAHZCJQVIFSA-GGPKGHCWSA-N 2 1 327.472 2.073 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001106905678 774081078 /nfs/dbraw/zinc/08/10/78/774081078.db2.gz CHLUEIFWZFNVHC-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCC)CC1 ZINC001089735444 774815083 /nfs/dbraw/zinc/81/50/83/774815083.db2.gz LCHXNHREPJAIHF-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)cc1 ZINC001027971556 775434967 /nfs/dbraw/zinc/43/49/67/775434967.db2.gz HJRMQPNZWOBLEO-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001027971556 775434972 /nfs/dbraw/zinc/43/49/72/775434972.db2.gz HJRMQPNZWOBLEO-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001027971556 775434977 /nfs/dbraw/zinc/43/49/77/775434977.db2.gz HJRMQPNZWOBLEO-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000981816196 778270190 /nfs/dbraw/zinc/27/01/90/778270190.db2.gz QDDWTKQPESGBJO-UHFFFAOYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000981816196 778270196 /nfs/dbraw/zinc/27/01/96/778270196.db2.gz QDDWTKQPESGBJO-UHFFFAOYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000981816196 778270204 /nfs/dbraw/zinc/27/02/04/778270204.db2.gz QDDWTKQPESGBJO-UHFFFAOYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000981816196 778270209 /nfs/dbraw/zinc/27/02/09/778270209.db2.gz QDDWTKQPESGBJO-UHFFFAOYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001028226250 779397567 /nfs/dbraw/zinc/39/75/67/779397567.db2.gz IPKCTBSYUGXIJN-QGZVFWFLSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226250 779397570 /nfs/dbraw/zinc/39/75/70/779397570.db2.gz IPKCTBSYUGXIJN-QGZVFWFLSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226250 779397576 /nfs/dbraw/zinc/39/75/76/779397576.db2.gz IPKCTBSYUGXIJN-QGZVFWFLSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982294852 779596637 /nfs/dbraw/zinc/59/66/37/779596637.db2.gz IXPSOQKZILKDAL-SESVDKBCSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982294852 779596644 /nfs/dbraw/zinc/59/66/44/779596644.db2.gz IXPSOQKZILKDAL-SESVDKBCSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982294852 779596648 /nfs/dbraw/zinc/59/66/48/779596648.db2.gz IXPSOQKZILKDAL-SESVDKBCSA-N 2 1 345.531 2.158 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982299368 779625437 /nfs/dbraw/zinc/62/54/37/779625437.db2.gz DVGSZLUKIGLIAC-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982299368 779625444 /nfs/dbraw/zinc/62/54/44/779625444.db2.gz DVGSZLUKIGLIAC-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982299368 779625450 /nfs/dbraw/zinc/62/54/50/779625450.db2.gz DVGSZLUKIGLIAC-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149397446 790804761 /nfs/dbraw/zinc/80/47/61/790804761.db2.gz BTXWTZMPDHHRIH-ROUUACIJSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001149397446 790804775 /nfs/dbraw/zinc/80/47/75/790804775.db2.gz BTXWTZMPDHHRIH-ROUUACIJSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001149397446 790804781 /nfs/dbraw/zinc/80/47/81/790804781.db2.gz BTXWTZMPDHHRIH-ROUUACIJSA-N 2 1 339.524 2.258 20 30 EEEDMP C=CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087453389 780856805 /nfs/dbraw/zinc/85/68/05/780856805.db2.gz QIFWIXPNWYTZCO-QRVBRYPASA-N 2 1 345.462 2.380 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860599 790874235 /nfs/dbraw/zinc/87/42/35/790874235.db2.gz SVRCEJQYNJLXHZ-VKJFTORMSA-N 2 1 325.472 2.354 20 30 EEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860599 790874244 /nfs/dbraw/zinc/87/42/44/790874244.db2.gz SVRCEJQYNJLXHZ-VKJFTORMSA-N 2 1 325.472 2.354 20 30 EEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860599 790874255 /nfs/dbraw/zinc/87/42/55/790874255.db2.gz SVRCEJQYNJLXHZ-VKJFTORMSA-N 2 1 325.472 2.354 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808289 783539433 /nfs/dbraw/zinc/53/94/33/783539433.db2.gz MQDVGPOAWUDVHN-GBESFXJTSA-N 2 1 331.504 2.055 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135437161 783766100 /nfs/dbraw/zinc/76/61/00/783766100.db2.gz PPFADJDSMVOJGP-UHFFFAOYSA-N 2 1 348.466 2.415 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1ccnc1CC)CC2 ZINC001035186793 784063617 /nfs/dbraw/zinc/06/36/17/784063617.db2.gz JHYQJLORCODJTQ-QGZVFWFLSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)CC2 ZINC001035186793 784063624 /nfs/dbraw/zinc/06/36/24/784063624.db2.gz JHYQJLORCODJTQ-QGZVFWFLSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)CC2 ZINC001035186793 784063633 /nfs/dbraw/zinc/06/36/33/784063633.db2.gz JHYQJLORCODJTQ-QGZVFWFLSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678768 784214593 /nfs/dbraw/zinc/21/45/93/784214593.db2.gz ICMICJYUNXMFJT-CVEARBPZSA-N 2 1 336.480 2.047 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001035373150 784390870 /nfs/dbraw/zinc/39/08/70/784390870.db2.gz HAFAXYFUHVZKER-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001035373150 784390881 /nfs/dbraw/zinc/39/08/81/784390881.db2.gz HAFAXYFUHVZKER-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001035373150 784390892 /nfs/dbraw/zinc/39/08/92/784390892.db2.gz HAFAXYFUHVZKER-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001035373150 784390904 /nfs/dbraw/zinc/39/09/04/784390904.db2.gz HAFAXYFUHVZKER-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035772441 785152132 /nfs/dbraw/zinc/15/21/32/785152132.db2.gz BEWYWHNOWHWCAS-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001036193312 785963972 /nfs/dbraw/zinc/96/39/72/785963972.db2.gz MESIJZPQWVVMDN-DZGCQCFKSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109561598 805680455 /nfs/dbraw/zinc/68/04/55/805680455.db2.gz GQRLQZCMRBYZOV-QYZOEREBSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652416 787991650 /nfs/dbraw/zinc/99/16/50/787991650.db2.gz SKHGRMSKDOEDBI-TZIWHRDSSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652416 787991659 /nfs/dbraw/zinc/99/16/59/787991659.db2.gz SKHGRMSKDOEDBI-TZIWHRDSSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652416 787991662 /nfs/dbraw/zinc/99/16/62/787991662.db2.gz SKHGRMSKDOEDBI-TZIWHRDSSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652416 787991671 /nfs/dbraw/zinc/99/16/71/787991671.db2.gz SKHGRMSKDOEDBI-TZIWHRDSSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652416 787991676 /nfs/dbraw/zinc/99/16/76/787991676.db2.gz SKHGRMSKDOEDBI-TZIWHRDSSA-N 2 1 339.483 2.112 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001005893809 788723649 /nfs/dbraw/zinc/72/36/49/788723649.db2.gz ZZYZAQVBSWXUFF-INIZCTEOSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCCC[NH+]1CC(OC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001105724397 789261964 /nfs/dbraw/zinc/26/19/64/789261964.db2.gz ACOIPZDFGOLRJB-QGZVFWFLSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908901 789794910 /nfs/dbraw/zinc/79/49/10/789794910.db2.gz HHPKRDSYCVZPGD-MANSERQUSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC000992142697 792895495 /nfs/dbraw/zinc/89/54/95/792895495.db2.gz BWALHPKFHGOYQF-YVWKXTFCSA-N 2 1 342.487 2.443 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC000992142697 792895503 /nfs/dbraw/zinc/89/55/03/792895503.db2.gz BWALHPKFHGOYQF-YVWKXTFCSA-N 2 1 342.487 2.443 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC000992143780 792906112 /nfs/dbraw/zinc/90/61/12/792906112.db2.gz CYXFAAPPMLHXFF-CMKODMSKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992143780 792906116 /nfs/dbraw/zinc/90/61/16/792906116.db2.gz CYXFAAPPMLHXFF-CMKODMSKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992143780 792906122 /nfs/dbraw/zinc/90/61/22/792906122.db2.gz CYXFAAPPMLHXFF-CMKODMSKSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992191822 793155718 /nfs/dbraw/zinc/15/57/18/793155718.db2.gz SBRFWHKSVSFNML-ZYSHUDEJSA-N 2 1 337.483 2.498 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992191822 793155723 /nfs/dbraw/zinc/15/57/23/793155723.db2.gz SBRFWHKSVSFNML-ZYSHUDEJSA-N 2 1 337.483 2.498 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992191822 793155730 /nfs/dbraw/zinc/15/57/30/793155730.db2.gz SBRFWHKSVSFNML-ZYSHUDEJSA-N 2 1 337.483 2.498 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992316033 793641745 /nfs/dbraw/zinc/64/17/45/793641745.db2.gz LSCCSBCTEABLPB-TZIWHRDSSA-N 2 1 339.483 2.498 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133749 794650554 /nfs/dbraw/zinc/65/05/54/794650554.db2.gz MKROGQSQXXKFTR-GUDVDZBRSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001093383543 795125609 /nfs/dbraw/zinc/12/56/09/795125609.db2.gz MUDZOFAZOCDIMW-GOSISDBHSA-N 2 1 343.515 2.361 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001079735673 795150845 /nfs/dbraw/zinc/15/08/45/795150845.db2.gz AUGKOOBDDSPPAE-OLMNPRSZSA-N 2 1 345.491 2.193 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001106266402 795312105 /nfs/dbraw/zinc/31/21/05/795312105.db2.gz HZIYVABPWKVKRZ-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001106266402 795312112 /nfs/dbraw/zinc/31/21/12/795312112.db2.gz HZIYVABPWKVKRZ-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001093533905 795319875 /nfs/dbraw/zinc/31/98/75/795319875.db2.gz CYGWVXRZZZGLII-IBGZPJMESA-N 2 1 349.519 2.127 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001093533905 795319878 /nfs/dbraw/zinc/31/98/78/795319878.db2.gz CYGWVXRZZZGLII-IBGZPJMESA-N 2 1 349.519 2.127 20 30 EEEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001107998746 795346410 /nfs/dbraw/zinc/34/64/10/795346410.db2.gz QREOAANDCREGSF-AZUAARDMSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107998746 795346421 /nfs/dbraw/zinc/34/64/21/795346421.db2.gz QREOAANDCREGSF-AZUAARDMSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107998746 795346426 /nfs/dbraw/zinc/34/64/26/795346426.db2.gz QREOAANDCREGSF-AZUAARDMSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC001093599202 795439890 /nfs/dbraw/zinc/43/98/90/795439890.db2.gz SMURRQAKCQGWDV-IAGOWNOFSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171628817 796648312 /nfs/dbraw/zinc/64/83/12/796648312.db2.gz CAFBRLTYCHOROQ-CYBMUJFWSA-N 2 1 342.871 2.367 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C12CCC2 ZINC001078724689 796883799 /nfs/dbraw/zinc/88/37/99/796883799.db2.gz GJCJYCCQVYEZCN-SJORKVTESA-N 2 1 344.459 2.087 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C12CCC2 ZINC001078724687 796883838 /nfs/dbraw/zinc/88/38/38/796883838.db2.gz GJCJYCCQVYEZCN-IAGOWNOFSA-N 2 1 344.459 2.087 20 30 EEEDMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972039 797175770 /nfs/dbraw/zinc/17/57/70/797175770.db2.gz VXOMEJQWQOIEIR-JYJNAYRXSA-N 2 1 336.480 2.352 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994118251 797300776 /nfs/dbraw/zinc/30/07/76/797300776.db2.gz VFKWLKQBNHZGME-QAPCUYQASA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994118251 797300783 /nfs/dbraw/zinc/30/07/83/797300783.db2.gz VFKWLKQBNHZGME-QAPCUYQASA-N 2 1 339.443 2.426 20 30 EEEDMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C1CCC(C)(C#N)CC1)CC2 ZINC001173595246 797551159 /nfs/dbraw/zinc/55/11/59/797551159.db2.gz NJLHRGKAMCWWIB-UHFFFAOYSA-N 2 1 332.492 2.135 20 30 EEEDMP CNC(=O)C[N@H+]1CCCC12CC[NH+](C1CCC(C)(C#N)CC1)CC2 ZINC001173595246 797551163 /nfs/dbraw/zinc/55/11/63/797551163.db2.gz NJLHRGKAMCWWIB-UHFFFAOYSA-N 2 1 332.492 2.135 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994482859 798078296 /nfs/dbraw/zinc/07/82/96/798078296.db2.gz FJEOFXSVEXKWAF-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084676038 798361874 /nfs/dbraw/zinc/36/18/74/798361874.db2.gz OWJXKRVXGUADRI-YSTOQKLRSA-N 2 1 339.483 2.051 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084676038 798361878 /nfs/dbraw/zinc/36/18/78/798361878.db2.gz OWJXKRVXGUADRI-YSTOQKLRSA-N 2 1 339.483 2.051 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084676038 798361883 /nfs/dbraw/zinc/36/18/83/798361883.db2.gz OWJXKRVXGUADRI-YSTOQKLRSA-N 2 1 339.483 2.051 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001212453039 798370707 /nfs/dbraw/zinc/37/07/07/798370707.db2.gz OXQYJFAFDDTGEN-KZNAEPCWSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001032827214 798455000 /nfs/dbraw/zinc/45/50/00/798455000.db2.gz ADQHRPYOSSSFND-GJYPPUQNSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2F)C1 ZINC001032827214 798455004 /nfs/dbraw/zinc/45/50/04/798455004.db2.gz ADQHRPYOSSSFND-GJYPPUQNSA-N 2 1 343.446 2.175 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049619 798638182 /nfs/dbraw/zinc/63/81/82/798638182.db2.gz OEGVBFPRUJASSN-OTWHNJEPSA-N 2 1 331.504 2.197 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001176986088 798674479 /nfs/dbraw/zinc/67/44/79/798674479.db2.gz DMGVWSNRIUYCRJ-GOSISDBHSA-N 2 1 328.460 2.029 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001177162229 798782845 /nfs/dbraw/zinc/78/28/45/798782845.db2.gz JTOYLVFXCZEHHN-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001177162229 798782849 /nfs/dbraw/zinc/78/28/49/798782849.db2.gz JTOYLVFXCZEHHN-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001177162231 798783460 /nfs/dbraw/zinc/78/34/60/798783460.db2.gz JTOYLVFXCZEHHN-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001177162231 798783464 /nfs/dbraw/zinc/78/34/64/798783464.db2.gz JTOYLVFXCZEHHN-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081205 801500740 /nfs/dbraw/zinc/50/07/40/801500740.db2.gz FZXPOPKJQAUTND-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033081205 801500745 /nfs/dbraw/zinc/50/07/45/801500745.db2.gz FZXPOPKJQAUTND-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033081205 801500750 /nfs/dbraw/zinc/50/07/50/801500750.db2.gz FZXPOPKJQAUTND-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001183255247 801540497 /nfs/dbraw/zinc/54/04/97/801540497.db2.gz LNJSIPZFOQSOCS-MOPGFXCFSA-N 2 1 348.450 2.003 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592327 801680978 /nfs/dbraw/zinc/68/09/78/801680978.db2.gz HTYDOTWLIMEQCV-ZGXWSNOMSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592327 801680982 /nfs/dbraw/zinc/68/09/82/801680982.db2.gz HTYDOTWLIMEQCV-ZGXWSNOMSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592327 801680985 /nfs/dbraw/zinc/68/09/85/801680985.db2.gz HTYDOTWLIMEQCV-ZGXWSNOMSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccsc2)CC1 ZINC001085987062 801841707 /nfs/dbraw/zinc/84/17/07/801841707.db2.gz SQHDTSJVATYCOZ-SFHVURJKSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccsc2)CC1 ZINC001085987062 801841712 /nfs/dbraw/zinc/84/17/12/801841712.db2.gz SQHDTSJVATYCOZ-SFHVURJKSA-N 2 1 345.512 2.126 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004455730 802114453 /nfs/dbraw/zinc/11/44/53/802114453.db2.gz ABTJMHCTLHEWEO-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946653801 802650107 /nfs/dbraw/zinc/65/01/07/802650107.db2.gz HMHFJEKBCIWKSN-HDICACEKSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946653801 802650109 /nfs/dbraw/zinc/65/01/09/802650109.db2.gz HMHFJEKBCIWKSN-HDICACEKSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946653801 802650112 /nfs/dbraw/zinc/65/01/12/802650112.db2.gz HMHFJEKBCIWKSN-HDICACEKSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108418196 803506345 /nfs/dbraw/zinc/50/63/45/803506345.db2.gz QUYMYCYQKUKWEZ-LJQANCHMSA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086624152 810935410 /nfs/dbraw/zinc/93/54/10/810935410.db2.gz PYVAGUQZIAWBMZ-HSALFYBXSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086624152 810935414 /nfs/dbraw/zinc/93/54/14/810935414.db2.gz PYVAGUQZIAWBMZ-HSALFYBXSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086624152 810935418 /nfs/dbraw/zinc/93/54/18/810935418.db2.gz PYVAGUQZIAWBMZ-HSALFYBXSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001131562156 812971716 /nfs/dbraw/zinc/97/17/16/812971716.db2.gz MOEALBFHBOSUFE-POAQFYNOSA-N 2 1 349.519 2.033 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001443333129 1097842900 /nfs/dbraw/zinc/84/29/00/1097842900.db2.gz RNGLECVPNVGVPN-LJQANCHMSA-N 2 1 342.487 2.180 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001443333129 1097842907 /nfs/dbraw/zinc/84/29/07/1097842907.db2.gz RNGLECVPNVGVPN-LJQANCHMSA-N 2 1 342.487 2.180 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001443333129 1097842911 /nfs/dbraw/zinc/84/29/11/1097842911.db2.gz RNGLECVPNVGVPN-LJQANCHMSA-N 2 1 342.487 2.180 20 30 EEEDMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001443935415 1098455168 /nfs/dbraw/zinc/45/51/68/1098455168.db2.gz PARVJAAESBDLQI-QGZVFWFLSA-N 2 1 328.460 2.027 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001496370346 1100963759 /nfs/dbraw/zinc/96/37/59/1100963759.db2.gz UGQSBGLHTUAWHM-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C[N@@H+](CC(=O)NCC1CN(Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001494592397 1104179301 /nfs/dbraw/zinc/17/93/01/1104179301.db2.gz FIQMIVCVLGCNMN-UHFFFAOYSA-N 2 1 348.516 2.146 20 30 EEEDMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000248058999 160337219 /nfs/dbraw/zinc/33/72/19/160337219.db2.gz XYLRPKKMYXKSDF-LSDHHAIUSA-N 2 1 332.473 2.364 20 30 EEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000248058999 160337220 /nfs/dbraw/zinc/33/72/20/160337220.db2.gz XYLRPKKMYXKSDF-LSDHHAIUSA-N 2 1 332.473 2.364 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000248058999 160337221 /nfs/dbraw/zinc/33/72/21/160337221.db2.gz XYLRPKKMYXKSDF-LSDHHAIUSA-N 2 1 332.473 2.364 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000248058999 160337222 /nfs/dbraw/zinc/33/72/22/160337222.db2.gz XYLRPKKMYXKSDF-LSDHHAIUSA-N 2 1 332.473 2.364 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000369398899 166252877 /nfs/dbraw/zinc/25/28/77/166252877.db2.gz QUMNBIZWFNXMJJ-IBGZPJMESA-N 2 1 342.487 2.037 20 30 EEEDMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]([NH3+])CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000424176382 278009846 /nfs/dbraw/zinc/00/98/46/278009846.db2.gz RGNNTEVUVWMTRV-NEWSRXKRSA-N 2 1 342.487 2.424 20 30 EEEDMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C[C@H]1C ZINC000328662111 465092627 /nfs/dbraw/zinc/09/26/27/465092627.db2.gz AJQIXIFCUIIOHL-ZACQAIPSSA-N 2 1 345.491 2.379 20 30 EEEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)cc[nH+]1 ZINC000328848342 465146363 /nfs/dbraw/zinc/14/63/63/465146363.db2.gz RAWYFJIRKAYYFL-UGUYLWEFSA-N 2 1 346.454 2.083 20 30 EEEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc[nH+]1 ZINC000328848342 465146366 /nfs/dbraw/zinc/14/63/66/465146366.db2.gz RAWYFJIRKAYYFL-UGUYLWEFSA-N 2 1 346.454 2.083 20 30 EEEDMP C=CC[N@@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](CC)CC1 ZINC000062364373 462615257 /nfs/dbraw/zinc/61/52/57/462615257.db2.gz MVCSEAMJAUQMSI-UHFFFAOYSA-N 2 1 329.488 2.318 20 30 EEEDMP C=CC[N@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](CC)CC1 ZINC000062364373 462615264 /nfs/dbraw/zinc/61/52/64/462615264.db2.gz MVCSEAMJAUQMSI-UHFFFAOYSA-N 2 1 329.488 2.318 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137448576 463292933 /nfs/dbraw/zinc/29/29/33/463292933.db2.gz FCJYMSWXSYFYPJ-PXNSSMCTSA-N 2 1 339.483 2.111 20 30 EEEDMP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCCO1 ZINC000277533517 463919575 /nfs/dbraw/zinc/91/95/75/463919575.db2.gz XSNSSZQKBVGHBV-OAHLLOKOSA-N 2 1 330.476 2.403 20 30 EEEDMP COc1ccc(CCNC(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000277601653 463921998 /nfs/dbraw/zinc/92/19/98/463921998.db2.gz WXXRPFPIDBKPSJ-QGZVFWFLSA-N 2 1 330.476 2.159 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)C(C)C ZINC000291605865 464156690 /nfs/dbraw/zinc/15/66/90/464156690.db2.gz JCCMVKZLIXSBAV-QUCCMNQESA-N 2 1 348.535 2.422 20 30 EEEDMP C=CCc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1O ZINC000282205094 464734445 /nfs/dbraw/zinc/73/44/45/464734445.db2.gz CWPZOFFTICZYBG-UHFFFAOYSA-N 2 1 347.503 2.245 20 30 EEEDMP COc1cc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000282867907 464982577 /nfs/dbraw/zinc/98/25/77/464982577.db2.gz XTXVFJMEVXBZOU-KRWDZBQOSA-N 2 1 329.444 2.111 20 30 EEEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360954973 465660341 /nfs/dbraw/zinc/66/03/41/465660341.db2.gz ANSMAUXUQAXKCV-OKZBNKHCSA-N 2 1 336.524 2.485 20 30 EEEDMP C#CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371469784 465818100 /nfs/dbraw/zinc/81/81/00/465818100.db2.gz GPXHCPAHAFFFAD-YZGWKJHDSA-N 2 1 328.456 2.382 20 30 EEEDMP C#CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371469784 465818108 /nfs/dbraw/zinc/81/81/08/465818108.db2.gz GPXHCPAHAFFFAD-YZGWKJHDSA-N 2 1 328.456 2.382 20 30 EEEDMP Cc1cc(NC2CC[NH+](C)CC2)c(C#N)c(NC2CC[NH+](C)CC2)[nH+]1 ZINC000591593542 468487954 /nfs/dbraw/zinc/48/79/54/468487954.db2.gz LHXXFXZSGZHOFX-UHFFFAOYSA-N 3 1 342.491 2.274 20 30 EEEDMP C[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1C ZINC000433325387 467318840 /nfs/dbraw/zinc/31/88/40/467318840.db2.gz GDCAHINOKAXERP-YJBOKZPZSA-N 2 1 338.459 2.431 20 30 EEEDMP C=CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000420305937 467346652 /nfs/dbraw/zinc/34/66/52/467346652.db2.gz QDXCMEIGJUJTAB-JKSUJKDBSA-N 2 1 326.448 2.211 20 30 EEEDMP CCN1CCC([N@H+]2CCCN(c3ncc(C#N)cc3F)CC2)CC1 ZINC000420625174 467436707 /nfs/dbraw/zinc/43/67/07/467436707.db2.gz KLVUPIBVFOWHHV-UHFFFAOYSA-N 2 1 331.439 2.089 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C#N)C[C@H]1C ZINC000528397525 467681280 /nfs/dbraw/zinc/68/12/80/467681280.db2.gz QMKBWWJHXZASJA-NJAFHUGGSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2C#N)C[C@H]1C ZINC000528397525 467681283 /nfs/dbraw/zinc/68/12/83/467681283.db2.gz QMKBWWJHXZASJA-NJAFHUGGSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2C#N)C[C@H]1C ZINC000528397525 467681288 /nfs/dbraw/zinc/68/12/88/467681288.db2.gz QMKBWWJHXZASJA-NJAFHUGGSA-N 2 1 331.460 2.103 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000488801916 468105633 /nfs/dbraw/zinc/10/56/33/468105633.db2.gz QIHFBELFBBBEFR-JFIYKMOQSA-N 2 1 334.508 2.009 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@](C)(C#N)C3)CC2)CC1 ZINC000594338840 468555697 /nfs/dbraw/zinc/55/56/97/468555697.db2.gz HPIHRPMLDORQMR-HXUWFJFHSA-N 2 1 346.519 2.335 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N([C@H](C)C#N)C3CC3)CC2)CC1 ZINC000598135361 468775735 /nfs/dbraw/zinc/77/57/35/468775735.db2.gz TWYJRJPXYMQMTR-OAHLLOKOSA-N 2 1 332.492 2.086 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(OC)c1 ZINC000113514382 527254095 /nfs/dbraw/zinc/25/40/95/527254095.db2.gz HUJDFNJZBYEOKJ-ROUUACIJSA-N 2 1 348.487 2.047 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(OC)c1 ZINC000113514382 527254100 /nfs/dbraw/zinc/25/41/00/527254100.db2.gz HUJDFNJZBYEOKJ-ROUUACIJSA-N 2 1 348.487 2.047 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000730105154 576715820 /nfs/dbraw/zinc/71/58/20/576715820.db2.gz BZDSFVHCGJZPQQ-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000730105154 576715821 /nfs/dbraw/zinc/71/58/21/576715821.db2.gz BZDSFVHCGJZPQQ-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000730105154 576715822 /nfs/dbraw/zinc/71/58/22/576715822.db2.gz BZDSFVHCGJZPQQ-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000730105154 576715823 /nfs/dbraw/zinc/71/58/23/576715823.db2.gz BZDSFVHCGJZPQQ-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000969869405 675270743 /nfs/dbraw/zinc/27/07/43/675270743.db2.gz QLFRHMPYKBFQIF-LPHOPBHVSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000969869405 675270745 /nfs/dbraw/zinc/27/07/45/675270745.db2.gz QLFRHMPYKBFQIF-LPHOPBHVSA-N 2 1 329.488 2.021 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001022109039 676658706 /nfs/dbraw/zinc/65/87/06/676658706.db2.gz BUBWMOBLPZWAOV-ZSYWTGECSA-N 2 1 340.471 2.025 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C)C1 ZINC000971704006 676748213 /nfs/dbraw/zinc/74/82/13/676748213.db2.gz PBSIQYBYDHGKPM-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC000971704006 676748214 /nfs/dbraw/zinc/74/82/14/676748214.db2.gz PBSIQYBYDHGKPM-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C)C1 ZINC000971704006 676748216 /nfs/dbraw/zinc/74/82/16/676748216.db2.gz PBSIQYBYDHGKPM-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C)C1 ZINC000971704006 676748218 /nfs/dbraw/zinc/74/82/18/676748218.db2.gz PBSIQYBYDHGKPM-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971801613 676814451 /nfs/dbraw/zinc/81/44/51/676814451.db2.gz SPTWNZBJGUUYND-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971801613 676814453 /nfs/dbraw/zinc/81/44/53/676814453.db2.gz SPTWNZBJGUUYND-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971801613 676814454 /nfs/dbraw/zinc/81/44/54/676814454.db2.gz SPTWNZBJGUUYND-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971801613 676814456 /nfs/dbraw/zinc/81/44/56/676814456.db2.gz SPTWNZBJGUUYND-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)C(C)C ZINC000891939757 677721159 /nfs/dbraw/zinc/72/11/59/677721159.db2.gz DUKWSQYVBTVFLM-KURKYZTESA-N 2 1 334.508 2.031 20 30 EEEDMP CC[NH+]=C(NC[C@H]1CCCC[N@H+]1CC)N1CCC2(C1)CCOCC2 ZINC000262804253 679553649 /nfs/dbraw/zinc/55/36/49/679553649.db2.gz RSWJOOYDRIEKDN-QGZVFWFLSA-N 2 1 336.524 2.329 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001024021944 679765235 /nfs/dbraw/zinc/76/52/35/679765235.db2.gz MRZMEWUJKNZKNP-PMACEKPBSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001024021944 679765236 /nfs/dbraw/zinc/76/52/36/679765236.db2.gz MRZMEWUJKNZKNP-PMACEKPBSA-N 2 1 339.483 2.112 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024569757 681214183 /nfs/dbraw/zinc/21/41/83/681214183.db2.gz GAIGGFJERURNFV-IBGZPJMESA-N 2 1 341.499 2.398 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024570545 681216640 /nfs/dbraw/zinc/21/66/40/681216640.db2.gz LUJHLDAQSSIYKF-LJQANCHMSA-N 2 1 341.499 2.398 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974821240 685579804 /nfs/dbraw/zinc/57/98/04/685579804.db2.gz AQHMLHGDASCBDP-QGZVFWFLSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974821240 685579807 /nfs/dbraw/zinc/57/98/07/685579807.db2.gz AQHMLHGDASCBDP-QGZVFWFLSA-N 2 1 330.476 2.165 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001025630733 683168273 /nfs/dbraw/zinc/16/82/73/683168273.db2.gz VKHULFCFKQSWDM-XLIONFOSSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001026360559 684439029 /nfs/dbraw/zinc/43/90/29/684439029.db2.gz KZWBFTNRLJNORG-HRCADAONSA-N 2 1 339.911 2.297 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974679266 685216207 /nfs/dbraw/zinc/21/62/07/685216207.db2.gz GSTGLXJNTWLNMG-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974679266 685216213 /nfs/dbraw/zinc/21/62/13/685216213.db2.gz GSTGLXJNTWLNMG-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974679266 685216220 /nfs/dbraw/zinc/21/62/20/685216220.db2.gz GSTGLXJNTWLNMG-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974679266 685216226 /nfs/dbraw/zinc/21/62/26/685216226.db2.gz GSTGLXJNTWLNMG-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000985445644 686775312 /nfs/dbraw/zinc/77/53/12/686775312.db2.gz MEVNSASHJSYMNA-GOSISDBHSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000985445644 686775318 /nfs/dbraw/zinc/77/53/18/686775318.db2.gz MEVNSASHJSYMNA-GOSISDBHSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000985445644 686775325 /nfs/dbraw/zinc/77/53/25/686775325.db2.gz MEVNSASHJSYMNA-GOSISDBHSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000985445644 686775329 /nfs/dbraw/zinc/77/53/29/686775329.db2.gz MEVNSASHJSYMNA-GOSISDBHSA-N 2 1 345.491 2.289 20 30 EEEDMP C[NH+]=C(NCc1cc(-c2ccccc2)no1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262748257 688315158 /nfs/dbraw/zinc/31/51/58/688315158.db2.gz GEOZXSRELLTXAR-HNNXBMFYSA-N 2 1 339.443 2.243 20 30 EEEDMP C[NH+]=C(NCc1cc(-c2ccccc2)no1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262748257 688315164 /nfs/dbraw/zinc/31/51/64/688315164.db2.gz GEOZXSRELLTXAR-HNNXBMFYSA-N 2 1 339.443 2.243 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1CNC(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)=[NH+]C ZINC000262749619 688346503 /nfs/dbraw/zinc/34/65/03/688346503.db2.gz BLLFJPZQOZUPFN-YYIAUSFCSA-N 2 1 336.524 2.229 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001027487423 692365078 /nfs/dbraw/zinc/36/50/78/692365078.db2.gz UCVPNVFJPOGJEO-KRWDZBQOSA-N 2 1 339.443 2.380 20 30 EEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001027576866 693161359 /nfs/dbraw/zinc/16/13/59/693161359.db2.gz YTMKKSLPHHMVNS-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001027576866 693161360 /nfs/dbraw/zinc/16/13/60/693161360.db2.gz YTMKKSLPHHMVNS-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272715988 1191976588 /nfs/dbraw/zinc/97/65/88/1191976588.db2.gz BQTKOTKBGHNAFA-FQEVSTJZSA-N 2 1 331.504 2.200 20 30 EEEDMP C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001105446076 1187195670 /nfs/dbraw/zinc/19/56/70/1187195670.db2.gz AMYQSLJTYRTLNV-TYKWCNGQSA-N 2 1 341.499 2.158 20 30 EEEDMP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001105446723 1187201094 /nfs/dbraw/zinc/20/10/94/1187201094.db2.gz RNMCOSYZLLFYBO-QFUCXCTJSA-N 2 1 341.499 2.320 20 30 EEEDMP C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272808931 1193529369 /nfs/dbraw/zinc/52/93/69/1193529369.db2.gz QNWSADMANTXOEK-LJQANCHMSA-N 2 1 328.460 2.275 20 30 EEEDMP C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272808931 1193529371 /nfs/dbraw/zinc/52/93/71/1193529371.db2.gz QNWSADMANTXOEK-LJQANCHMSA-N 2 1 328.460 2.275 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001105549661 1188165352 /nfs/dbraw/zinc/16/53/52/1188165352.db2.gz RGIBBSHXWMASKP-GOSISDBHSA-N 2 1 342.487 2.356 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244372 1188806232 /nfs/dbraw/zinc/80/62/32/1188806232.db2.gz PSBHLIXVTOGCRX-FCEWJHQRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244372 1188806234 /nfs/dbraw/zinc/80/62/34/1188806234.db2.gz PSBHLIXVTOGCRX-FCEWJHQRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244372 1188806238 /nfs/dbraw/zinc/80/62/38/1188806238.db2.gz PSBHLIXVTOGCRX-FCEWJHQRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033958876 1195560686 /nfs/dbraw/zinc/56/06/86/1195560686.db2.gz RKGHUIWKGPTGBD-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033958876 1195560690 /nfs/dbraw/zinc/56/06/90/1195560690.db2.gz RKGHUIWKGPTGBD-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445091 1196220495 /nfs/dbraw/zinc/22/04/95/1196220495.db2.gz PPUXTCRCNURLSJ-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc[nH]1 ZINC001273146338 1197023898 /nfs/dbraw/zinc/02/38/98/1197023898.db2.gz KHRVJBKCAPKFDC-OALUTQOASA-N 2 1 342.487 2.232 20 30 EEEDMP C[N@@H+](CC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1)CC(C)(C)C ZINC001133899580 1199163355 /nfs/dbraw/zinc/16/33/55/1199163355.db2.gz NHMAFLZNQSPFNF-UHFFFAOYSA-N 2 1 349.906 2.375 20 30 EEEDMP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608109 1199699775 /nfs/dbraw/zinc/69/97/75/1199699775.db2.gz QVQZNPSXOGRNNG-HZPDHXFCSA-N 2 1 342.487 2.415 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132441474 1199726197 /nfs/dbraw/zinc/72/61/97/1199726197.db2.gz PRSMLBPWXLDEDI-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132441474 1199726198 /nfs/dbraw/zinc/72/61/98/1199726198.db2.gz PRSMLBPWXLDEDI-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132441474 1199726201 /nfs/dbraw/zinc/72/62/01/1199726201.db2.gz PRSMLBPWXLDEDI-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133146440 1200519949 /nfs/dbraw/zinc/51/99/49/1200519949.db2.gz JTYDAWSXVKENAH-MSOLQXFVSA-N 2 1 344.503 2.494 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CCC[C@]23CCN(CCn2ccnc2)C3=O)c1 ZINC001275268392 1205294972 /nfs/dbraw/zinc/29/49/72/1205294972.db2.gz GIJDZJMRCAXLIO-HXUWFJFHSA-N 2 1 349.438 2.022 20 30 EEEDMP N#Cc1cccc(CN2CCC[C@]23CCN(CCn2ccnc2)C3=O)c1 ZINC001275268392 1205294973 /nfs/dbraw/zinc/29/49/73/1205294973.db2.gz GIJDZJMRCAXLIO-HXUWFJFHSA-N 2 1 349.438 2.022 20 30 EEEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001275589425 1205432912 /nfs/dbraw/zinc/43/29/12/1205432912.db2.gz SQDBEHFZZLNYJP-GOSISDBHSA-N 2 1 332.517 2.469 20 30 EEEDMP CC(C)(C)[NH2+]CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000929581775 1206488104 /nfs/dbraw/zinc/48/81/04/1206488104.db2.gz LWVYIEFSRBOZOR-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439410 1209139095 /nfs/dbraw/zinc/13/90/95/1209139095.db2.gz OXRPFKMEUCIPRX-IAGOWNOFSA-N 2 1 328.460 2.097 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439410 1209139096 /nfs/dbraw/zinc/13/90/96/1209139096.db2.gz OXRPFKMEUCIPRX-IAGOWNOFSA-N 2 1 328.460 2.097 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000948449889 1209145708 /nfs/dbraw/zinc/14/57/08/1209145708.db2.gz XZVLSGSLNMGOOL-XRMLWCHGSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000948449889 1209145710 /nfs/dbraw/zinc/14/57/10/1209145710.db2.gz XZVLSGSLNMGOOL-XRMLWCHGSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC000948449889 1209145712 /nfs/dbraw/zinc/14/57/12/1209145712.db2.gz XZVLSGSLNMGOOL-XRMLWCHGSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC000948449889 1209145714 /nfs/dbraw/zinc/14/57/14/1209145714.db2.gz XZVLSGSLNMGOOL-XRMLWCHGSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948766785 1209360959 /nfs/dbraw/zinc/36/09/59/1209360959.db2.gz OBBJDXZOYPGTEA-LPHOPBHVSA-N 2 1 337.483 2.145 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CCO2 ZINC000949204351 1209576356 /nfs/dbraw/zinc/57/63/56/1209576356.db2.gz DGHHAZHPFWRUFX-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000950533795 1210265106 /nfs/dbraw/zinc/26/51/06/1210265106.db2.gz MUHJYPJUWUECEM-QLOJAFMTSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000950533795 1210265110 /nfs/dbraw/zinc/26/51/10/1210265110.db2.gz MUHJYPJUWUECEM-QLOJAFMTSA-N 2 1 345.531 2.443 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000303872542 1213916100 /nfs/dbraw/zinc/91/61/00/1213916100.db2.gz CBCUASGKJVZVKL-UHFFFAOYSA-N 2 1 345.535 2.145 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCC=C)CC2 ZINC000957561357 1215211870 /nfs/dbraw/zinc/21/18/70/1215211870.db2.gz MZLWSZOVCJZQQA-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCC=C)CC2 ZINC000957561357 1215211873 /nfs/dbraw/zinc/21/18/73/1215211873.db2.gz MZLWSZOVCJZQQA-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733760 1225605351 /nfs/dbraw/zinc/60/53/51/1225605351.db2.gz WSDKXGNOWLJRJT-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733760 1225605356 /nfs/dbraw/zinc/60/53/56/1225605356.db2.gz WSDKXGNOWLJRJT-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733760 1225605359 /nfs/dbraw/zinc/60/53/59/1225605359.db2.gz WSDKXGNOWLJRJT-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)COc1ccccc1OC ZINC000305688139 1216975768 /nfs/dbraw/zinc/97/57/68/1216975768.db2.gz PHWVJQXCRQQIBO-CVEARBPZSA-N 2 1 348.491 2.099 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411343 1217179632 /nfs/dbraw/zinc/17/96/32/1217179632.db2.gz LSVQDLHNSSXCKV-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411343 1217179633 /nfs/dbraw/zinc/17/96/33/1217179633.db2.gz LSVQDLHNSSXCKV-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411343 1217179635 /nfs/dbraw/zinc/17/96/35/1217179635.db2.gz LSVQDLHNSSXCKV-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961439169 1217190690 /nfs/dbraw/zinc/19/06/90/1217190690.db2.gz FTYRAUCKKCASHJ-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961439169 1217190691 /nfs/dbraw/zinc/19/06/91/1217190691.db2.gz FTYRAUCKKCASHJ-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961439169 1217190693 /nfs/dbraw/zinc/19/06/93/1217190693.db2.gz FTYRAUCKKCASHJ-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315206 1217507850 /nfs/dbraw/zinc/50/78/50/1217507850.db2.gz RJMNMFRHTSNYKX-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315206 1217507853 /nfs/dbraw/zinc/50/78/53/1217507853.db2.gz RJMNMFRHTSNYKX-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963315206 1217507856 /nfs/dbraw/zinc/50/78/56/1217507856.db2.gz RJMNMFRHTSNYKX-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000963320477 1217513798 /nfs/dbraw/zinc/51/37/98/1217513798.db2.gz BXDIMODCXBTGNI-YJBOKZPZSA-N 2 1 346.475 2.239 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000963320477 1217513802 /nfs/dbraw/zinc/51/38/02/1217513802.db2.gz BXDIMODCXBTGNI-YJBOKZPZSA-N 2 1 346.475 2.239 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000963320475 1217513879 /nfs/dbraw/zinc/51/38/79/1217513879.db2.gz BXDIMODCXBTGNI-MAUKXSAKSA-N 2 1 346.475 2.239 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000963320475 1217513883 /nfs/dbraw/zinc/51/38/83/1217513883.db2.gz BXDIMODCXBTGNI-MAUKXSAKSA-N 2 1 346.475 2.239 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963327951 1217523018 /nfs/dbraw/zinc/52/30/18/1217523018.db2.gz JJJDNCJMVGSCKQ-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000968954588 1221698992 /nfs/dbraw/zinc/69/89/92/1221698992.db2.gz MHOSSDYGHBTGDU-MOPGFXCFSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000968954588 1221698995 /nfs/dbraw/zinc/69/89/95/1221698995.db2.gz MHOSSDYGHBTGDU-MOPGFXCFSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968954429 1221699449 /nfs/dbraw/zinc/69/94/49/1221699449.db2.gz KCBWYSBFMMEYFA-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968954429 1221699454 /nfs/dbraw/zinc/69/94/54/1221699454.db2.gz KCBWYSBFMMEYFA-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018938203 1228552263 /nfs/dbraw/zinc/55/22/63/1228552263.db2.gz DBNGOCYRFNMSSJ-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001020214471 1229559165 /nfs/dbraw/zinc/55/91/65/1229559165.db2.gz UQXWAZWIPIQTPF-FHWLQOOXSA-N 2 1 340.471 2.169 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001038705782 1229986858 /nfs/dbraw/zinc/98/68/58/1229986858.db2.gz RSBQJXVSTCIYDS-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001038705782 1229986861 /nfs/dbraw/zinc/98/68/61/1229986861.db2.gz RSBQJXVSTCIYDS-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCCC2CCC2)CC1 ZINC001039041398 1230257153 /nfs/dbraw/zinc/25/71/53/1230257153.db2.gz CGTIVHVUOULLSG-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039128135 1230336664 /nfs/dbraw/zinc/33/66/64/1230336664.db2.gz VGKWAUCWTVGLSF-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039128135 1230336666 /nfs/dbraw/zinc/33/66/66/1230336666.db2.gz VGKWAUCWTVGLSF-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039128135 1230336670 /nfs/dbraw/zinc/33/66/70/1230336670.db2.gz VGKWAUCWTVGLSF-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137923 1230351579 /nfs/dbraw/zinc/35/15/79/1230351579.db2.gz LBHXBNCMSIONMP-RBUKOAKNSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137923 1230351583 /nfs/dbraw/zinc/35/15/83/1230351583.db2.gz LBHXBNCMSIONMP-RBUKOAKNSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137923 1230351586 /nfs/dbraw/zinc/35/15/86/1230351586.db2.gz LBHXBNCMSIONMP-RBUKOAKNSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001039138918 1230353056 /nfs/dbraw/zinc/35/30/56/1230353056.db2.gz YRXSUMACSDDFIH-PMACEKPBSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039138918 1230353058 /nfs/dbraw/zinc/35/30/58/1230353058.db2.gz YRXSUMACSDDFIH-PMACEKPBSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039138918 1230353062 /nfs/dbraw/zinc/35/30/62/1230353062.db2.gz YRXSUMACSDDFIH-PMACEKPBSA-N 2 1 345.531 2.158 20 30 EEEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163410 1230385455 /nfs/dbraw/zinc/38/54/55/1230385455.db2.gz CLDYDCVUQXPINX-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163410 1230385459 /nfs/dbraw/zinc/38/54/59/1230385459.db2.gz CLDYDCVUQXPINX-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163410 1230385461 /nfs/dbraw/zinc/38/54/61/1230385461.db2.gz CLDYDCVUQXPINX-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224914 1230456259 /nfs/dbraw/zinc/45/62/59/1230456259.db2.gz KSMMDXBAURBPJL-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039249562 1230486071 /nfs/dbraw/zinc/48/60/71/1230486071.db2.gz CADDMEAYNSHBBB-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039476324 1230639753 /nfs/dbraw/zinc/63/97/53/1230639753.db2.gz MYAJRTFITRIPOW-SJORKVTESA-N 2 1 343.471 2.434 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039476324 1230639755 /nfs/dbraw/zinc/63/97/55/1230639755.db2.gz MYAJRTFITRIPOW-SJORKVTESA-N 2 1 343.471 2.434 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC[C@@H](C)F)CC1 ZINC001040014157 1230964015 /nfs/dbraw/zinc/96/40/15/1230964015.db2.gz FJGZYTFWBXSRNP-QRQLOZEOSA-N 2 1 349.494 2.145 20 30 EEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040207299 1231103242 /nfs/dbraw/zinc/10/32/42/1231103242.db2.gz CCNBRGUZMRQOHS-QUCCMNQESA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040257206 1231136538 /nfs/dbraw/zinc/13/65/38/1231136538.db2.gz CRJNGUKDYVEEDN-FQEVSTJZSA-N 2 1 343.515 2.200 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313571 1231164604 /nfs/dbraw/zinc/16/46/04/1231164604.db2.gz LLBORBJCBRMQAU-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)CC1 ZINC001040543311 1231284378 /nfs/dbraw/zinc/28/43/78/1231284378.db2.gz OENFPPWJAZSJNP-OAQYLSRUSA-N 2 1 343.515 2.056 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041421871 1231540118 /nfs/dbraw/zinc/54/01/18/1231540118.db2.gz LAAXFHRXVNXXEP-HXUWFJFHSA-N 2 1 336.439 2.204 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041681032 1231648258 /nfs/dbraw/zinc/64/82/58/1231648258.db2.gz WSUUCGMQFNOMSS-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041681032 1231648259 /nfs/dbraw/zinc/64/82/59/1231648259.db2.gz WSUUCGMQFNOMSS-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725200 1231663397 /nfs/dbraw/zinc/66/33/97/1231663397.db2.gz LKCIEZNBXAJBGA-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042112467 1231897434 /nfs/dbraw/zinc/89/74/34/1231897434.db2.gz RJSCJKADZFXVKP-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042304449 1232017088 /nfs/dbraw/zinc/01/70/88/1232017088.db2.gz NXPGUOWEOJQEKA-IEBWSBKVSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042365010 1232047557 /nfs/dbraw/zinc/04/75/57/1232047557.db2.gz ICOOADUQSUKFOI-QUCCMNQESA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CC4CCC4)[C@@H]3C2)CC1 ZINC001042367608 1232049524 /nfs/dbraw/zinc/04/95/24/1232049524.db2.gz ITAJCGSTYKOAPN-AZUAARDMSA-N 2 1 343.515 2.055 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001045092997 1233497654 /nfs/dbraw/zinc/49/76/54/1233497654.db2.gz JSBJCAHNQYRLRK-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001045199861 1233575809 /nfs/dbraw/zinc/57/58/09/1233575809.db2.gz LJCJGVGSZFWWPA-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001045557111 1233816293 /nfs/dbraw/zinc/81/62/93/1233816293.db2.gz UNSCJEWRMSXNPU-MRXNPFEDSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045938698 1234194045 /nfs/dbraw/zinc/19/40/45/1234194045.db2.gz JHQCQMQSWCZUDQ-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938698 1234194048 /nfs/dbraw/zinc/19/40/48/1234194048.db2.gz JHQCQMQSWCZUDQ-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938698 1234194050 /nfs/dbraw/zinc/19/40/50/1234194050.db2.gz JHQCQMQSWCZUDQ-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045941297 1234198861 /nfs/dbraw/zinc/19/88/61/1234198861.db2.gz IPSLVIXIPAJONW-FPOVZHCZSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046620153 1235003859 /nfs/dbraw/zinc/00/38/59/1235003859.db2.gz JUVZCJXVOKEMEM-LPHOPBHVSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046620153 1235003862 /nfs/dbraw/zinc/00/38/62/1235003862.db2.gz JUVZCJXVOKEMEM-LPHOPBHVSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001046951376 1235347048 /nfs/dbraw/zinc/34/70/48/1235347048.db2.gz BLOAKWMZQLOHIQ-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046951376 1235347052 /nfs/dbraw/zinc/34/70/52/1235347052.db2.gz BLOAKWMZQLOHIQ-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046953324 1235349304 /nfs/dbraw/zinc/34/93/04/1235349304.db2.gz CTLKSIUOIOTAMD-AWEZNQCLSA-N 2 1 334.370 2.207 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047245279 1235737317 /nfs/dbraw/zinc/73/73/17/1235737317.db2.gz YDRLSTJWILTOEI-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096313548 1237316298 /nfs/dbraw/zinc/31/62/98/1237316298.db2.gz JWSOUOGTFJIDEP-XWSJACJDSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096313548 1237316303 /nfs/dbraw/zinc/31/63/03/1237316303.db2.gz JWSOUOGTFJIDEP-XWSJACJDSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096313548 1237316307 /nfs/dbraw/zinc/31/63/07/1237316307.db2.gz JWSOUOGTFJIDEP-XWSJACJDSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048539504 1237913829 /nfs/dbraw/zinc/91/38/29/1237913829.db2.gz PZHCZMUGAZDXHE-IYWMVGAKSA-N 2 1 345.531 2.489 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048539504 1237913837 /nfs/dbraw/zinc/91/38/37/1237913837.db2.gz PZHCZMUGAZDXHE-IYWMVGAKSA-N 2 1 345.531 2.489 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048539504 1237913845 /nfs/dbraw/zinc/91/38/45/1237913845.db2.gz PZHCZMUGAZDXHE-IYWMVGAKSA-N 2 1 345.531 2.489 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887794 1239147159 /nfs/dbraw/zinc/14/71/59/1239147159.db2.gz DQMSCTAISVSZME-RDGPPVDQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048887794 1239147161 /nfs/dbraw/zinc/14/71/61/1239147161.db2.gz DQMSCTAISVSZME-RDGPPVDQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048887794 1239147168 /nfs/dbraw/zinc/14/71/68/1239147168.db2.gz DQMSCTAISVSZME-RDGPPVDQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001000775931 1240918034 /nfs/dbraw/zinc/91/80/34/1240918034.db2.gz HTGOAUFVTVJWQR-KRWDZBQOSA-N 2 1 328.460 2.475 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001000775931 1240918039 /nfs/dbraw/zinc/91/80/39/1240918039.db2.gz HTGOAUFVTVJWQR-KRWDZBQOSA-N 2 1 328.460 2.475 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001049561396 1241422774 /nfs/dbraw/zinc/42/27/74/1241422774.db2.gz KPOTWIZOTNHLMT-KFKAGJAMSA-N 2 1 342.487 2.464 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049662912 1241809629 /nfs/dbraw/zinc/80/96/29/1241809629.db2.gz JRTKFOIZMWYTOM-GBESFXJTSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049678461 1241853024 /nfs/dbraw/zinc/85/30/24/1241853024.db2.gz ZPRHLXVQOQPYIF-SJORKVTESA-N 2 1 329.444 2.043 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049678461 1241853027 /nfs/dbraw/zinc/85/30/27/1241853027.db2.gz ZPRHLXVQOQPYIF-SJORKVTESA-N 2 1 329.444 2.043 20 30 EEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073462690 1242507034 /nfs/dbraw/zinc/50/70/34/1242507034.db2.gz XAWPGXYGJWIVHI-SFHVURJKSA-N 2 1 327.472 2.400 20 30 EEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073462690 1242507039 /nfs/dbraw/zinc/50/70/39/1242507039.db2.gz XAWPGXYGJWIVHI-SFHVURJKSA-N 2 1 327.472 2.400 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCC(=C)C)CC1 ZINC001049909352 1242657313 /nfs/dbraw/zinc/65/73/13/1242657313.db2.gz AHDSYULJNQZMFQ-PMACEKPBSA-N 2 1 343.515 2.363 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001050096593 1242858145 /nfs/dbraw/zinc/85/81/45/1242858145.db2.gz QVLDQVNVVYZVRE-QFBILLFUSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001050096593 1242858161 /nfs/dbraw/zinc/85/81/61/1242858161.db2.gz QVLDQVNVVYZVRE-QFBILLFUSA-N 2 1 342.487 2.261 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)CC1 ZINC001050661820 1244069612 /nfs/dbraw/zinc/06/96/12/1244069612.db2.gz CUVJXRQIWLTAIF-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001101547523 1245951088 /nfs/dbraw/zinc/95/10/88/1245951088.db2.gz FHMPBMCWOBCSMN-GOSISDBHSA-N 2 1 347.547 2.452 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001101582239 1245990158 /nfs/dbraw/zinc/99/01/58/1245990158.db2.gz FQBZVXQPQOJIEP-RBUKOAKNSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC=C)CC1 ZINC001111456626 1246168403 /nfs/dbraw/zinc/16/84/03/1246168403.db2.gz MZBDZRXXLMPKMX-QRVBRYPASA-N 2 1 329.488 2.019 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)CO2 ZINC001053902659 1246989104 /nfs/dbraw/zinc/98/91/04/1246989104.db2.gz GXHHVXZDEHJRKG-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)CO2 ZINC001053902659 1246989110 /nfs/dbraw/zinc/98/91/10/1246989110.db2.gz GXHHVXZDEHJRKG-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245602 1247860631 /nfs/dbraw/zinc/86/06/31/1247860631.db2.gz WNECTLUGHDKEDB-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](C(C)C)C2 ZINC001054267657 1247944141 /nfs/dbraw/zinc/94/41/41/1247944141.db2.gz CWPPCSNREVFTGV-IBGZPJMESA-N 2 1 325.456 2.124 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](C(C)C)C2 ZINC001054267657 1247944150 /nfs/dbraw/zinc/94/41/50/1247944150.db2.gz CWPPCSNREVFTGV-IBGZPJMESA-N 2 1 325.456 2.124 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](C(C)C)C2 ZINC001054267657 1247944160 /nfs/dbraw/zinc/94/41/60/1247944160.db2.gz CWPPCSNREVFTGV-IBGZPJMESA-N 2 1 325.456 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](C(C)C)C2 ZINC001054267657 1247944173 /nfs/dbraw/zinc/94/41/73/1247944173.db2.gz CWPPCSNREVFTGV-IBGZPJMESA-N 2 1 325.456 2.124 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@@H]1C ZINC001071828406 1254690479 /nfs/dbraw/zinc/69/04/79/1254690479.db2.gz NZNOMLUSFNYZIB-JKSUJKDBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@@H]1C ZINC001071828406 1254690490 /nfs/dbraw/zinc/69/04/90/1254690490.db2.gz NZNOMLUSFNYZIB-JKSUJKDBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324214 1280812670 /nfs/dbraw/zinc/81/26/70/1280812670.db2.gz IXPQXMJTXCKAKZ-JKSUJKDBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324214 1280812681 /nfs/dbraw/zinc/81/26/81/1280812681.db2.gz IXPQXMJTXCKAKZ-JKSUJKDBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644898 1280992512 /nfs/dbraw/zinc/99/25/12/1280992512.db2.gz ONNFOLHITMBHOE-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001190644898 1280992515 /nfs/dbraw/zinc/99/25/15/1280992515.db2.gz ONNFOLHITMBHOE-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001190644898 1280992518 /nfs/dbraw/zinc/99/25/18/1280992518.db2.gz ONNFOLHITMBHOE-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001071063269 1286745769 /nfs/dbraw/zinc/74/57/69/1286745769.db2.gz MYRITCGIJUOSCL-GGPKGHCWSA-N 2 1 349.519 2.033 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001201321421 1289478972 /nfs/dbraw/zinc/47/89/72/1289478972.db2.gz KHZNNCMUCNWADF-UHFFFAOYSA-N 2 1 342.487 2.369 20 30 EEEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060176 1289893022 /nfs/dbraw/zinc/89/30/22/1289893022.db2.gz TYMOERPUAWEXOR-ROUUACIJSA-N 2 1 339.524 2.116 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001220600228 1298468975 /nfs/dbraw/zinc/46/89/75/1298468975.db2.gz FLUWJHHKGBGMQU-ROUUACIJSA-N 2 1 336.524 2.469 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001220868613 1298566194 /nfs/dbraw/zinc/56/61/94/1298566194.db2.gz MDOJSOJTNMWWIL-CEXWTWQISA-N 2 1 327.472 2.494 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099349866 1299072361 /nfs/dbraw/zinc/07/23/61/1299072361.db2.gz UREXDHBNDQCLPS-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099349866 1299072370 /nfs/dbraw/zinc/07/23/70/1299072370.db2.gz UREXDHBNDQCLPS-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222099057 1299352385 /nfs/dbraw/zinc/35/23/85/1299352385.db2.gz SPSTWKIOVMPCCA-RTBURBONSA-N 2 1 327.472 2.227 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222099057 1299352396 /nfs/dbraw/zinc/35/23/96/1299352396.db2.gz SPSTWKIOVMPCCA-RTBURBONSA-N 2 1 327.472 2.227 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222099057 1299352409 /nfs/dbraw/zinc/35/24/09/1299352409.db2.gz SPSTWKIOVMPCCA-RTBURBONSA-N 2 1 327.472 2.227 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222099057 1299352424 /nfs/dbraw/zinc/35/24/24/1299352424.db2.gz SPSTWKIOVMPCCA-RTBURBONSA-N 2 1 327.472 2.227 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899545 1299473548 /nfs/dbraw/zinc/47/35/48/1299473548.db2.gz VHLWFEJKMLUSRB-DLBZAZTESA-N 2 1 341.540 2.239 20 30 EEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899545 1299473557 /nfs/dbraw/zinc/47/35/57/1299473557.db2.gz VHLWFEJKMLUSRB-DLBZAZTESA-N 2 1 341.540 2.239 20 30 EEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099899545 1299473566 /nfs/dbraw/zinc/47/35/66/1299473566.db2.gz VHLWFEJKMLUSRB-DLBZAZTESA-N 2 1 341.540 2.239 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189655 1300529984 /nfs/dbraw/zinc/52/99/84/1300529984.db2.gz FHXGDTPYAVGYSE-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189655 1300529991 /nfs/dbraw/zinc/52/99/91/1300529991.db2.gz FHXGDTPYAVGYSE-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189655 1300530002 /nfs/dbraw/zinc/53/00/02/1300530002.db2.gz FHXGDTPYAVGYSE-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001224857005 1300760082 /nfs/dbraw/zinc/76/00/82/1300760082.db2.gz FWSYFKJRGAPKDP-BZSNNMDCSA-N 2 1 348.535 2.140 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001224857005 1300760087 /nfs/dbraw/zinc/76/00/87/1300760087.db2.gz FWSYFKJRGAPKDP-BZSNNMDCSA-N 2 1 348.535 2.140 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC/C=C\CC ZINC001226860914 1301587683 /nfs/dbraw/zinc/58/76/83/1301587683.db2.gz UKDQIDJZDPGNTA-GJGSYKPXSA-N 2 1 331.504 2.457 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC/C=C\CC ZINC001226860914 1301587692 /nfs/dbraw/zinc/58/76/92/1301587692.db2.gz UKDQIDJZDPGNTA-GJGSYKPXSA-N 2 1 331.504 2.457 20 30 EEEDMP C=CCOCC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001227464561 1301838430 /nfs/dbraw/zinc/83/84/30/1301838430.db2.gz MAAULHWKUYLHKT-MRXNPFEDSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cccnc1 ZINC001230778879 1303451306 /nfs/dbraw/zinc/45/13/06/1303451306.db2.gz YSIKGCOCRIOVSD-UHFFFAOYSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CC[NH+](CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230781290 1303452000 /nfs/dbraw/zinc/45/20/00/1303452000.db2.gz INPHABKJQSVHDT-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230781290 1303452004 /nfs/dbraw/zinc/45/20/04/1303452004.db2.gz INPHABKJQSVHDT-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230781290 1303452010 /nfs/dbraw/zinc/45/20/10/1303452010.db2.gz INPHABKJQSVHDT-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)C[N@H+](C)C(C)C)Cc1cccnc1 ZINC001230932368 1303551988 /nfs/dbraw/zinc/55/19/88/1303551988.db2.gz UHNZNMAASGETCR-UHFFFAOYSA-N 2 1 332.492 2.306 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)C[NH+](C)C(C)C)Cc1cccnc1 ZINC001230932368 1303551992 /nfs/dbraw/zinc/55/19/92/1303551992.db2.gz UHNZNMAASGETCR-UHFFFAOYSA-N 2 1 332.492 2.306 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)C[NH+](C)C(C)C)Cc1cccnc1 ZINC001230932368 1303551996 /nfs/dbraw/zinc/55/19/96/1303551996.db2.gz UHNZNMAASGETCR-UHFFFAOYSA-N 2 1 332.492 2.306 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001235280402 1305176171 /nfs/dbraw/zinc/17/61/71/1305176171.db2.gz JJUKMNLLXIDJNV-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001155314320 1317548147 /nfs/dbraw/zinc/54/81/47/1317548147.db2.gz UOOUOURCKMYKLH-HZPDHXFCSA-N 2 1 345.915 2.066 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423414 1309526217 /nfs/dbraw/zinc/52/62/17/1309526217.db2.gz UHGVFZPLOCBKAB-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP N#C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CCN1 ZINC001246942429 1310473628 /nfs/dbraw/zinc/47/36/28/1310473628.db2.gz LIILQRAIDPFIEA-OALUTQOASA-N 2 1 330.451 2.271 20 30 EEEDMP C=CCC[C@H]([NH3+])c1nc(-c2cccc(N3CC[NH+](C)CC3)c2)no1 ZINC001247622610 1310652614 /nfs/dbraw/zinc/65/26/14/1310652614.db2.gz ONZSGMFMICWRLZ-INIZCTEOSA-N 2 1 327.432 2.454 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150047294 1316137931 /nfs/dbraw/zinc/13/79/31/1316137931.db2.gz JELDJLQKCISFJA-KRWDZBQOSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464524 1317144877 /nfs/dbraw/zinc/14/48/77/1317144877.db2.gz OCQDNDFACZVNFL-QGZVFWFLSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001155314320 1317548140 /nfs/dbraw/zinc/54/81/40/1317548140.db2.gz UOOUOURCKMYKLH-HZPDHXFCSA-N 2 1 345.915 2.066 20 30 EEEDMP N#Cc1cnc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC001254053330 1317992805 /nfs/dbraw/zinc/99/28/05/1317992805.db2.gz LYDOUBSILGUVPN-UHFFFAOYSA-N 2 1 342.468 2.131 20 30 EEEDMP COC(=O)[C@@H](CCC[NH3+])[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254344906 1318049250 /nfs/dbraw/zinc/04/92/50/1318049250.db2.gz HUABLCWIYRJOMI-TVRKMHQQSA-N 2 1 347.434 2.400 20 30 EEEDMP N#C[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001254665996 1318162941 /nfs/dbraw/zinc/16/29/41/1318162941.db2.gz SNKBDDIAXKSMBE-ZGXWSNOMSA-N 2 1 340.471 2.297 20 30 EEEDMP N#C[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001254665996 1318162948 /nfs/dbraw/zinc/16/29/48/1318162948.db2.gz SNKBDDIAXKSMBE-ZGXWSNOMSA-N 2 1 340.471 2.297 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001159328206 1319741269 /nfs/dbraw/zinc/74/12/69/1319741269.db2.gz QTKCYICWJQSKQJ-GOSISDBHSA-N 2 1 346.450 2.168 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001160209817 1320099919 /nfs/dbraw/zinc/09/99/19/1320099919.db2.gz XMQBOZBVHSKXCK-KSSFIOAISA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001160209817 1320099925 /nfs/dbraw/zinc/09/99/25/1320099925.db2.gz XMQBOZBVHSKXCK-KSSFIOAISA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC001160209816 1320100474 /nfs/dbraw/zinc/10/04/74/1320100474.db2.gz XMQBOZBVHSKXCK-KDOFPFPSSA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC001160209816 1320100478 /nfs/dbraw/zinc/10/04/78/1320100478.db2.gz XMQBOZBVHSKXCK-KDOFPFPSSA-N 2 1 349.425 2.219 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160352235 1320140832 /nfs/dbraw/zinc/14/08/32/1320140832.db2.gz DWASSHGGPYNOBN-INIZCTEOSA-N 2 1 325.884 2.218 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160352235 1320140837 /nfs/dbraw/zinc/14/08/37/1320140837.db2.gz DWASSHGGPYNOBN-INIZCTEOSA-N 2 1 325.884 2.218 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360323 1320143479 /nfs/dbraw/zinc/14/34/79/1320143479.db2.gz OVJXZIYYQYJFQR-LJQANCHMSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160360323 1320143483 /nfs/dbraw/zinc/14/34/83/1320143483.db2.gz OVJXZIYYQYJFQR-LJQANCHMSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160360323 1320143488 /nfs/dbraw/zinc/14/34/88/1320143488.db2.gz OVJXZIYYQYJFQR-LJQANCHMSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986755 1320344383 /nfs/dbraw/zinc/34/43/83/1320344383.db2.gz VQRVFGWOMYTTPF-LJQANCHMSA-N 2 1 331.504 2.270 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986755 1320344389 /nfs/dbraw/zinc/34/43/89/1320344389.db2.gz VQRVFGWOMYTTPF-LJQANCHMSA-N 2 1 331.504 2.270 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986755 1320344394 /nfs/dbraw/zinc/34/43/94/1320344394.db2.gz VQRVFGWOMYTTPF-LJQANCHMSA-N 2 1 331.504 2.270 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161207529 1320420028 /nfs/dbraw/zinc/42/00/28/1320420028.db2.gz VICFPJKBTQLOLD-XJKSGUPXSA-N 2 1 325.884 2.075 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161207529 1320420032 /nfs/dbraw/zinc/42/00/32/1320420032.db2.gz VICFPJKBTQLOLD-XJKSGUPXSA-N 2 1 325.884 2.075 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207529 1320420034 /nfs/dbraw/zinc/42/00/34/1320420034.db2.gz VICFPJKBTQLOLD-XJKSGUPXSA-N 2 1 325.884 2.075 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207529 1320420039 /nfs/dbraw/zinc/42/00/39/1320420039.db2.gz VICFPJKBTQLOLD-XJKSGUPXSA-N 2 1 325.884 2.075 20 30 EEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001161478603 1320512953 /nfs/dbraw/zinc/51/29/53/1320512953.db2.gz TWNFBTQWCSBGCS-UHFFFAOYSA-N 2 1 349.519 2.203 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001161478603 1320512955 /nfs/dbraw/zinc/51/29/55/1320512955.db2.gz TWNFBTQWCSBGCS-UHFFFAOYSA-N 2 1 349.519 2.203 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)CCC ZINC001162987796 1321006089 /nfs/dbraw/zinc/00/60/89/1321006089.db2.gz XWHGYZOECBMVDO-UHFFFAOYSA-N 2 1 329.488 2.012 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531823 1321409620 /nfs/dbraw/zinc/40/96/20/1321409620.db2.gz TXJIJSWLXZYCKU-CVEARBPZSA-N 2 1 339.911 2.489 20 30 EEEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485133 1321533772 /nfs/dbraw/zinc/53/37/72/1321533772.db2.gz NIEMRRSTXWXHPG-GOSISDBHSA-N 2 1 331.504 2.293 20 30 EEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001166869541 1321805193 /nfs/dbraw/zinc/80/51/93/1321805193.db2.gz CRMRVUJGUZSDFG-MRXNPFEDSA-N 2 1 330.476 2.206 20 30 EEEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)CC1 ZINC001276477161 1322236860 /nfs/dbraw/zinc/23/68/60/1322236860.db2.gz DSAPURTUZTYCMU-AQNXPRMDSA-N 2 1 333.520 2.236 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205419805 1323123967 /nfs/dbraw/zinc/12/39/67/1323123967.db2.gz YXXAOEDLJUUTMZ-ZWKOTPCHSA-N 2 1 345.462 2.073 20 30 EEEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869114 1323646635 /nfs/dbraw/zinc/64/66/35/1323646635.db2.gz SNTWGCVDTTVMHH-IBGZPJMESA-N 2 1 327.472 2.141 20 30 EEEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc(C#N)n(C)c1)C2 ZINC001207104351 1323851492 /nfs/dbraw/zinc/85/14/92/1323851492.db2.gz BSPLVYTYVSLRID-QUCCMNQESA-N 2 1 342.487 2.077 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209277181 1324880776 /nfs/dbraw/zinc/88/07/76/1324880776.db2.gz HHTRDVYHCWCINK-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001210494850 1325310411 /nfs/dbraw/zinc/31/04/11/1325310411.db2.gz YFGQJNSBABSUMF-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210645833 1325365145 /nfs/dbraw/zinc/36/51/45/1325365145.db2.gz UZHBKAIAWIKHOY-RTBURBONSA-N 2 1 327.472 2.283 20 30 EEEDMP C[NH+](C)CCCNC(=S)N[NH+]=Cc1ccc(N2CCCC2)cc1 ZINC001318359263 1332516219 /nfs/dbraw/zinc/51/62/19/1332516219.db2.gz IZEDAUFZDUVBSD-UHFFFAOYSA-N 2 1 333.505 2.037 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCc2cccc(C[N@@H+](C)CC)c2)C1 ZINC001331376668 1335005242 /nfs/dbraw/zinc/00/52/42/1335005242.db2.gz XYHQMLQXIVPVEO-LJQANCHMSA-N 2 1 342.487 2.035 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCc2cccc(C[N@H+](C)CC)c2)C1 ZINC001331376668 1335005244 /nfs/dbraw/zinc/00/52/44/1335005244.db2.gz XYHQMLQXIVPVEO-LJQANCHMSA-N 2 1 342.487 2.035 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cccc(C[NH+](C)CC)c2)C1 ZINC001331376668 1335005245 /nfs/dbraw/zinc/00/52/45/1335005245.db2.gz XYHQMLQXIVPVEO-LJQANCHMSA-N 2 1 342.487 2.035 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(C[NH+](C)CC)c2)C1 ZINC001331376668 1335005247 /nfs/dbraw/zinc/00/52/47/1335005247.db2.gz XYHQMLQXIVPVEO-LJQANCHMSA-N 2 1 342.487 2.035 20 30 EEEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001200644835 1338493536 /nfs/dbraw/zinc/49/35/36/1338493536.db2.gz RTVUAKMDSMLPMC-INIZCTEOSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2cnc[nH]2)CCCO1 ZINC001200653243 1338502831 /nfs/dbraw/zinc/50/28/31/1338502831.db2.gz HDOFVMVFMSYTKJ-SFHVURJKSA-N 2 1 348.491 2.296 20 30 EEEDMP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC001580069576 1344462978 /nfs/dbraw/zinc/46/29/78/1344462978.db2.gz DIKULRBJHSWCBH-CABCVRRESA-N 2 1 346.862 2.472 20 30 EEEDMP C=CCOCC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900778 1368574656 /nfs/dbraw/zinc/57/46/56/1368574656.db2.gz REUXKFSFVFUMMX-KRWDZBQOSA-N 2 1 348.491 2.134 20 30 EEEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900778 1368574662 /nfs/dbraw/zinc/57/46/62/1368574662.db2.gz REUXKFSFVFUMMX-KRWDZBQOSA-N 2 1 348.491 2.134 20 30 EEEDMP CC#CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198767215 1368642470 /nfs/dbraw/zinc/64/24/70/1368642470.db2.gz MQHQWVUBMPOUBP-MJGOQNOKSA-N 2 1 345.487 2.052 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071940071 1370583489 /nfs/dbraw/zinc/58/34/89/1370583489.db2.gz VLVIJBAMAWQJTE-ZBFHGGJFSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071940071 1370583492 /nfs/dbraw/zinc/58/34/92/1370583492.db2.gz VLVIJBAMAWQJTE-ZBFHGGJFSA-N 2 1 325.416 2.036 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC001369400069 1374531410 /nfs/dbraw/zinc/53/14/10/1374531410.db2.gz KMCRYVNQIJCLGM-YOEHRIQHSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1ccccc1C#N ZINC001377364892 1379170492 /nfs/dbraw/zinc/17/04/92/1379170492.db2.gz DROSOOAJVQDYTH-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1ccccc1C#N ZINC001377364892 1379170494 /nfs/dbraw/zinc/17/04/94/1379170494.db2.gz DROSOOAJVQDYTH-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)Cc1ccccc1C#N ZINC001377364892 1379170495 /nfs/dbraw/zinc/17/04/95/1379170495.db2.gz DROSOOAJVQDYTH-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)Cc1ccccc1C#N ZINC001377364892 1379170497 /nfs/dbraw/zinc/17/04/97/1379170497.db2.gz DROSOOAJVQDYTH-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001381621190 1381693970 /nfs/dbraw/zinc/69/39/70/1381693970.db2.gz GNHCORGWGHFRBU-KBXCAEBGSA-N 2 1 348.466 2.220 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001381621190 1381693974 /nfs/dbraw/zinc/69/39/74/1381693974.db2.gz GNHCORGWGHFRBU-KBXCAEBGSA-N 2 1 348.466 2.220 20 30 EEEDMP C=C(Br)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001391315747 1389245426 /nfs/dbraw/zinc/24/54/26/1389245426.db2.gz HAMTYLMYZOGRJT-KGLIPLIRSA-N 2 1 346.313 2.063 20 30 EEEDMP C=C(Br)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001391315747 1389245432 /nfs/dbraw/zinc/24/54/32/1389245432.db2.gz HAMTYLMYZOGRJT-KGLIPLIRSA-N 2 1 346.313 2.063 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCCC(C)C)C2)CC1 ZINC001753450680 1406743356 /nfs/dbraw/zinc/74/33/56/1406743356.db2.gz VRCAHQLWJBKYSE-IBGZPJMESA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2C)CC1 ZINC001755328892 1407327195 /nfs/dbraw/zinc/32/71/95/1407327195.db2.gz UTGYHFJLPDJUKZ-SFHVURJKSA-N 2 1 341.499 2.277 20 30 EEEDMP C#CC[C@@]1(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC001574518130 1403522150 /nfs/dbraw/zinc/52/21/50/1403522150.db2.gz VLPPVQJVIFAXDZ-NRFANRHFSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[C@@]1(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC001574518130 1403522153 /nfs/dbraw/zinc/52/21/53/1403522153.db2.gz VLPPVQJVIFAXDZ-NRFANRHFSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001733811291 1406018143 /nfs/dbraw/zinc/01/81/43/1406018143.db2.gz OLBZDOJHQNRXDK-PMACEKPBSA-N 2 1 341.499 2.139 20 30 EEEDMP C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001733811291 1406018152 /nfs/dbraw/zinc/01/81/52/1406018152.db2.gz OLBZDOJHQNRXDK-PMACEKPBSA-N 2 1 341.499 2.139 20 30 EEEDMP C=C(Br)C[N@H+](CC)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001752190256 1406218667 /nfs/dbraw/zinc/21/86/67/1406218667.db2.gz QBQSMXBBFXTNIH-UHFFFAOYSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[N@@H+](CC)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001752190256 1406218670 /nfs/dbraw/zinc/21/86/70/1406218670.db2.gz QBQSMXBBFXTNIH-UHFFFAOYSA-N 2 1 346.313 2.208 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC#Cc2ccccc2)CC1(C)C ZINC001755414916 1407431499 /nfs/dbraw/zinc/43/14/99/1407431499.db2.gz CPJJGDGIJJRAFA-IBGZPJMESA-N 2 1 341.499 2.207 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[NH+](CC#Cc2ccccc2)CC1(C)C ZINC001755414916 1407431503 /nfs/dbraw/zinc/43/15/03/1407431503.db2.gz CPJJGDGIJJRAFA-IBGZPJMESA-N 2 1 341.499 2.207 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC001755414916 1407431512 /nfs/dbraw/zinc/43/15/12/1407431512.db2.gz CPJJGDGIJJRAFA-IBGZPJMESA-N 2 1 341.499 2.207 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC001755414916 1407431520 /nfs/dbraw/zinc/43/15/20/1407431520.db2.gz CPJJGDGIJJRAFA-IBGZPJMESA-N 2 1 341.499 2.207 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](Cc1ccccc1)[NH2+]C(C)C ZINC001755722291 1407782485 /nfs/dbraw/zinc/78/24/85/1407782485.db2.gz HTDHTOHCVTWCHK-PMACEKPBSA-N 2 1 341.499 2.200 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](Cc1ccccc1)[NH2+]C(C)C ZINC001755722291 1407782489 /nfs/dbraw/zinc/78/24/89/1407782489.db2.gz HTDHTOHCVTWCHK-PMACEKPBSA-N 2 1 341.499 2.200 20 30 EEEDMP CC(C)[N@H+](C)Cc1nn(-c2cc(C#N)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164683032 719601487 /nfs/dbraw/zinc/60/14/87/719601487.db2.gz DJWUYPKCPZKRLB-UHFFFAOYSA-N 2 1 344.850 2.278 20 30 EEEDMP CC(C)[N@@H+](C)Cc1nn(-c2cc(C#N)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164683032 719601502 /nfs/dbraw/zinc/60/15/02/719601502.db2.gz DJWUYPKCPZKRLB-UHFFFAOYSA-N 2 1 344.850 2.278 20 30 EEEDMP C#CCC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167377607 758188962 /nfs/dbraw/zinc/18/89/62/758188962.db2.gz TTZBDAVVAJTHBI-UHFFFAOYSA-N 2 1 330.476 2.296 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001203204119 759840671 /nfs/dbraw/zinc/84/06/71/759840671.db2.gz YYTYVSNWILBJLQ-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104375284 759891166 /nfs/dbraw/zinc/89/11/66/759891166.db2.gz DXAPDGXQWLMYKA-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP COC(=O)[C@H](CS)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001167621827 760754712 /nfs/dbraw/zinc/75/47/12/760754712.db2.gz RZEZBEXZMQIANI-HIFRSBDPSA-N 2 1 348.472 2.234 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001075461690 760936661 /nfs/dbraw/zinc/93/66/61/760936661.db2.gz OPLRYBMWEPMGHA-GOSISDBHSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC000980081061 773836268 /nfs/dbraw/zinc/83/62/68/773836268.db2.gz DCZIGLUWNJOUDZ-XHSDSOJGSA-N 2 1 346.475 2.143 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC000980081061 773836275 /nfs/dbraw/zinc/83/62/75/773836275.db2.gz DCZIGLUWNJOUDZ-XHSDSOJGSA-N 2 1 346.475 2.143 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980147504 773949092 /nfs/dbraw/zinc/94/90/92/773949092.db2.gz NSYRHSBGYMSUTA-OKZBNKHCSA-N 2 1 331.504 2.408 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089657489 774009078 /nfs/dbraw/zinc/00/90/78/774009078.db2.gz VCOATBLMWSJFAT-GOSISDBHSA-N 2 1 345.531 2.493 20 30 EEEDMP CC(C)[C@H](C(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000981896702 778491918 /nfs/dbraw/zinc/49/19/18/778491918.db2.gz XXOLOHSKDVKPAI-LJQANCHMSA-N 2 1 342.487 2.179 20 30 EEEDMP CC(C)[C@H](C(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000981896702 778491923 /nfs/dbraw/zinc/49/19/23/778491923.db2.gz XXOLOHSKDVKPAI-LJQANCHMSA-N 2 1 342.487 2.179 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279995 779518395 /nfs/dbraw/zinc/51/83/95/779518395.db2.gz PPKSAHBXDKNLKE-UKAVVXHISA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279995 779518398 /nfs/dbraw/zinc/51/83/98/779518398.db2.gz PPKSAHBXDKNLKE-UKAVVXHISA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001087441388 779952182 /nfs/dbraw/zinc/95/21/82/779952182.db2.gz FCKOQBDPMHPNKB-DFQSSKMNSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001087441388 779952187 /nfs/dbraw/zinc/95/21/87/779952187.db2.gz FCKOQBDPMHPNKB-DFQSSKMNSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001087441388 779952191 /nfs/dbraw/zinc/95/21/91/779952191.db2.gz FCKOQBDPMHPNKB-DFQSSKMNSA-N 2 1 341.499 2.489 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574986 783887800 /nfs/dbraw/zinc/88/78/00/783887800.db2.gz NLYBNOCOKZPHMV-RBUKOAKNSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574986 783887805 /nfs/dbraw/zinc/88/78/05/783887805.db2.gz NLYBNOCOKZPHMV-RBUKOAKNSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948574986 783887810 /nfs/dbraw/zinc/88/78/10/783887810.db2.gz NLYBNOCOKZPHMV-RBUKOAKNSA-N 2 1 333.520 2.443 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135860362 784648202 /nfs/dbraw/zinc/64/82/02/784648202.db2.gz ATFMZLRKFOBWAA-CABCVRRESA-N 2 1 348.466 2.412 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882901 784700328 /nfs/dbraw/zinc/70/03/28/784700328.db2.gz VMWXJDJDVUDBKK-OLZOCXBDSA-N 2 1 334.302 2.110 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135974409 784920128 /nfs/dbraw/zinc/92/01/28/784920128.db2.gz ORZXYMZITPZJOD-UONOGXRCSA-N 2 1 348.329 2.500 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135977314 784927071 /nfs/dbraw/zinc/92/70/71/784927071.db2.gz SBDQVQVHTCLHOO-CABCVRRESA-N 2 1 348.466 2.412 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CCn3ccnc3)CCC[C@@H]12 ZINC001107491553 787430144 /nfs/dbraw/zinc/43/01/44/787430144.db2.gz FOJNIRDOGYNGDD-NVXWUHKLSA-N 2 1 336.867 2.387 20 30 EEEDMP C=C(Cl)CN1CC[C@@]2(CNC(=O)CCn3ccnc3)CCC[C@@H]12 ZINC001107491553 787430147 /nfs/dbraw/zinc/43/01/47/787430147.db2.gz FOJNIRDOGYNGDD-NVXWUHKLSA-N 2 1 336.867 2.387 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001030024724 788198790 /nfs/dbraw/zinc/19/87/90/788198790.db2.gz OKCQLSUEGLAMCA-RLLQIKCJSA-N 2 1 339.483 2.426 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001127066438 788306448 /nfs/dbraw/zinc/30/64/48/788306448.db2.gz OOTBRBXDTSJYEM-GOSISDBHSA-N 2 1 347.890 2.270 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH2+]C)C2)c(OC)c1 ZINC000923282304 789294272 /nfs/dbraw/zinc/29/42/72/789294272.db2.gz MLISTRXBDRVYKE-MSOLQXFVSA-N 2 1 348.487 2.095 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH2+]C)C2)c(OC)c1 ZINC000923282304 789294278 /nfs/dbraw/zinc/29/42/78/789294278.db2.gz MLISTRXBDRVYKE-MSOLQXFVSA-N 2 1 348.487 2.095 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC001144187765 789363966 /nfs/dbraw/zinc/36/39/66/789363966.db2.gz NMJXTOCNZAMXGY-UHFFFAOYSA-N 2 1 339.487 2.355 20 30 EEEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000923401078 789501381 /nfs/dbraw/zinc/50/13/81/789501381.db2.gz JBPXJIFPQICXMP-QLFBSQMISA-N 2 1 327.350 2.051 20 30 EEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000923401078 789501390 /nfs/dbraw/zinc/50/13/90/789501390.db2.gz JBPXJIFPQICXMP-QLFBSQMISA-N 2 1 327.350 2.051 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCCC1 ZINC001032452750 789815353 /nfs/dbraw/zinc/81/53/53/789815353.db2.gz JHFHPDGTWWZPHS-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCCC1 ZINC001032452750 789815359 /nfs/dbraw/zinc/81/53/59/789815359.db2.gz JHFHPDGTWWZPHS-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCCC1 ZINC001032452750 789815362 /nfs/dbraw/zinc/81/53/62/789815362.db2.gz JHFHPDGTWWZPHS-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCCC1 ZINC001032452750 789815368 /nfs/dbraw/zinc/81/53/68/789815368.db2.gz JHFHPDGTWWZPHS-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114822 790188246 /nfs/dbraw/zinc/18/82/46/790188246.db2.gz IPEQPSBPCWTCID-QYZOEREBSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998021768 791845900 /nfs/dbraw/zinc/84/59/00/791845900.db2.gz HMSKTHLKSFMNDL-OALUTQOASA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001171308510 791854531 /nfs/dbraw/zinc/85/45/31/791854531.db2.gz SWBBFYPPIHDIJA-ROUUACIJSA-N 2 1 339.499 2.488 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001171308510 791854535 /nfs/dbraw/zinc/85/45/35/791854535.db2.gz SWBBFYPPIHDIJA-ROUUACIJSA-N 2 1 339.499 2.488 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C(F)(F)F ZINC000998284397 792463908 /nfs/dbraw/zinc/46/39/08/792463908.db2.gz YJHOWMLSHMJLCM-ZIAGYGMSSA-N 2 1 344.381 2.137 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071293 793534063 /nfs/dbraw/zinc/53/40/63/793534063.db2.gz PIUPERDUOJKZMG-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001168463083 795194350 /nfs/dbraw/zinc/19/43/50/795194350.db2.gz LSBJFOUTKGNLNF-UHFFFAOYSA-N 2 1 327.472 2.018 20 30 EEEDMP C#CCC[NH2+]CC1(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001168463083 795194351 /nfs/dbraw/zinc/19/43/51/795194351.db2.gz LSBJFOUTKGNLNF-UHFFFAOYSA-N 2 1 327.472 2.018 20 30 EEEDMP CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NN2CC[NH+](C)CC2)c1C ZINC000914693167 795344936 /nfs/dbraw/zinc/34/49/36/795344936.db2.gz NNPGJPTVQXRSIY-LJQANCHMSA-N 2 1 331.508 2.171 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NN2CC[NH+](C)CC2)c1C ZINC000914693167 795344942 /nfs/dbraw/zinc/34/49/42/795344942.db2.gz NNPGJPTVQXRSIY-LJQANCHMSA-N 2 1 331.508 2.171 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842524 795425855 /nfs/dbraw/zinc/42/58/55/795425855.db2.gz QKVYPWFIDGEBIM-UXHICEINSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993397135 796540205 /nfs/dbraw/zinc/54/02/05/796540205.db2.gz PSANJQHEAARWEY-HOCLYGCPSA-N 2 1 333.501 2.416 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993397135 796540210 /nfs/dbraw/zinc/54/02/10/796540210.db2.gz PSANJQHEAARWEY-HOCLYGCPSA-N 2 1 333.501 2.416 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1ccccc1 ZINC001081118723 796659248 /nfs/dbraw/zinc/65/92/48/796659248.db2.gz SJYMALPVPQUZFF-OQIJWPOYSA-N 2 1 327.472 2.097 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993617475 796844031 /nfs/dbraw/zinc/84/40/31/796844031.db2.gz CSNPIYMHKHOQLQ-FXAWDEMLSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001832753 797262618 /nfs/dbraw/zinc/26/26/18/797262618.db2.gz HJAMDSBCVRPEIU-KRWDZBQOSA-N 2 1 330.476 2.158 20 30 EEEDMP C[NH+](C)C1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173429347 797453635 /nfs/dbraw/zinc/45/36/35/797453635.db2.gz VHFJELDDECHQSL-UHFFFAOYSA-N 2 1 340.471 2.189 20 30 EEEDMP N#Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3CCC[NH3+])CC2)cc1 ZINC001173429578 797454098 /nfs/dbraw/zinc/45/40/98/797454098.db2.gz ZVQTYRJNCHCSET-UHFFFAOYSA-N 2 1 337.427 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150445501 797967512 /nfs/dbraw/zinc/96/75/12/797967512.db2.gz VXQIXMKUQVJWOA-GOSISDBHSA-N 2 1 348.491 2.145 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150445501 797967516 /nfs/dbraw/zinc/96/75/16/797967516.db2.gz VXQIXMKUQVJWOA-GOSISDBHSA-N 2 1 348.491 2.145 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001085024775 798618118 /nfs/dbraw/zinc/61/81/18/798618118.db2.gz CDAHLMUGXUVAJI-OWCLPIDISA-N 2 1 327.900 2.248 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001085024775 798618121 /nfs/dbraw/zinc/61/81/21/798618121.db2.gz CDAHLMUGXUVAJI-OWCLPIDISA-N 2 1 327.900 2.248 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001177158702 798780376 /nfs/dbraw/zinc/78/03/76/798780376.db2.gz ZHLYAUVUWMGTOY-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001177158702 798780379 /nfs/dbraw/zinc/78/03/79/798780379.db2.gz ZHLYAUVUWMGTOY-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001182472916 801206884 /nfs/dbraw/zinc/20/68/84/801206884.db2.gz KZXGRYOSDMINEY-WOJBJXKFSA-N 2 1 339.483 2.101 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946597841 801807393 /nfs/dbraw/zinc/80/73/93/801807393.db2.gz MLISYBDYZBTMGQ-ZSYWTGECSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946597841 801807398 /nfs/dbraw/zinc/80/73/98/801807398.db2.gz MLISYBDYZBTMGQ-ZSYWTGECSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946597841 801807406 /nfs/dbraw/zinc/80/74/06/801807406.db2.gz MLISYBDYZBTMGQ-ZSYWTGECSA-N 2 1 333.520 2.463 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004451383 802074232 /nfs/dbraw/zinc/07/42/32/802074232.db2.gz PWWDFQDSJHDAQP-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004451383 802074238 /nfs/dbraw/zinc/07/42/38/802074238.db2.gz PWWDFQDSJHDAQP-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004451383 802074244 /nfs/dbraw/zinc/07/42/44/802074244.db2.gz PWWDFQDSJHDAQP-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004458407 802112743 /nfs/dbraw/zinc/11/27/43/802112743.db2.gz LYSQFIACWQFDDZ-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004458407 802112747 /nfs/dbraw/zinc/11/27/47/802112747.db2.gz LYSQFIACWQFDDZ-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004458407 802112753 /nfs/dbraw/zinc/11/27/53/802112753.db2.gz LYSQFIACWQFDDZ-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004457410 802118640 /nfs/dbraw/zinc/11/86/40/802118640.db2.gz KQFSXIIQPIRTIV-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001108073637 802119463 /nfs/dbraw/zinc/11/94/63/802119463.db2.gz ONZZZOJSAFPFJV-LJQANCHMSA-N 2 1 342.443 2.121 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946616201 802174965 /nfs/dbraw/zinc/17/49/65/802174965.db2.gz ZAQLFICINKZOMR-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616201 802174967 /nfs/dbraw/zinc/17/49/67/802174967.db2.gz ZAQLFICINKZOMR-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616201 802174968 /nfs/dbraw/zinc/17/49/68/802174968.db2.gz ZAQLFICINKZOMR-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657806 802679509 /nfs/dbraw/zinc/67/95/09/802679509.db2.gz SMKKIHFZERMJNO-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657806 802679512 /nfs/dbraw/zinc/67/95/12/802679512.db2.gz SMKKIHFZERMJNO-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657806 802679515 /nfs/dbraw/zinc/67/95/15/802679515.db2.gz SMKKIHFZERMJNO-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033163091 802701868 /nfs/dbraw/zinc/70/18/68/802701868.db2.gz YJLTXKDMJUIWDU-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033163091 802701869 /nfs/dbraw/zinc/70/18/69/802701869.db2.gz YJLTXKDMJUIWDU-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033163091 802701870 /nfs/dbraw/zinc/70/18/70/802701870.db2.gz YJLTXKDMJUIWDU-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033163091 802701872 /nfs/dbraw/zinc/70/18/72/802701872.db2.gz YJLTXKDMJUIWDU-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169095977 803608047 /nfs/dbraw/zinc/60/80/47/803608047.db2.gz TVZVGOFPVHJLRY-TVFCKZIOSA-N 2 1 327.472 2.106 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)N(C)C ZINC001115303780 804104377 /nfs/dbraw/zinc/10/43/77/804104377.db2.gz JSAAPSRRQOJLLK-MANSERQUSA-N 2 1 327.472 2.302 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115303780 804104382 /nfs/dbraw/zinc/10/43/82/804104382.db2.gz JSAAPSRRQOJLLK-MANSERQUSA-N 2 1 327.472 2.302 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115303780 804104387 /nfs/dbraw/zinc/10/43/87/804104387.db2.gz JSAAPSRRQOJLLK-MANSERQUSA-N 2 1 327.472 2.302 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001108835779 804579785 /nfs/dbraw/zinc/57/97/85/804579785.db2.gz BKGBGYOIKIBMSH-UFYCRDLUSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001108835779 804579793 /nfs/dbraw/zinc/57/97/93/804579793.db2.gz BKGBGYOIKIBMSH-UFYCRDLUSA-N 2 1 339.483 2.111 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001129417459 810831947 /nfs/dbraw/zinc/83/19/47/810831947.db2.gz OKUOHJMLKXNSLU-KRWDZBQOSA-N 2 1 346.450 2.166 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415348 811604013 /nfs/dbraw/zinc/60/40/13/811604013.db2.gz FSLCKVMDDJRQNR-JKSUJKDBSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130423300 811616440 /nfs/dbraw/zinc/61/64/40/811616440.db2.gz OOTDORQRQCRUGF-RDJZCZTQSA-N 2 1 347.507 2.122 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCOCCOCC[NH3+])cc1 ZINC001170513045 812015162 /nfs/dbraw/zinc/01/51/62/812015162.db2.gz FKWAWWXKASFJGJ-IBGZPJMESA-N 2 1 333.476 2.413 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001437024929 1088820981 /nfs/dbraw/zinc/82/09/81/1088820981.db2.gz VGXGZPVVIMAXGM-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1(C[NH2+]Cc2ccccc2C#N)CCCC1 ZINC001438400550 1090887974 /nfs/dbraw/zinc/88/79/74/1090887974.db2.gz DDIPNHCKCCBXKT-UHFFFAOYSA-N 2 1 342.487 2.419 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001444457017 1099107031 /nfs/dbraw/zinc/10/70/31/1099107031.db2.gz ZFLOZODYQQYABY-RHSMWYFYSA-N 2 1 348.516 2.336 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)Cc2ccccc2C#N)C1 ZINC001494172451 1103639646 /nfs/dbraw/zinc/63/96/46/1103639646.db2.gz PSRVQELAGGZGQV-KRWDZBQOSA-N 2 1 342.487 2.180 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2C#N)C1 ZINC001494172451 1103639653 /nfs/dbraw/zinc/63/96/53/1103639653.db2.gz PSRVQELAGGZGQV-KRWDZBQOSA-N 2 1 342.487 2.180 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2C#N)C1 ZINC001494172451 1103639660 /nfs/dbraw/zinc/63/96/60/1103639660.db2.gz PSRVQELAGGZGQV-KRWDZBQOSA-N 2 1 342.487 2.180 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001499935623 1112547489 /nfs/dbraw/zinc/54/74/89/1112547489.db2.gz ITABUSCUKYYWPN-INIZCTEOSA-N 2 1 345.834 2.214 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000076494036 462868024 /nfs/dbraw/zinc/86/80/24/462868024.db2.gz AIDPREMNSVLHGE-GOSISDBHSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000076494036 462868026 /nfs/dbraw/zinc/86/80/26/462868026.db2.gz AIDPREMNSVLHGE-GOSISDBHSA-N 2 1 339.483 2.065 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCOCc1ccccc1 ZINC000264318451 464294456 /nfs/dbraw/zinc/29/44/56/464294456.db2.gz XAOAMDBZQKZDJC-SFHVURJKSA-N 2 1 332.492 2.372 20 30 EEEDMP C=CCN1CC[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000281405664 464442471 /nfs/dbraw/zinc/44/24/71/464442471.db2.gz QUHZDDKKHLDSPK-KRWDZBQOSA-N 2 1 328.460 2.186 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245829197 464517675 /nfs/dbraw/zinc/51/76/75/464517675.db2.gz GCEXXUHHCQUAOM-IRXDYDNUSA-N 2 1 330.476 2.264 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245829197 464517679 /nfs/dbraw/zinc/51/76/79/464517679.db2.gz GCEXXUHHCQUAOM-IRXDYDNUSA-N 2 1 330.476 2.264 20 30 EEEDMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366354803 465675490 /nfs/dbraw/zinc/67/54/90/465675490.db2.gz NNIBATYJLUPPQX-KRWDZBQOSA-N 2 1 325.416 2.392 20 30 EEEDMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366354803 465675492 /nfs/dbraw/zinc/67/54/92/465675492.db2.gz NNIBATYJLUPPQX-KRWDZBQOSA-N 2 1 325.416 2.392 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000340962801 466469913 /nfs/dbraw/zinc/46/99/13/466469913.db2.gz SVIOCGXGGLNDLF-KZNAEPCWSA-N 2 1 336.524 2.467 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)C(C)C ZINC000367888819 466551041 /nfs/dbraw/zinc/55/10/41/466551041.db2.gz YUNNSYBZGYMZMC-QRVBRYPASA-N 2 1 348.535 2.421 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424181653 466998009 /nfs/dbraw/zinc/99/80/09/466998009.db2.gz ROFNHILNEYBHSX-AEFFLSMTSA-N 2 1 328.460 2.131 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COCc2ccc(OC)cc2)CC1 ZINC000574911873 468132601 /nfs/dbraw/zinc/13/26/01/468132601.db2.gz HFVSPPAPUJTYJA-IBGZPJMESA-N 2 1 348.487 2.203 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000566439196 468151934 /nfs/dbraw/zinc/15/19/34/468151934.db2.gz DFZGZTDMCWLMOU-MRXNPFEDSA-N 2 1 334.508 2.191 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000576391685 468164714 /nfs/dbraw/zinc/16/47/14/468164714.db2.gz VGDJRZXHXLWHSW-MOPGFXCFSA-N 2 1 345.487 2.202 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C3(C#N)CCC3)CC2)CC1 ZINC000571892705 468855311 /nfs/dbraw/zinc/85/53/11/468855311.db2.gz KJEHFCFXTQLJNZ-UHFFFAOYSA-N 2 1 332.492 2.087 20 30 EEEDMP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602535592 469353578 /nfs/dbraw/zinc/35/35/78/469353578.db2.gz QOKKWIUKJIQXDP-RTBURBONSA-N 2 1 342.487 2.377 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728458 782142728 /nfs/dbraw/zinc/14/27/28/782142728.db2.gz XSNVOKHGXGAZCK-VQTJNVASSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000731809314 577126137 /nfs/dbraw/zinc/12/61/37/577126137.db2.gz BLDIYCCJFDVQDP-WMZOPIPTSA-N 2 1 327.472 2.330 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000731809314 577126139 /nfs/dbraw/zinc/12/61/39/577126139.db2.gz BLDIYCCJFDVQDP-WMZOPIPTSA-N 2 1 327.472 2.330 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114678 674585250 /nfs/dbraw/zinc/58/52/50/674585250.db2.gz KFLIUTSYECUEOB-OAHLLOKOSA-N 2 1 325.884 2.196 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114678 674585253 /nfs/dbraw/zinc/58/52/53/674585253.db2.gz KFLIUTSYECUEOB-OAHLLOKOSA-N 2 1 325.884 2.196 20 30 EEEDMP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccon1 ZINC000261800452 676426194 /nfs/dbraw/zinc/42/61/94/676426194.db2.gz RJSQMZPTEXZKRG-GASCZTMLSA-N 2 1 335.496 2.438 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001022222207 676745129 /nfs/dbraw/zinc/74/51/29/676745129.db2.gz VGTHLZZJZIDGRR-OTWHNJEPSA-N 2 1 343.515 2.291 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001022222207 676745130 /nfs/dbraw/zinc/74/51/30/676745130.db2.gz VGTHLZZJZIDGRR-OTWHNJEPSA-N 2 1 343.515 2.291 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC000971703644 676747961 /nfs/dbraw/zinc/74/79/61/676747961.db2.gz KLEBRHNADULXRP-MOPGFXCFSA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC000971703644 676747963 /nfs/dbraw/zinc/74/79/63/676747963.db2.gz KLEBRHNADULXRP-MOPGFXCFSA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC000971703644 676747964 /nfs/dbraw/zinc/74/79/64/676747964.db2.gz KLEBRHNADULXRP-MOPGFXCFSA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC000971703644 676747966 /nfs/dbraw/zinc/74/79/66/676747966.db2.gz KLEBRHNADULXRP-MOPGFXCFSA-N 2 1 329.488 2.117 20 30 EEEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971795131 676799996 /nfs/dbraw/zinc/79/99/96/676799996.db2.gz PHPQTGGTUWFVCA-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971795131 676799997 /nfs/dbraw/zinc/79/99/97/676799997.db2.gz PHPQTGGTUWFVCA-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971795131 676799998 /nfs/dbraw/zinc/79/99/98/676799998.db2.gz PHPQTGGTUWFVCA-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC000972264926 678467937 /nfs/dbraw/zinc/46/79/37/678467937.db2.gz IRZUKZYKGZAKDR-RBUKOAKNSA-N 2 1 342.487 2.177 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)C1 ZINC000889021914 678822674 /nfs/dbraw/zinc/82/26/74/678822674.db2.gz RPSSNEVNNRISLK-YESZJQIVSA-N 2 1 346.475 2.106 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)C1 ZINC000889021914 678822677 /nfs/dbraw/zinc/82/26/77/678822677.db2.gz RPSSNEVNNRISLK-YESZJQIVSA-N 2 1 346.475 2.106 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@H+](CCC=C)C[C@]3(C)C2)CC1 ZINC000982832416 681354156 /nfs/dbraw/zinc/35/41/56/681354156.db2.gz YQFMDVYRGDEIAY-OYRHEFFESA-N 2 1 343.515 2.078 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024987883 681673980 /nfs/dbraw/zinc/67/39/80/681673980.db2.gz ZEJLMDBJGXUQKX-MSOLQXFVSA-N 2 1 345.512 2.316 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024987883 681673983 /nfs/dbraw/zinc/67/39/83/681673983.db2.gz ZEJLMDBJGXUQKX-MSOLQXFVSA-N 2 1 345.512 2.316 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461497 682829089 /nfs/dbraw/zinc/82/90/89/682829089.db2.gz UPOGVUWGMZTKDV-DOTOQJQBSA-N 2 1 338.455 2.496 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025465835 682840290 /nfs/dbraw/zinc/84/02/90/682840290.db2.gz WLTXFHLPRHUKMQ-WBVHZDCISA-N 2 1 338.455 2.496 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040757501 683747874 /nfs/dbraw/zinc/74/78/74/683747874.db2.gz SXTTZOQFZRDINO-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974665705 685191838 /nfs/dbraw/zinc/19/18/38/685191838.db2.gz SKDASQZJIHHAFW-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000974665705 685191841 /nfs/dbraw/zinc/19/18/41/685191841.db2.gz SKDASQZJIHHAFW-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C(C)(C)C1 ZINC000974665705 685191845 /nfs/dbraw/zinc/19/18/45/685191845.db2.gz SKDASQZJIHHAFW-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040275 686063245 /nfs/dbraw/zinc/06/32/45/686063245.db2.gz PUDBIJZOWVSBFM-HNAYVOBHSA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040275 686063252 /nfs/dbraw/zinc/06/32/52/686063252.db2.gz PUDBIJZOWVSBFM-HNAYVOBHSA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040275 686063257 /nfs/dbraw/zinc/06/32/57/686063257.db2.gz PUDBIJZOWVSBFM-HNAYVOBHSA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040275 686063266 /nfs/dbraw/zinc/06/32/66/686063266.db2.gz PUDBIJZOWVSBFM-HNAYVOBHSA-N 2 1 337.483 2.049 20 30 EEEDMP C=C(Br)C[N@@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000985494821 687044451 /nfs/dbraw/zinc/04/44/51/687044451.db2.gz HLSHSTDTVZVEAF-CQSZACIVSA-N 2 1 346.313 2.158 20 30 EEEDMP C=C(Br)C[N@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000985494821 687044457 /nfs/dbraw/zinc/04/44/57/687044457.db2.gz HLSHSTDTVZVEAF-CQSZACIVSA-N 2 1 346.313 2.158 20 30 EEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000985687771 687477453 /nfs/dbraw/zinc/47/74/53/687477453.db2.gz XQSCEOGIYYMLMW-UHFFFAOYSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991016228 694192435 /nfs/dbraw/zinc/19/24/35/694192435.db2.gz FPNSURIIAWVYGE-QWFCFKBJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991016228 694192439 /nfs/dbraw/zinc/19/24/39/694192439.db2.gz FPNSURIIAWVYGE-QWFCFKBJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991016228 694192442 /nfs/dbraw/zinc/19/24/42/694192442.db2.gz FPNSURIIAWVYGE-QWFCFKBJSA-N 2 1 331.504 2.101 20 30 EEEDMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000263051693 688994955 /nfs/dbraw/zinc/99/49/55/688994955.db2.gz DNAVBVABFWAFEZ-CQSZACIVSA-N 2 1 332.448 2.306 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989616592 692081404 /nfs/dbraw/zinc/08/14/04/692081404.db2.gz XSKLBJSVOHIWFT-HIFRSBDPSA-N 2 1 345.834 2.212 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001027470078 692261425 /nfs/dbraw/zinc/26/14/25/692261425.db2.gz IGSHNGPSDXOIRB-CVEARBPZSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027470078 692261431 /nfs/dbraw/zinc/26/14/31/692261431.db2.gz IGSHNGPSDXOIRB-CVEARBPZSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027470078 692261435 /nfs/dbraw/zinc/26/14/35/692261435.db2.gz IGSHNGPSDXOIRB-CVEARBPZSA-N 2 1 330.476 2.322 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3n2)[C@@H](C)C1 ZINC000943645554 1192435964 /nfs/dbraw/zinc/43/59/64/1192435964.db2.gz FGUNHIQOTYKYBB-WMZOPIPTSA-N 2 1 338.455 2.035 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001481908087 1182927785 /nfs/dbraw/zinc/92/77/85/1182927785.db2.gz CVWYVELOMAKIQL-UHFFFAOYSA-N 2 1 348.516 2.480 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991068779 1189835021 /nfs/dbraw/zinc/83/50/21/1189835021.db2.gz PQQCTWQQCAGIKV-CMKODMSKSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000991068779 1189835025 /nfs/dbraw/zinc/83/50/25/1189835025.db2.gz PQQCTWQQCAGIKV-CMKODMSKSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000991068779 1189835033 /nfs/dbraw/zinc/83/50/33/1189835033.db2.gz PQQCTWQQCAGIKV-CMKODMSKSA-N 2 1 331.504 2.386 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991070926 1189860121 /nfs/dbraw/zinc/86/01/21/1189860121.db2.gz WUPHRTNOAMAUJI-GPMSIDNRSA-N 2 1 328.460 2.450 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991070926 1189860126 /nfs/dbraw/zinc/86/01/26/1189860126.db2.gz WUPHRTNOAMAUJI-GPMSIDNRSA-N 2 1 328.460 2.450 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990246 1195607737 /nfs/dbraw/zinc/60/77/37/1195607737.db2.gz SYFMOLNSHKPNGR-LJQANCHMSA-N 2 1 327.472 2.308 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001034528920 1196334787 /nfs/dbraw/zinc/33/47/87/1196334787.db2.gz URNZHZHREUTSGB-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCC(=C)C)C2)CC1 ZINC001034539200 1196363317 /nfs/dbraw/zinc/36/33/17/1196363317.db2.gz XLIXWGJCCWPOQH-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccccc1C#N ZINC001132270083 1199509456 /nfs/dbraw/zinc/50/94/56/1199509456.db2.gz QKDBABINMWARLI-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1C#N ZINC001132270083 1199509462 /nfs/dbraw/zinc/50/94/62/1199509462.db2.gz QKDBABINMWARLI-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365678 1199616715 /nfs/dbraw/zinc/61/67/15/1199616715.db2.gz OAYOQJDSHASCMJ-AEFFLSMTSA-N 2 1 348.491 2.143 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365678 1199616719 /nfs/dbraw/zinc/61/67/19/1199616719.db2.gz OAYOQJDSHASCMJ-AEFFLSMTSA-N 2 1 348.491 2.143 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132441677 1199725603 /nfs/dbraw/zinc/72/56/03/1199725603.db2.gz SODRFLKDUGVMNN-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132441677 1199725606 /nfs/dbraw/zinc/72/56/06/1199725606.db2.gz SODRFLKDUGVMNN-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132441677 1199725608 /nfs/dbraw/zinc/72/56/08/1199725608.db2.gz SODRFLKDUGVMNN-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132441677 1199725611 /nfs/dbraw/zinc/72/56/11/1199725611.db2.gz SODRFLKDUGVMNN-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP C=CCN1CC[C@]2(CC[N@H+](Cc3cc(F)cc(C[NH+](C)C)c3)C2)C1=O ZINC001274493083 1205057313 /nfs/dbraw/zinc/05/73/13/1205057313.db2.gz ZVKXNHLUCUWVAX-FQEVSTJZSA-N 2 1 345.462 2.498 20 30 EEEDMP COCCC[N@H+]1CCC[C@@]2(CCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001274940289 1205211037 /nfs/dbraw/zinc/21/10/37/1205211037.db2.gz XQAVUYWSTJJQDI-LJQANCHMSA-N 2 1 330.476 2.221 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC000957559107 1215209767 /nfs/dbraw/zinc/20/97/67/1215209767.db2.gz BNTVBLLGIIBXJK-QGZVFWFLSA-N 2 1 340.471 2.098 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000304757188 1216102464 /nfs/dbraw/zinc/10/24/64/1216102464.db2.gz ONTABMFSLJCNOG-GOSISDBHSA-N 2 1 347.482 2.137 20 30 EEEDMP C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000960274624 1216464979 /nfs/dbraw/zinc/46/49/79/1216464979.db2.gz AGLNSBQOIGTVJS-VAMGGRTRSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000960274624 1216464983 /nfs/dbraw/zinc/46/49/83/1216464983.db2.gz AGLNSBQOIGTVJS-VAMGGRTRSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000960274624 1216464987 /nfs/dbraw/zinc/46/49/87/1216464987.db2.gz AGLNSBQOIGTVJS-VAMGGRTRSA-N 2 1 339.483 2.112 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960487422 1216622498 /nfs/dbraw/zinc/62/24/98/1216622498.db2.gz NDOQRRWYEVTABJ-PBHICJAKSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000960487422 1216622499 /nfs/dbraw/zinc/62/24/99/1216622499.db2.gz NDOQRRWYEVTABJ-PBHICJAKSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000960487422 1216622501 /nfs/dbraw/zinc/62/25/01/1216622501.db2.gz NDOQRRWYEVTABJ-PBHICJAKSA-N 2 1 346.500 2.137 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961227302 1217098285 /nfs/dbraw/zinc/09/82/85/1217098285.db2.gz DZGMCQGWBDGYKN-SJORKVTESA-N 2 1 343.471 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961400527 1217175728 /nfs/dbraw/zinc/17/57/28/1217175728.db2.gz HSNWQJVWYZQYMF-RTBURBONSA-N 2 1 333.520 2.156 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961410818 1217179536 /nfs/dbraw/zinc/17/95/36/1217179536.db2.gz JJRATWNIPVTAPF-MOPGFXCFSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000961434860 1217189075 /nfs/dbraw/zinc/18/90/75/1217189075.db2.gz IVKCWZHPROJDEX-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434860 1217189076 /nfs/dbraw/zinc/18/90/76/1217189076.db2.gz IVKCWZHPROJDEX-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434860 1217189078 /nfs/dbraw/zinc/18/90/78/1217189078.db2.gz IVKCWZHPROJDEX-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000961570867 1217226796 /nfs/dbraw/zinc/22/67/96/1217226796.db2.gz ZUEQJWUMPGLCMZ-HCXYKTFWSA-N 2 1 331.504 2.406 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000961570867 1217226798 /nfs/dbraw/zinc/22/67/98/1217226798.db2.gz ZUEQJWUMPGLCMZ-HCXYKTFWSA-N 2 1 331.504 2.406 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000961570867 1217226800 /nfs/dbraw/zinc/22/68/00/1217226800.db2.gz ZUEQJWUMPGLCMZ-HCXYKTFWSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477387 1221335956 /nfs/dbraw/zinc/33/59/56/1221335956.db2.gz SOOQOGRMJKXOMR-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477387 1221335960 /nfs/dbraw/zinc/33/59/60/1221335960.db2.gz SOOQOGRMJKXOMR-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913899 1221665226 /nfs/dbraw/zinc/66/52/26/1221665226.db2.gz LNSJEBASTLOEIM-GOSISDBHSA-N 2 1 331.504 2.247 20 30 EEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968990414 1221723239 /nfs/dbraw/zinc/72/32/39/1221723239.db2.gz CVALCFORFWBZHN-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990414 1221723244 /nfs/dbraw/zinc/72/32/44/1221723244.db2.gz CVALCFORFWBZHN-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990414 1221723245 /nfs/dbraw/zinc/72/32/45/1221723245.db2.gz CVALCFORFWBZHN-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001016818411 1226902054 /nfs/dbraw/zinc/90/20/54/1226902054.db2.gz DKQKHJUWKLJYFP-OXJNMPFZSA-N 2 1 349.494 2.193 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001016826299 1226907281 /nfs/dbraw/zinc/90/72/81/1226907281.db2.gz ORXMDRGNPHUOHN-DZGCQCFKSA-N 2 1 325.884 2.051 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001018837418 1228445483 /nfs/dbraw/zinc/44/54/83/1228445483.db2.gz MDQOPUBBUVDZRX-RBUKOAKNSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001018968057 1228586604 /nfs/dbraw/zinc/58/66/04/1228586604.db2.gz RCRHGLHHYFHDDI-GOEBONIOSA-N 2 1 325.884 2.336 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001020250704 1229583039 /nfs/dbraw/zinc/58/30/39/1229583039.db2.gz MAHBTPBAKHLJCH-BZSNNMDCSA-N 2 1 345.874 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001020250704 1229583041 /nfs/dbraw/zinc/58/30/41/1229583041.db2.gz MAHBTPBAKHLJCH-BZSNNMDCSA-N 2 1 345.874 2.174 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020250966 1229583184 /nfs/dbraw/zinc/58/31/84/1229583184.db2.gz YIPKYOMSXMJYGN-FHWLQOOXSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020250966 1229583187 /nfs/dbraw/zinc/58/31/87/1229583187.db2.gz YIPKYOMSXMJYGN-FHWLQOOXSA-N 2 1 331.504 2.291 20 30 EEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132387 1230342302 /nfs/dbraw/zinc/34/23/02/1230342302.db2.gz JGJNYTZQPAGOED-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132387 1230342308 /nfs/dbraw/zinc/34/23/08/1230342308.db2.gz JGJNYTZQPAGOED-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132387 1230342312 /nfs/dbraw/zinc/34/23/12/1230342312.db2.gz JGJNYTZQPAGOED-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039141024 1230356649 /nfs/dbraw/zinc/35/66/49/1230356649.db2.gz NFKSZJNTCMOBRZ-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141024 1230356652 /nfs/dbraw/zinc/35/66/52/1230356652.db2.gz NFKSZJNTCMOBRZ-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141024 1230356656 /nfs/dbraw/zinc/35/66/56/1230356656.db2.gz NFKSZJNTCMOBRZ-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039154336 1230374616 /nfs/dbraw/zinc/37/46/16/1230374616.db2.gz VHADBARPGTZHPF-RBUKOAKNSA-N 2 1 333.520 2.156 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039223870 1230455023 /nfs/dbraw/zinc/45/50/23/1230455023.db2.gz BJWORGBGQFYGGR-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039223871 1230455473 /nfs/dbraw/zinc/45/54/73/1230455473.db2.gz BJWORGBGQFYGGR-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039249564 1230486391 /nfs/dbraw/zinc/48/63/91/1230486391.db2.gz CADDMEAYNSHBBB-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3cnc(C)n3C1)C2 ZINC001095934524 1230912145 /nfs/dbraw/zinc/91/21/45/1230912145.db2.gz RFLAQVSDCGQGMZ-MVJTYMMSSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095934524 1230912146 /nfs/dbraw/zinc/91/21/46/1230912146.db2.gz RFLAQVSDCGQGMZ-MVJTYMMSSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095934524 1230912148 /nfs/dbraw/zinc/91/21/48/1230912148.db2.gz RFLAQVSDCGQGMZ-MVJTYMMSSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001040354724 1231184672 /nfs/dbraw/zinc/18/46/72/1231184672.db2.gz SIZGVHWNZKNSEV-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001040354724 1231184674 /nfs/dbraw/zinc/18/46/74/1231184674.db2.gz SIZGVHWNZKNSEV-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001040488222 1231257552 /nfs/dbraw/zinc/25/75/52/1231257552.db2.gz IZOMNPPXOJDKTD-NRFANRHFSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040818043 1231378649 /nfs/dbraw/zinc/37/86/49/1231378649.db2.gz YYYZWSXIROBSNN-LJQANCHMSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001040870722 1231392016 /nfs/dbraw/zinc/39/20/16/1231392016.db2.gz WNXOPBADIORTBJ-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040953217 1231408856 /nfs/dbraw/zinc/40/88/56/1231408856.db2.gz LCKCRSNUBRATLE-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C[C@H](F)CC)C3)C2)CC1 ZINC001041844979 1231728445 /nfs/dbraw/zinc/72/84/45/1231728445.db2.gz QRURZLCTNUOKFU-UYAOXDASSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC=C)C2)C1 ZINC001045943992 1234203797 /nfs/dbraw/zinc/20/37/97/1234203797.db2.gz UIKAWHGQXRCAMC-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCC=C)C2)C1 ZINC001045943992 1234203801 /nfs/dbraw/zinc/20/38/01/1234203801.db2.gz UIKAWHGQXRCAMC-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCC=C)C2)C1 ZINC001045943992 1234203804 /nfs/dbraw/zinc/20/38/04/1234203804.db2.gz UIKAWHGQXRCAMC-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCC=C)C2)C1 ZINC001045943992 1234203807 /nfs/dbraw/zinc/20/38/07/1234203807.db2.gz UIKAWHGQXRCAMC-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001048530755 1237885138 /nfs/dbraw/zinc/88/51/38/1237885138.db2.gz AUKCIYYGZHGRBQ-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048530755 1237885142 /nfs/dbraw/zinc/88/51/42/1237885142.db2.gz AUKCIYYGZHGRBQ-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048530755 1237885146 /nfs/dbraw/zinc/88/51/46/1237885146.db2.gz AUKCIYYGZHGRBQ-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001048557109 1237956940 /nfs/dbraw/zinc/95/69/40/1237956940.db2.gz GOTABLOLXJAZSI-HAGHYFMRSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048557109 1237956945 /nfs/dbraw/zinc/95/69/45/1237956945.db2.gz GOTABLOLXJAZSI-HAGHYFMRSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048557109 1237956952 /nfs/dbraw/zinc/95/69/52/1237956952.db2.gz GOTABLOLXJAZSI-HAGHYFMRSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001048557902 1237961197 /nfs/dbraw/zinc/96/11/97/1237961197.db2.gz VDTZLYXNILGCOW-FCGDIQPGSA-N 2 1 349.519 2.031 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001048557902 1237961200 /nfs/dbraw/zinc/96/12/00/1237961200.db2.gz VDTZLYXNILGCOW-FCGDIQPGSA-N 2 1 349.519 2.031 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001048557902 1237961206 /nfs/dbraw/zinc/96/12/06/1237961206.db2.gz VDTZLYXNILGCOW-FCGDIQPGSA-N 2 1 349.519 2.031 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048578107 1238008977 /nfs/dbraw/zinc/00/89/77/1238008977.db2.gz LFHPKEQWMPPNJK-FNLKRUPLSA-N 2 1 345.531 2.489 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048827748 1238761039 /nfs/dbraw/zinc/76/10/39/1238761039.db2.gz DVSLAAFWCBGJIB-ZACQAIPSSA-N 2 1 330.476 2.363 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048827748 1238761050 /nfs/dbraw/zinc/76/10/50/1238761050.db2.gz DVSLAAFWCBGJIB-ZACQAIPSSA-N 2 1 330.476 2.363 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4nccn43)C[C@H]2C1 ZINC001048863945 1239072032 /nfs/dbraw/zinc/07/20/32/1239072032.db2.gz QIIOVCCJGKOONF-IXDOHACOSA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048863945 1239072045 /nfs/dbraw/zinc/07/20/45/1239072045.db2.gz QIIOVCCJGKOONF-IXDOHACOSA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048863945 1239072053 /nfs/dbraw/zinc/07/20/53/1239072053.db2.gz QIIOVCCJGKOONF-IXDOHACOSA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC001048939167 1239325558 /nfs/dbraw/zinc/32/55/58/1239325558.db2.gz IEGJJAKYQVVPHW-GASCZTMLSA-N 2 1 330.819 2.091 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107314 1240019238 /nfs/dbraw/zinc/01/92/38/1240019238.db2.gz DOSQDFKHYFFITG-YYIAUSFCSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107314 1240019243 /nfs/dbraw/zinc/01/92/43/1240019243.db2.gz DOSQDFKHYFFITG-YYIAUSFCSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107314 1240019253 /nfs/dbraw/zinc/01/92/53/1240019253.db2.gz DOSQDFKHYFFITG-YYIAUSFCSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)CN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049482320 1241087350 /nfs/dbraw/zinc/08/73/50/1241087350.db2.gz MLXQRKOBDKJDJO-WCVJEAGWSA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049482320 1241087361 /nfs/dbraw/zinc/08/73/61/1241087361.db2.gz MLXQRKOBDKJDJO-WCVJEAGWSA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049482320 1241087373 /nfs/dbraw/zinc/08/73/73/1241087373.db2.gz MLXQRKOBDKJDJO-WCVJEAGWSA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049482320 1241087381 /nfs/dbraw/zinc/08/73/81/1241087381.db2.gz MLXQRKOBDKJDJO-WCVJEAGWSA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049482320 1241087392 /nfs/dbraw/zinc/08/73/92/1241087392.db2.gz MLXQRKOBDKJDJO-WCVJEAGWSA-N 2 1 325.884 2.144 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049529496 1241263895 /nfs/dbraw/zinc/26/38/95/1241263895.db2.gz OAXPIIWERSIACX-ZCNNSNEGSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049529496 1241263902 /nfs/dbraw/zinc/26/39/02/1241263902.db2.gz OAXPIIWERSIACX-ZCNNSNEGSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001049529496 1241263909 /nfs/dbraw/zinc/26/39/09/1241263909.db2.gz OAXPIIWERSIACX-ZCNNSNEGSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC001049529496 1241263919 /nfs/dbraw/zinc/26/39/19/1241263919.db2.gz OAXPIIWERSIACX-ZCNNSNEGSA-N 2 1 343.515 2.340 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049598276 1241593356 /nfs/dbraw/zinc/59/33/56/1241593356.db2.gz MFTFXQLRVHTQMP-RTBURBONSA-N 2 1 342.487 2.403 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049598276 1241593361 /nfs/dbraw/zinc/59/33/61/1241593361.db2.gz MFTFXQLRVHTQMP-RTBURBONSA-N 2 1 342.487 2.403 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049786483 1242180719 /nfs/dbraw/zinc/18/07/19/1242180719.db2.gz BQTVTAJMPZQCID-OALUTQOASA-N 2 1 325.456 2.060 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001073667491 1242625622 /nfs/dbraw/zinc/62/56/22/1242625622.db2.gz HSXIGENAJIHDLT-QGZVFWFLSA-N 2 1 342.443 2.040 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049913145 1242674009 /nfs/dbraw/zinc/67/40/09/1242674009.db2.gz BQEWPQFASDACSP-GUDVDZBRSA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062514 1242755724 /nfs/dbraw/zinc/75/57/24/1242755724.db2.gz VRJQHSFXHYHZBE-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050062514 1242755732 /nfs/dbraw/zinc/75/57/32/1242755732.db2.gz VRJQHSFXHYHZBE-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050062514 1242755740 /nfs/dbraw/zinc/75/57/40/1242755740.db2.gz VRJQHSFXHYHZBE-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001050545170 1243818735 /nfs/dbraw/zinc/81/87/35/1243818735.db2.gz YGWZJERRXRJNCJ-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050634542 1244000679 /nfs/dbraw/zinc/00/06/79/1244000679.db2.gz AAYDWHRBXNKBAP-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052767127 1244942578 /nfs/dbraw/zinc/94/25/78/1244942578.db2.gz SEQGMJVJMCKPGM-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001101550706 1245955406 /nfs/dbraw/zinc/95/54/06/1245955406.db2.gz WBBGCXSIWJNGMS-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052456066 1247329371 /nfs/dbraw/zinc/32/93/71/1247329371.db2.gz BADYIIKEGKGWAY-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052456066 1247329382 /nfs/dbraw/zinc/32/93/82/1247329382.db2.gz BADYIIKEGKGWAY-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052456066 1247329395 /nfs/dbraw/zinc/32/93/95/1247329395.db2.gz BADYIIKEGKGWAY-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052456066 1247329401 /nfs/dbraw/zinc/32/94/01/1247329401.db2.gz BADYIIKEGKGWAY-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001052457179 1247330395 /nfs/dbraw/zinc/33/03/95/1247330395.db2.gz PTNDBZGGYSBTTR-CABCVRRESA-N 2 1 345.409 2.007 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC001052457179 1247330403 /nfs/dbraw/zinc/33/04/03/1247330403.db2.gz PTNDBZGGYSBTTR-CABCVRRESA-N 2 1 345.409 2.007 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(F)(F)F)CC1 ZINC001052457179 1247330408 /nfs/dbraw/zinc/33/04/08/1247330408.db2.gz PTNDBZGGYSBTTR-CABCVRRESA-N 2 1 345.409 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(F)(F)F)CC1 ZINC001052457179 1247330413 /nfs/dbraw/zinc/33/04/13/1247330413.db2.gz PTNDBZGGYSBTTR-CABCVRRESA-N 2 1 345.409 2.007 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001054158090 1247560138 /nfs/dbraw/zinc/56/01/38/1247560138.db2.gz DYAIXZIFMDNMMC-IBGZPJMESA-N 2 1 346.475 2.240 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001054158090 1247560147 /nfs/dbraw/zinc/56/01/47/1247560147.db2.gz DYAIXZIFMDNMMC-IBGZPJMESA-N 2 1 346.475 2.240 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054159016 1247563630 /nfs/dbraw/zinc/56/36/30/1247563630.db2.gz GAFKPESURIULNU-HXUWFJFHSA-N 2 1 336.439 2.286 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182329 1247635843 /nfs/dbraw/zinc/63/58/43/1247635843.db2.gz HRXQBIYPERMABK-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182329 1247635852 /nfs/dbraw/zinc/63/58/52/1247635852.db2.gz HRXQBIYPERMABK-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182329 1247635860 /nfs/dbraw/zinc/63/58/60/1247635860.db2.gz HRXQBIYPERMABK-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054244844 1247858796 /nfs/dbraw/zinc/85/87/96/1247858796.db2.gz JUJLCOUWFKWHLP-HXUWFJFHSA-N 2 1 331.504 2.200 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001099495803 1258177226 /nfs/dbraw/zinc/17/72/26/1258177226.db2.gz CVLOBDVWBVZGQZ-RDGPPVDQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001099495803 1258177229 /nfs/dbraw/zinc/17/72/29/1258177229.db2.gz CVLOBDVWBVZGQZ-RDGPPVDQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(Br)C[NH2+]C1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001100896858 1259407801 /nfs/dbraw/zinc/40/78/01/1259407801.db2.gz OKAWYRCEORISHD-UHFFFAOYSA-N 2 1 346.313 2.111 20 30 EEEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190248018 1280758499 /nfs/dbraw/zinc/75/84/99/1280758499.db2.gz WORKYEIETZKQCC-IAGOWNOFSA-N 2 1 348.491 2.132 20 30 EEEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190248018 1280758503 /nfs/dbraw/zinc/75/85/03/1280758503.db2.gz WORKYEIETZKQCC-IAGOWNOFSA-N 2 1 348.491 2.132 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001192006774 1281759577 /nfs/dbraw/zinc/75/95/77/1281759577.db2.gz IWFPQQLAKGOZBL-LJQANCHMSA-N 2 1 345.462 2.052 20 30 EEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192353339 1281944187 /nfs/dbraw/zinc/94/41/87/1281944187.db2.gz CMXAQIAODSTOQG-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192353339 1281944190 /nfs/dbraw/zinc/94/41/90/1281944190.db2.gz CMXAQIAODSTOQG-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354544 1281946469 /nfs/dbraw/zinc/94/64/69/1281946469.db2.gz MQVUZKUUOSQAOV-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354544 1281946474 /nfs/dbraw/zinc/94/64/74/1281946474.db2.gz MQVUZKUUOSQAOV-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424490 1282501223 /nfs/dbraw/zinc/50/12/23/1282501223.db2.gz MPHWHDKCUWGFRV-RBUKOAKNSA-N 2 1 327.472 2.235 20 30 EEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424490 1282501229 /nfs/dbraw/zinc/50/12/29/1282501229.db2.gz MPHWHDKCUWGFRV-RBUKOAKNSA-N 2 1 327.472 2.235 20 30 EEEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424490 1282501238 /nfs/dbraw/zinc/50/12/38/1282501238.db2.gz MPHWHDKCUWGFRV-RBUKOAKNSA-N 2 1 327.472 2.235 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCCCCF)C2)CC1 ZINC001194247760 1282956847 /nfs/dbraw/zinc/95/68/47/1282956847.db2.gz ZMVGGKPWEULEFS-SFHVURJKSA-N 2 1 337.483 2.004 20 30 EEEDMP C[NH+](C)CCC[N@H+]1CC[C@]2(C1)c1ccccc1N(CCCC#N)C2=O ZINC001273712151 1283904286 /nfs/dbraw/zinc/90/42/86/1283904286.db2.gz PYBGTIJPSXJMDX-FQEVSTJZSA-N 2 1 340.471 2.232 20 30 EEEDMP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197001294 1284395481 /nfs/dbraw/zinc/39/54/81/1284395481.db2.gz YOPKZOYGWBGWSE-RCCFBDPRSA-N 2 1 339.524 2.015 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197001294 1284395483 /nfs/dbraw/zinc/39/54/83/1284395483.db2.gz YOPKZOYGWBGWSE-RCCFBDPRSA-N 2 1 339.524 2.015 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197001294 1284395493 /nfs/dbraw/zinc/39/54/93/1284395493.db2.gz YOPKZOYGWBGWSE-RCCFBDPRSA-N 2 1 339.524 2.015 20 30 EEEDMP C=CCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198960695 1285444653 /nfs/dbraw/zinc/44/46/53/1285444653.db2.gz LGXUDEPZCBJUQO-WMZOPIPTSA-N 2 1 345.487 2.360 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@@H]1C ZINC001071828404 1294906187 /nfs/dbraw/zinc/90/61/87/1294906187.db2.gz NZNOMLUSFNYZIB-HOTGVXAUSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@@H]1C ZINC001071828404 1294906191 /nfs/dbraw/zinc/90/61/91/1294906191.db2.gz NZNOMLUSFNYZIB-HOTGVXAUSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001072922802 1296311534 /nfs/dbraw/zinc/31/15/34/1296311534.db2.gz AQEREUZUKSACLV-UHFFFAOYSA-N 2 1 331.460 2.455 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216353191 1297143544 /nfs/dbraw/zinc/14/35/44/1297143544.db2.gz VZPOFGWWNNKRRB-QRQLOZEOSA-N 2 1 327.472 2.139 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073634457 1297335116 /nfs/dbraw/zinc/33/51/16/1297335116.db2.gz SFLOMLFZJFHAMI-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001073634457 1297335131 /nfs/dbraw/zinc/33/51/31/1297335131.db2.gz SFLOMLFZJFHAMI-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001073634457 1297335143 /nfs/dbraw/zinc/33/51/43/1297335143.db2.gz SFLOMLFZJFHAMI-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001098914298 1298752987 /nfs/dbraw/zinc/75/29/87/1298752987.db2.gz QJNZZLGKDQJODZ-JXFKEZNVSA-N 2 1 336.439 2.250 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058988 1298838096 /nfs/dbraw/zinc/83/80/96/1298838096.db2.gz SIOUORBCSFWCAD-LPHOPBHVSA-N 2 1 328.460 2.001 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058988 1298838104 /nfs/dbraw/zinc/83/81/04/1298838104.db2.gz SIOUORBCSFWCAD-LPHOPBHVSA-N 2 1 328.460 2.001 20 30 EEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615776 1298963842 /nfs/dbraw/zinc/96/38/42/1298963842.db2.gz YTAJHCGUEFAKQB-GUDVDZBRSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615776 1298963845 /nfs/dbraw/zinc/96/38/45/1298963845.db2.gz YTAJHCGUEFAKQB-GUDVDZBRSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615776 1298963850 /nfs/dbraw/zinc/96/38/50/1298963850.db2.gz YTAJHCGUEFAKQB-GUDVDZBRSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539233 1299198284 /nfs/dbraw/zinc/19/82/84/1299198284.db2.gz ZOMOCZBEPDHLFA-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001225087616 1300884171 /nfs/dbraw/zinc/88/41/71/1300884171.db2.gz JSNSGFDAYIANKF-UHFFFAOYSA-N 2 1 341.499 2.208 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225542265 1301049083 /nfs/dbraw/zinc/04/90/83/1301049083.db2.gz JMQBQCJGXYZPQV-GASCZTMLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225542265 1301049095 /nfs/dbraw/zinc/04/90/95/1301049095.db2.gz JMQBQCJGXYZPQV-GASCZTMLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229463158 1302794500 /nfs/dbraw/zinc/79/45/00/1302794500.db2.gz ZMNYNYBCWBGULC-GOSISDBHSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230597992 1303304874 /nfs/dbraw/zinc/30/48/74/1303304874.db2.gz BUULNFPRFCLMLI-RBUKOAKNSA-N 2 1 333.520 2.443 20 30 EEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1CNC(C)(C)O1)[C@@H]2CC ZINC001235524711 1305265729 /nfs/dbraw/zinc/26/57/29/1305265729.db2.gz DSRVUWLWDKKXIF-FCEWJHQRSA-N 2 1 335.492 2.133 20 30 EEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)[C@@H]2CC ZINC001235524711 1305265745 /nfs/dbraw/zinc/26/57/45/1305265745.db2.gz DSRVUWLWDKKXIF-FCEWJHQRSA-N 2 1 335.492 2.133 20 30 EEEDMP C=C(C)C[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CCCCC1 ZINC001115609963 1305505533 /nfs/dbraw/zinc/50/55/33/1305505533.db2.gz QZNYNRFBSBPWIE-UHFFFAOYSA-N 2 1 334.464 2.335 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149891216 1316080233 /nfs/dbraw/zinc/08/02/33/1316080233.db2.gz XKBSIDBGVQMSBE-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001153998334 1316933015 /nfs/dbraw/zinc/93/30/15/1316933015.db2.gz PFESQYWGHOLQST-RDTXWAMCSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001153998334 1316933017 /nfs/dbraw/zinc/93/30/17/1316933017.db2.gz PFESQYWGHOLQST-RDTXWAMCSA-N 2 1 348.466 2.364 20 30 EEEDMP C=CCOC[C@@H](O)C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001252471062 1317610975 /nfs/dbraw/zinc/61/09/75/1317610975.db2.gz SXZPNTDEXKECKZ-QGLKVJOYSA-N 2 1 346.515 2.445 20 30 EEEDMP C=CCOC[C@@H](O)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001252471062 1317610979 /nfs/dbraw/zinc/61/09/79/1317610979.db2.gz SXZPNTDEXKECKZ-QGLKVJOYSA-N 2 1 346.515 2.445 20 30 EEEDMP C=CCOC[C@@H](O)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001252471062 1317610983 /nfs/dbraw/zinc/61/09/83/1317610983.db2.gz SXZPNTDEXKECKZ-QGLKVJOYSA-N 2 1 346.515 2.445 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374136 1317983636 /nfs/dbraw/zinc/98/36/36/1317983636.db2.gz KFGMGEIZKLXXHX-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374136 1317983637 /nfs/dbraw/zinc/98/36/37/1317983637.db2.gz KFGMGEIZKLXXHX-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374136 1317983638 /nfs/dbraw/zinc/98/36/38/1317983638.db2.gz KFGMGEIZKLXXHX-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP C[NH+](C)CCOCc1ncn2c1C[N@H+](C1CCC(C#N)CC1)CCC2 ZINC001256968765 1318907520 /nfs/dbraw/zinc/90/75/20/1318907520.db2.gz MGKSUUGUWYKJSP-UHFFFAOYSA-N 2 1 345.491 2.249 20 30 EEEDMP C=C(C[NH+]1CCCCC1)c1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001258102065 1319170927 /nfs/dbraw/zinc/17/09/27/1319170927.db2.gz OMVLGYREPLAWEX-HOTGVXAUSA-N 2 1 334.464 2.220 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001158472704 1319258942 /nfs/dbraw/zinc/25/89/42/1319258942.db2.gz FHNACEQYPADPRZ-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001158472704 1319258949 /nfs/dbraw/zinc/25/89/49/1319258949.db2.gz FHNACEQYPADPRZ-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001158508008 1319275362 /nfs/dbraw/zinc/27/53/62/1319275362.db2.gz SFPRQFQRQUTVFF-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001158508008 1319275369 /nfs/dbraw/zinc/27/53/69/1319275369.db2.gz SFPRQFQRQUTVFF-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC2CC2)CC1 ZINC001158914012 1319504671 /nfs/dbraw/zinc/50/46/71/1319504671.db2.gz JKEBKHFMJXVCJC-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001160209379 1320099963 /nfs/dbraw/zinc/09/99/63/1320099963.db2.gz KEECEWPHOZFBOS-FQEVSTJZSA-N 2 1 339.483 2.258 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001160209379 1320099967 /nfs/dbraw/zinc/09/99/67/1320099967.db2.gz KEECEWPHOZFBOS-FQEVSTJZSA-N 2 1 339.483 2.258 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001160870469 1320298846 /nfs/dbraw/zinc/29/88/46/1320298846.db2.gz YAUOPFQOIJIDSF-MOPGFXCFSA-N 2 1 340.471 2.171 20 30 EEEDMP C=CCCC[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)(COC)CC1 ZINC001162357149 1320836619 /nfs/dbraw/zinc/83/66/19/1320836619.db2.gz XJXQTUIMPDERAB-UHFFFAOYSA-N 2 1 348.491 2.003 20 30 EEEDMP C=C(Cl)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001162746968 1320948588 /nfs/dbraw/zinc/94/85/88/1320948588.db2.gz KMZYUJQWRVFMCM-SFHVURJKSA-N 2 1 349.906 2.494 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001162928683 1320990269 /nfs/dbraw/zinc/99/02/69/1320990269.db2.gz NFFAJCVOSRFEFM-GOSISDBHSA-N 2 1 329.488 2.318 20 30 EEEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCCO2)cc1C#N ZINC001276431066 1321998555 /nfs/dbraw/zinc/99/85/55/1321998555.db2.gz AQVDEVLDQNEICJ-PHSGOXPASA-N 2 1 328.460 2.161 20 30 EEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208467635 1324512975 /nfs/dbraw/zinc/51/29/75/1324512975.db2.gz RFIRCBKFSQQVES-CABCVRRESA-N 2 1 334.464 2.285 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC1 ZINC000090554069 1325133292 /nfs/dbraw/zinc/13/32/92/1325133292.db2.gz JQJZQTJMKLYKKP-UHFFFAOYSA-N 2 1 339.443 2.346 20 30 EEEDMP C#CC[N@H+](CCC(=O)N1CCN(C)CC1)[C@H]1CCCc2ccccc21 ZINC001308105129 1331563130 /nfs/dbraw/zinc/56/31/30/1331563130.db2.gz XBKQMQLNMMLYDW-FQEVSTJZSA-N 2 1 339.483 2.163 20 30 EEEDMP C#CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCc2ccccc21 ZINC001308105129 1331563131 /nfs/dbraw/zinc/56/31/31/1331563131.db2.gz XBKQMQLNMMLYDW-FQEVSTJZSA-N 2 1 339.483 2.163 20 30 EEEDMP C#CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCc2ccccc21 ZINC001308105129 1331563135 /nfs/dbraw/zinc/56/31/35/1331563135.db2.gz XBKQMQLNMMLYDW-FQEVSTJZSA-N 2 1 339.483 2.163 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC001353678686 1338318004 /nfs/dbraw/zinc/31/80/04/1338318004.db2.gz QCKVVPWPAHOQPN-IBGZPJMESA-N 2 1 345.487 2.413 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC001353678686 1338318008 /nfs/dbraw/zinc/31/80/08/1338318008.db2.gz QCKVVPWPAHOQPN-IBGZPJMESA-N 2 1 345.487 2.413 20 30 EEEDMP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001574925292 1343712521 /nfs/dbraw/zinc/71/25/21/1343712521.db2.gz MKKXGOQULPYGOJ-IKGGRYGDSA-N 2 1 346.523 2.445 20 30 EEEDMP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001669882695 1356231840 /nfs/dbraw/zinc/23/18/40/1356231840.db2.gz OBVDVGITLZSQOY-YJBOKZPZSA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001669882695 1356231846 /nfs/dbraw/zinc/23/18/46/1356231846.db2.gz OBVDVGITLZSQOY-YJBOKZPZSA-N 2 1 349.906 2.468 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132523206 1367754372 /nfs/dbraw/zinc/75/43/72/1367754372.db2.gz YZTAUPCMGJSPGK-APWZRJJASA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132523206 1367754377 /nfs/dbraw/zinc/75/43/77/1367754377.db2.gz YZTAUPCMGJSPGK-APWZRJJASA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132523206 1367754384 /nfs/dbraw/zinc/75/43/84/1367754384.db2.gz YZTAUPCMGJSPGK-APWZRJJASA-N 2 1 342.487 2.368 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC=C(C)C)C2)CC1 ZINC001072096340 1370605547 /nfs/dbraw/zinc/60/55/47/1370605547.db2.gz XTFUEZTUQOWHOW-IEBWSBKVSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CCOc1ccc(C[NH+]2CCN(CC[NH+](CC)CC)CC2)cc1 ZINC001138555316 1372398824 /nfs/dbraw/zinc/39/88/24/1372398824.db2.gz WOEBLWPCBUWDPO-UHFFFAOYSA-N 2 1 329.488 2.158 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001377232426 1379058916 /nfs/dbraw/zinc/05/89/16/1379058916.db2.gz VUOFBFUFFCRHOE-UHFFFAOYSA-N 2 1 339.443 2.126 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001377232426 1379058920 /nfs/dbraw/zinc/05/89/20/1379058920.db2.gz VUOFBFUFFCRHOE-UHFFFAOYSA-N 2 1 339.443 2.126 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001378895440 1380245056 /nfs/dbraw/zinc/24/50/56/1380245056.db2.gz IQFMQORTNSHKPP-GXTWGEPZSA-N 2 1 346.313 2.063 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@@H+](C)CCC(=C)C)C2)CC1 ZINC001752526176 1406318018 /nfs/dbraw/zinc/31/80/18/1406318018.db2.gz QTBBIMWIUPUEAC-LJQANCHMSA-N 2 1 345.531 2.468 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001393544860 1390466304 /nfs/dbraw/zinc/46/63/04/1390466304.db2.gz GYSDHUVLAKQNPJ-GOSISDBHSA-N 2 1 340.471 2.171 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC001755002655 1407022545 /nfs/dbraw/zinc/02/25/45/1407022545.db2.gz WCZNCIRMSYFBJF-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)CCC[NH+]1CCCC1 ZINC001422915652 1400271259 /nfs/dbraw/zinc/27/12/59/1400271259.db2.gz ILIHRZWYEPFAAV-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)CCC[NH+]1CCCC1 ZINC001422915652 1400271261 /nfs/dbraw/zinc/27/12/61/1400271261.db2.gz ILIHRZWYEPFAAV-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001423340088 1400535262 /nfs/dbraw/zinc/53/52/62/1400535262.db2.gz BDYVHOUXHTVKEW-NVXWUHKLSA-N 2 1 335.879 2.450 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001423340088 1400535266 /nfs/dbraw/zinc/53/52/66/1400535266.db2.gz BDYVHOUXHTVKEW-NVXWUHKLSA-N 2 1 335.879 2.450 20 30 EEEDMP C#CC[C@]1(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574515924 1403521451 /nfs/dbraw/zinc/52/14/51/1403521451.db2.gz BEPVZAPHFITKDK-WIYYLYMNSA-N 2 1 339.483 2.255 20 30 EEEDMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001755530478 1407594911 /nfs/dbraw/zinc/59/49/11/1407594911.db2.gz FTWRZQDSGJDDJY-UHFFFAOYSA-N 2 1 334.464 2.239 20 30 EEEDMP C=C(C)CC[N@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001755530478 1407594917 /nfs/dbraw/zinc/59/49/17/1407594917.db2.gz FTWRZQDSGJDDJY-UHFFFAOYSA-N 2 1 334.464 2.239 20 30 EEEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100406031 1410650887 /nfs/dbraw/zinc/65/08/87/1410650887.db2.gz YJAGZLBJQZGMIG-FAFZWHIHSA-N 2 1 349.519 2.080 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001100676897 1410693746 /nfs/dbraw/zinc/69/37/46/1410693746.db2.gz UQVOYPSUBDYELV-VNCLNFNDSA-N 2 1 340.471 2.027 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001100676983 1410693900 /nfs/dbraw/zinc/69/39/00/1410693900.db2.gz VLPGSHCMCNUHKN-MDCZIUGASA-N 2 1 340.471 2.027 20 30 EEEDMP C=CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001075390936 757892802 /nfs/dbraw/zinc/89/28/02/757892802.db2.gz RAZPJPNDXHZZPS-IEBWSBKVSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001104896512 765524416 /nfs/dbraw/zinc/52/44/16/765524416.db2.gz CBVPUSRANXFHNP-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@H]2C1 ZINC001087985811 782712801 /nfs/dbraw/zinc/71/28/01/782712801.db2.gz GDLIZVLFBAYJAF-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087985811 782712808 /nfs/dbraw/zinc/71/28/08/782712808.db2.gz GDLIZVLFBAYJAF-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087985811 782712815 /nfs/dbraw/zinc/71/28/15/782712815.db2.gz GDLIZVLFBAYJAF-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087985811 782712821 /nfs/dbraw/zinc/71/28/21/782712821.db2.gz GDLIZVLFBAYJAF-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC(C)(C)C1 ZINC001089492180 769833443 /nfs/dbraw/zinc/83/34/43/769833443.db2.gz CWGUMPCONRXYNJ-GVDBMIGSSA-N 2 1 342.487 2.154 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166425 783011438 /nfs/dbraw/zinc/01/14/38/783011438.db2.gz AMKQYTFZBOZAEN-AABGKKOBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166425 783011445 /nfs/dbraw/zinc/01/14/45/783011445.db2.gz AMKQYTFZBOZAEN-AABGKKOBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166425 783011453 /nfs/dbraw/zinc/01/14/53/783011453.db2.gz AMKQYTFZBOZAEN-AABGKKOBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942718972 783049599 /nfs/dbraw/zinc/04/95/99/783049599.db2.gz FAFUXWWZMWPQRW-XLIONFOSSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942721460 783053057 /nfs/dbraw/zinc/05/30/57/783053057.db2.gz LFFIRYOFIDWBEL-FXAWDEMLSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC000980083028 773839200 /nfs/dbraw/zinc/83/92/00/773839200.db2.gz GWOJLFWAXUZKIM-GVDBMIGSSA-N 2 1 336.439 2.106 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980154199 773965831 /nfs/dbraw/zinc/96/58/31/773965831.db2.gz HBSAVCOABHIVGE-CGTJXYLNSA-N 2 1 343.471 2.195 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001089658952 774056452 /nfs/dbraw/zinc/05/64/52/774056452.db2.gz PSZYJFRWIRZSDD-IRXDYDNUSA-N 2 1 342.487 2.076 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980216944 774128204 /nfs/dbraw/zinc/12/82/04/774128204.db2.gz SMISBXCXHQJBCP-OKZBNKHCSA-N 2 1 331.504 2.265 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779245 783186891 /nfs/dbraw/zinc/18/68/91/783186891.db2.gz LHFUAAQVEZEFHM-OIISXLGYSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779245 783186898 /nfs/dbraw/zinc/18/68/98/783186898.db2.gz LHFUAAQVEZEFHM-OIISXLGYSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779245 783186908 /nfs/dbraw/zinc/18/69/08/783186908.db2.gz LHFUAAQVEZEFHM-OIISXLGYSA-N 2 1 339.911 2.251 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC=C)CC1 ZINC001089736499 774820736 /nfs/dbraw/zinc/82/07/36/774820736.db2.gz XOUGXAALMMOKOK-SFHVURJKSA-N 2 1 331.504 2.124 20 30 EEEDMP C=C(Br)C[NH2+]CC1(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001167815320 774989873 /nfs/dbraw/zinc/98/98/73/774989873.db2.gz QZSNTYDLGBAIGM-UHFFFAOYSA-N 2 1 346.313 2.113 20 30 EEEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997653893 790551789 /nfs/dbraw/zinc/55/17/89/790551789.db2.gz UIJQURUGBIMCBD-AWEZNQCLSA-N 2 1 334.464 2.143 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767727 778165037 /nfs/dbraw/zinc/16/50/37/778165037.db2.gz UUVJFHFKCDUWJO-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981767727 778165040 /nfs/dbraw/zinc/16/50/40/778165040.db2.gz UUVJFHFKCDUWJO-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767727 778165041 /nfs/dbraw/zinc/16/50/41/778165041.db2.gz UUVJFHFKCDUWJO-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981914427 778544996 /nfs/dbraw/zinc/54/49/96/778544996.db2.gz KQPMUBARLCEMQJ-SFHVURJKSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981914944 778545429 /nfs/dbraw/zinc/54/54/29/778545429.db2.gz URSSONKEERMWHZ-GOSISDBHSA-N 2 1 331.504 2.361 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000982107363 779115583 /nfs/dbraw/zinc/11/55/83/779115583.db2.gz ICTNRKJEHGSCEA-UHFFFAOYSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982113998 779124060 /nfs/dbraw/zinc/12/40/60/779124060.db2.gz UMUVFZMOKMZGSO-HNNXBMFYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982113998 779124065 /nfs/dbraw/zinc/12/40/65/779124065.db2.gz UMUVFZMOKMZGSO-HNNXBMFYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982113998 779124070 /nfs/dbraw/zinc/12/40/70/779124070.db2.gz UMUVFZMOKMZGSO-HNNXBMFYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982113998 779124072 /nfs/dbraw/zinc/12/40/72/779124072.db2.gz UMUVFZMOKMZGSO-HNNXBMFYSA-N 2 1 325.884 2.005 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](C[C@H](C)CC)C3)CC1 ZINC000982162586 779182359 /nfs/dbraw/zinc/18/23/59/779182359.db2.gz VQQLLANEUUCIJJ-GOSISDBHSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC001088862795 790923149 /nfs/dbraw/zinc/92/31/49/790923149.db2.gz UQSOIJBPFUQXTM-WBVHZDCISA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001088862795 790923158 /nfs/dbraw/zinc/92/31/58/790923158.db2.gz UQSOIJBPFUQXTM-WBVHZDCISA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001088862795 790923164 /nfs/dbraw/zinc/92/31/64/790923164.db2.gz UQSOIJBPFUQXTM-WBVHZDCISA-N 2 1 346.475 2.429 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946800613 783458420 /nfs/dbraw/zinc/45/84/20/783458420.db2.gz GCAHLYKFOVYBDI-HDICACEKSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946800613 783458428 /nfs/dbraw/zinc/45/84/28/783458428.db2.gz GCAHLYKFOVYBDI-HDICACEKSA-N 2 1 342.487 2.200 20 30 EEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001088326768 783514318 /nfs/dbraw/zinc/51/43/18/783514318.db2.gz XNTKZOBFWAATJS-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035197794 784033069 /nfs/dbraw/zinc/03/30/69/784033069.db2.gz UVIUWOSDEVIGEF-OAHLLOKOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035219719 784094813 /nfs/dbraw/zinc/09/48/13/784094813.db2.gz AWXVZNCBNRBBFE-UHFFFAOYSA-N 2 1 331.460 2.455 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135857553 784638967 /nfs/dbraw/zinc/63/89/67/784638967.db2.gz KDKUSODTAOXZON-HUUCEWRRSA-N 2 1 348.466 2.412 20 30 EEEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035721709 785017701 /nfs/dbraw/zinc/01/77/01/785017701.db2.gz YVUZSRKWJZRXLT-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N(CC[NH3+])CC(=O)OCC)cc1 ZINC001170996378 787389611 /nfs/dbraw/zinc/38/96/11/787389611.db2.gz PFFHLBOOCMLDTM-SFHVURJKSA-N 2 1 331.460 2.338 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107598751 787842421 /nfs/dbraw/zinc/84/24/21/787842421.db2.gz VMBAZFXJXVSTPB-NVXWUHKLSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598751 787842431 /nfs/dbraw/zinc/84/24/31/787842431.db2.gz VMBAZFXJXVSTPB-NVXWUHKLSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598751 787842441 /nfs/dbraw/zinc/84/24/41/787842441.db2.gz VMBAZFXJXVSTPB-NVXWUHKLSA-N 2 1 327.900 2.442 20 30 EEEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)[NH+](C)C ZINC001109733381 805911940 /nfs/dbraw/zinc/91/19/40/805911940.db2.gz LMUFXGVVFDCKNE-FYQPLNBISA-N 2 1 339.483 2.100 20 30 EEEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)[NH+](C)C ZINC001109733381 805911945 /nfs/dbraw/zinc/91/19/45/805911945.db2.gz LMUFXGVVFDCKNE-FYQPLNBISA-N 2 1 339.483 2.100 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171120635 789039790 /nfs/dbraw/zinc/03/97/90/789039790.db2.gz OPSJDIGJNYBNKU-ZWKOTPCHSA-N 2 1 339.524 2.328 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358931 789434586 /nfs/dbraw/zinc/43/45/86/789434586.db2.gz MXXLHDRIILIUMT-GBESFXJTSA-N 2 1 343.471 2.010 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000923575598 789801770 /nfs/dbraw/zinc/80/17/70/789801770.db2.gz JWGRJUBVIXJOET-LJQANCHMSA-N 2 1 334.423 2.075 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000923575598 789801773 /nfs/dbraw/zinc/80/17/73/789801773.db2.gz JWGRJUBVIXJOET-LJQANCHMSA-N 2 1 334.423 2.075 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001146592996 791362365 /nfs/dbraw/zinc/36/23/65/791362365.db2.gz LPYPIMSQGRRZGY-GJZGRUSLSA-N 2 1 348.466 2.410 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1cncs1 ZINC001171308564 791855334 /nfs/dbraw/zinc/85/53/34/791855334.db2.gz VDCMLSSKNXYURM-WBVHZDCISA-N 2 1 348.516 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1cncs1 ZINC001171308564 791855338 /nfs/dbraw/zinc/85/53/38/791855338.db2.gz VDCMLSSKNXYURM-WBVHZDCISA-N 2 1 348.516 2.005 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)C1 ZINC001147829254 791985717 /nfs/dbraw/zinc/98/57/17/791985717.db2.gz GTWVUSQOARUIIW-UHFFFAOYSA-N 2 1 342.487 2.408 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC000992142682 792895402 /nfs/dbraw/zinc/89/54/02/792895402.db2.gz BWALHPKFHGOYQF-ILZDJORESA-N 2 1 342.487 2.443 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC000992142682 792895420 /nfs/dbraw/zinc/89/54/20/792895420.db2.gz BWALHPKFHGOYQF-ILZDJORESA-N 2 1 342.487 2.443 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992186617 793123570 /nfs/dbraw/zinc/12/35/70/793123570.db2.gz GOWYRWMVPDAKLZ-PWIZWCRZSA-N 2 1 349.494 2.335 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992186617 793123577 /nfs/dbraw/zinc/12/35/77/793123577.db2.gz GOWYRWMVPDAKLZ-PWIZWCRZSA-N 2 1 349.494 2.335 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992186617 793123585 /nfs/dbraw/zinc/12/35/85/793123585.db2.gz GOWYRWMVPDAKLZ-PWIZWCRZSA-N 2 1 349.494 2.335 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164245 794067745 /nfs/dbraw/zinc/06/77/45/794067745.db2.gz CDQNMNYQAPXYQZ-QGZVFWFLSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164245 794067751 /nfs/dbraw/zinc/06/77/51/794067751.db2.gz CDQNMNYQAPXYQZ-QGZVFWFLSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676485 794223574 /nfs/dbraw/zinc/22/35/74/794223574.db2.gz AHLTWJLRPUJKGT-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676485 794223577 /nfs/dbraw/zinc/22/35/77/794223577.db2.gz AHLTWJLRPUJKGT-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676485 794223580 /nfs/dbraw/zinc/22/35/80/794223580.db2.gz AHLTWJLRPUJKGT-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092828048 794388763 /nfs/dbraw/zinc/38/87/63/794388763.db2.gz DNOZMBDHNRJCPR-IUODEOHRSA-N 2 1 332.835 2.385 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=C)C)CC3)CC1 ZINC000992510050 794454018 /nfs/dbraw/zinc/45/40/18/794454018.db2.gz OJENNPQOPALIDL-AZUAARDMSA-N 2 1 329.488 2.021 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001110016497 806393920 /nfs/dbraw/zinc/39/39/20/806393920.db2.gz QZJSYHFCSLJLPT-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001110016497 806393926 /nfs/dbraw/zinc/39/39/26/806393926.db2.gz QZJSYHFCSLJLPT-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001110016497 806393936 /nfs/dbraw/zinc/39/39/36/806393936.db2.gz QZJSYHFCSLJLPT-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001110016497 806393946 /nfs/dbraw/zinc/39/39/46/806393946.db2.gz QZJSYHFCSLJLPT-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036841659 795423155 /nfs/dbraw/zinc/42/31/55/795423155.db2.gz BIHQQERADVXJNG-PMACEKPBSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2C)CC1 ZINC001080997635 796548490 /nfs/dbraw/zinc/54/84/90/796548490.db2.gz HQAAZIWUUSGYIU-CRAIPNDOSA-N 2 1 345.512 2.030 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112397116 796573500 /nfs/dbraw/zinc/57/35/00/796573500.db2.gz SYLCYSAHDLAOJR-BJLQDIEVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1ccccc1 ZINC001081231838 796702222 /nfs/dbraw/zinc/70/22/22/796702222.db2.gz QOXQCXRHRUTUQM-XUVXKRRUSA-N 2 1 339.483 2.078 20 30 EEEDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970609 797175700 /nfs/dbraw/zinc/17/57/00/797175700.db2.gz HTJGOYFNMFXLBX-GJZGRUSLSA-N 2 1 333.436 2.073 20 30 EEEDMP C=C(Cl)CN1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001760630 797179183 /nfs/dbraw/zinc/17/91/83/797179183.db2.gz MUIWNGMMJZBYRN-HOCLYGCPSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001760630 797179189 /nfs/dbraw/zinc/17/91/89/797179189.db2.gz MUIWNGMMJZBYRN-HOCLYGCPSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001760630 797179196 /nfs/dbraw/zinc/17/91/96/797179196.db2.gz MUIWNGMMJZBYRN-HOCLYGCPSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994201176 797401707 /nfs/dbraw/zinc/40/17/07/797401707.db2.gz IAQOWGAPSPMFJZ-VQIMIIECSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174913980 797929478 /nfs/dbraw/zinc/92/94/78/797929478.db2.gz VRHNASWMJXMTJZ-QZTJIDSGSA-N 2 1 339.524 2.326 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174913980 797929483 /nfs/dbraw/zinc/92/94/83/797929483.db2.gz VRHNASWMJXMTJZ-QZTJIDSGSA-N 2 1 339.524 2.326 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994490632 798083802 /nfs/dbraw/zinc/08/38/02/798083802.db2.gz WCZVMRWUMGUWSK-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084767343 798442377 /nfs/dbraw/zinc/44/23/77/798442377.db2.gz QMKJOIWKSBTNLE-RTBURBONSA-N 2 1 331.504 2.217 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563768 798497597 /nfs/dbraw/zinc/49/75/97/798497597.db2.gz HEDSNTIIGOZARL-LPHOPBHVSA-N 2 1 342.487 2.275 20 30 EEEDMP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565134 798499265 /nfs/dbraw/zinc/49/92/65/798499265.db2.gz STYRXORLDNLFDS-UYAOXDASSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957791 798577053 /nfs/dbraw/zinc/57/70/53/798577053.db2.gz XKUIADZORLNHRA-QRVBRYPASA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957791 798577055 /nfs/dbraw/zinc/57/70/55/798577055.db2.gz XKUIADZORLNHRA-QRVBRYPASA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957791 798577057 /nfs/dbraw/zinc/57/70/57/798577057.db2.gz XKUIADZORLNHRA-QRVBRYPASA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(F)(F)F ZINC001178722806 799581342 /nfs/dbraw/zinc/58/13/42/799581342.db2.gz OTUPMQMNGYFRRL-HNNXBMFYSA-N 2 1 347.425 2.303 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(F)(F)F ZINC001178722806 799581347 /nfs/dbraw/zinc/58/13/47/799581347.db2.gz OTUPMQMNGYFRRL-HNNXBMFYSA-N 2 1 347.425 2.303 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001179158284 799807354 /nfs/dbraw/zinc/80/73/54/799807354.db2.gz JIKWFVVLOODYSY-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001085224860 800257296 /nfs/dbraw/zinc/25/72/96/800257296.db2.gz YNZBIIAEDWIHAX-QRVBRYPASA-N 2 1 349.519 2.223 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)CC[N@H+](C)CCC ZINC001180117974 800276774 /nfs/dbraw/zinc/27/67/74/800276774.db2.gz PPOPXEDGXDONHW-UHFFFAOYSA-N 2 1 327.513 2.187 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001182346477 801129477 /nfs/dbraw/zinc/12/94/77/801129477.db2.gz RJABELBMICVLJI-QWFCFKBJSA-N 2 1 333.520 2.206 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004549151 802350157 /nfs/dbraw/zinc/35/01/57/802350157.db2.gz UVOQQEYRXKNFDG-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001004549151 802350169 /nfs/dbraw/zinc/35/01/69/802350169.db2.gz UVOQQEYRXKNFDG-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001004549151 802350182 /nfs/dbraw/zinc/35/01/82/802350182.db2.gz UVOQQEYRXKNFDG-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638611 802530150 /nfs/dbraw/zinc/53/01/50/802530150.db2.gz UDHNGUVBEQNPMO-KDURUIRLSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001108258779 802621893 /nfs/dbraw/zinc/62/18/93/802621893.db2.gz UZGUCPKFTBQUSD-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001108258779 802621896 /nfs/dbraw/zinc/62/18/96/802621896.db2.gz UZGUCPKFTBQUSD-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086497465 803129044 /nfs/dbraw/zinc/12/90/44/803129044.db2.gz NDTIMGULEJYQAL-BZUAXINKSA-N 2 1 327.900 2.486 20 30 EEEDMP C=CCCCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001108420885 803512852 /nfs/dbraw/zinc/51/28/52/803512852.db2.gz AYZZZRAXSYMPIG-LJQANCHMSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108420885 803512855 /nfs/dbraw/zinc/51/28/55/803512855.db2.gz AYZZZRAXSYMPIG-LJQANCHMSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108420885 803512856 /nfs/dbraw/zinc/51/28/56/803512856.db2.gz AYZZZRAXSYMPIG-LJQANCHMSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086589242 808837872 /nfs/dbraw/zinc/83/78/72/808837872.db2.gz OSAOOOGGUXVPGT-RSPOEFSDSA-N 2 1 341.499 2.487 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001086589242 808837875 /nfs/dbraw/zinc/83/78/75/808837875.db2.gz OSAOOOGGUXVPGT-RSPOEFSDSA-N 2 1 341.499 2.487 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001086589242 808837883 /nfs/dbraw/zinc/83/78/83/808837883.db2.gz OSAOOOGGUXVPGT-RSPOEFSDSA-N 2 1 341.499 2.487 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086624153 810935495 /nfs/dbraw/zinc/93/54/95/810935495.db2.gz PYVAGUQZIAWBMZ-SLFFLAALSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086624153 810935499 /nfs/dbraw/zinc/93/54/99/810935499.db2.gz PYVAGUQZIAWBMZ-SLFFLAALSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086624153 810935506 /nfs/dbraw/zinc/93/55/06/810935506.db2.gz PYVAGUQZIAWBMZ-SLFFLAALSA-N 2 1 341.499 2.489 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001130418999 811641633 /nfs/dbraw/zinc/64/16/33/811641633.db2.gz GUGNQXXIDHLPOX-UHFFFAOYSA-N 2 1 335.879 2.128 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001436695738 1088158601 /nfs/dbraw/zinc/15/86/01/1088158601.db2.gz VJMCHRPMVVITID-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001436695738 1088158609 /nfs/dbraw/zinc/15/86/09/1088158609.db2.gz VJMCHRPMVVITID-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001436695738 1088158617 /nfs/dbraw/zinc/15/86/17/1088158617.db2.gz VJMCHRPMVVITID-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438553371 1091045380 /nfs/dbraw/zinc/04/53/80/1091045380.db2.gz QGNIMJWUXVEXFR-LPHOPBHVSA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001440131799 1093197601 /nfs/dbraw/zinc/19/76/01/1093197601.db2.gz ZMOBQCIPUCJYQW-UONOGXRCSA-N 2 1 346.313 2.063 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC001448986904 1093989224 /nfs/dbraw/zinc/98/92/24/1093989224.db2.gz XFAGSTGEXYHLFQ-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001448095011 1103990952 /nfs/dbraw/zinc/99/09/52/1103990952.db2.gz KXIKEFPWKSCEAN-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001448095011 1103990954 /nfs/dbraw/zinc/99/09/54/1103990954.db2.gz KXIKEFPWKSCEAN-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001448095011 1103990961 /nfs/dbraw/zinc/99/09/61/1103990961.db2.gz KXIKEFPWKSCEAN-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001494855550 1104459804 /nfs/dbraw/zinc/45/98/04/1104459804.db2.gz FWAZZYKXFVJGGI-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001494855550 1104459807 /nfs/dbraw/zinc/45/98/07/1104459807.db2.gz FWAZZYKXFVJGGI-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001494855550 1104459809 /nfs/dbraw/zinc/45/98/09/1104459809.db2.gz FWAZZYKXFVJGGI-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001494855550 1104459811 /nfs/dbraw/zinc/45/98/11/1104459811.db2.gz FWAZZYKXFVJGGI-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)C1([NH+](C)C)CCC1 ZINC001498313847 1107273620 /nfs/dbraw/zinc/27/36/20/1107273620.db2.gz OSGYNXYYTSMPLO-ZDUSSCGKSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)C1([NH+](C)C)CCC1 ZINC001498313847 1107273628 /nfs/dbraw/zinc/27/36/28/1107273628.db2.gz OSGYNXYYTSMPLO-ZDUSSCGKSA-N 2 1 334.489 2.041 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001507328499 1115195213 /nfs/dbraw/zinc/19/52/13/1115195213.db2.gz PHHHMHAJKTVHTA-PBHICJAKSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CCCOc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000264933539 533072459 /nfs/dbraw/zinc/07/24/59/533072459.db2.gz BWWRERFCBGPDBL-LJQANCHMSA-N 2 1 330.472 2.415 20 30 EEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000247974899 160335343 /nfs/dbraw/zinc/33/53/43/160335343.db2.gz KNQLAMGSIFHCDI-FUHWJXTLSA-N 2 1 326.444 2.303 20 30 EEEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000576029163 320134466 /nfs/dbraw/zinc/13/44/66/320134466.db2.gz UWWZBAMZCIGQNW-PKOBYXMFSA-N 2 1 345.487 2.400 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000491248408 468333530 /nfs/dbraw/zinc/33/35/30/468333530.db2.gz BTSYEABYGADONL-VOTSOKGWSA-N 2 1 347.422 2.357 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000491699787 468362619 /nfs/dbraw/zinc/36/26/19/468362619.db2.gz CQFRKAWKCYEAKE-HUUCEWRRSA-N 2 1 330.419 2.288 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000491699787 468362624 /nfs/dbraw/zinc/36/26/24/468362624.db2.gz CQFRKAWKCYEAKE-HUUCEWRRSA-N 2 1 330.419 2.288 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000491749734 468363744 /nfs/dbraw/zinc/36/37/44/468363744.db2.gz UBIJTYWISANOPY-UHFFFAOYSA-N 2 1 342.487 2.037 20 30 EEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(C2CCC2)cc1 ZINC000276969426 463825241 /nfs/dbraw/zinc/82/52/41/463825241.db2.gz WOOXKEWMUBWNEI-UHFFFAOYSA-N 2 1 330.476 2.081 20 30 EEEDMP C[NH+]=C(NCc1cc(F)ccc1F)NC[C@]1([NH+](C)C)CCSC1 ZINC000262757197 464044160 /nfs/dbraw/zinc/04/41/60/464044160.db2.gz DUMBPDJBDFXIQD-MRXNPFEDSA-N 2 1 342.459 2.067 20 30 EEEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000264131941 464286284 /nfs/dbraw/zinc/28/62/84/464286284.db2.gz YFGKPWCABXRZFC-MRXNPFEDSA-N 2 1 343.519 2.176 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245829200 464517990 /nfs/dbraw/zinc/51/79/90/464517990.db2.gz GCEXXUHHCQUAOM-SJORKVTESA-N 2 1 330.476 2.264 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245829200 464517996 /nfs/dbraw/zinc/51/79/96/464517996.db2.gz GCEXXUHHCQUAOM-SJORKVTESA-N 2 1 330.476 2.264 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C(F)(F)F)cs1 ZINC000267391217 464930544 /nfs/dbraw/zinc/93/05/44/464930544.db2.gz CVONZUXVLAWVTB-SECBINFHSA-N 2 1 335.399 2.051 20 30 EEEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1OC ZINC000268112526 464951761 /nfs/dbraw/zinc/95/17/61/464951761.db2.gz ZNYLRJVKQBZUIM-AWEZNQCLSA-N 2 1 334.464 2.408 20 30 EEEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC000330174455 465558336 /nfs/dbraw/zinc/55/83/36/465558336.db2.gz IELBJABTJCYXFC-HUUCEWRRSA-N 2 1 333.480 2.212 20 30 EEEDMP C=CCNC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371354101 465738078 /nfs/dbraw/zinc/73/80/78/465738078.db2.gz KVVCTZPZDLCJRQ-UHFFFAOYSA-N 2 1 327.472 2.277 20 30 EEEDMP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000598729002 468976622 /nfs/dbraw/zinc/97/66/22/468976622.db2.gz GTAULBQIBSBPMA-MOPGFXCFSA-N 2 1 345.487 2.034 20 30 EEEDMP C=CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000772383232 577268335 /nfs/dbraw/zinc/26/83/35/577268335.db2.gz UZVJIOYGDBPMQX-UHFFFAOYSA-N 2 1 342.487 2.417 20 30 EEEDMP C=CC[N@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000772383232 577268338 /nfs/dbraw/zinc/26/83/38/577268338.db2.gz UZVJIOYGDBPMQX-UHFFFAOYSA-N 2 1 342.487 2.417 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC000971686666 676740428 /nfs/dbraw/zinc/74/04/28/676740428.db2.gz DGYDDYBADQRWNS-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001023451108 679316139 /nfs/dbraw/zinc/31/61/39/679316139.db2.gz FVYYFVNUAYYJLR-HOTGVXAUSA-N 2 1 330.476 2.227 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001023451108 679316141 /nfs/dbraw/zinc/31/61/41/679316141.db2.gz FVYYFVNUAYYJLR-HOTGVXAUSA-N 2 1 330.476 2.227 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023695676 679486358 /nfs/dbraw/zinc/48/63/58/679486358.db2.gz FBORZTMHSMJBMJ-RBUKOAKNSA-N 2 1 333.520 2.493 20 30 EEEDMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000263188928 679567637 /nfs/dbraw/zinc/56/76/37/679567637.db2.gz VGWPOGGSHFRLMA-UHFFFAOYSA-N 2 1 332.448 2.449 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982635021 681919961 /nfs/dbraw/zinc/91/99/61/681919961.db2.gz VDKNPYYKYWYCPM-ZYSHUDEJSA-N 2 1 330.476 2.335 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C[C@@]2(C)C1 ZINC000982635021 681919964 /nfs/dbraw/zinc/91/99/64/681919964.db2.gz VDKNPYYKYWYCPM-ZYSHUDEJSA-N 2 1 330.476 2.335 20 30 EEEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818181 682282587 /nfs/dbraw/zinc/28/25/87/682282587.db2.gz LXYFIPUBPFGRJJ-RLLQIKCJSA-N 2 1 341.499 2.346 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818181 682282589 /nfs/dbraw/zinc/28/25/89/682282589.db2.gz LXYFIPUBPFGRJJ-RLLQIKCJSA-N 2 1 341.499 2.346 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818181 682282594 /nfs/dbraw/zinc/28/25/94/682282594.db2.gz LXYFIPUBPFGRJJ-RLLQIKCJSA-N 2 1 341.499 2.346 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(CN(C)C)on1 ZINC001025246773 682315724 /nfs/dbraw/zinc/31/57/24/682315724.db2.gz ZGYDWSWLIJZADR-MSOLQXFVSA-N 2 1 346.475 2.381 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433884 682752598 /nfs/dbraw/zinc/75/25/98/682752598.db2.gz PSVMTFZDIRKJPT-CABCVRRESA-N 2 1 333.501 2.273 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492779 682918635 /nfs/dbraw/zinc/91/86/35/682918635.db2.gz FBWOZNLWVOUUCV-MJGOQNOKSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC(=C)C)C2)CC1 ZINC001025631226 683169763 /nfs/dbraw/zinc/16/97/63/683169763.db2.gz YRACNXQNPWSHBA-MJGOQNOKSA-N 2 1 331.504 2.124 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC000978730084 693850993 /nfs/dbraw/zinc/85/09/93/693850993.db2.gz BDNHGHBIJHGSFR-OWYHZJEWSA-N 2 1 342.487 2.014 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC000978730084 693850996 /nfs/dbraw/zinc/85/09/96/693850996.db2.gz BDNHGHBIJHGSFR-OWYHZJEWSA-N 2 1 342.487 2.014 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001026583327 684760079 /nfs/dbraw/zinc/76/00/79/684760079.db2.gz QRMQWLPRKQYQRN-UHFFFAOYSA-N 2 1 339.443 2.474 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511701 684805481 /nfs/dbraw/zinc/80/54/81/684805481.db2.gz YCGRWBWOTXBHOL-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008511701 684805486 /nfs/dbraw/zinc/80/54/86/684805486.db2.gz YCGRWBWOTXBHOL-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008511701 684805492 /nfs/dbraw/zinc/80/54/92/684805492.db2.gz YCGRWBWOTXBHOL-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975033673 686084067 /nfs/dbraw/zinc/08/40/67/686084067.db2.gz FVDZCSUKFIEVDB-RDJZCZTQSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975033673 686084070 /nfs/dbraw/zinc/08/40/70/686084070.db2.gz FVDZCSUKFIEVDB-RDJZCZTQSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CCC3CC3)C2)CC1 ZINC001027694203 694002375 /nfs/dbraw/zinc/00/23/75/694002375.db2.gz UMOUXKHAJNHKOL-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC1 ZINC001029596448 686466153 /nfs/dbraw/zinc/46/61/53/686466153.db2.gz LIKBOCXUNIWRKC-KDURUIRLSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000985469906 686963267 /nfs/dbraw/zinc/96/32/67/686963267.db2.gz KRHRGJWIZRRKOJ-OAHLLOKOSA-N 2 1 336.867 2.436 20 30 EEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000985469906 686963271 /nfs/dbraw/zinc/96/32/71/686963271.db2.gz KRHRGJWIZRRKOJ-OAHLLOKOSA-N 2 1 336.867 2.436 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001027463648 692211957 /nfs/dbraw/zinc/21/19/57/692211957.db2.gz GENMLEAWKUFCSE-RTBURBONSA-N 2 1 342.487 2.321 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001089873176 1192176479 /nfs/dbraw/zinc/17/64/79/1192176479.db2.gz PCIOZYWVCQNINM-XSLAGTTESA-N 2 1 342.487 2.361 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001089873176 1192176483 /nfs/dbraw/zinc/17/64/83/1192176483.db2.gz PCIOZYWVCQNINM-XSLAGTTESA-N 2 1 342.487 2.361 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001421764979 1181490481 /nfs/dbraw/zinc/49/04/81/1181490481.db2.gz CYLGLDHQYCGITP-OCCSQVGLSA-N 2 1 346.313 2.111 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212288 1187084925 /nfs/dbraw/zinc/08/49/25/1187084925.db2.gz XUVHGZGEEIKBMK-ZIAGYGMSSA-N 2 1 335.414 2.272 20 30 EEEDMP N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272807624 1193523505 /nfs/dbraw/zinc/52/35/05/1193523505.db2.gz CRZIRFAEAPKFTG-LJQANCHMSA-N 2 1 341.459 2.003 20 30 EEEDMP N#CCCCN1CC[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272807624 1193523507 /nfs/dbraw/zinc/52/35/07/1193523507.db2.gz CRZIRFAEAPKFTG-LJQANCHMSA-N 2 1 341.459 2.003 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991068781 1189834634 /nfs/dbraw/zinc/83/46/34/1189834634.db2.gz PQQCTWQQCAGIKV-NLWGTHIKSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000991068781 1189834643 /nfs/dbraw/zinc/83/46/43/1189834643.db2.gz PQQCTWQQCAGIKV-NLWGTHIKSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000991068781 1189834649 /nfs/dbraw/zinc/83/46/49/1189834649.db2.gz PQQCTWQQCAGIKV-NLWGTHIKSA-N 2 1 331.504 2.386 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001484983339 1191601338 /nfs/dbraw/zinc/60/13/38/1191601338.db2.gz WCCCPWDCDAHTBO-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001484983339 1191601340 /nfs/dbraw/zinc/60/13/40/1191601340.db2.gz WCCCPWDCDAHTBO-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001484983339 1191601342 /nfs/dbraw/zinc/60/13/42/1191601342.db2.gz WCCCPWDCDAHTBO-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485264688 1191710459 /nfs/dbraw/zinc/71/04/59/1191710459.db2.gz JIAZAVDHIDAMAC-GOSISDBHSA-N 2 1 342.487 2.084 20 30 EEEDMP C=C(Cl)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033836880 1195353756 /nfs/dbraw/zinc/35/37/56/1195353756.db2.gz FKYPSGJVQSMMCC-OWCLPIDISA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033898743 1195467038 /nfs/dbraw/zinc/46/70/38/1195467038.db2.gz YVXOUEOAJKBWOB-QGZVFWFLSA-N 2 1 339.443 2.380 20 30 EEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304849 1196072804 /nfs/dbraw/zinc/07/28/04/1196072804.db2.gz YURXJBDHPREHQH-HNNXBMFYSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468975 1196272717 /nfs/dbraw/zinc/27/27/17/1196272717.db2.gz UEGIJPPNWFRCQM-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468975 1196272719 /nfs/dbraw/zinc/27/27/19/1196272719.db2.gz UEGIJPPNWFRCQM-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001034715187 1196604461 /nfs/dbraw/zinc/60/44/61/1196604461.db2.gz JQFGYCRGLVEDCX-ZHALLVOQSA-N 2 1 331.504 2.434 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001034963676 1196944761 /nfs/dbraw/zinc/94/47/61/1196944761.db2.gz ZZXXIAFBVPXCOV-MOPGFXCFSA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001034963676 1196944764 /nfs/dbraw/zinc/94/47/64/1196944764.db2.gz ZZXXIAFBVPXCOV-MOPGFXCFSA-N 2 1 343.446 2.004 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309970 1199560388 /nfs/dbraw/zinc/56/03/88/1199560388.db2.gz HIWHEVGOIWDEPE-IRXDYDNUSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309970 1199560393 /nfs/dbraw/zinc/56/03/93/1199560393.db2.gz HIWHEVGOIWDEPE-IRXDYDNUSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309970 1199560398 /nfs/dbraw/zinc/56/03/98/1199560398.db2.gz HIWHEVGOIWDEPE-IRXDYDNUSA-N 2 1 339.524 2.136 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132348969 1199612548 /nfs/dbraw/zinc/61/25/48/1199612548.db2.gz VVEXFGWXBRVUKZ-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132348969 1199612552 /nfs/dbraw/zinc/61/25/52/1199612552.db2.gz VVEXFGWXBRVUKZ-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132522267 1199831728 /nfs/dbraw/zinc/83/17/28/1199831728.db2.gz NSCLIHYAAJEBCV-LPHOPBHVSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132522267 1199831731 /nfs/dbraw/zinc/83/17/31/1199831731.db2.gz NSCLIHYAAJEBCV-LPHOPBHVSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132522267 1199831734 /nfs/dbraw/zinc/83/17/34/1199831734.db2.gz NSCLIHYAAJEBCV-LPHOPBHVSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132522267 1199831737 /nfs/dbraw/zinc/83/17/37/1199831737.db2.gz NSCLIHYAAJEBCV-LPHOPBHVSA-N 2 1 342.487 2.368 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001114445603 1200072654 /nfs/dbraw/zinc/07/26/54/1200072654.db2.gz UAQHOYDROKJQQB-XDNAFOTISA-N 2 1 330.476 2.483 20 30 EEEDMP C#CC[N@@H+](C)CCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000883131005 1202017958 /nfs/dbraw/zinc/01/79/58/1202017958.db2.gz ANLZINGYGULZIC-UHFFFAOYSA-N 2 1 335.879 2.221 20 30 EEEDMP C#CCN(C)CCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000883131005 1202017960 /nfs/dbraw/zinc/01/79/60/1202017960.db2.gz ANLZINGYGULZIC-UHFFFAOYSA-N 2 1 335.879 2.221 20 30 EEEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3c[nH]c4ccc(C#N)cc34)[C@@H]2C1 ZINC001275949207 1205599316 /nfs/dbraw/zinc/59/93/16/1205599316.db2.gz BWVKDRSKYNTUMN-OXJNMPFZSA-N 2 1 337.471 2.107 20 30 EEEDMP C[NH+]=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@H]1CCCS1 ZINC000157347349 1208373176 /nfs/dbraw/zinc/37/31/76/1208373176.db2.gz AKXQWGPJYAPWMG-QGZVFWFLSA-N 2 1 332.517 2.105 20 30 EEEDMP C[NH+]=C(NCC[N@H+]1CCc2ccccc2C1)NC[C@H]1CCCS1 ZINC000157347349 1208373179 /nfs/dbraw/zinc/37/31/79/1208373179.db2.gz AKXQWGPJYAPWMG-QGZVFWFLSA-N 2 1 332.517 2.105 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947857668 1208748896 /nfs/dbraw/zinc/74/88/96/1208748896.db2.gz PSIVPNHVRDYBDG-NVXWUHKLSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947857668 1208748899 /nfs/dbraw/zinc/74/88/99/1208748899.db2.gz PSIVPNHVRDYBDG-NVXWUHKLSA-N 2 1 339.443 2.426 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948779236 1209370909 /nfs/dbraw/zinc/37/09/09/1209370909.db2.gz LMYHVUOOGIYEAF-ROUUACIJSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948779236 1209370910 /nfs/dbraw/zinc/37/09/10/1209370910.db2.gz LMYHVUOOGIYEAF-ROUUACIJSA-N 2 1 342.487 2.090 20 30 EEEDMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000948916165 1209450495 /nfs/dbraw/zinc/45/04/95/1209450495.db2.gz PAGZYRKDHFOAJX-PMACEKPBSA-N 2 1 339.483 2.230 20 30 EEEDMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000948916165 1209450497 /nfs/dbraw/zinc/45/04/97/1209450497.db2.gz PAGZYRKDHFOAJX-PMACEKPBSA-N 2 1 339.483 2.230 20 30 EEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001095810261 1210389473 /nfs/dbraw/zinc/38/94/73/1210389473.db2.gz ORAUZNKYQBLBFB-NEWSRXKRSA-N 2 1 327.472 2.312 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303718910 1213892378 /nfs/dbraw/zinc/89/23/78/1213892378.db2.gz VLQAEHDUJWSMLU-KRWDZBQOSA-N 2 1 349.910 2.261 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)COCc1ccccc1 ZINC000303876273 1213917259 /nfs/dbraw/zinc/91/72/59/1213917259.db2.gz IBFWFPXRWLEZTC-AEFFLSMTSA-N 2 1 332.492 2.228 20 30 EEEDMP CCc1ccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000303890937 1213921614 /nfs/dbraw/zinc/92/16/14/1213921614.db2.gz QIFAPEFIGBZUFS-INIZCTEOSA-N 2 1 331.508 2.249 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000957561032 1215212111 /nfs/dbraw/zinc/21/21/11/1215212111.db2.gz DPKMTJAQZRDKMD-UHFFFAOYSA-N 2 1 331.504 2.199 20 30 EEEDMP COc1ccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(C#N)c1 ZINC001276314379 1215701923 /nfs/dbraw/zinc/70/19/23/1215701923.db2.gz FHOTYVHDBGHOFQ-UHFFFAOYSA-N 2 1 342.487 2.026 20 30 EEEDMP COc1ccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(C#N)c1 ZINC001276314379 1215701926 /nfs/dbraw/zinc/70/19/26/1215701926.db2.gz FHOTYVHDBGHOFQ-UHFFFAOYSA-N 2 1 342.487 2.026 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961432785 1217188031 /nfs/dbraw/zinc/18/80/31/1217188031.db2.gz SHKOFLWEPKPNTB-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432785 1217188033 /nfs/dbraw/zinc/18/80/33/1217188033.db2.gz SHKOFLWEPKPNTB-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432785 1217188036 /nfs/dbraw/zinc/18/80/36/1217188036.db2.gz SHKOFLWEPKPNTB-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963393952 1217591621 /nfs/dbraw/zinc/59/16/21/1217591621.db2.gz ZXPHRRGECBGHAI-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967319223 1220410642 /nfs/dbraw/zinc/41/06/42/1220410642.db2.gz YBKLMPATCXSMQI-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008613431 1222960582 /nfs/dbraw/zinc/96/05/82/1222960582.db2.gz XVHQJJIDPIJFDN-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008613431 1222960584 /nfs/dbraw/zinc/96/05/84/1222960584.db2.gz XVHQJJIDPIJFDN-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008613431 1222960588 /nfs/dbraw/zinc/96/05/88/1222960588.db2.gz XVHQJJIDPIJFDN-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200895 1223173538 /nfs/dbraw/zinc/17/35/38/1223173538.db2.gz ILSTVONOXHTIMN-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200895 1223173541 /nfs/dbraw/zinc/17/35/41/1223173541.db2.gz ILSTVONOXHTIMN-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200895 1223173544 /nfs/dbraw/zinc/17/35/44/1223173544.db2.gz ILSTVONOXHTIMN-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200895 1223173547 /nfs/dbraw/zinc/17/35/47/1223173547.db2.gz ILSTVONOXHTIMN-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001020145731 1229509943 /nfs/dbraw/zinc/50/99/43/1229509943.db2.gz PKQFBASZYLGLHH-FHWLQOOXSA-N 2 1 340.471 2.168 20 30 EEEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001020240115 1229574816 /nfs/dbraw/zinc/57/48/16/1229574816.db2.gz WQFLBCRZCRNULO-BZSNNMDCSA-N 2 1 349.438 2.069 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039131503 1230341030 /nfs/dbraw/zinc/34/10/30/1230341030.db2.gz NXZZYWZOYALSER-MOPGFXCFSA-N 2 1 331.504 2.075 20 30 EEEDMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039235620 1230469474 /nfs/dbraw/zinc/46/94/74/1230469474.db2.gz QQYXWKRDFBJPRE-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039235620 1230469476 /nfs/dbraw/zinc/46/94/76/1230469476.db2.gz QQYXWKRDFBJPRE-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001039424508 1230601817 /nfs/dbraw/zinc/60/18/17/1230601817.db2.gz UENAPMJWSSCHTA-LMMKCTJWSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001039424508 1230601820 /nfs/dbraw/zinc/60/18/20/1230601820.db2.gz UENAPMJWSSCHTA-LMMKCTJWSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039458367 1230624993 /nfs/dbraw/zinc/62/49/93/1230624993.db2.gz RTWVEMJXVSGJGM-MOPGFXCFSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095934986 1230954163 /nfs/dbraw/zinc/95/41/63/1230954163.db2.gz YCKCJIGVRIXIES-MVJTYMMSSA-N 2 1 328.460 2.052 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095934986 1230954165 /nfs/dbraw/zinc/95/41/65/1230954165.db2.gz YCKCJIGVRIXIES-MVJTYMMSSA-N 2 1 328.460 2.052 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC2CC2)CC1 ZINC001040014221 1230964098 /nfs/dbraw/zinc/96/40/98/1230964098.db2.gz HMCVMOLGVUMZBT-BGYRXZFFSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040208094 1231104463 /nfs/dbraw/zinc/10/44/63/1231104463.db2.gz IYTUGBGWGAUTIL-UYAOXDASSA-N 2 1 331.504 2.219 20 30 EEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041349503 1231515142 /nfs/dbraw/zinc/51/51/42/1231515142.db2.gz PFDDVVSTDQVNHO-UYAOXDASSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349503 1231515144 /nfs/dbraw/zinc/51/51/44/1231515144.db2.gz PFDDVVSTDQVNHO-UYAOXDASSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349503 1231515146 /nfs/dbraw/zinc/51/51/46/1231515146.db2.gz PFDDVVSTDQVNHO-UYAOXDASSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268373 1231993768 /nfs/dbraw/zinc/99/37/68/1231993768.db2.gz CJNIBOBMRRKAEX-AZUAARDMSA-N 2 1 339.483 2.308 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001096015861 1233589825 /nfs/dbraw/zinc/58/98/25/1233589825.db2.gz SWLKYKBHJJYLKH-PASDCYSWSA-N 2 1 337.483 2.497 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015861 1233589828 /nfs/dbraw/zinc/58/98/28/1233589828.db2.gz SWLKYKBHJJYLKH-PASDCYSWSA-N 2 1 337.483 2.497 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015861 1233589830 /nfs/dbraw/zinc/58/98/30/1233589830.db2.gz SWLKYKBHJJYLKH-PASDCYSWSA-N 2 1 337.483 2.497 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1ncc[nH]1)C2 ZINC001045935654 1234188406 /nfs/dbraw/zinc/18/84/06/1234188406.db2.gz PQGPRIWAQQCCSJ-LJQANCHMSA-N 2 1 328.460 2.070 20 30 EEEDMP C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046953964 1235350450 /nfs/dbraw/zinc/35/04/50/1235350450.db2.gz MWTGLFUWHUNQDC-OAHLLOKOSA-N 2 1 346.381 2.045 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047230941 1235707198 /nfs/dbraw/zinc/70/71/98/1235707198.db2.gz ITCSUOQKOQQHPS-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047261341 1235768651 /nfs/dbraw/zinc/76/86/51/1235768651.db2.gz FCMZTJSECRNNEK-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001096314562 1237329587 /nfs/dbraw/zinc/32/95/87/1237329587.db2.gz NHADAURKYNHUFD-YDZRNGNQSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096314562 1237329593 /nfs/dbraw/zinc/32/95/93/1237329593.db2.gz NHADAURKYNHUFD-YDZRNGNQSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096314562 1237329598 /nfs/dbraw/zinc/32/95/98/1237329598.db2.gz NHADAURKYNHUFD-YDZRNGNQSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096314562 1237329604 /nfs/dbraw/zinc/32/96/04/1237329604.db2.gz NHADAURKYNHUFD-YDZRNGNQSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048533852 1237898071 /nfs/dbraw/zinc/89/80/71/1237898071.db2.gz LPGRHOTULWIMNN-RNQOJCNYSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001048533852 1237898082 /nfs/dbraw/zinc/89/80/82/1237898082.db2.gz LPGRHOTULWIMNN-RNQOJCNYSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001048533852 1237898089 /nfs/dbraw/zinc/89/80/89/1237898089.db2.gz LPGRHOTULWIMNN-RNQOJCNYSA-N 2 1 343.515 2.386 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003265 1239717413 /nfs/dbraw/zinc/71/74/13/1239717413.db2.gz FVWXIKBGSGUOFG-SCTDSRPQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003265 1239717419 /nfs/dbraw/zinc/71/74/19/1239717419.db2.gz FVWXIKBGSGUOFG-SCTDSRPQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003265 1239717430 /nfs/dbraw/zinc/71/74/30/1239717430.db2.gz FVWXIKBGSGUOFG-SCTDSRPQSA-N 2 1 331.504 2.360 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC001000185289 1240039722 /nfs/dbraw/zinc/03/97/22/1240039722.db2.gz NSYCBHFNIDOAMO-RBUKOAKNSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)CC1 ZINC001000242125 1240094575 /nfs/dbraw/zinc/09/45/75/1240094575.db2.gz AZSXNKWZRNWBGT-KRWDZBQOSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCc4[nH]cnc43)CC2)CC1 ZINC001000256261 1240105131 /nfs/dbraw/zinc/10/51/31/1240105131.db2.gz LJRRTSFNWGVOOJ-OAHLLOKOSA-N 2 1 328.460 2.376 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235884 1240342212 /nfs/dbraw/zinc/34/22/12/1240342212.db2.gz XPINXCKJWJEEOK-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000687737 1240736782 /nfs/dbraw/zinc/73/67/82/1240736782.db2.gz HTTRHWWHRXSPSY-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049524911 1241246385 /nfs/dbraw/zinc/24/63/85/1241246385.db2.gz OQHUJRMYYWPWLH-IPMKNSEASA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049524911 1241246398 /nfs/dbraw/zinc/24/63/98/1241246398.db2.gz OQHUJRMYYWPWLH-IPMKNSEASA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049524911 1241246406 /nfs/dbraw/zinc/24/64/06/1241246406.db2.gz OQHUJRMYYWPWLH-IPMKNSEASA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787709 1242184022 /nfs/dbraw/zinc/18/40/22/1242184022.db2.gz JSAIQZXZSSLNML-UXHICEINSA-N 2 1 339.483 2.450 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053027607 1245707072 /nfs/dbraw/zinc/70/70/72/1245707072.db2.gz FKUAVYBORIJJST-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027607 1245707078 /nfs/dbraw/zinc/70/70/78/1245707078.db2.gz FKUAVYBORIJJST-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027607 1245707087 /nfs/dbraw/zinc/70/70/87/1245707087.db2.gz FKUAVYBORIJJST-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053104163 1245916383 /nfs/dbraw/zinc/91/63/83/1245916383.db2.gz CQGQPWXRABKTNG-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CCO2 ZINC001053286843 1246143077 /nfs/dbraw/zinc/14/30/77/1246143077.db2.gz FOLXXZBBHFVGSK-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CCO2 ZINC001053286843 1246143080 /nfs/dbraw/zinc/14/30/80/1246143080.db2.gz FOLXXZBBHFVGSK-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001052248883 1246758270 /nfs/dbraw/zinc/75/82/70/1246758270.db2.gz BBSMSFJAZVWWAT-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001052248883 1246758291 /nfs/dbraw/zinc/75/82/91/1246758291.db2.gz BBSMSFJAZVWWAT-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001052248883 1246758299 /nfs/dbraw/zinc/75/82/99/1246758299.db2.gz BBSMSFJAZVWWAT-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052425643 1247253594 /nfs/dbraw/zinc/25/35/94/1247253594.db2.gz AFXLVHBVLUJGRN-MRXNPFEDSA-N 2 1 333.501 2.417 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052590199 1247620695 /nfs/dbraw/zinc/62/06/95/1247620695.db2.gz VXQZPBDAEMRCRR-LJQANCHMSA-N 2 1 341.499 2.398 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CCC)C2 ZINC001054268261 1247944917 /nfs/dbraw/zinc/94/49/17/1247944917.db2.gz SCOIGORWDDEPJR-IBGZPJMESA-N 2 1 325.456 2.126 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CCC)C2 ZINC001054268261 1247944931 /nfs/dbraw/zinc/94/49/31/1247944931.db2.gz SCOIGORWDDEPJR-IBGZPJMESA-N 2 1 325.456 2.126 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CCC)C2 ZINC001054268261 1247944946 /nfs/dbraw/zinc/94/49/46/1247944946.db2.gz SCOIGORWDDEPJR-IBGZPJMESA-N 2 1 325.456 2.126 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CCC)C2 ZINC001054268261 1247944957 /nfs/dbraw/zinc/94/49/57/1247944957.db2.gz SCOIGORWDDEPJR-IBGZPJMESA-N 2 1 325.456 2.126 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CC1CC1)C2 ZINC001054269380 1247952900 /nfs/dbraw/zinc/95/29/00/1247952900.db2.gz XYQDGOSESKNKHD-FQEVSTJZSA-N 2 1 337.467 2.126 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CC1CC1)C2 ZINC001054269380 1247952908 /nfs/dbraw/zinc/95/29/08/1247952908.db2.gz XYQDGOSESKNKHD-FQEVSTJZSA-N 2 1 337.467 2.126 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC1CC1)C2 ZINC001054269380 1247952917 /nfs/dbraw/zinc/95/29/17/1247952917.db2.gz XYQDGOSESKNKHD-FQEVSTJZSA-N 2 1 337.467 2.126 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC1CC1)C2 ZINC001054269380 1247952925 /nfs/dbraw/zinc/95/29/25/1247952925.db2.gz XYQDGOSESKNKHD-FQEVSTJZSA-N 2 1 337.467 2.126 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071677002 1254497891 /nfs/dbraw/zinc/49/78/91/1254497891.db2.gz QOCFDKVTZVJGFM-JKSUJKDBSA-N 2 1 339.443 2.426 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071828832 1254689264 /nfs/dbraw/zinc/68/92/64/1254689264.db2.gz VLTTUZNGEBIISF-LPHOPBHVSA-N 2 1 327.472 2.007 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115956 1257976384 /nfs/dbraw/zinc/97/63/84/1257976384.db2.gz LYYDERDBFMPMNN-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099115956 1257976393 /nfs/dbraw/zinc/97/63/93/1257976393.db2.gz LYYDERDBFMPMNN-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001099115956 1257976396 /nfs/dbraw/zinc/97/63/96/1257976396.db2.gz LYYDERDBFMPMNN-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CCC)C1 ZINC001099551795 1258200505 /nfs/dbraw/zinc/20/05/05/1258200505.db2.gz DEPOBXAGELOONT-QAETUUGQSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099551795 1258200512 /nfs/dbraw/zinc/20/05/12/1258200512.db2.gz DEPOBXAGELOONT-QAETUUGQSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099551795 1258200517 /nfs/dbraw/zinc/20/05/17/1258200517.db2.gz DEPOBXAGELOONT-QAETUUGQSA-N 2 1 339.911 2.250 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001100829843 1259311282 /nfs/dbraw/zinc/31/12/82/1259311282.db2.gz NPPGUHBBOAZMPV-UHFFFAOYSA-N 2 1 346.450 2.024 20 30 EEEDMP C=CCOCC[N@@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001198244369 1285052712 /nfs/dbraw/zinc/05/27/12/1285052712.db2.gz XKNYPPVWILYLKY-UHFFFAOYSA-N 2 1 345.487 2.099 20 30 EEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001202505039 1295186433 /nfs/dbraw/zinc/18/64/33/1295186433.db2.gz ZCHROEPGZABYAX-MRXNPFEDSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213588576 1296098238 /nfs/dbraw/zinc/09/82/38/1296098238.db2.gz LLERPLBFAYQHSM-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588576 1296098257 /nfs/dbraw/zinc/09/82/57/1296098257.db2.gz LLERPLBFAYQHSM-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588576 1296098274 /nfs/dbraw/zinc/09/82/74/1296098274.db2.gz LLERPLBFAYQHSM-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001215972885 1297029226 /nfs/dbraw/zinc/02/92/26/1297029226.db2.gz BQIICQKNNQAYHO-QZTJIDSGSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037456 1297914609 /nfs/dbraw/zinc/91/46/09/1297914609.db2.gz LKKRURTZHHCMLG-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659250 1298977987 /nfs/dbraw/zinc/97/79/87/1298977987.db2.gz KMKLUHMPYWMOBK-IEBWSBKVSA-N 2 1 342.487 2.407 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047806 1300197112 /nfs/dbraw/zinc/19/71/12/1300197112.db2.gz TWFQPBFLHIBTMJ-BRWVUGGUSA-N 2 1 330.476 2.411 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047806 1300197116 /nfs/dbraw/zinc/19/71/16/1300197116.db2.gz TWFQPBFLHIBTMJ-BRWVUGGUSA-N 2 1 330.476 2.411 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001102473922 1301117738 /nfs/dbraw/zinc/11/77/38/1301117738.db2.gz WNCOMMYKVJGQJH-UYAOXDASSA-N 2 1 341.499 2.064 20 30 EEEDMP C=CCCCCC[NH+]1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001277152728 1301535475 /nfs/dbraw/zinc/53/54/75/1301535475.db2.gz UNFYDTWLLYXTKW-GOSISDBHSA-N 2 1 349.519 2.177 20 30 EEEDMP C[NH+](C)C1(C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)CCC1 ZINC001227807598 1301972241 /nfs/dbraw/zinc/97/22/41/1301972241.db2.gz USMMMCBBHLEFKP-UHFFFAOYSA-N 2 1 346.500 2.185 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102993604 1302037737 /nfs/dbraw/zinc/03/77/37/1302037737.db2.gz CGODKBOIOTUJDA-BHIYHBOVSA-N 2 1 333.520 2.369 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162900 1302361574 /nfs/dbraw/zinc/36/15/74/1302361574.db2.gz OUROACOTYVZAMT-QZTJIDSGSA-N 2 1 342.487 2.005 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001103271278 1302623115 /nfs/dbraw/zinc/62/31/15/1302623115.db2.gz HOIRNRWPLSIDGK-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436310 1302959358 /nfs/dbraw/zinc/95/93/58/1302959358.db2.gz SUDQFFAIUYWPFQ-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436310 1302959359 /nfs/dbraw/zinc/95/93/59/1302959359.db2.gz SUDQFFAIUYWPFQ-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1cccnc1 ZINC001230800898 1303467458 /nfs/dbraw/zinc/46/74/58/1303467458.db2.gz UJJQEBXQPDSAKP-UHFFFAOYSA-N 2 1 341.459 2.171 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1cccnc1 ZINC001230800898 1303467462 /nfs/dbraw/zinc/46/74/62/1303467462.db2.gz UJJQEBXQPDSAKP-UHFFFAOYSA-N 2 1 341.459 2.171 20 30 EEEDMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccnc1 ZINC001230917606 1303544624 /nfs/dbraw/zinc/54/46/24/1303544624.db2.gz CTDZJABAESUAAQ-IBGZPJMESA-N 2 1 344.503 2.308 20 30 EEEDMP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230917606 1303544626 /nfs/dbraw/zinc/54/46/26/1303544626.db2.gz CTDZJABAESUAAQ-IBGZPJMESA-N 2 1 344.503 2.308 20 30 EEEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230917606 1303544629 /nfs/dbraw/zinc/54/46/29/1303544629.db2.gz CTDZJABAESUAAQ-IBGZPJMESA-N 2 1 344.503 2.308 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C(F)(F)F ZINC001112179786 1304301436 /nfs/dbraw/zinc/30/14/36/1304301436.db2.gz JUZZNRNRWGUYFB-HUUCEWRRSA-N 2 1 347.425 2.111 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001115288667 1304906538 /nfs/dbraw/zinc/90/65/38/1304906538.db2.gz WJZZQTLXPUUOSZ-BWTSREIZSA-N 2 1 327.472 2.374 20 30 EEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001121133882 1309926511 /nfs/dbraw/zinc/92/65/11/1309926511.db2.gz JXDZJQLHZOMYMX-DKWICNMVSA-N 2 1 328.460 2.047 20 30 EEEDMP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001121595620 1310063059 /nfs/dbraw/zinc/06/30/59/1310063059.db2.gz UIUXWIWHSSVQFF-BBWFWOEESA-N 2 1 346.523 2.192 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001121595620 1310063065 /nfs/dbraw/zinc/06/30/65/1310063065.db2.gz UIUXWIWHSSVQFF-BBWFWOEESA-N 2 1 346.523 2.192 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001121595620 1310063074 /nfs/dbraw/zinc/06/30/74/1310063074.db2.gz UIUXWIWHSSVQFF-BBWFWOEESA-N 2 1 346.523 2.192 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001161683474 1320587093 /nfs/dbraw/zinc/58/70/93/1320587093.db2.gz XCHCCBZJQNHPLV-HXUWFJFHSA-N 2 1 339.483 2.451 20 30 EEEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001161683474 1320587096 /nfs/dbraw/zinc/58/70/96/1320587096.db2.gz XCHCCBZJQNHPLV-HXUWFJFHSA-N 2 1 339.483 2.451 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001161683474 1320587098 /nfs/dbraw/zinc/58/70/98/1320587098.db2.gz XCHCCBZJQNHPLV-HXUWFJFHSA-N 2 1 339.483 2.451 20 30 EEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114541 1314812567 /nfs/dbraw/zinc/81/25/67/1314812567.db2.gz WYANKZZLJCRKCW-VQTJNVASSA-N 2 1 337.471 2.250 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001150386109 1316251732 /nfs/dbraw/zinc/25/17/32/1316251732.db2.gz KALJZWACVODRHX-QGZVFWFLSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001150386109 1316251740 /nfs/dbraw/zinc/25/17/40/1316251740.db2.gz KALJZWACVODRHX-QGZVFWFLSA-N 2 1 348.491 2.180 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904505 1317378321 /nfs/dbraw/zinc/37/83/21/1317378321.db2.gz VJLDDLXLQZMDRS-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP C#CCOCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529950 1318764120 /nfs/dbraw/zinc/76/41/20/1318764120.db2.gz ZFMPUBLZSMVECM-ICSRJNTNSA-N 2 1 330.472 2.296 20 30 EEEDMP C#CCOCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529950 1318764122 /nfs/dbraw/zinc/76/41/22/1318764122.db2.gz ZFMPUBLZSMVECM-ICSRJNTNSA-N 2 1 330.472 2.296 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157965321 1318951922 /nfs/dbraw/zinc/95/19/22/1318951922.db2.gz YXURIYNXAZNGFC-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157965321 1318951925 /nfs/dbraw/zinc/95/19/25/1318951925.db2.gz YXURIYNXAZNGFC-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001258727123 1319328790 /nfs/dbraw/zinc/32/87/90/1319328790.db2.gz FMJNLNYIXMNMBH-SJLPKXTDSA-N 2 1 347.507 2.181 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001258727123 1319328804 /nfs/dbraw/zinc/32/88/04/1319328804.db2.gz FMJNLNYIXMNMBH-SJLPKXTDSA-N 2 1 347.507 2.181 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001258731502 1319331813 /nfs/dbraw/zinc/33/18/13/1319331813.db2.gz YUJFSUWSLCUYNP-INIZCTEOSA-N 2 1 330.476 2.400 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCc1ccccc1C ZINC001160209584 1320100504 /nfs/dbraw/zinc/10/05/04/1320100504.db2.gz RIPFAJQUTOWMEE-FQEVSTJZSA-N 2 1 341.499 2.121 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCc1ccccc1C ZINC001160209584 1320100509 /nfs/dbraw/zinc/10/05/09/1320100509.db2.gz RIPFAJQUTOWMEE-FQEVSTJZSA-N 2 1 341.499 2.121 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001160274186 1320119772 /nfs/dbraw/zinc/11/97/72/1320119772.db2.gz QFVDKOUYSQHINZ-SFHVURJKSA-N 2 1 328.460 2.029 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001161248932 1320433217 /nfs/dbraw/zinc/43/32/17/1320433217.db2.gz SHGJDUIWQYKREB-SFHVURJKSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001162746494 1320948111 /nfs/dbraw/zinc/94/81/11/1320948111.db2.gz FJSDEEWQLQUHIQ-LJQANCHMSA-N 2 1 329.488 2.318 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001164450189 1321383030 /nfs/dbraw/zinc/38/30/30/1321383030.db2.gz ZXESGCSBZCUEEW-CQSZACIVSA-N 2 1 346.313 2.113 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208074178 1324302083 /nfs/dbraw/zinc/30/20/83/1324302083.db2.gz UEFBFGVMRVPMEG-SJORKVTESA-N 2 1 348.491 2.180 20 30 EEEDMP COC(=O)CC[N@H+](CCCc1ccc(C#N)cc1)CCC[NH+](C)C ZINC001208857560 1324693948 /nfs/dbraw/zinc/69/39/48/1324693948.db2.gz GQAWTASDOQZYDS-UHFFFAOYSA-N 2 1 331.460 2.308 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209221285 1324860461 /nfs/dbraw/zinc/86/04/61/1324860461.db2.gz AKZUCEFCSKTKCH-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209232557 1324866990 /nfs/dbraw/zinc/86/69/90/1324866990.db2.gz KGXAAVZUJVRSKW-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001210483516 1325303557 /nfs/dbraw/zinc/30/35/57/1325303557.db2.gz ZVHRJFHMOSLFHZ-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CC[NH2+]CC1 ZINC001574666744 1343693247 /nfs/dbraw/zinc/69/32/47/1343693247.db2.gz GWRSEZIHIZIALG-UHFFFAOYSA-N 2 1 337.826 2.495 20 30 EEEDMP C#CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CC[NH2+]CC1 ZINC001574666744 1343693249 /nfs/dbraw/zinc/69/32/49/1343693249.db2.gz GWRSEZIHIZIALG-UHFFFAOYSA-N 2 1 337.826 2.495 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135029869 1367997258 /nfs/dbraw/zinc/99/72/58/1367997258.db2.gz UCQXTCVZDWBZQR-HUUCEWRRSA-N 2 1 339.443 2.136 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC/C=C/CCC)CC1 ZINC001201093679 1368779055 /nfs/dbraw/zinc/77/90/55/1368779055.db2.gz HNJCDXRSOOMBEL-GHOSXJJBSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC/C=C/CCC)CC1 ZINC001201093679 1368779058 /nfs/dbraw/zinc/77/90/58/1368779058.db2.gz HNJCDXRSOOMBEL-GHOSXJJBSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001112410528 1371433994 /nfs/dbraw/zinc/43/39/94/1371433994.db2.gz CFAVTBMHZBDFAZ-NSHGMRRFSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001343721260 1372960289 /nfs/dbraw/zinc/96/02/89/1372960289.db2.gz FJBQUSNZVFVLML-IPMKNSEASA-N 2 1 327.472 2.403 20 30 EEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001357572677 1373217034 /nfs/dbraw/zinc/21/70/34/1373217034.db2.gz JRXILPVHCPXHMV-RBUKOAKNSA-N 2 1 345.487 2.077 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001367862043 1374291063 /nfs/dbraw/zinc/29/10/63/1374291063.db2.gz MGGLNAMNWHQCCZ-HOCLYGCPSA-N 2 1 327.900 2.488 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001368396973 1374383507 /nfs/dbraw/zinc/38/35/07/1374383507.db2.gz DIEAHVHBKUPOPL-RTBURBONSA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001368396973 1374383508 /nfs/dbraw/zinc/38/35/08/1374383508.db2.gz DIEAHVHBKUPOPL-RTBURBONSA-N 2 1 342.487 2.177 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001370906482 1375116210 /nfs/dbraw/zinc/11/62/10/1375116210.db2.gz UXOBJDXQMFJKCW-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001370906482 1375116214 /nfs/dbraw/zinc/11/62/14/1375116214.db2.gz UXOBJDXQMFJKCW-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001370906482 1375116218 /nfs/dbraw/zinc/11/62/18/1375116218.db2.gz UXOBJDXQMFJKCW-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001377396019 1379203438 /nfs/dbraw/zinc/20/34/38/1379203438.db2.gz UJKQUHRUZJJKRL-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001377396019 1379203458 /nfs/dbraw/zinc/20/34/58/1379203458.db2.gz UJKQUHRUZJJKRL-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001377396019 1379203463 /nfs/dbraw/zinc/20/34/63/1379203463.db2.gz UJKQUHRUZJJKRL-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC#CC[N@H+](CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001752290024 1406266805 /nfs/dbraw/zinc/26/68/05/1406266805.db2.gz HXMQDSWWNZDARO-LJQANCHMSA-N 2 1 327.472 2.283 20 30 EEEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001752290024 1406266807 /nfs/dbraw/zinc/26/68/07/1406266807.db2.gz HXMQDSWWNZDARO-LJQANCHMSA-N 2 1 327.472 2.283 20 30 EEEDMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC001391134586 1389062575 /nfs/dbraw/zinc/06/25/75/1389062575.db2.gz AYSZTGXLWJZVSU-UHFFFAOYSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)CC#Cc1ccccc1 ZINC001753082054 1406672024 /nfs/dbraw/zinc/67/20/24/1406672024.db2.gz AAUHCYZRNUJYIX-HXUWFJFHSA-N 2 1 341.499 2.351 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)CC#Cc1ccccc1 ZINC001753082054 1406672031 /nfs/dbraw/zinc/67/20/31/1406672031.db2.gz AAUHCYZRNUJYIX-HXUWFJFHSA-N 2 1 341.499 2.351 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)CC#Cc1ccccc1 ZINC001753082054 1406672046 /nfs/dbraw/zinc/67/20/46/1406672046.db2.gz AAUHCYZRNUJYIX-HXUWFJFHSA-N 2 1 341.499 2.351 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)CC#Cc1ccccc1 ZINC001753082054 1406672063 /nfs/dbraw/zinc/67/20/63/1406672063.db2.gz AAUHCYZRNUJYIX-HXUWFJFHSA-N 2 1 341.499 2.351 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001401113090 1396947688 /nfs/dbraw/zinc/94/76/88/1396947688.db2.gz CQNMRFKEBUBWDD-BBRMVZONSA-N 2 1 327.900 2.488 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC001754312046 1406888199 /nfs/dbraw/zinc/88/81/99/1406888199.db2.gz VWMWSQTWIKIKIY-QUCCMNQESA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001754312046 1406888205 /nfs/dbraw/zinc/88/82/05/1406888205.db2.gz VWMWSQTWIKIKIY-QUCCMNQESA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001754312046 1406888212 /nfs/dbraw/zinc/88/82/12/1406888212.db2.gz VWMWSQTWIKIKIY-QUCCMNQESA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001754312046 1406888216 /nfs/dbraw/zinc/88/82/16/1406888216.db2.gz VWMWSQTWIKIKIY-QUCCMNQESA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001401785358 1397570018 /nfs/dbraw/zinc/57/00/18/1397570018.db2.gz SCPPQTHFFSCXPU-KBXCAEBGSA-N 2 1 348.466 2.220 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001401785358 1397570015 /nfs/dbraw/zinc/57/00/15/1397570015.db2.gz SCPPQTHFFSCXPU-KBXCAEBGSA-N 2 1 348.466 2.220 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001402152287 1397799093 /nfs/dbraw/zinc/79/90/93/1397799093.db2.gz DXGBOBACVVFDHM-AEFFLSMTSA-N 2 1 346.500 2.042 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001754469804 1406914446 /nfs/dbraw/zinc/91/44/46/1406914446.db2.gz YDDZMGOMPRRZRY-WOJBJXKFSA-N 2 1 341.499 2.358 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001754469804 1406914449 /nfs/dbraw/zinc/91/44/49/1406914449.db2.gz YDDZMGOMPRRZRY-WOJBJXKFSA-N 2 1 341.499 2.358 20 30 EEEDMP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1F)NC(=O)C[NH+](C)C1CCC1 ZINC001422835735 1400219358 /nfs/dbraw/zinc/21/93/58/1400219358.db2.gz PEMUREVQTLMUFQ-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1F)NC(=O)C[NH+](C)C1CCC1 ZINC001422835735 1400219360 /nfs/dbraw/zinc/21/93/60/1400219360.db2.gz PEMUREVQTLMUFQ-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](C[NH+](C)Cc1ccc(C#N)cc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001422835735 1400219363 /nfs/dbraw/zinc/21/93/63/1400219363.db2.gz PEMUREVQTLMUFQ-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](C[NH+](C)Cc1ccc(C#N)cc1F)NC(=O)C[N@@H+](C)C1CCC1 ZINC001422835735 1400219365 /nfs/dbraw/zinc/21/93/65/1400219365.db2.gz PEMUREVQTLMUFQ-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@H]1C ZINC001425885064 1401789699 /nfs/dbraw/zinc/78/96/99/1401789699.db2.gz HNBUDAVWBDMUBU-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP Cc1ccccc1NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000180454364 1405820342 /nfs/dbraw/zinc/82/03/42/1405820342.db2.gz DKRWPVKCTYLTIU-GOSISDBHSA-N 2 1 338.455 2.488 20 30 EEEDMP C=CC[N@@H+](C)CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001755814929 1407867182 /nfs/dbraw/zinc/86/71/82/1407867182.db2.gz UODNFBQPSPZSLU-UHFFFAOYSA-N 2 1 327.432 2.236 20 30 EEEDMP C=CC[N@H+](C)CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001755814929 1407867186 /nfs/dbraw/zinc/86/71/86/1407867186.db2.gz UODNFBQPSPZSLU-UHFFFAOYSA-N 2 1 327.432 2.236 20 30 EEEDMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000303872607 1409792038 /nfs/dbraw/zinc/79/20/38/1409792038.db2.gz GMAXKSPUBDFMFM-CQSZACIVSA-N 2 1 332.448 2.306 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121325801 1410221314 /nfs/dbraw/zinc/22/13/14/1410221314.db2.gz OESQDUYFBOZRRT-UHFFFAOYSA-N 2 1 327.900 2.486 20 30 EEEDMP C=CCCC[NH2+]C1CC(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001100513880 1410661507 /nfs/dbraw/zinc/66/15/07/1410661507.db2.gz RWKJNINJRZKUEN-UHFFFAOYSA-N 2 1 330.476 2.213 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@@H]2CC)CC1 ZINC001087839014 782343917 /nfs/dbraw/zinc/34/39/17/782343917.db2.gz HXXRDTTUXSNGIN-RBUKOAKNSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075449445 760423771 /nfs/dbraw/zinc/42/37/71/760423771.db2.gz JDXUUYGPSHRAIF-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449445 760423774 /nfs/dbraw/zinc/42/37/74/760423774.db2.gz JDXUUYGPSHRAIF-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449445 760423778 /nfs/dbraw/zinc/42/37/78/760423778.db2.gz JDXUUYGPSHRAIF-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C ZINC001087317602 761614423 /nfs/dbraw/zinc/61/44/23/761614423.db2.gz KMMUSXIJTYXPSZ-BPQIPLTHSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C ZINC001087317602 761614427 /nfs/dbraw/zinc/61/44/27/761614427.db2.gz KMMUSXIJTYXPSZ-BPQIPLTHSA-N 2 1 330.476 2.373 20 30 EEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427902 769072125 /nfs/dbraw/zinc/07/21/25/769072125.db2.gz SVROLUKIOANZNO-QZTJIDSGSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427902 769072135 /nfs/dbraw/zinc/07/21/35/769072135.db2.gz SVROLUKIOANZNO-QZTJIDSGSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427902 769072141 /nfs/dbraw/zinc/07/21/41/769072141.db2.gz SVROLUKIOANZNO-QZTJIDSGSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446348 769308656 /nfs/dbraw/zinc/30/86/56/769308656.db2.gz WGASMCDQYIKLBG-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088082113 782879063 /nfs/dbraw/zinc/87/90/63/782879063.db2.gz WTAAYFFTOLEDIM-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088082113 782879070 /nfs/dbraw/zinc/87/90/70/782879070.db2.gz WTAAYFFTOLEDIM-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088082113 782879077 /nfs/dbraw/zinc/87/90/77/782879077.db2.gz WTAAYFFTOLEDIM-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211667 783062418 /nfs/dbraw/zinc/06/24/18/783062418.db2.gz UOBSBIQDCKLKRC-SJORKVTESA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211667 783062422 /nfs/dbraw/zinc/06/24/22/783062422.db2.gz UOBSBIQDCKLKRC-SJORKVTESA-N 2 1 339.911 2.395 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980165979 773991406 /nfs/dbraw/zinc/99/14/06/773991406.db2.gz VTDJZLQNZQIPSA-BHYGNILZSA-N 2 1 331.460 2.358 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980167622 773993797 /nfs/dbraw/zinc/99/37/97/773993797.db2.gz FLKHOGPBVKXJDG-BZSNNMDCSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089662657 774066658 /nfs/dbraw/zinc/06/66/58/774066658.db2.gz FTUKOEXKOOBJEC-ROUUACIJSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001089662657 774066664 /nfs/dbraw/zinc/06/66/64/774066664.db2.gz FTUKOEXKOOBJEC-ROUUACIJSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089662657 774066674 /nfs/dbraw/zinc/06/66/74/774066674.db2.gz FTUKOEXKOOBJEC-ROUUACIJSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089662657 774066681 /nfs/dbraw/zinc/06/66/81/774066681.db2.gz FTUKOEXKOOBJEC-ROUUACIJSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089662657 774066688 /nfs/dbraw/zinc/06/66/88/774066688.db2.gz FTUKOEXKOOBJEC-ROUUACIJSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(=C)C)C[C@H]3C2)CC1 ZINC000980255832 774198717 /nfs/dbraw/zinc/19/87/17/774198717.db2.gz PNYWIDFGYAZWGA-VAMGGRTRSA-N 2 1 343.515 2.124 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001027930053 774553920 /nfs/dbraw/zinc/55/39/20/774553920.db2.gz MAEDYMQAZBANPM-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027930053 774553922 /nfs/dbraw/zinc/55/39/22/774553922.db2.gz MAEDYMQAZBANPM-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001027930053 774553926 /nfs/dbraw/zinc/55/39/26/774553926.db2.gz MAEDYMQAZBANPM-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089831723 777326213 /nfs/dbraw/zinc/32/62/13/777326213.db2.gz OIXCRWZIBAWZHW-OKYOBFRVSA-N 2 1 343.515 2.360 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089847716 777906246 /nfs/dbraw/zinc/90/62/46/777906246.db2.gz WVFQVDGZPKMTEO-MLHJIOFPSA-N 2 1 331.504 2.216 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982400745 780012645 /nfs/dbraw/zinc/01/26/45/780012645.db2.gz IQZNZSRWZRXOAX-SESVDKBCSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001105394437 781791087 /nfs/dbraw/zinc/79/10/87/781791087.db2.gz XANAEXXFYKMNOW-GOSISDBHSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001105394437 781791092 /nfs/dbraw/zinc/79/10/92/781791092.db2.gz XANAEXXFYKMNOW-GOSISDBHSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001105394437 781791102 /nfs/dbraw/zinc/79/11/02/781791102.db2.gz XANAEXXFYKMNOW-GOSISDBHSA-N 2 1 345.531 2.443 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001035051863 783658066 /nfs/dbraw/zinc/65/80/66/783658066.db2.gz SIXJWDDMONFSOB-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035260168 784215074 /nfs/dbraw/zinc/21/50/74/784215074.db2.gz QTZHTOVLCGLELG-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035260168 784215077 /nfs/dbraw/zinc/21/50/77/784215077.db2.gz QTZHTOVLCGLELG-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001105698214 785144139 /nfs/dbraw/zinc/14/41/39/785144139.db2.gz GPSJORWDTXJIRS-VQIMIIECSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CC2 ZINC001035778220 785163651 /nfs/dbraw/zinc/16/36/51/785163651.db2.gz DQGIUJAYEWYWHW-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC000995823993 785724660 /nfs/dbraw/zinc/72/46/60/785724660.db2.gz PJKFKMSUDURCHO-AEFFLSMTSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C(C)(C)C1 ZINC000995923240 785823779 /nfs/dbraw/zinc/82/37/79/785823779.db2.gz MESOCMMVQQFRIQ-RBUKOAKNSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C(C)(C)C1 ZINC000995923240 785823788 /nfs/dbraw/zinc/82/37/88/785823788.db2.gz MESOCMMVQQFRIQ-RBUKOAKNSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413700 787192138 /nfs/dbraw/zinc/19/21/38/787192138.db2.gz MMIINOPRMZFRBG-MBOZVWFJSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413700 787192142 /nfs/dbraw/zinc/19/21/42/787192142.db2.gz MMIINOPRMZFRBG-MBOZVWFJSA-N 2 1 342.487 2.391 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608392 787893028 /nfs/dbraw/zinc/89/30/28/787893028.db2.gz PEEXYAWBVFRQDV-IEBWSBKVSA-N 2 1 331.504 2.409 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCC([NH3+])CC2)c(OC)c1 ZINC000923294609 789325912 /nfs/dbraw/zinc/32/59/12/789325912.db2.gz NRZGCXIEAAHJQZ-ABHNRTSZSA-N 2 1 348.487 2.365 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2CC[NH3+])c(OC)c1 ZINC000923354053 789433010 /nfs/dbraw/zinc/43/30/10/789433010.db2.gz PWFWRAJQLQIKTO-MSOLQXFVSA-N 2 1 348.487 2.367 20 30 EEEDMP C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1CCC[NH3+] ZINC000923389289 789485457 /nfs/dbraw/zinc/48/54/57/789485457.db2.gz NVYPZUAEZWHNLB-HHXXYDBFSA-N 2 1 331.460 2.137 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000923559898 789770198 /nfs/dbraw/zinc/77/01/98/789770198.db2.gz LSRXJQRJPBCMAZ-PMACEKPBSA-N 2 1 339.483 2.080 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000923559898 789770203 /nfs/dbraw/zinc/77/02/03/789770203.db2.gz LSRXJQRJPBCMAZ-PMACEKPBSA-N 2 1 339.483 2.080 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)[C@@H]2C)CC1 ZINC001089059874 792024545 /nfs/dbraw/zinc/02/45/45/792024545.db2.gz GJRTVECYBPBDPU-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C(F)(F)F ZINC000998298823 792504175 /nfs/dbraw/zinc/50/41/75/792504175.db2.gz YYRZJNUIUYBEMZ-UONOGXRCSA-N 2 1 347.425 2.273 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001040488223 793170096 /nfs/dbraw/zinc/17/00/96/793170096.db2.gz IZOMNPPXOJDKTD-OAQYLSRUSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947724 793452129 /nfs/dbraw/zinc/45/21/29/793452129.db2.gz MHILQRMLPLDQRK-QFUCXCTJSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947724 793452134 /nfs/dbraw/zinc/45/21/34/793452134.db2.gz MHILQRMLPLDQRK-QFUCXCTJSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947724 793452140 /nfs/dbraw/zinc/45/21/40/793452140.db2.gz MHILQRMLPLDQRK-QFUCXCTJSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013353 793505734 /nfs/dbraw/zinc/50/57/34/793505734.db2.gz ODVDYXYPDSMXPY-UXPWSPDFSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013353 793505738 /nfs/dbraw/zinc/50/57/38/793505738.db2.gz ODVDYXYPDSMXPY-UXPWSPDFSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013353 793505744 /nfs/dbraw/zinc/50/57/44/793505744.db2.gz ODVDYXYPDSMXPY-UXPWSPDFSA-N 2 1 349.494 2.003 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092190909 793653515 /nfs/dbraw/zinc/65/35/15/793653515.db2.gz ZRCFNJVIJNYPKX-GIVPXCGWSA-N 2 1 341.499 2.430 20 30 EEEDMP CC#CCN1CC[C@]2(NC(=O)c3cc(-n4ccnc4)ccn3)CCC[C@H]12 ZINC000992395126 793941284 /nfs/dbraw/zinc/94/12/84/793941284.db2.gz RUTBHYRYIYMNNF-AZUAARDMSA-N 2 1 349.438 2.017 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCC(C)C)CC3)CC1 ZINC000992502230 794436409 /nfs/dbraw/zinc/43/64/09/794436409.db2.gz BBEULVHARCPPND-FPOVZHCZSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999573756 794672089 /nfs/dbraw/zinc/67/20/89/794672089.db2.gz JTYARYXRJVOSOJ-CVEARBPZSA-N 2 1 327.900 2.440 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093373926 795107007 /nfs/dbraw/zinc/10/70/07/795107007.db2.gz VBYNPAFZIWTBHX-RTBURBONSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001093399873 795177969 /nfs/dbraw/zinc/17/79/69/795177969.db2.gz UBVRCJSGMSIYJS-FDYSRKEFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271453 795318938 /nfs/dbraw/zinc/31/89/38/795318938.db2.gz GASKCMARBJKNCV-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnccc3N(C)C)CC[C@@H]21 ZINC001036871654 795597045 /nfs/dbraw/zinc/59/70/45/795597045.db2.gz OGWUPXMVTOPSQS-ZBFHGGJFSA-N 2 1 348.878 2.437 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871654 795597051 /nfs/dbraw/zinc/59/70/51/795597051.db2.gz OGWUPXMVTOPSQS-ZBFHGGJFSA-N 2 1 348.878 2.437 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001108022061 795618129 /nfs/dbraw/zinc/61/81/29/795618129.db2.gz CKVXBQACTOSONI-IBGZPJMESA-N 2 1 349.519 2.036 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001106667900 796079629 /nfs/dbraw/zinc/07/96/29/796079629.db2.gz BIUCZHJKMJXDAZ-HZPDHXFCSA-N 2 1 346.475 2.144 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001001492709 796925524 /nfs/dbraw/zinc/92/55/24/796925524.db2.gz URVWBOVIBHCUGT-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001001492709 796925528 /nfs/dbraw/zinc/92/55/28/796925528.db2.gz URVWBOVIBHCUGT-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557492 806546165 /nfs/dbraw/zinc/54/61/65/806546165.db2.gz JCYFMIYJYONRGF-RDJZCZTQSA-N 2 1 327.900 2.299 20 30 EEEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172969456 797175326 /nfs/dbraw/zinc/17/53/26/797175326.db2.gz WAZQFVXNRAZJAS-OAGGEKHMSA-N 2 1 336.480 2.209 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994119532 797301636 /nfs/dbraw/zinc/30/16/36/797301636.db2.gz XCCCNULHKQELGW-YJBOKZPZSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994119532 797301647 /nfs/dbraw/zinc/30/16/47/797301647.db2.gz XCCCNULHKQELGW-YJBOKZPZSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[NH+]1CCC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001978203 797416348 /nfs/dbraw/zinc/41/63/48/797416348.db2.gz GVZWXHJFWSZLPR-UHFFFAOYSA-N 2 1 339.443 2.285 20 30 EEEDMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173423320 797442973 /nfs/dbraw/zinc/44/29/73/797442973.db2.gz JDZOAVNMOIQNBQ-GOSISDBHSA-N 2 1 340.471 2.237 20 30 EEEDMP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)Cc1cnc[nH]1 ZINC001175477015 798117878 /nfs/dbraw/zinc/11/78/78/798117878.db2.gz CZMWCHBZFDIVBA-KRWDZBQOSA-N 2 1 338.455 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC3CCCC3)C[C@H]21 ZINC001084418118 798185017 /nfs/dbraw/zinc/18/50/17/798185017.db2.gz WDVWSPYQOPQQLD-HSALFYBXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC3CCCC3)C[C@H]21 ZINC001084418118 798185020 /nfs/dbraw/zinc/18/50/20/798185020.db2.gz WDVWSPYQOPQQLD-HSALFYBXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CCCC3)C[C@H]21 ZINC001084418118 798185022 /nfs/dbraw/zinc/18/50/22/798185022.db2.gz WDVWSPYQOPQQLD-HSALFYBXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001084418118 798185025 /nfs/dbraw/zinc/18/50/25/798185025.db2.gz WDVWSPYQOPQQLD-HSALFYBXSA-N 2 1 343.515 2.197 20 30 EEEDMP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565131 798498975 /nfs/dbraw/zinc/49/89/75/798498975.db2.gz STYRXORLDNLFDS-AZUAARDMSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001177323949 798861587 /nfs/dbraw/zinc/86/15/87/798861587.db2.gz KTDPRGUFRBXSNI-RBUKOAKNSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178890996 799676747 /nfs/dbraw/zinc/67/67/47/799676747.db2.gz LKEQRGXGVNQBIK-KSZLIROESA-N 2 1 337.508 2.031 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001179857100 800134869 /nfs/dbraw/zinc/13/48/69/800134869.db2.gz RSULWASLBBCYKZ-KSSFIOAISA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCC[NH2+]CCCCCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001179824221 800136736 /nfs/dbraw/zinc/13/67/36/800136736.db2.gz XCDXZRLBVRHAQP-UHFFFAOYSA-N 2 1 339.524 2.331 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001179976518 800194161 /nfs/dbraw/zinc/19/41/61/800194161.db2.gz RTABMCGZUMOGDA-YOEHRIQHSA-N 2 1 348.516 2.431 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720701 800879611 /nfs/dbraw/zinc/87/96/11/800879611.db2.gz NBGMLHRDXVHYDU-WSTZPKSXSA-N 2 1 333.520 2.062 20 30 EEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001182401040 801152248 /nfs/dbraw/zinc/15/22/48/801152248.db2.gz CVUKTYVNUBDNJV-WRWLIDTKSA-N 2 1 344.503 2.404 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182774984 801346425 /nfs/dbraw/zinc/34/64/25/801346425.db2.gz DJWWLZKLBQNMKV-VQIMIIECSA-N 2 1 330.476 2.104 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946590389 801606164 /nfs/dbraw/zinc/60/61/64/801606164.db2.gz AQLKJSKNCVVDCR-OTWHNJEPSA-N 2 1 331.504 2.075 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(CC)CC)CC1 ZINC001085986841 801840176 /nfs/dbraw/zinc/84/01/76/801840176.db2.gz OCGGPFJFABZEIB-IBGZPJMESA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001004479474 802183399 /nfs/dbraw/zinc/18/33/99/802183399.db2.gz FXKPHKVGEKUAPD-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004479474 802183401 /nfs/dbraw/zinc/18/34/01/802183401.db2.gz FXKPHKVGEKUAPD-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004479474 802183403 /nfs/dbraw/zinc/18/34/03/802183403.db2.gz FXKPHKVGEKUAPD-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004508948 802247195 /nfs/dbraw/zinc/24/71/95/802247195.db2.gz VVPRYEIPHXNXTC-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004538187 802321275 /nfs/dbraw/zinc/32/12/75/802321275.db2.gz ARTVAQJDMKLBCT-RBUKOAKNSA-N 2 1 333.520 2.299 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185137515 802344265 /nfs/dbraw/zinc/34/42/65/802344265.db2.gz ZBZHLFWCUZLPLM-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185137515 802344275 /nfs/dbraw/zinc/34/42/75/802344275.db2.gz ZBZHLFWCUZLPLM-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001185169446 802373208 /nfs/dbraw/zinc/37/32/08/802373208.db2.gz LQQLVFPDIDLHFU-CVEARBPZSA-N 2 1 346.475 2.144 20 30 EEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001185169455 802373716 /nfs/dbraw/zinc/37/37/16/802373716.db2.gz LRIAHIGGYZWGQY-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001108283541 803158079 /nfs/dbraw/zinc/15/80/79/803158079.db2.gz GCSOEWSFXWPHSD-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001108283541 803158085 /nfs/dbraw/zinc/15/80/85/803158085.db2.gz GCSOEWSFXWPHSD-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001108283541 803158090 /nfs/dbraw/zinc/15/80/90/803158090.db2.gz GCSOEWSFXWPHSD-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001108283541 803158099 /nfs/dbraw/zinc/15/80/99/803158099.db2.gz GCSOEWSFXWPHSD-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001108418511 803506863 /nfs/dbraw/zinc/50/68/63/803506863.db2.gz YOIIHWMFCFMZFE-HXUWFJFHSA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001108418511 803506865 /nfs/dbraw/zinc/50/68/65/803506865.db2.gz YOIIHWMFCFMZFE-HXUWFJFHSA-N 2 1 345.487 2.145 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001108836159 804579666 /nfs/dbraw/zinc/57/96/66/804579666.db2.gz OQFFAVYVMUXOIX-FHWLQOOXSA-N 2 1 327.472 2.274 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001108836159 804579671 /nfs/dbraw/zinc/57/96/71/804579671.db2.gz OQFFAVYVMUXOIX-FHWLQOOXSA-N 2 1 327.472 2.274 20 30 EEEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430708 810849604 /nfs/dbraw/zinc/84/96/04/810849604.db2.gz WFUZQMLMDGFDCB-CQSZACIVSA-N 2 1 344.297 2.008 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001437309201 1089466767 /nfs/dbraw/zinc/46/67/67/1089466767.db2.gz AGUZVQOQKSQFIU-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP C[N@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001443768383 1098261474 /nfs/dbraw/zinc/26/14/74/1098261474.db2.gz OHGQIFLQQQEGDE-CQSZACIVSA-N 2 1 348.516 2.288 20 30 EEEDMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001443768383 1098261481 /nfs/dbraw/zinc/26/14/81/1098261481.db2.gz OHGQIFLQQQEGDE-CQSZACIVSA-N 2 1 348.516 2.288 20 30 EEEDMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001443768383 1098261486 /nfs/dbraw/zinc/26/14/86/1098261486.db2.gz OHGQIFLQQQEGDE-CQSZACIVSA-N 2 1 348.516 2.288 20 30 EEEDMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001443768383 1098261494 /nfs/dbraw/zinc/26/14/94/1098261494.db2.gz OHGQIFLQQQEGDE-CQSZACIVSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccccc1C#N ZINC001447776510 1103302766 /nfs/dbraw/zinc/30/27/66/1103302766.db2.gz GPOMENDZAOENRR-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccccc1C#N ZINC001447776510 1103302779 /nfs/dbraw/zinc/30/27/79/1103302779.db2.gz GPOMENDZAOENRR-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1C#N ZINC001447776510 1103302790 /nfs/dbraw/zinc/30/27/90/1103302790.db2.gz GPOMENDZAOENRR-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1C#N ZINC001447776510 1103302801 /nfs/dbraw/zinc/30/28/01/1103302801.db2.gz GPOMENDZAOENRR-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001499127886 1112138489 /nfs/dbraw/zinc/13/84/89/1112138489.db2.gz RJCGPLURGVBQDK-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001499127886 1112138492 /nfs/dbraw/zinc/13/84/92/1112138492.db2.gz RJCGPLURGVBQDK-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602564 781921380 /nfs/dbraw/zinc/92/13/80/781921380.db2.gz URKBBXBOMNIMQG-OTWHNJEPSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602564 781921389 /nfs/dbraw/zinc/92/13/89/781921389.db2.gz URKBBXBOMNIMQG-OTWHNJEPSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087602564 781921395 /nfs/dbraw/zinc/92/13/95/781921395.db2.gz URKBBXBOMNIMQG-OTWHNJEPSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105396750 781942241 /nfs/dbraw/zinc/94/22/41/781942241.db2.gz UWTVTDHJJWFIAO-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396750 781942250 /nfs/dbraw/zinc/94/22/50/781942250.db2.gz UWTVTDHJJWFIAO-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396750 781942261 /nfs/dbraw/zinc/94/22/61/781942261.db2.gz UWTVTDHJJWFIAO-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1cccc(C#N)c1 ZINC000374419979 167038587 /nfs/dbraw/zinc/03/85/87/167038587.db2.gz JULMSAHLAZLUPY-BHIYHBOVSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOc1cccc(C#N)c1 ZINC000374419979 167038590 /nfs/dbraw/zinc/03/85/90/167038590.db2.gz JULMSAHLAZLUPY-BHIYHBOVSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccc(C#N)cc1 ZINC000374426633 167041230 /nfs/dbraw/zinc/04/12/30/167041230.db2.gz FMWNGAVGEVRYEV-BHIYHBOVSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccc(C#N)cc1 ZINC000374426633 167041232 /nfs/dbraw/zinc/04/12/32/167041232.db2.gz FMWNGAVGEVRYEV-BHIYHBOVSA-N 2 1 329.444 2.121 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1CC ZINC001087653485 782021615 /nfs/dbraw/zinc/02/16/15/782021615.db2.gz ZYKSULFADHSKKR-FUHWJXTLSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC(=O)OC)cc2)CC1 ZINC000341516848 465210444 /nfs/dbraw/zinc/21/04/44/465210444.db2.gz WJGPIGSWHLJMNC-UHFFFAOYSA-N 2 1 332.444 2.369 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC#N)C3CCCC3)CC2)CC1 ZINC000568105409 468274116 /nfs/dbraw/zinc/27/41/16/468274116.db2.gz UESXVMICHKVEJR-UHFFFAOYSA-N 2 1 346.519 2.477 20 30 EEEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000076762777 462908461 /nfs/dbraw/zinc/90/84/61/462908461.db2.gz XIYSPHIICMQYJL-KRWDZBQOSA-N 2 1 328.456 2.289 20 30 EEEDMP C=CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000261898240 463892887 /nfs/dbraw/zinc/89/28/87/463892887.db2.gz VKJPAFJKKAMBPT-CRAIPNDOSA-N 2 1 326.448 2.211 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)C(C)C ZINC000291605868 464156442 /nfs/dbraw/zinc/15/64/42/464156442.db2.gz JCCMVKZLIXSBAV-UYAOXDASSA-N 2 1 348.535 2.422 20 30 EEEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000264081545 464281173 /nfs/dbraw/zinc/28/11/73/464281173.db2.gz HOEOXHYDMULSPE-UHFFFAOYSA-N 2 1 331.508 2.448 20 30 EEEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000264119759 464285006 /nfs/dbraw/zinc/28/50/06/464285006.db2.gz UPVZAEBRXFXCTH-OAHLLOKOSA-N 2 1 331.508 2.304 20 30 EEEDMP C=CCN1CC[C@H](N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740022 464677431 /nfs/dbraw/zinc/67/74/31/464677431.db2.gz YCGNTKOGKMBZEX-PZJWPPBQSA-N 2 1 339.483 2.371 20 30 EEEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000266973353 464890917 /nfs/dbraw/zinc/89/09/17/464890917.db2.gz HFLOZLNDHYLYAW-ZDUSSCGKSA-N 2 1 328.382 2.452 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000329875214 465458566 /nfs/dbraw/zinc/45/85/66/465458566.db2.gz GHHDGHIKTKYFDF-IYBDPMFKSA-N 2 1 345.491 2.163 20 30 EEEDMP CC(C)C[N@@H+]1CCC[C@H](C[NH+]=C([O-])NC[C@H]2CCc3nccn3C2)C1 ZINC000329910785 465470606 /nfs/dbraw/zinc/47/06/06/465470606.db2.gz NNAKVKTVEMKRLH-IAGOWNOFSA-N 2 1 347.507 2.317 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H](C[NH+]=C([O-])NC[C@H]2CCc3nccn3C2)C1 ZINC000329910785 465470615 /nfs/dbraw/zinc/47/06/15/465470615.db2.gz NNAKVKTVEMKRLH-IAGOWNOFSA-N 2 1 347.507 2.317 20 30 EEEDMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329910785 465470620 /nfs/dbraw/zinc/47/06/20/465470620.db2.gz NNAKVKTVEMKRLH-IAGOWNOFSA-N 2 1 347.507 2.317 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329910785 465470626 /nfs/dbraw/zinc/47/06/26/465470626.db2.gz NNAKVKTVEMKRLH-IAGOWNOFSA-N 2 1 347.507 2.317 20 30 EEEDMP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330025357 465510110 /nfs/dbraw/zinc/51/01/10/465510110.db2.gz KMBLAQYNAWYDFX-HNNXBMFYSA-N 2 1 344.463 2.402 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330025357 465510117 /nfs/dbraw/zinc/51/01/17/465510117.db2.gz KMBLAQYNAWYDFX-HNNXBMFYSA-N 2 1 344.463 2.402 20 30 EEEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1)CC1CC1 ZINC000347008808 466315167 /nfs/dbraw/zinc/31/51/67/466315167.db2.gz IVNGTVRYZBXBSM-UHFFFAOYSA-N 2 1 346.519 2.383 20 30 EEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000350147718 466404164 /nfs/dbraw/zinc/40/41/64/466404164.db2.gz AUZMSCGKMJSCGM-LJQANCHMSA-N 2 1 331.460 2.370 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)C(C)C ZINC000367888818 466550898 /nfs/dbraw/zinc/55/08/98/466550898.db2.gz YUNNSYBZGYMZMC-OTWHNJEPSA-N 2 1 348.535 2.421 20 30 EEEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000365765400 466932232 /nfs/dbraw/zinc/93/22/32/466932232.db2.gz NKLVAYUMPVGTRO-GOSISDBHSA-N 2 1 336.395 2.435 20 30 EEEDMP C[C@H]1C[C@@]1(C#N)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000560167523 468771218 /nfs/dbraw/zinc/77/12/18/468771218.db2.gz JCICIEGFLQKAOI-JXFKEZNVSA-N 2 1 346.519 2.191 20 30 EEEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845388 469112882 /nfs/dbraw/zinc/11/28/82/469112882.db2.gz JIDAYFHUCXIKGM-LPHOPBHVSA-N 2 1 343.475 2.037 20 30 EEEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845388 469112890 /nfs/dbraw/zinc/11/28/90/469112890.db2.gz JIDAYFHUCXIKGM-LPHOPBHVSA-N 2 1 343.475 2.037 20 30 EEEDMP Cc1cc(N[C@@H](C)CC[NH+](C)C)c(C#N)c(N[C@@H](C)CC[NH+](C)C)[nH+]1 ZINC000596097140 469153652 /nfs/dbraw/zinc/15/36/52/469153652.db2.gz FEIRXGMTISPAHP-GJZGRUSLSA-N 3 1 346.523 2.766 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000609133485 469894409 /nfs/dbraw/zinc/89/44/09/469894409.db2.gz MYEQHIZXLORUEI-QFBILLFUSA-N 2 1 336.524 2.482 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000106331565 526589730 /nfs/dbraw/zinc/58/97/30/526589730.db2.gz UCCBBKOWPGGVKE-IRXDYDNUSA-N 2 1 336.524 2.447 20 30 EEEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291452214 527016859 /nfs/dbraw/zinc/01/68/59/527016859.db2.gz MDLIEIQINIDUTO-GOSISDBHSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC=C(C)C)CC1 ZINC001021470043 676118075 /nfs/dbraw/zinc/11/80/75/676118075.db2.gz SYGCBLRLMGTLPL-IHWFROFDSA-N 2 1 343.515 2.409 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000970800137 676159955 /nfs/dbraw/zinc/15/99/55/676159955.db2.gz MCABXSXXWYNJTP-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000969866457 675268389 /nfs/dbraw/zinc/26/83/89/675268389.db2.gz WNGCZJOPFDPDHO-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000969866457 675268391 /nfs/dbraw/zinc/26/83/91/675268391.db2.gz WNGCZJOPFDPDHO-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700008 676358888 /nfs/dbraw/zinc/35/88/88/676358888.db2.gz MDIYYOBLIBYRKG-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021716982 676376097 /nfs/dbraw/zinc/37/60/97/676376097.db2.gz NCQMVYPOXNRJQM-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCC)CC[C@H]32)CC1 ZINC001021740224 676399089 /nfs/dbraw/zinc/39/90/89/676399089.db2.gz RSPFTZCZPCSTRP-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000971718045 676757741 /nfs/dbraw/zinc/75/77/41/676757741.db2.gz CJIRUOCUXXSJDP-KZNAEPCWSA-N 2 1 349.438 2.118 20 30 EEEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000971718000 676757758 /nfs/dbraw/zinc/75/77/58/676757758.db2.gz AMESIMWWFWRGGA-RCCFBDPRSA-N 2 1 349.438 2.118 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972407296 678695493 /nfs/dbraw/zinc/69/54/93/678695493.db2.gz DWDZSKFCKHFXEZ-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972407296 678695494 /nfs/dbraw/zinc/69/54/94/678695494.db2.gz DWDZSKFCKHFXEZ-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972407296 678695498 /nfs/dbraw/zinc/69/54/98/678695498.db2.gz DWDZSKFCKHFXEZ-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972407296 678695501 /nfs/dbraw/zinc/69/55/01/678695501.db2.gz DWDZSKFCKHFXEZ-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262274530 679092415 /nfs/dbraw/zinc/09/24/15/679092415.db2.gz UKVLYRYGVFZGFG-GBESFXJTSA-N 2 1 349.567 2.148 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001023421680 679301119 /nfs/dbraw/zinc/30/11/19/679301119.db2.gz GYRCOWTVVZSSLX-OALUTQOASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(CC)CC)C1 ZINC001023421680 679301120 /nfs/dbraw/zinc/30/11/20/679301120.db2.gz GYRCOWTVVZSSLX-OALUTQOASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001023421680 679301121 /nfs/dbraw/zinc/30/11/21/679301121.db2.gz GYRCOWTVVZSSLX-OALUTQOASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(CC)CC)C1 ZINC001023421680 679301122 /nfs/dbraw/zinc/30/11/22/679301122.db2.gz GYRCOWTVVZSSLX-OALUTQOASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(CC)CC)C1 ZINC001023421680 679301123 /nfs/dbraw/zinc/30/11/23/679301123.db2.gz GYRCOWTVVZSSLX-OALUTQOASA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001023588601 679397241 /nfs/dbraw/zinc/39/72/41/679397241.db2.gz FOUZDPHRSLVZFE-MRXNPFEDSA-N 2 1 346.475 2.288 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001023588601 679397244 /nfs/dbraw/zinc/39/72/44/679397244.db2.gz FOUZDPHRSLVZFE-MRXNPFEDSA-N 2 1 346.475 2.288 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001023761854 679566777 /nfs/dbraw/zinc/56/67/77/679566777.db2.gz KQOVNETXWCYURH-SFHVURJKSA-N 2 1 333.520 2.206 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024021271 679764935 /nfs/dbraw/zinc/76/49/35/679764935.db2.gz BOGMBGAPBJCNLE-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024021271 679764936 /nfs/dbraw/zinc/76/49/36/679764936.db2.gz BOGMBGAPBJCNLE-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557176 681645332 /nfs/dbraw/zinc/64/53/32/681645332.db2.gz NFTNZYVPEDBJAA-JCGIZDLHSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557176 681645334 /nfs/dbraw/zinc/64/53/34/681645334.db2.gz NFTNZYVPEDBJAA-JCGIZDLHSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557176 681645336 /nfs/dbraw/zinc/64/53/36/681645336.db2.gz NFTNZYVPEDBJAA-JCGIZDLHSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557176 681645338 /nfs/dbraw/zinc/64/53/38/681645338.db2.gz NFTNZYVPEDBJAA-JCGIZDLHSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800728 682254238 /nfs/dbraw/zinc/25/42/38/682254238.db2.gz YNGBAYRBGIVJCN-IAGOWNOFSA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800728 682254242 /nfs/dbraw/zinc/25/42/42/682254242.db2.gz YNGBAYRBGIVJCN-IAGOWNOFSA-N 2 1 330.476 2.158 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253867 682342100 /nfs/dbraw/zinc/34/21/00/682342100.db2.gz XOZYTARGHUWFAC-ROUUACIJSA-N 2 1 328.460 2.060 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253867 682342103 /nfs/dbraw/zinc/34/21/03/682342103.db2.gz XOZYTARGHUWFAC-ROUUACIJSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281336 682390888 /nfs/dbraw/zinc/39/08/88/682390888.db2.gz TWMBQZAZIREISY-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261978185 682711774 /nfs/dbraw/zinc/71/17/74/682711774.db2.gz OETRLPXDXPTANT-IAQYHMDHSA-N 2 1 335.521 2.298 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514419 682941290 /nfs/dbraw/zinc/94/12/90/682941290.db2.gz BIOSLGMNGTWVKR-CVEARBPZSA-N 2 1 331.460 2.195 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680163 693950523 /nfs/dbraw/zinc/95/05/23/693950523.db2.gz BEBCBQKNOHVUJQ-HNNXBMFYSA-N 2 1 346.500 2.138 20 30 EEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000985445645 686775020 /nfs/dbraw/zinc/77/50/20/686775020.db2.gz MEVNSASHJSYMNA-SFHVURJKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000985445645 686775025 /nfs/dbraw/zinc/77/50/25/686775025.db2.gz MEVNSASHJSYMNA-SFHVURJKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000985445645 686775029 /nfs/dbraw/zinc/77/50/29/686775029.db2.gz MEVNSASHJSYMNA-SFHVURJKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000985445645 686775031 /nfs/dbraw/zinc/77/50/31/686775031.db2.gz MEVNSASHJSYMNA-SFHVURJKSA-N 2 1 345.491 2.289 20 30 EEEDMP C[N@@H+](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C1CCCC1 ZINC000262548471 687100635 /nfs/dbraw/zinc/10/06/35/687100635.db2.gz WRTVTCNHPWUWGF-UHFFFAOYSA-N 2 1 332.448 2.449 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001027441060 688158024 /nfs/dbraw/zinc/15/80/24/688158024.db2.gz RHXGBJCGFWMSSA-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001027441060 688158028 /nfs/dbraw/zinc/15/80/28/688158028.db2.gz RHXGBJCGFWMSSA-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001027441060 688158035 /nfs/dbraw/zinc/15/80/35/688158035.db2.gz RHXGBJCGFWMSSA-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001030019229 691100030 /nfs/dbraw/zinc/10/00/30/691100030.db2.gz YZUKNYRYIJFUOJ-GUMHCPJTSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001030019229 691100031 /nfs/dbraw/zinc/10/00/31/691100031.db2.gz YZUKNYRYIJFUOJ-GUMHCPJTSA-N 2 1 345.531 2.491 20 30 EEEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988964834 691331853 /nfs/dbraw/zinc/33/18/53/691331853.db2.gz FNDBUQQGNAYRON-CRAIPNDOSA-N 2 1 340.471 2.122 20 30 EEEDMP N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272716055 1191976893 /nfs/dbraw/zinc/97/68/93/1191976893.db2.gz CLHACHDGHGMPKL-QZTJIDSGSA-N 2 1 332.492 2.231 20 30 EEEDMP N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272716055 1191976895 /nfs/dbraw/zinc/97/68/95/1191976895.db2.gz CLHACHDGHGMPKL-QZTJIDSGSA-N 2 1 332.492 2.231 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943515445 1192325703 /nfs/dbraw/zinc/32/57/03/1192325703.db2.gz GVQHWPZRWNBLKF-VQIMIIECSA-N 2 1 327.472 2.212 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001089880466 1192643300 /nfs/dbraw/zinc/64/33/00/1192643300.db2.gz MCBDTOIEVIWUEW-MUGJNUQGSA-N 2 1 345.531 2.463 20 30 EEEDMP C[C@H](CC[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268392851 1182455064 /nfs/dbraw/zinc/45/50/64/1182455064.db2.gz SLEBYHZQJMEKBN-CRAIPNDOSA-N 2 1 347.890 2.270 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001088413209 1186826337 /nfs/dbraw/zinc/82/63/37/1186826337.db2.gz ALISMKDOICLPCE-HZPDHXFCSA-N 2 1 327.900 2.442 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576478 1188190536 /nfs/dbraw/zinc/19/05/36/1188190536.db2.gz FHRVPTDMLBKJEK-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001088737125 1188397804 /nfs/dbraw/zinc/39/78/04/1188397804.db2.gz BXSXALGSQISSSH-WBVHZDCISA-N 2 1 339.443 2.426 20 30 EEEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001005180185 1194668531 /nfs/dbraw/zinc/66/85/31/1194668531.db2.gz RAZUNKCOKHJLFF-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033775857 1195258516 /nfs/dbraw/zinc/25/85/16/1195258516.db2.gz OHGXRNQBOKTCAF-YOEHRIQHSA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033775857 1195258518 /nfs/dbraw/zinc/25/85/18/1195258518.db2.gz OHGXRNQBOKTCAF-YOEHRIQHSA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033775857 1195258522 /nfs/dbraw/zinc/25/85/22/1195258522.db2.gz OHGXRNQBOKTCAF-YOEHRIQHSA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033775857 1195258527 /nfs/dbraw/zinc/25/85/27/1195258527.db2.gz OHGXRNQBOKTCAF-YOEHRIQHSA-N 2 1 346.500 2.137 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001033836405 1195354646 /nfs/dbraw/zinc/35/46/46/1195354646.db2.gz AWNXWHNQEQOWLR-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001033836405 1195354650 /nfs/dbraw/zinc/35/46/50/1195354650.db2.gz AWNXWHNQEQOWLR-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033836405 1195354653 /nfs/dbraw/zinc/35/46/53/1195354653.db2.gz AWNXWHNQEQOWLR-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033836405 1195354657 /nfs/dbraw/zinc/35/46/57/1195354657.db2.gz AWNXWHNQEQOWLR-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033836405 1195354660 /nfs/dbraw/zinc/35/46/60/1195354660.db2.gz AWNXWHNQEQOWLR-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033836405 1195354665 /nfs/dbraw/zinc/35/46/65/1195354665.db2.gz AWNXWHNQEQOWLR-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034208224 1195946990 /nfs/dbraw/zinc/94/69/90/1195946990.db2.gz SDVPSGRYQSDTKL-JKSUJKDBSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034208224 1195946993 /nfs/dbraw/zinc/94/69/93/1195946993.db2.gz SDVPSGRYQSDTKL-JKSUJKDBSA-N 2 1 325.884 2.051 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC001410890016 1198541674 /nfs/dbraw/zinc/54/16/74/1198541674.db2.gz SAYLBDYPVZBMKI-YOEHRIQHSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001132270856 1199511381 /nfs/dbraw/zinc/51/13/81/1199511381.db2.gz WIAXFIYUSCWYRV-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)s1 ZINC001132270856 1199511388 /nfs/dbraw/zinc/51/13/88/1199511388.db2.gz WIAXFIYUSCWYRV-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310420 1199559798 /nfs/dbraw/zinc/55/97/98/1199559798.db2.gz KOGABERNRGGLSA-AZUAARDMSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310420 1199559802 /nfs/dbraw/zinc/55/98/02/1199559802.db2.gz KOGABERNRGGLSA-AZUAARDMSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310420 1199559806 /nfs/dbraw/zinc/55/98/06/1199559806.db2.gz KOGABERNRGGLSA-AZUAARDMSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310420 1199559809 /nfs/dbraw/zinc/55/98/09/1199559809.db2.gz KOGABERNRGGLSA-AZUAARDMSA-N 2 1 341.499 2.153 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519203 1199804145 /nfs/dbraw/zinc/80/41/45/1199804145.db2.gz VAXOGHLRVSCLOM-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132933583 1200211098 /nfs/dbraw/zinc/21/10/98/1200211098.db2.gz ROEVLSHHSMHOIF-JKSUJKDBSA-N 2 1 348.491 2.390 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133359199 1200790898 /nfs/dbraw/zinc/79/08/98/1200790898.db2.gz GKZFGMWPAZGJIF-AZUAARDMSA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133359199 1200790902 /nfs/dbraw/zinc/79/09/02/1200790902.db2.gz GKZFGMWPAZGJIF-AZUAARDMSA-N 2 1 341.499 2.216 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2CCCc1cccc(C#N)c1 ZINC001274891057 1205201256 /nfs/dbraw/zinc/20/12/56/1205201256.db2.gz QPLOQJSMIWYZKJ-PMACEKPBSA-N 2 1 326.488 2.201 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001111270149 1208523477 /nfs/dbraw/zinc/52/34/77/1208523477.db2.gz ICPIBDGZZLGGRB-YSTOQKLRSA-N 2 1 339.483 2.424 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001111270149 1208523478 /nfs/dbraw/zinc/52/34/78/1208523478.db2.gz ICPIBDGZZLGGRB-YSTOQKLRSA-N 2 1 339.483 2.424 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270149 1208523481 /nfs/dbraw/zinc/52/34/81/1208523481.db2.gz ICPIBDGZZLGGRB-YSTOQKLRSA-N 2 1 339.483 2.424 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270149 1208523483 /nfs/dbraw/zinc/52/34/83/1208523483.db2.gz ICPIBDGZZLGGRB-YSTOQKLRSA-N 2 1 339.483 2.424 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000947723405 1208687272 /nfs/dbraw/zinc/68/72/72/1208687272.db2.gz VTTQBEAVOMZYQO-JKSUJKDBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000947723405 1208687275 /nfs/dbraw/zinc/68/72/75/1208687275.db2.gz VTTQBEAVOMZYQO-JKSUJKDBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770071 1209363350 /nfs/dbraw/zinc/36/33/50/1209363350.db2.gz FKLGBFPAVQMURM-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770071 1209363353 /nfs/dbraw/zinc/36/33/53/1209363353.db2.gz FKLGBFPAVQMURM-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC(=C)Cl)CC2)CC1 ZINC001006445671 1209779172 /nfs/dbraw/zinc/77/91/72/1209779172.db2.gz MRYXWYDHZBFFEP-UHFFFAOYSA-N 2 1 337.895 2.007 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561224 1215212131 /nfs/dbraw/zinc/21/21/31/1215212131.db2.gz LCCHYYHCNJBQLM-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000960330952 1216498307 /nfs/dbraw/zinc/49/83/07/1216498307.db2.gz XKEGCEYGLGTWEN-USXIJHARSA-N 2 1 333.863 2.062 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000960330952 1216498309 /nfs/dbraw/zinc/49/83/09/1216498309.db2.gz XKEGCEYGLGTWEN-USXIJHARSA-N 2 1 333.863 2.062 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCC2)CC1 ZINC000961027055 1217012924 /nfs/dbraw/zinc/01/29/24/1217012924.db2.gz LKJDVVLFTICPEJ-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961248298 1217108422 /nfs/dbraw/zinc/10/84/22/1217108422.db2.gz DQBDPTWKFWVGEA-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253574 1217111595 /nfs/dbraw/zinc/11/15/95/1217111595.db2.gz QOIZPPZRDPDDFO-PMACEKPBSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000961940535 1217413086 /nfs/dbraw/zinc/41/30/86/1217413086.db2.gz OQWOHPJGPYLENV-VJFUWPCTSA-N 2 1 331.504 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000961940535 1217413090 /nfs/dbraw/zinc/41/30/90/1217413090.db2.gz OQWOHPJGPYLENV-VJFUWPCTSA-N 2 1 331.504 2.005 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+]3CC=C)C2)CC1 ZINC000963429781 1217623486 /nfs/dbraw/zinc/62/34/86/1217623486.db2.gz RKRIKWLYWXNYBX-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000963689658 1217967689 /nfs/dbraw/zinc/96/76/89/1217967689.db2.gz YBOHCPHRSRRXOF-UHFFFAOYSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968476013 1221334927 /nfs/dbraw/zinc/33/49/27/1221334927.db2.gz KUEIRHGDBPYFEE-YJBOKZPZSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968476013 1221334928 /nfs/dbraw/zinc/33/49/28/1221334928.db2.gz KUEIRHGDBPYFEE-YJBOKZPZSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477388 1221336410 /nfs/dbraw/zinc/33/64/10/1221336410.db2.gz SOOQOGRMJKXOMR-MAUKXSAKSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477388 1221336412 /nfs/dbraw/zinc/33/64/12/1221336412.db2.gz SOOQOGRMJKXOMR-MAUKXSAKSA-N 2 1 339.443 2.284 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000968850565 1221621232 /nfs/dbraw/zinc/62/12/32/1221621232.db2.gz DBNGOCYRFNMSSJ-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968990415 1221723478 /nfs/dbraw/zinc/72/34/78/1221723478.db2.gz CVALCFORFWBZHN-RBUKOAKNSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990415 1221723482 /nfs/dbraw/zinc/72/34/82/1221723482.db2.gz CVALCFORFWBZHN-RBUKOAKNSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990415 1221723486 /nfs/dbraw/zinc/72/34/86/1221723486.db2.gz CVALCFORFWBZHN-RBUKOAKNSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C)C2)CC1 ZINC001016336486 1226360419 /nfs/dbraw/zinc/36/04/19/1226360419.db2.gz LZJZKRYWIYHKMW-FQEVSTJZSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016663879 1226748565 /nfs/dbraw/zinc/74/85/65/1226748565.db2.gz VZXFKPXLDGKPOS-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001016820170 1226903245 /nfs/dbraw/zinc/90/32/45/1226903245.db2.gz PDKIZSCMVWYAHK-WMZOPIPTSA-N 2 1 342.487 2.301 20 30 EEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001016820799 1226904467 /nfs/dbraw/zinc/90/44/67/1226904467.db2.gz ULVAOQMLICSFHV-QGZVFWFLSA-N 2 1 344.459 2.041 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001016826304 1226907194 /nfs/dbraw/zinc/90/71/94/1226907194.db2.gz ORXMDRGNPHUOHN-UKRRQHHQSA-N 2 1 325.884 2.051 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001020250827 1229582952 /nfs/dbraw/zinc/58/29/52/1229582952.db2.gz SXBYHNBQVIHCSF-LFGUQSLTSA-N 2 1 337.467 2.008 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001020250827 1229582954 /nfs/dbraw/zinc/58/29/54/1229582954.db2.gz SXBYHNBQVIHCSF-LFGUQSLTSA-N 2 1 337.467 2.008 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2C)CC1 ZINC001039041931 1230258472 /nfs/dbraw/zinc/25/84/72/1230258472.db2.gz JUSZGCDCXSPZLO-FQEVSTJZSA-N 2 1 339.483 2.031 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130131 1230338371 /nfs/dbraw/zinc/33/83/71/1230338371.db2.gz JCEBJRRUYOEDNX-VQTJNVASSA-N 2 1 345.531 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138403 1230352004 /nfs/dbraw/zinc/35/20/04/1230352004.db2.gz QCCFXENOOBFHFN-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039138403 1230352009 /nfs/dbraw/zinc/35/20/09/1230352009.db2.gz QCCFXENOOBFHFN-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039138403 1230352014 /nfs/dbraw/zinc/35/20/14/1230352014.db2.gz QCCFXENOOBFHFN-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC001039169722 1230394236 /nfs/dbraw/zinc/39/42/36/1230394236.db2.gz DLICFBXYXVAECS-SFHVURJKSA-N 2 1 344.503 2.489 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182211 1230409381 /nfs/dbraw/zinc/40/93/81/1230409381.db2.gz LCSHGQDUMBINOU-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182211 1230409382 /nfs/dbraw/zinc/40/93/82/1230409382.db2.gz LCSHGQDUMBINOU-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182211 1230409384 /nfs/dbraw/zinc/40/93/84/1230409384.db2.gz LCSHGQDUMBINOU-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001039387206 1230571949 /nfs/dbraw/zinc/57/19/49/1230571949.db2.gz YBSHZYHBICIOEP-AABGKKOBSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039387206 1230571951 /nfs/dbraw/zinc/57/19/51/1230571951.db2.gz YBSHZYHBICIOEP-AABGKKOBSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039387206 1230571953 /nfs/dbraw/zinc/57/19/53/1230571953.db2.gz YBSHZYHBICIOEP-AABGKKOBSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001039437558 1230609392 /nfs/dbraw/zinc/60/93/92/1230609392.db2.gz OAGFRLQLGMKHBA-UWVAXJGDSA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001039437558 1230609394 /nfs/dbraw/zinc/60/93/94/1230609394.db2.gz OAGFRLQLGMKHBA-UWVAXJGDSA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001039437558 1230609396 /nfs/dbraw/zinc/60/93/96/1230609396.db2.gz OAGFRLQLGMKHBA-UWVAXJGDSA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001039437558 1230609399 /nfs/dbraw/zinc/60/93/99/1230609399.db2.gz OAGFRLQLGMKHBA-UWVAXJGDSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001039458446 1230625081 /nfs/dbraw/zinc/62/50/81/1230625081.db2.gz WFBALUVRORZFIC-QYZOEREBSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001039458446 1230625083 /nfs/dbraw/zinc/62/50/83/1230625083.db2.gz WFBALUVRORZFIC-QYZOEREBSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001039458446 1230625085 /nfs/dbraw/zinc/62/50/85/1230625085.db2.gz WFBALUVRORZFIC-QYZOEREBSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001039458446 1230625087 /nfs/dbraw/zinc/62/50/87/1230625087.db2.gz WFBALUVRORZFIC-QYZOEREBSA-N 2 1 331.504 2.340 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314018 1231164971 /nfs/dbraw/zinc/16/49/71/1231164971.db2.gz QNDSJTWZZPMHFI-QUCCMNQESA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040490843 1231259403 /nfs/dbraw/zinc/25/94/03/1231259403.db2.gz CTLRUUXKJFUOHY-FUHWJXTLSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040490843 1231259406 /nfs/dbraw/zinc/25/94/06/1231259406.db2.gz CTLRUUXKJFUOHY-FUHWJXTLSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040490843 1231259408 /nfs/dbraw/zinc/25/94/08/1231259408.db2.gz CTLRUUXKJFUOHY-FUHWJXTLSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040490843 1231259411 /nfs/dbraw/zinc/25/94/11/1231259411.db2.gz CTLRUUXKJFUOHY-FUHWJXTLSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040492408 1231260758 /nfs/dbraw/zinc/26/07/58/1231260758.db2.gz AMQCAKUOHDUXBH-QGZVFWFLSA-N 2 1 337.895 2.149 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040492408 1231260762 /nfs/dbraw/zinc/26/07/62/1231260762.db2.gz AMQCAKUOHDUXBH-QGZVFWFLSA-N 2 1 337.895 2.149 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300266 1231498698 /nfs/dbraw/zinc/49/86/98/1231498698.db2.gz GQMWSZFCSRLQPL-PXNSSMCTSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300266 1231498700 /nfs/dbraw/zinc/49/87/00/1231498700.db2.gz GQMWSZFCSRLQPL-PXNSSMCTSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CC=C(C)C)C3)C2)CC1 ZINC001041845086 1231728437 /nfs/dbraw/zinc/72/84/37/1231728437.db2.gz SIFWWMHYEHPPDB-OAQYLSRUSA-N 2 1 343.515 2.222 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CC(=C)Cl)C3)C2)CC1 ZINC001041845401 1231728917 /nfs/dbraw/zinc/72/89/17/1231728917.db2.gz YBNGTXJYHAWFMX-LJQANCHMSA-N 2 1 349.906 2.009 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CC(=C)Cl)C3)C2)CC1 ZINC001041845401 1231728919 /nfs/dbraw/zinc/72/89/19/1231728919.db2.gz YBNGTXJYHAWFMX-LJQANCHMSA-N 2 1 349.906 2.009 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC001042157582 1231925457 /nfs/dbraw/zinc/92/54/57/1231925457.db2.gz SERSPXWDXCMTSG-QFBILLFUSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC001042157582 1231925459 /nfs/dbraw/zinc/92/54/59/1231925459.db2.gz SERSPXWDXCMTSG-QFBILLFUSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001045671192 1233898374 /nfs/dbraw/zinc/89/83/74/1233898374.db2.gz FPNIVDFORGZFLK-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001046950801 1235346578 /nfs/dbraw/zinc/34/65/78/1235346578.db2.gz LMCFAWYRZCLUJE-HZPDHXFCSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001046950801 1235346580 /nfs/dbraw/zinc/34/65/80/1235346580.db2.gz LMCFAWYRZCLUJE-HZPDHXFCSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001046950801 1235346584 /nfs/dbraw/zinc/34/65/84/1235346584.db2.gz LMCFAWYRZCLUJE-HZPDHXFCSA-N 2 1 343.462 2.366 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](C/C=C/Cl)C3)CC1 ZINC001047209718 1235674054 /nfs/dbraw/zinc/67/40/54/1235674054.db2.gz WOAVDUZUIOLHSI-CTEHYQNGSA-N 2 1 349.906 2.053 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574233 1237998496 /nfs/dbraw/zinc/99/84/96/1237998496.db2.gz STMPAQSDNFGQRX-OBKDMQGPSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048574233 1237998500 /nfs/dbraw/zinc/99/85/00/1237998500.db2.gz STMPAQSDNFGQRX-OBKDMQGPSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048574233 1237998503 /nfs/dbraw/zinc/99/85/03/1237998503.db2.gz STMPAQSDNFGQRX-OBKDMQGPSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003356 1239717373 /nfs/dbraw/zinc/71/73/73/1239717373.db2.gz JOOUKJQDZITIQO-NSHGMRRFSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003356 1239717382 /nfs/dbraw/zinc/71/73/82/1239717382.db2.gz JOOUKJQDZITIQO-NSHGMRRFSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003356 1239717388 /nfs/dbraw/zinc/71/73/88/1239717388.db2.gz JOOUKJQDZITIQO-NSHGMRRFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)C ZINC001049530003 1241264620 /nfs/dbraw/zinc/26/46/20/1241264620.db2.gz UZHMSZKEVLBUIF-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)C ZINC001049530003 1241264625 /nfs/dbraw/zinc/26/46/25/1241264625.db2.gz UZHMSZKEVLBUIF-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)C ZINC001049530003 1241264636 /nfs/dbraw/zinc/26/46/36/1241264636.db2.gz UZHMSZKEVLBUIF-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)C ZINC001049530003 1241264643 /nfs/dbraw/zinc/26/46/43/1241264643.db2.gz UZHMSZKEVLBUIF-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001050630436 1243991732 /nfs/dbraw/zinc/99/17/32/1243991732.db2.gz PODBWCORCWLNKR-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C2)CC1 ZINC001050694406 1244142905 /nfs/dbraw/zinc/14/29/05/1244142905.db2.gz YGIUYAULHSMNDK-INIZCTEOSA-N 2 1 330.476 2.479 20 30 EEEDMP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@@H+]3C)cccc2C1 ZINC001051283066 1245475288 /nfs/dbraw/zinc/47/52/88/1245475288.db2.gz CVRRRVIBVGEBEN-LJQANCHMSA-N 2 1 327.472 2.331 20 30 EEEDMP C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C)cccc2C1 ZINC001051283066 1245475292 /nfs/dbraw/zinc/47/52/92/1245475292.db2.gz CVRRRVIBVGEBEN-LJQANCHMSA-N 2 1 327.472 2.331 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C)cccc2C1 ZINC001051283066 1245475297 /nfs/dbraw/zinc/47/52/97/1245475297.db2.gz CVRRRVIBVGEBEN-LJQANCHMSA-N 2 1 327.472 2.331 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300314 1245630041 /nfs/dbraw/zinc/63/00/41/1245630041.db2.gz SCGIPNCFDCNUCK-SUMDDJOVSA-N 2 1 330.476 2.327 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300314 1245630046 /nfs/dbraw/zinc/63/00/46/1245630046.db2.gz SCGIPNCFDCNUCK-SUMDDJOVSA-N 2 1 330.476 2.327 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365944 1245721197 /nfs/dbraw/zinc/72/11/97/1245721197.db2.gz RTZOMARHOCUGEZ-XLIONFOSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365944 1245721200 /nfs/dbraw/zinc/72/12/00/1245721200.db2.gz RTZOMARHOCUGEZ-XLIONFOSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365944 1245721203 /nfs/dbraw/zinc/72/12/03/1245721203.db2.gz RTZOMARHOCUGEZ-XLIONFOSSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095760 1245892711 /nfs/dbraw/zinc/89/27/11/1245892711.db2.gz KXQBFMHFSDOGLQ-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC001053106959 1245923968 /nfs/dbraw/zinc/92/39/68/1245923968.db2.gz XYPJDRDVOPMNOD-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438855 1247286890 /nfs/dbraw/zinc/28/68/90/1247286890.db2.gz CVKIPMZHAARUKM-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001052438855 1247286897 /nfs/dbraw/zinc/28/68/97/1247286897.db2.gz CVKIPMZHAARUKM-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001052438855 1247286906 /nfs/dbraw/zinc/28/69/06/1247286906.db2.gz CVKIPMZHAARUKM-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052567255 1247576569 /nfs/dbraw/zinc/57/65/69/1247576569.db2.gz VTPOLQYWPJDRDF-INIZCTEOSA-N 2 1 330.476 2.309 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052567255 1247576576 /nfs/dbraw/zinc/57/65/76/1247576576.db2.gz VTPOLQYWPJDRDF-INIZCTEOSA-N 2 1 330.476 2.309 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219681 1247752429 /nfs/dbraw/zinc/75/24/29/1247752429.db2.gz SDZHZPDMIQECAH-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054243562 1247851657 /nfs/dbraw/zinc/85/16/57/1247851657.db2.gz JYSHXYVQHNFVIL-NRFANRHFSA-N 2 1 339.483 2.310 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)cc2C1 ZINC001054281550 1247998940 /nfs/dbraw/zinc/99/89/40/1247998940.db2.gz PPMXXILLUDRGEN-HNAYVOBHSA-N 2 1 327.472 2.392 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281550 1247998958 /nfs/dbraw/zinc/99/89/58/1247998958.db2.gz PPMXXILLUDRGEN-HNAYVOBHSA-N 2 1 327.472 2.392 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281550 1247998973 /nfs/dbraw/zinc/99/89/73/1247998973.db2.gz PPMXXILLUDRGEN-HNAYVOBHSA-N 2 1 327.472 2.392 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071828682 1254690595 /nfs/dbraw/zinc/69/05/95/1254690595.db2.gz SIBQXQDAZMSEKQ-YLJYHZDGSA-N 2 1 341.499 2.397 20 30 EEEDMP C[C@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074811795 1257148689 /nfs/dbraw/zinc/14/86/89/1257148689.db2.gz GDTKQBUUALEPNE-SNRMKQJTSA-N 2 1 340.471 2.122 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001098935339 1257863716 /nfs/dbraw/zinc/86/37/16/1257863716.db2.gz GVZHGLGIEGIGPZ-KXBFYZLASA-N 2 1 337.427 2.038 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001111465145 1257949385 /nfs/dbraw/zinc/94/93/85/1257949385.db2.gz GHVHALLDDWATPD-AQNXPRMDSA-N 2 1 339.483 2.100 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001111465145 1257949393 /nfs/dbraw/zinc/94/93/93/1257949393.db2.gz GHVHALLDDWATPD-AQNXPRMDSA-N 2 1 339.483 2.100 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001111465145 1257949399 /nfs/dbraw/zinc/94/93/99/1257949399.db2.gz GHVHALLDDWATPD-AQNXPRMDSA-N 2 1 339.483 2.100 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001111465145 1257949404 /nfs/dbraw/zinc/94/94/04/1257949404.db2.gz GHVHALLDDWATPD-AQNXPRMDSA-N 2 1 339.483 2.100 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353418 1258095228 /nfs/dbraw/zinc/09/52/28/1258095228.db2.gz BAOSAMUTSMXWHZ-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099552891 1258201356 /nfs/dbraw/zinc/20/13/56/1258201356.db2.gz QBZJNOUJPCANSU-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099552891 1258201363 /nfs/dbraw/zinc/20/13/63/1258201363.db2.gz QBZJNOUJPCANSU-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099552891 1258201369 /nfs/dbraw/zinc/20/13/69/1258201369.db2.gz QBZJNOUJPCANSU-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100858312 1259355086 /nfs/dbraw/zinc/35/50/86/1259355086.db2.gz PGUKWVCVSWCADU-KVZIAJEVSA-N 2 1 327.472 2.187 20 30 EEEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001110417448 1280477547 /nfs/dbraw/zinc/47/75/47/1280477547.db2.gz ZAKGALUKXBZIHR-BDXSIMOUSA-N 2 1 337.508 2.009 20 30 EEEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001110417448 1280477552 /nfs/dbraw/zinc/47/75/52/1280477552.db2.gz ZAKGALUKXBZIHR-BDXSIMOUSA-N 2 1 337.508 2.009 20 30 EEEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001110417448 1280477557 /nfs/dbraw/zinc/47/75/57/1280477557.db2.gz ZAKGALUKXBZIHR-BDXSIMOUSA-N 2 1 337.508 2.009 20 30 EEEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001110417448 1280477563 /nfs/dbraw/zinc/47/75/63/1280477563.db2.gz ZAKGALUKXBZIHR-BDXSIMOUSA-N 2 1 337.508 2.009 20 30 EEEDMP C[N@H+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190946969 1281141662 /nfs/dbraw/zinc/14/16/62/1281141662.db2.gz QCITULNZCQJQEB-VQTJNVASSA-N 2 1 339.483 2.055 20 30 EEEDMP C[N@@H+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190946969 1281141667 /nfs/dbraw/zinc/14/16/67/1281141667.db2.gz QCITULNZCQJQEB-VQTJNVASSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001190946969 1281141672 /nfs/dbraw/zinc/14/16/72/1281141672.db2.gz QCITULNZCQJQEB-VQTJNVASSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001190946969 1281141677 /nfs/dbraw/zinc/14/16/77/1281141677.db2.gz QCITULNZCQJQEB-VQTJNVASSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001192007919 1281760667 /nfs/dbraw/zinc/76/06/67/1281760667.db2.gz SYFVPXCVSPZRNC-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001193571934 1282571153 /nfs/dbraw/zinc/57/11/53/1282571153.db2.gz YKRNNDYKPCHPPO-FQEVSTJZSA-N 2 1 341.499 2.303 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC/C=C/CC)C2)CC1 ZINC001194246916 1282956734 /nfs/dbraw/zinc/95/67/34/1282956734.db2.gz SXAAOEGOKNYNOA-OVKVCFKUSA-N 2 1 331.504 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001196191993 1283926108 /nfs/dbraw/zinc/92/61/08/1283926108.db2.gz STPTUOONUIIILE-OALUTQOASA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001196191993 1283926112 /nfs/dbraw/zinc/92/61/12/1283926112.db2.gz STPTUOONUIIILE-OALUTQOASA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001196191993 1283926119 /nfs/dbraw/zinc/92/61/19/1283926119.db2.gz STPTUOONUIIILE-OALUTQOASA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001196191993 1283926122 /nfs/dbraw/zinc/92/61/22/1283926122.db2.gz STPTUOONUIIILE-OALUTQOASA-N 2 1 333.520 2.301 20 30 EEEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C12CCC2 ZINC001203175580 1284173728 /nfs/dbraw/zinc/17/37/28/1284173728.db2.gz CRFUEENEJOYDGG-QZTJIDSGSA-N 2 1 342.487 2.355 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164575818 1321423207 /nfs/dbraw/zinc/42/32/07/1321423207.db2.gz INHYZIKPDUZPOX-LSDHHAIUSA-N 2 1 327.900 2.345 20 30 EEEDMP CC(C)(C)[C@@]1(CN=NC2=[NH+]CCN2)CC[N@H+](Cc2ccccc2)C1 ZINC000857210212 1293758014 /nfs/dbraw/zinc/75/80/14/1293758014.db2.gz MKHGJFCFQTWLFL-LJQANCHMSA-N 2 1 327.476 2.459 20 30 EEEDMP CC(C)(C)[C@@]1(CN=NC2=[NH+]CCN2)CC[N@@H+](Cc2ccccc2)C1 ZINC000857210212 1293758015 /nfs/dbraw/zinc/75/80/15/1293758015.db2.gz MKHGJFCFQTWLFL-LJQANCHMSA-N 2 1 327.476 2.459 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001213441677 1296032777 /nfs/dbraw/zinc/03/27/77/1296032777.db2.gz CWAPATRNTLNNOL-KZNAEPCWSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001213441677 1296032789 /nfs/dbraw/zinc/03/27/89/1296032789.db2.gz CWAPATRNTLNNOL-KZNAEPCWSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001213441677 1296032796 /nfs/dbraw/zinc/03/27/96/1296032796.db2.gz CWAPATRNTLNNOL-KZNAEPCWSA-N 2 1 339.524 2.114 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216085936 1297060060 /nfs/dbraw/zinc/06/00/60/1297060060.db2.gz FMZNGMBMMVZXSP-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC(CC)CC)C3)CC1 ZINC001073457238 1297088599 /nfs/dbraw/zinc/08/85/99/1297088599.db2.gz HLWFUNZQTOUOEF-UHFFFAOYSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001073457188 1297090445 /nfs/dbraw/zinc/09/04/45/1297090445.db2.gz FHPBBTDQBVTNDD-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001073457188 1297090460 /nfs/dbraw/zinc/09/04/60/1297090460.db2.gz FHPBBTDQBVTNDD-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001073457188 1297090475 /nfs/dbraw/zinc/09/04/75/1297090475.db2.gz FHPBBTDQBVTNDD-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001073457188 1297090487 /nfs/dbraw/zinc/09/04/87/1297090487.db2.gz FHPBBTDQBVTNDD-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054530 1297919191 /nfs/dbraw/zinc/91/91/91/1297919191.db2.gz FITZJDIQNLDVTF-ZWKOTPCHSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219054530 1297919195 /nfs/dbraw/zinc/91/91/95/1297919195.db2.gz FITZJDIQNLDVTF-ZWKOTPCHSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219054530 1297919202 /nfs/dbraw/zinc/91/92/02/1297919202.db2.gz FITZJDIQNLDVTF-ZWKOTPCHSA-N 2 1 339.524 2.209 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164949 1298944553 /nfs/dbraw/zinc/94/45/53/1298944553.db2.gz IDXLNENACUCNLN-QGZVFWFLSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221713867 1299002428 /nfs/dbraw/zinc/00/24/28/1299002428.db2.gz CDQFYHOKFNJPKV-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221713867 1299002446 /nfs/dbraw/zinc/00/24/46/1299002446.db2.gz CDQFYHOKFNJPKV-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221713867 1299002464 /nfs/dbraw/zinc/00/24/64/1299002464.db2.gz CDQFYHOKFNJPKV-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Br)CN1CCC(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001225578153 1301071199 /nfs/dbraw/zinc/07/11/99/1301071199.db2.gz QTUFYJPWURSUJV-UHFFFAOYSA-N 2 1 346.313 2.063 20 30 EEEDMP C=C(Br)C[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001225578153 1301071213 /nfs/dbraw/zinc/07/12/13/1301071213.db2.gz QTUFYJPWURSUJV-UHFFFAOYSA-N 2 1 346.313 2.063 20 30 EEEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953255 1302024947 /nfs/dbraw/zinc/02/49/47/1302024947.db2.gz FBVSCAKCUPNINW-SJLPKXTDSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953255 1302024956 /nfs/dbraw/zinc/02/49/56/1302024956.db2.gz FBVSCAKCUPNINW-SJLPKXTDSA-N 2 1 339.524 2.257 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cccnc1 ZINC001230777709 1303450075 /nfs/dbraw/zinc/45/00/75/1303450075.db2.gz COWKDXAWNNWOPL-UHFFFAOYSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846379 1303497226 /nfs/dbraw/zinc/49/72/26/1303497226.db2.gz HNWQWCLGYSELGY-HKUYNNGSSA-N 2 1 344.503 2.164 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846379 1303497230 /nfs/dbraw/zinc/49/72/30/1303497230.db2.gz HNWQWCLGYSELGY-HKUYNNGSSA-N 2 1 344.503 2.164 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846379 1303497236 /nfs/dbraw/zinc/49/72/36/1303497236.db2.gz HNWQWCLGYSELGY-HKUYNNGSSA-N 2 1 344.503 2.164 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccnc1 ZINC001230923531 1303547555 /nfs/dbraw/zinc/54/75/55/1303547555.db2.gz HZWAPVKGZICWAX-UHFFFAOYSA-N 2 1 330.476 2.062 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917063 1304079936 /nfs/dbraw/zinc/07/99/36/1304079936.db2.gz KMXJKOWLEBUBDY-PXNSSMCTSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194090 1304316180 /nfs/dbraw/zinc/31/61/80/1304316180.db2.gz LQHJUIDBEJSSLM-RBSFLKMASA-N 2 1 347.425 2.273 20 30 EEEDMP C[C@H](CO)C[N@H+]1CCC[C@@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277998884 1305641373 /nfs/dbraw/zinc/64/13/73/1305641373.db2.gz SLDGEYANBDEMDX-FXAWDEMLSA-N 2 1 344.503 2.203 20 30 EEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170352 1309365236 /nfs/dbraw/zinc/36/52/36/1309365236.db2.gz JRMKTQHQGAXUMD-KRWDZBQOSA-N 2 1 337.508 2.082 20 30 EEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170352 1309365241 /nfs/dbraw/zinc/36/52/41/1309365241.db2.gz JRMKTQHQGAXUMD-KRWDZBQOSA-N 2 1 337.508 2.082 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001121915955 1310172591 /nfs/dbraw/zinc/17/25/91/1310172591.db2.gz UUFWWMVDNVCLOA-FUSSNKQKSA-N 2 1 349.519 2.080 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001246304570 1310276551 /nfs/dbraw/zinc/27/65/51/1310276551.db2.gz NNFKKJRNIUXMKC-YJBOKZPZSA-N 2 1 329.444 2.306 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149860763 1316070454 /nfs/dbraw/zinc/07/04/54/1316070454.db2.gz KCONORQMZRNMLT-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149860763 1316070460 /nfs/dbraw/zinc/07/04/60/1316070460.db2.gz KCONORQMZRNMLT-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149860763 1316070467 /nfs/dbraw/zinc/07/04/67/1316070467.db2.gz KCONORQMZRNMLT-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001151174529 1316467017 /nfs/dbraw/zinc/46/70/17/1316467017.db2.gz DKTCLHZSLTZSGT-MSOLQXFVSA-N 2 1 349.519 2.177 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC#Cc1ccccc1)[NH+](C)C ZINC001153998293 1316933321 /nfs/dbraw/zinc/93/33/21/1316933321.db2.gz MWNOOSYMJJUDHF-IEBWSBKVSA-N 2 1 329.488 2.205 20 30 EEEDMP C=CCOc1ccc(-c2noc([C@H]([NH3+])C3CC[NH2+]CC3)n2)c(F)c1 ZINC001249328311 1317055161 /nfs/dbraw/zinc/05/51/61/1317055161.db2.gz VGZNQUUUCIVCQA-OAHLLOKOSA-N 2 1 332.379 2.440 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254869 1317524874 /nfs/dbraw/zinc/52/48/74/1317524874.db2.gz HEQAQYBMRRJYLX-DLBZAZTESA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155254869 1317524879 /nfs/dbraw/zinc/52/48/79/1317524879.db2.gz HEQAQYBMRRJYLX-DLBZAZTESA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155254869 1317524884 /nfs/dbraw/zinc/52/48/84/1317524884.db2.gz HEQAQYBMRRJYLX-DLBZAZTESA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001155883965 1317776992 /nfs/dbraw/zinc/77/69/92/1317776992.db2.gz TXBAKXUPFMPEPH-MSOLQXFVSA-N 2 1 341.540 2.382 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)cc1F ZINC001155900443 1317781367 /nfs/dbraw/zinc/78/13/67/1317781367.db2.gz SULULZGBMYSRQM-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1F ZINC001155900443 1317781373 /nfs/dbraw/zinc/78/13/73/1317781373.db2.gz SULULZGBMYSRQM-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258727171 1319328335 /nfs/dbraw/zinc/32/83/35/1319328335.db2.gz CIWVCNKMWZAJDU-KRWDZBQOSA-N 2 1 347.507 2.451 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158744901 1319415749 /nfs/dbraw/zinc/41/57/49/1319415749.db2.gz WBLYERPBKMSZNZ-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158744901 1319415751 /nfs/dbraw/zinc/41/57/51/1319415751.db2.gz WBLYERPBKMSZNZ-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001160209287 1320099668 /nfs/dbraw/zinc/09/96/68/1320099668.db2.gz GRCAVVPQCFHQRK-LHZAFZKQSA-N 2 1 339.483 2.283 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001160209287 1320099673 /nfs/dbraw/zinc/09/96/73/1320099673.db2.gz GRCAVVPQCFHQRK-LHZAFZKQSA-N 2 1 339.483 2.283 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001160209634 1320099947 /nfs/dbraw/zinc/09/99/47/1320099947.db2.gz SXLHXIGAXVWTGT-SFHVURJKSA-N 2 1 331.504 2.150 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001160209634 1320099950 /nfs/dbraw/zinc/09/99/50/1320099950.db2.gz SXLHXIGAXVWTGT-SFHVURJKSA-N 2 1 331.504 2.150 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1c(F)cccc1F ZINC001160209477 1320100224 /nfs/dbraw/zinc/10/02/24/1320100224.db2.gz MIGUEIDMHILUAO-YOEHRIQHSA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1c(F)cccc1F ZINC001160209477 1320100226 /nfs/dbraw/zinc/10/02/26/1320100226.db2.gz MIGUEIDMHILUAO-YOEHRIQHSA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCC=C)CC1 ZINC001160386452 1320152401 /nfs/dbraw/zinc/15/24/01/1320152401.db2.gz ZWBKIOSBGUQZAE-IBGZPJMESA-N 2 1 329.488 2.189 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCC=C)CC1 ZINC001160386452 1320152402 /nfs/dbraw/zinc/15/24/02/1320152402.db2.gz ZWBKIOSBGUQZAE-IBGZPJMESA-N 2 1 329.488 2.189 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC=C)CC1 ZINC001160386452 1320152404 /nfs/dbraw/zinc/15/24/04/1320152404.db2.gz ZWBKIOSBGUQZAE-IBGZPJMESA-N 2 1 329.488 2.189 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC=C)CC1 ZINC001160386452 1320152407 /nfs/dbraw/zinc/15/24/07/1320152407.db2.gz ZWBKIOSBGUQZAE-IBGZPJMESA-N 2 1 329.488 2.189 20 30 EEEDMP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160869690 1320298124 /nfs/dbraw/zinc/29/81/24/1320298124.db2.gz RKQKIKPIIUIDMD-RBUKOAKNSA-N 2 1 340.471 2.171 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001162906508 1320985284 /nfs/dbraw/zinc/98/52/84/1320985284.db2.gz MTBHBBMDDOTZDW-ICSRJNTNSA-N 2 1 341.499 2.011 20 30 EEEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203919004 1321989200 /nfs/dbraw/zinc/98/92/00/1321989200.db2.gz GRXWWUDPKAUKDL-IBGZPJMESA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334122 1324433071 /nfs/dbraw/zinc/43/30/71/1324433071.db2.gz FVQBXIGOWRYUCG-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308441527 1331591813 /nfs/dbraw/zinc/59/18/13/1331591813.db2.gz MIXXRONIUWYMJX-LPHOPBHVSA-N 2 1 333.451 2.258 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001100460209 1338397163 /nfs/dbraw/zinc/39/71/63/1338397163.db2.gz UOWGPWNRVUJSFI-UHFFFAOYSA-N 2 1 341.499 2.253 20 30 EEEDMP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001574866579 1343707146 /nfs/dbraw/zinc/70/71/46/1343707146.db2.gz IOURYTGZUWSWRQ-IRXDYDNUSA-N 2 1 344.507 2.201 20 30 EEEDMP C#CCC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001673079541 1356644676 /nfs/dbraw/zinc/64/46/76/1356644676.db2.gz FGYMHSNUBFOKQG-LJQANCHMSA-N 2 1 327.472 2.024 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001372674643 1376131272 /nfs/dbraw/zinc/13/12/72/1376131272.db2.gz VFIHCAXVZLZQPF-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001372674643 1376131276 /nfs/dbraw/zinc/13/12/76/1376131276.db2.gz VFIHCAXVZLZQPF-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001372674643 1376131279 /nfs/dbraw/zinc/13/12/79/1376131279.db2.gz VFIHCAXVZLZQPF-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001376568497 1378601094 /nfs/dbraw/zinc/60/10/94/1378601094.db2.gz DATNSSIJFDMILE-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001376568497 1378601098 /nfs/dbraw/zinc/60/10/98/1378601098.db2.gz DATNSSIJFDMILE-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001376568497 1378601101 /nfs/dbraw/zinc/60/11/01/1378601101.db2.gz DATNSSIJFDMILE-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)Cc1ccc(C#N)cc1F ZINC001377312556 1379123912 /nfs/dbraw/zinc/12/39/12/1379123912.db2.gz WMMBEYZHDDDCOY-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)Cc1ccc(C#N)cc1F ZINC001377312556 1379123916 /nfs/dbraw/zinc/12/39/16/1379123916.db2.gz WMMBEYZHDDDCOY-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)Cc1ccc(C#N)cc1F ZINC001377312556 1379123921 /nfs/dbraw/zinc/12/39/21/1379123921.db2.gz WMMBEYZHDDDCOY-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)Cc1ccc(C#N)cc1F ZINC001377312556 1379123926 /nfs/dbraw/zinc/12/39/26/1379123926.db2.gz WMMBEYZHDDDCOY-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001377419573 1379226084 /nfs/dbraw/zinc/22/60/84/1379226084.db2.gz UXNYAAFTTNLTBR-BBRMVZONSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001377419573 1379226090 /nfs/dbraw/zinc/22/60/90/1379226090.db2.gz UXNYAAFTTNLTBR-BBRMVZONSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC001390474422 1388647486 /nfs/dbraw/zinc/64/74/86/1388647486.db2.gz DRKIBMJOMJOYSM-AWEZNQCLSA-N 2 1 348.466 2.270 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001380670368 1381330712 /nfs/dbraw/zinc/33/07/12/1381330712.db2.gz NNYPNFWITQNRSE-HUUCEWRRSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[C@@H](C(=O)NCC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1)[NH+](C)C ZINC001391201683 1389127739 /nfs/dbraw/zinc/12/77/39/1389127739.db2.gz SKLYOZNDZGXHPO-SFHVURJKSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001392183926 1389873899 /nfs/dbraw/zinc/87/38/99/1389873899.db2.gz SMMQVJRXMCWHMH-LPHOPBHVSA-N 2 1 342.487 2.227 20 30 EEEDMP C#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752836911 1406466696 /nfs/dbraw/zinc/46/66/96/1406466696.db2.gz PYVGBZMPXILRLS-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752836911 1406466702 /nfs/dbraw/zinc/46/67/02/1406466702.db2.gz PYVGBZMPXILRLS-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752836911 1406466707 /nfs/dbraw/zinc/46/67/07/1406466707.db2.gz PYVGBZMPXILRLS-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC1)C1CCC1 ZINC001398404334 1392470933 /nfs/dbraw/zinc/47/09/33/1392470933.db2.gz KPTSWZOCHMCKPV-LJQANCHMSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2cc(C)ccc2F)CC1 ZINC001753074656 1406665587 /nfs/dbraw/zinc/66/55/87/1406665587.db2.gz PMGPYEPAETZNNE-UHFFFAOYSA-N 2 1 345.462 2.027 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2cc(C)ccc2F)CC1 ZINC001753074656 1406665598 /nfs/dbraw/zinc/66/55/98/1406665598.db2.gz PMGPYEPAETZNNE-UHFFFAOYSA-N 2 1 345.462 2.027 20 30 EEEDMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC#Cc1ccccc1 ZINC001753082053 1406671599 /nfs/dbraw/zinc/67/15/99/1406671599.db2.gz AAUHCYZRNUJYIX-FQEVSTJZSA-N 2 1 341.499 2.351 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC#Cc1ccccc1 ZINC001753082053 1406671604 /nfs/dbraw/zinc/67/16/04/1406671604.db2.gz AAUHCYZRNUJYIX-FQEVSTJZSA-N 2 1 341.499 2.351 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC#Cc1ccccc1 ZINC001753082053 1406671609 /nfs/dbraw/zinc/67/16/09/1406671609.db2.gz AAUHCYZRNUJYIX-FQEVSTJZSA-N 2 1 341.499 2.351 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC#Cc1ccccc1 ZINC001753082053 1406671614 /nfs/dbraw/zinc/67/16/14/1406671614.db2.gz AAUHCYZRNUJYIX-FQEVSTJZSA-N 2 1 341.499 2.351 20 30 EEEDMP CC(C)C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401268086 1397102171 /nfs/dbraw/zinc/10/21/71/1397102171.db2.gz CNKRHIFAJNLTHV-RTBURBONSA-N 2 1 342.487 2.273 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001401595447 1397465427 /nfs/dbraw/zinc/46/54/27/1397465427.db2.gz FVZUBVVGZBJFHM-WMLDXEAASA-N 2 1 348.516 2.336 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001402004389 1397719064 /nfs/dbraw/zinc/71/90/64/1397719064.db2.gz MGVBYEMMTOXZKH-NVXWUHKLSA-N 2 1 345.890 2.343 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001402004389 1397719071 /nfs/dbraw/zinc/71/90/71/1397719071.db2.gz MGVBYEMMTOXZKH-NVXWUHKLSA-N 2 1 345.890 2.343 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001402066448 1397744386 /nfs/dbraw/zinc/74/43/86/1397744386.db2.gz RGDRTXWHHBTGFL-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001402434213 1397998193 /nfs/dbraw/zinc/99/81/93/1397998193.db2.gz RPNQBGCNQPVPGW-UONOGXRCSA-N 2 1 346.313 2.063 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(F)c(C#N)c2)CCC1 ZINC001402575759 1398066970 /nfs/dbraw/zinc/06/69/70/1398066970.db2.gz SKIRBQWUWHWIMW-UHFFFAOYSA-N 2 1 346.450 2.168 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1C ZINC001425876746 1401787271 /nfs/dbraw/zinc/78/72/71/1401787271.db2.gz FHZRANIWBZFCRP-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001425914294 1401801119 /nfs/dbraw/zinc/80/11/19/1401801119.db2.gz LWUJNSJALGRZCT-UONOGXRCSA-N 2 1 334.489 2.041 20 30 EEEDMP C=CC1(CC(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)C[NH2+]C1 ZINC001574880215 1403527406 /nfs/dbraw/zinc/52/74/06/1403527406.db2.gz KMNVKGGMNVEACO-UHFFFAOYSA-N 2 1 339.483 2.201 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001755705453 1407757084 /nfs/dbraw/zinc/75/70/84/1407757084.db2.gz YXEJGFVGALVGEX-QUCCMNQESA-N 2 1 349.519 2.177 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]21 ZINC001755707233 1407759859 /nfs/dbraw/zinc/75/98/59/1407759859.db2.gz FQZFANONQWMVHC-GUDVDZBRSA-N 2 1 342.487 2.212 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448092 760371016 /nfs/dbraw/zinc/37/10/16/760371016.db2.gz NOVQMYCQJCSJIK-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448092 760371019 /nfs/dbraw/zinc/37/10/19/760371019.db2.gz NOVQMYCQJCSJIK-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448092 760371028 /nfs/dbraw/zinc/37/10/28/760371028.db2.gz NOVQMYCQJCSJIK-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cncc3C)CC2)CC1 ZINC001075455856 760777577 /nfs/dbraw/zinc/77/75/77/760777577.db2.gz SBTMKFBXPAFDIN-SFHVURJKSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC001075455856 760777583 /nfs/dbraw/zinc/77/75/83/760777583.db2.gz SBTMKFBXPAFDIN-SFHVURJKSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC001075455856 760777588 /nfs/dbraw/zinc/77/75/88/760777588.db2.gz SBTMKFBXPAFDIN-SFHVURJKSA-N 2 1 342.487 2.165 20 30 EEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001104775417 765267395 /nfs/dbraw/zinc/26/73/95/765267395.db2.gz FOLZKXLYQBFZBA-UMVBOHGHSA-N 2 1 338.883 2.415 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520634 782610390 /nfs/dbraw/zinc/61/03/90/782610390.db2.gz IVJPGUOSXYLEMM-HOTGVXAUSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520634 782610394 /nfs/dbraw/zinc/61/03/94/782610394.db2.gz IVJPGUOSXYLEMM-HOTGVXAUSA-N 2 1 330.476 2.165 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530368 782631508 /nfs/dbraw/zinc/63/15/08/782631508.db2.gz RAXDAZQCTSBAAF-FXAWDEMLSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087964442 782655128 /nfs/dbraw/zinc/65/51/28/782655128.db2.gz KYLBXWIKYWWEMX-IXDOHACOSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964442 782655134 /nfs/dbraw/zinc/65/51/34/782655134.db2.gz KYLBXWIKYWWEMX-IXDOHACOSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964442 782655138 /nfs/dbraw/zinc/65/51/38/782655138.db2.gz KYLBXWIKYWWEMX-IXDOHACOSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964442 782655142 /nfs/dbraw/zinc/65/51/42/782655142.db2.gz KYLBXWIKYWWEMX-IXDOHACOSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089560506 770356832 /nfs/dbraw/zinc/35/68/32/770356832.db2.gz ZMXMRCALBBWCLG-LSDHHAIUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560506 770356844 /nfs/dbraw/zinc/35/68/44/770356844.db2.gz ZMXMRCALBBWCLG-LSDHHAIUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560506 770356856 /nfs/dbraw/zinc/35/68/56/770356856.db2.gz ZMXMRCALBBWCLG-LSDHHAIUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001105412835 783025112 /nfs/dbraw/zinc/02/51/12/783025112.db2.gz DPQPVXQKGADBSI-SBHAEUEKSA-N 2 1 341.499 2.463 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981185295 776731146 /nfs/dbraw/zinc/73/11/46/776731146.db2.gz SSZDTSNVXBCHHW-STQMWFEESA-N 2 1 340.855 2.119 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028094353 777424745 /nfs/dbraw/zinc/42/47/45/777424745.db2.gz XYCFBVJLGWTSHB-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094353 777424750 /nfs/dbraw/zinc/42/47/50/777424750.db2.gz XYCFBVJLGWTSHB-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094353 777424754 /nfs/dbraw/zinc/42/47/54/777424754.db2.gz XYCFBVJLGWTSHB-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772456 778173005 /nfs/dbraw/zinc/17/30/05/778173005.db2.gz VXXCCXOYYOUMNG-GOSISDBHSA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981959047 778665544 /nfs/dbraw/zinc/66/55/44/778665544.db2.gz WWCRDIXMXZEXCI-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981959047 778665545 /nfs/dbraw/zinc/66/55/45/778665545.db2.gz WWCRDIXMXZEXCI-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981959047 778665547 /nfs/dbraw/zinc/66/55/47/778665547.db2.gz WWCRDIXMXZEXCI-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC000982012600 778863127 /nfs/dbraw/zinc/86/31/27/778863127.db2.gz AWNGXHWWVIJGDQ-IBGZPJMESA-N 2 1 337.483 2.309 20 30 EEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000982012600 778863140 /nfs/dbraw/zinc/86/31/40/778863140.db2.gz AWNGXHWWVIJGDQ-IBGZPJMESA-N 2 1 337.483 2.309 20 30 EEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000982012600 778863146 /nfs/dbraw/zinc/86/31/46/778863146.db2.gz AWNGXHWWVIJGDQ-IBGZPJMESA-N 2 1 337.483 2.309 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982296655 779613691 /nfs/dbraw/zinc/61/36/91/779613691.db2.gz WVTBVEMSWKVUBB-SESVDKBCSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982296655 779613694 /nfs/dbraw/zinc/61/36/94/779613694.db2.gz WVTBVEMSWKVUBB-SESVDKBCSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982296655 779613697 /nfs/dbraw/zinc/61/36/97/779613697.db2.gz WVTBVEMSWKVUBB-SESVDKBCSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982308080 779669605 /nfs/dbraw/zinc/66/96/05/779669605.db2.gz MRBGLLSQPNWHGO-RYQLBKOJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982308080 779669607 /nfs/dbraw/zinc/66/96/07/779669607.db2.gz MRBGLLSQPNWHGO-RYQLBKOJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308080 779669609 /nfs/dbraw/zinc/66/96/09/779669609.db2.gz MRBGLLSQPNWHGO-RYQLBKOJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308080 779669613 /nfs/dbraw/zinc/66/96/13/779669613.db2.gz MRBGLLSQPNWHGO-RYQLBKOJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@]2(C)C1 ZINC000982485337 780759265 /nfs/dbraw/zinc/75/92/65/780759265.db2.gz GXLAXSIWWQHURR-FFZOFVMBSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@]2(C)C1 ZINC000982485337 780759271 /nfs/dbraw/zinc/75/92/71/780759271.db2.gz GXLAXSIWWQHURR-FFZOFVMBSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122383 780871196 /nfs/dbraw/zinc/87/11/96/780871196.db2.gz KKWOGWWJPLDTOG-KFWWJZLASA-N 2 1 347.425 2.416 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135857326 784638186 /nfs/dbraw/zinc/63/81/86/784638186.db2.gz GTRXGEZLBDCXDK-LSDHHAIUSA-N 2 1 348.466 2.412 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135857664 784640372 /nfs/dbraw/zinc/64/03/72/784640372.db2.gz MDMGRSHQYIDXPU-HOTGVXAUSA-N 2 1 330.476 2.273 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135861960 784653120 /nfs/dbraw/zinc/65/31/20/784653120.db2.gz ZQGNBZRHQDPEAR-HUUCEWRRSA-N 2 1 348.466 2.412 20 30 EEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997785815 791081504 /nfs/dbraw/zinc/08/15/04/791081504.db2.gz FDSHGCHHYBOGPP-PKOBYXMFSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000818599474 785318225 /nfs/dbraw/zinc/31/82/25/785318225.db2.gz RXGYVKONFVLBPH-LJQANCHMSA-N 2 1 345.462 2.252 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000818599474 785318234 /nfs/dbraw/zinc/31/82/34/785318234.db2.gz RXGYVKONFVLBPH-LJQANCHMSA-N 2 1 345.462 2.252 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000818599474 785318242 /nfs/dbraw/zinc/31/82/42/785318242.db2.gz RXGYVKONFVLBPH-LJQANCHMSA-N 2 1 345.462 2.252 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000818599474 785318250 /nfs/dbraw/zinc/31/82/50/785318250.db2.gz RXGYVKONFVLBPH-LJQANCHMSA-N 2 1 345.462 2.252 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107435798 787236793 /nfs/dbraw/zinc/23/67/93/787236793.db2.gz APSIXBHQPJYEQF-QWFCFKBJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435798 787236799 /nfs/dbraw/zinc/23/67/99/787236799.db2.gz APSIXBHQPJYEQF-QWFCFKBJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435798 787236808 /nfs/dbraw/zinc/23/68/08/787236808.db2.gz APSIXBHQPJYEQF-QWFCFKBJSA-N 2 1 331.504 2.243 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000996994821 788390090 /nfs/dbraw/zinc/39/00/90/788390090.db2.gz KCRHPXDKXDOHJH-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997188813 789388737 /nfs/dbraw/zinc/38/87/37/789388737.db2.gz UIJQURUGBIMCBD-CQSZACIVSA-N 2 1 334.464 2.143 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000923584749 789827905 /nfs/dbraw/zinc/82/79/05/789827905.db2.gz XDMJSOBFIZRWRP-LJQANCHMSA-N 2 1 325.456 2.110 20 30 EEEDMP CCc1nc(C[NH+]2CCC(CNC(NC3CC3)=[NH+]C)CC2)cs1 ZINC000171801612 791480004 /nfs/dbraw/zinc/48/00/04/791480004.db2.gz HGDDVOLJIPTEII-UHFFFAOYSA-N 2 1 335.521 2.245 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998005685 791817576 /nfs/dbraw/zinc/81/75/76/791817576.db2.gz HRSQCFWVNHBKBC-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147647381 791897542 /nfs/dbraw/zinc/89/75/42/791897542.db2.gz SXXABAIZBHKFOR-INIZCTEOSA-N 2 1 325.472 2.167 20 30 EEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147984836 792108217 /nfs/dbraw/zinc/10/82/17/792108217.db2.gz APSHCKWYUQJCFH-UHFFFAOYSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147984836 792108222 /nfs/dbraw/zinc/10/82/22/792108222.db2.gz APSHCKWYUQJCFH-UHFFFAOYSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001147984836 792108228 /nfs/dbraw/zinc/10/82/28/792108228.db2.gz APSHCKWYUQJCFH-UHFFFAOYSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403322 792938569 /nfs/dbraw/zinc/93/85/69/792938569.db2.gz ILFPOMVVSNUBEY-RCCFBDPRSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403322 792938572 /nfs/dbraw/zinc/93/85/72/792938572.db2.gz ILFPOMVVSNUBEY-RCCFBDPRSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403322 792938577 /nfs/dbraw/zinc/93/85/77/792938577.db2.gz ILFPOMVVSNUBEY-RCCFBDPRSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001086957158 793100308 /nfs/dbraw/zinc/10/03/08/793100308.db2.gz GOXUKZCJAPPXFS-INIZCTEOSA-N 2 1 330.476 2.471 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992297645 793563237 /nfs/dbraw/zinc/56/32/37/793563237.db2.gz JQWOHYJMAUPVAG-NLWGTHIKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092190850 793653350 /nfs/dbraw/zinc/65/33/50/793653350.db2.gz YJXLQNMSGPAEIW-SBHAEUEKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190850 793653356 /nfs/dbraw/zinc/65/33/56/793653356.db2.gz YJXLQNMSGPAEIW-SBHAEUEKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190850 793653361 /nfs/dbraw/zinc/65/33/61/793653361.db2.gz YJXLQNMSGPAEIW-SBHAEUEKSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092651107 794178438 /nfs/dbraw/zinc/17/84/38/794178438.db2.gz IJPJENHEHFWWPK-GDBMZVCRSA-N 2 1 333.501 2.131 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C[C@H](C)CC)CC3)CC1 ZINC000992511248 794459496 /nfs/dbraw/zinc/45/94/96/794459496.db2.gz QMJSUDISYUXLAD-LMNJBCLMSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092964903 794503551 /nfs/dbraw/zinc/50/35/51/794503551.db2.gz SWOJRKRWXLZAKE-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092964903 794503557 /nfs/dbraw/zinc/50/35/57/794503557.db2.gz SWOJRKRWXLZAKE-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997249 795304233 /nfs/dbraw/zinc/30/42/33/795304233.db2.gz VCIAGKUWJGVMJG-LPHOPBHVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107997249 795304239 /nfs/dbraw/zinc/30/42/39/795304239.db2.gz VCIAGKUWJGVMJG-LPHOPBHVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001107997249 795304247 /nfs/dbraw/zinc/30/42/47/795304247.db2.gz VCIAGKUWJGVMJG-LPHOPBHVSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993397133 796540336 /nfs/dbraw/zinc/54/03/36/796540336.db2.gz PSANJQHEAARWEY-GOEBONIOSA-N 2 1 333.501 2.416 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993397133 796540339 /nfs/dbraw/zinc/54/03/39/796540339.db2.gz PSANJQHEAARWEY-GOEBONIOSA-N 2 1 333.501 2.416 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081126812 796670230 /nfs/dbraw/zinc/67/02/30/796670230.db2.gz GILKDOZQESCHRA-HSALFYBXSA-N 2 1 339.483 2.078 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171872301 796760520 /nfs/dbraw/zinc/76/05/20/796760520.db2.gz BPYZBTDRXLPFJJ-BOHSKOPMSA-N 2 1 349.519 2.080 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993577208 796805683 /nfs/dbraw/zinc/80/56/83/796805683.db2.gz PUZWRFHMODJRNB-GDBMZVCRSA-N 2 1 325.416 2.036 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875113 797524739 /nfs/dbraw/zinc/52/47/39/797524739.db2.gz MUPZLXCTAGEBCE-NSHGMRRFSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875113 797524749 /nfs/dbraw/zinc/52/47/49/797524749.db2.gz MUPZLXCTAGEBCE-NSHGMRRFSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875113 797524753 /nfs/dbraw/zinc/52/47/53/797524753.db2.gz MUPZLXCTAGEBCE-NSHGMRRFSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040543150 798004482 /nfs/dbraw/zinc/00/44/82/798004482.db2.gz HNGGYLSEWAQOQL-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001177169979 798760746 /nfs/dbraw/zinc/76/07/46/798760746.db2.gz JTMBKCGOJZZUGT-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001177169979 798760751 /nfs/dbraw/zinc/76/07/51/798760751.db2.gz JTMBKCGOJZZUGT-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178534996 799512412 /nfs/dbraw/zinc/51/24/12/799512412.db2.gz FERJAQQFUQOGAL-ROUUACIJSA-N 2 1 337.508 2.082 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178722523 799581193 /nfs/dbraw/zinc/58/11/93/799581193.db2.gz JDYOBPSPMDXRMQ-SFHVURJKSA-N 2 1 339.499 2.490 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178722523 799581196 /nfs/dbraw/zinc/58/11/96/799581196.db2.gz JDYOBPSPMDXRMQ-SFHVURJKSA-N 2 1 339.499 2.490 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001179986944 800199962 /nfs/dbraw/zinc/19/99/62/800199962.db2.gz IFLNENKKYIAPAQ-KSSFIOAISA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCCC2)CC1 ZINC001085984467 801849575 /nfs/dbraw/zinc/84/95/75/801849575.db2.gz DYTRIVXQFDVUAF-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004461808 802133276 /nfs/dbraw/zinc/13/32/76/802133276.db2.gz ARTVAQJDMKLBCT-MOPGFXCFSA-N 2 1 333.520 2.299 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001184702503 802138230 /nfs/dbraw/zinc/13/82/30/802138230.db2.gz ZUGHYIZWWQNVQH-CABCVRRESA-N 2 1 334.464 2.000 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946643054 802553348 /nfs/dbraw/zinc/55/33/48/802553348.db2.gz ZKTOLGGOBNLHKC-WCIQWLHISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946643054 802553354 /nfs/dbraw/zinc/55/33/54/802553354.db2.gz ZKTOLGGOBNLHKC-WCIQWLHISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946643054 802553360 /nfs/dbraw/zinc/55/33/60/802553360.db2.gz ZKTOLGGOBNLHKC-WCIQWLHISA-N 2 1 343.515 2.197 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287370 803186650 /nfs/dbraw/zinc/18/66/50/803186650.db2.gz RQBPCOWWDIDNMU-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086595476 809095187 /nfs/dbraw/zinc/09/51/87/809095187.db2.gz DCTIQFRPUFGZCL-XUVXKRRUSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086595476 809095196 /nfs/dbraw/zinc/09/51/96/809095196.db2.gz DCTIQFRPUFGZCL-XUVXKRRUSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001086595476 809095203 /nfs/dbraw/zinc/09/52/03/809095203.db2.gz DCTIQFRPUFGZCL-XUVXKRRUSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001086595476 809095211 /nfs/dbraw/zinc/09/52/11/809095211.db2.gz DCTIQFRPUFGZCL-XUVXKRRUSA-N 2 1 339.483 2.078 20 30 EEEDMP N#CC1(c2ccccc2)CCC([NH2+][C@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC001170364872 809908861 /nfs/dbraw/zinc/90/88/61/809908861.db2.gz JNAVJZQANLAHFR-XVAXZDLZSA-N 2 1 338.499 2.403 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001130711625 811960999 /nfs/dbraw/zinc/96/09/99/811960999.db2.gz YHTCJXOIWWOMEC-SFHVURJKSA-N 2 1 346.450 2.024 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000807493146 812246669 /nfs/dbraw/zinc/24/66/69/812246669.db2.gz HAKRZUKLXAOYGO-WDSOQIARSA-N 2 1 327.472 2.200 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000807493146 812246677 /nfs/dbraw/zinc/24/66/77/812246677.db2.gz HAKRZUKLXAOYGO-WDSOQIARSA-N 2 1 327.472 2.200 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001439675472 1092616203 /nfs/dbraw/zinc/61/62/03/1092616203.db2.gz HWXQOCYXBGTTHA-GOSISDBHSA-N 2 1 340.471 2.171 20 30 EEEDMP C=C(Br)CN(C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001447339896 1102477703 /nfs/dbraw/zinc/47/77/03/1102477703.db2.gz IWLBUHZLFBOSGY-AWEZNQCLSA-N 2 1 346.313 2.160 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000491808540 533100420 /nfs/dbraw/zinc/10/04/20/533100420.db2.gz WFDGCRNGZWWLKD-OALUTQOASA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000491808540 533100424 /nfs/dbraw/zinc/10/04/24/533100424.db2.gz WFDGCRNGZWWLKD-OALUTQOASA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000491808540 533100430 /nfs/dbraw/zinc/10/04/30/533100430.db2.gz WFDGCRNGZWWLKD-OALUTQOASA-N 2 1 348.535 2.238 20 30 EEEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N(C)Cc1cc(Cl)cn1C ZINC000158778408 463251273 /nfs/dbraw/zinc/25/12/73/463251273.db2.gz XWFLCRDGWLIZQH-CYBMUJFWSA-N 2 1 337.899 2.170 20 30 EEEDMP CCc1cccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000264074678 464279307 /nfs/dbraw/zinc/27/93/07/464279307.db2.gz FHXFKWZNZOCMDZ-MRXNPFEDSA-N 2 1 331.508 2.249 20 30 EEEDMP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000249782080 464915275 /nfs/dbraw/zinc/91/52/75/464915275.db2.gz ZZACLGMUBMBJLS-DLBZAZTESA-N 2 1 327.472 2.146 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nc(C(F)(F)F)cs1 ZINC000267430407 464932230 /nfs/dbraw/zinc/93/22/30/464932230.db2.gz MLIKLINISYTDBP-JTQLQIEISA-N 2 1 349.426 2.093 20 30 EEEDMP C#CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371469777 465816021 /nfs/dbraw/zinc/81/60/21/465816021.db2.gz GPXHCPAHAFFFAD-DFQSSKMNSA-N 2 1 328.456 2.382 20 30 EEEDMP C#CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371469777 465816024 /nfs/dbraw/zinc/81/60/24/465816024.db2.gz GPXHCPAHAFFFAD-DFQSSKMNSA-N 2 1 328.456 2.382 20 30 EEEDMP N#CCCC[C@@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000580309401 468474846 /nfs/dbraw/zinc/47/48/46/468474846.db2.gz VVCBWDDHCSNPDL-CQSZACIVSA-N 2 1 335.477 2.479 20 30 EEEDMP C[C@H](c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1)[NH+]1CCOCC1 ZINC000424164507 466994251 /nfs/dbraw/zinc/99/42/51/466994251.db2.gz ZLJRMBFCFMMUDZ-RHSMWYFYSA-N 2 1 330.432 2.039 20 30 EEEDMP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424164591 466994818 /nfs/dbraw/zinc/99/48/18/466994818.db2.gz CMUVSNBNKUOSBX-ROUUACIJSA-N 2 1 328.460 2.131 20 30 EEEDMP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424164591 466994822 /nfs/dbraw/zinc/99/48/22/466994822.db2.gz CMUVSNBNKUOSBX-ROUUACIJSA-N 2 1 328.460 2.131 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000567680094 468181262 /nfs/dbraw/zinc/18/12/62/468181262.db2.gz PBAMGAXYBBHPNJ-LJQANCHMSA-N 2 1 343.471 2.122 20 30 EEEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000570721211 468683264 /nfs/dbraw/zinc/68/32/64/468683264.db2.gz UZABVZJWAHVCAU-APWZRJJASA-N 2 1 326.444 2.176 20 30 EEEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000570721211 468683267 /nfs/dbraw/zinc/68/32/67/468683267.db2.gz UZABVZJWAHVCAU-APWZRJJASA-N 2 1 326.444 2.176 20 30 EEEDMP C(#CC[N@@H+]1CCOC2(CCCC2)C1)CN1CCOC2(CCCC2)C1 ZINC000560159890 468770367 /nfs/dbraw/zinc/77/03/67/468770367.db2.gz WBGLCOOVLLJGFO-UHFFFAOYSA-N 2 1 332.488 2.280 20 30 EEEDMP C(#CC[N@H+]1CCOC2(CCCC2)C1)CN1CCOC2(CCCC2)C1 ZINC000560159890 468770372 /nfs/dbraw/zinc/77/03/72/468770372.db2.gz WBGLCOOVLLJGFO-UHFFFAOYSA-N 2 1 332.488 2.280 20 30 EEEDMP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000611439503 469249947 /nfs/dbraw/zinc/24/99/47/469249947.db2.gz YCRLSUZJHUJAGJ-UHFFFAOYSA-N 2 1 327.472 2.437 20 30 EEEDMP CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658945 469329013 /nfs/dbraw/zinc/32/90/13/469329013.db2.gz YAUYLNRHZHAFPL-FQEVSTJZSA-N 2 1 342.487 2.379 20 30 EEEDMP CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658945 469329015 /nfs/dbraw/zinc/32/90/15/469329015.db2.gz YAUYLNRHZHAFPL-FQEVSTJZSA-N 2 1 342.487 2.379 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660705919 471453507 /nfs/dbraw/zinc/45/35/07/471453507.db2.gz XSJNAOZHJVHTED-KRWDZBQOSA-N 2 1 334.508 2.058 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168021207 782134229 /nfs/dbraw/zinc/13/42/29/782134229.db2.gz CJUFPXJPCBVXMV-UONOGXRCSA-N 2 1 344.297 2.008 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087725999 782138753 /nfs/dbraw/zinc/13/87/53/782138753.db2.gz NTHKSHDGPGLICS-BPQIPLTHSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087725999 782138759 /nfs/dbraw/zinc/13/87/59/782138759.db2.gz NTHKSHDGPGLICS-BPQIPLTHSA-N 2 1 330.476 2.299 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000371529370 528810649 /nfs/dbraw/zinc/81/06/49/528810649.db2.gz RUYUXKNMDBJCET-UHFFFAOYSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021692307 676350378 /nfs/dbraw/zinc/35/03/78/676350378.db2.gz SZXYXRJKTAASGF-WOJBJXKFSA-N 2 1 339.483 2.308 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700006 676358925 /nfs/dbraw/zinc/35/89/25/676358925.db2.gz MDIYYOBLIBYRKG-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CC(=C)C)CC[C@H]32)CC1 ZINC001021739685 676398412 /nfs/dbraw/zinc/39/84/12/676398412.db2.gz LWIDPWZXKYTSMU-WOJBJXKFSA-N 2 1 343.515 2.221 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC000972332230 678556075 /nfs/dbraw/zinc/55/60/75/678556075.db2.gz OPPOQZCCGVDGER-LSDHHAIUSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC000972332230 678556078 /nfs/dbraw/zinc/55/60/78/678556078.db2.gz OPPOQZCCGVDGER-LSDHHAIUSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000972332230 678556079 /nfs/dbraw/zinc/55/60/79/678556079.db2.gz OPPOQZCCGVDGER-LSDHHAIUSA-N 2 1 346.500 2.137 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750363 681412983 /nfs/dbraw/zinc/41/29/83/681412983.db2.gz PTWWRCDXTZDFBN-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC2CCC2)CC1 ZINC001024813304 681466410 /nfs/dbraw/zinc/46/64/10/681466410.db2.gz YVNKHSSJCMVXJJ-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982618553 681806414 /nfs/dbraw/zinc/80/64/14/681806414.db2.gz XGHDUGTYXIBOMA-SESVDKBCSA-N 2 1 345.531 2.445 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001026464493 684677852 /nfs/dbraw/zinc/67/78/52/684677852.db2.gz JCWJHRXCNWXKKE-CTWPCTMYSA-N 2 1 340.471 2.169 20 30 EEEDMP C[NH+]=C(NCc1ccco1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195165299 684997991 /nfs/dbraw/zinc/99/79/91/684997991.db2.gz QZLIFWYGZSXVES-QGZVFWFLSA-N 2 1 326.444 2.467 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC3CCC3)C2)CC1 ZINC001027693584 693999780 /nfs/dbraw/zinc/99/97/80/693999780.db2.gz GCKHQOZZGMGHPO-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(CC)CC)CC1 ZINC001029597554 686470687 /nfs/dbraw/zinc/47/06/87/686470687.db2.gz XOSSAYXFUDZSLK-BGYRXZFFSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cnc3c2CCCC3)C1 ZINC001027494009 692401529 /nfs/dbraw/zinc/40/15/29/692401529.db2.gz RUWKFRRWJIXQRI-INIZCTEOSA-N 2 1 330.476 2.261 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001027494009 692401531 /nfs/dbraw/zinc/40/15/31/692401531.db2.gz RUWKFRRWJIXQRI-INIZCTEOSA-N 2 1 330.476 2.261 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001027494009 692401533 /nfs/dbraw/zinc/40/15/33/692401533.db2.gz RUWKFRRWJIXQRI-INIZCTEOSA-N 2 1 330.476 2.261 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040245699 692637391 /nfs/dbraw/zinc/63/73/91/692637391.db2.gz WMDSPLYLJRVGMH-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040245699 692637393 /nfs/dbraw/zinc/63/73/93/692637393.db2.gz WMDSPLYLJRVGMH-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040245699 692637395 /nfs/dbraw/zinc/63/73/95/692637395.db2.gz WMDSPLYLJRVGMH-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880049 1192633154 /nfs/dbraw/zinc/63/31/54/1192633154.db2.gz GYODVUIZWFHNNV-HAGHYFMRSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001105429240 1187056536 /nfs/dbraw/zinc/05/65/36/1187056536.db2.gz RVDQJVRAFNWFSC-IRFCIJBXSA-N 2 1 341.499 2.463 20 30 EEEDMP C[NH+](C)C1CCC([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001168324027 1188293070 /nfs/dbraw/zinc/29/30/70/1188293070.db2.gz GUIBWGBUBFNESF-UHFFFAOYSA-N 2 1 327.476 2.338 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001168363254 1188563422 /nfs/dbraw/zinc/56/34/22/1188563422.db2.gz AAPDHSCIDMDYQS-UHFFFAOYSA-N 2 1 345.472 2.201 20 30 EEEDMP N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001272671636 1191012518 /nfs/dbraw/zinc/01/25/18/1191012518.db2.gz AWGJBVGCYOIKPN-QZTJIDSGSA-N 2 1 337.427 2.432 20 30 EEEDMP N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001272671636 1191012522 /nfs/dbraw/zinc/01/25/22/1191012522.db2.gz AWGJBVGCYOIKPN-QZTJIDSGSA-N 2 1 337.427 2.432 20 30 EEEDMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001486178762 1193716619 /nfs/dbraw/zinc/71/66/19/1193716619.db2.gz DWODVYZEAOROSD-YOEHRIQHSA-N 2 1 348.516 2.431 20 30 EEEDMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001486178762 1193716621 /nfs/dbraw/zinc/71/66/21/1193716621.db2.gz DWODVYZEAOROSD-YOEHRIQHSA-N 2 1 348.516 2.431 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034139185 1195811962 /nfs/dbraw/zinc/81/19/62/1195811962.db2.gz SJSGOLLJAIWSFR-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001034139185 1195811965 /nfs/dbraw/zinc/81/19/65/1195811965.db2.gz SJSGOLLJAIWSFR-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001034139185 1195811967 /nfs/dbraw/zinc/81/19/67/1195811967.db2.gz SJSGOLLJAIWSFR-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248904 1195982555 /nfs/dbraw/zinc/98/25/55/1195982555.db2.gz HEWVHHVJRSHNAM-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248904 1195982557 /nfs/dbraw/zinc/98/25/57/1195982557.db2.gz HEWVHHVJRSHNAM-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248904 1195982561 /nfs/dbraw/zinc/98/25/61/1195982561.db2.gz HEWVHHVJRSHNAM-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034241143 1195991770 /nfs/dbraw/zinc/99/17/70/1195991770.db2.gz PBYFHNQHPROMQQ-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034241143 1195991772 /nfs/dbraw/zinc/99/17/72/1195991772.db2.gz PBYFHNQHPROMQQ-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034241143 1195991781 /nfs/dbraw/zinc/99/17/81/1195991781.db2.gz PBYFHNQHPROMQQ-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034399315 1196189830 /nfs/dbraw/zinc/18/98/30/1196189830.db2.gz SHWXGZXWXXHBRM-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034399315 1196189831 /nfs/dbraw/zinc/18/98/31/1196189831.db2.gz SHWXGZXWXXHBRM-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034399315 1196189834 /nfs/dbraw/zinc/18/98/34/1196189834.db2.gz SHWXGZXWXXHBRM-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132311800 1199563222 /nfs/dbraw/zinc/56/32/22/1199563222.db2.gz YJOLWTJHZULLBN-HKUYNNGSSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132311800 1199563225 /nfs/dbraw/zinc/56/32/25/1199563225.db2.gz YJOLWTJHZULLBN-HKUYNNGSSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132311800 1199563230 /nfs/dbraw/zinc/56/32/30/1199563230.db2.gz YJOLWTJHZULLBN-HKUYNNGSSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132311800 1199563235 /nfs/dbraw/zinc/56/32/35/1199563235.db2.gz YJOLWTJHZULLBN-HKUYNNGSSA-N 2 1 329.488 2.316 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132409812 1199675623 /nfs/dbraw/zinc/67/56/23/1199675623.db2.gz FIIZTINEHDIQIV-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132409812 1199675626 /nfs/dbraw/zinc/67/56/26/1199675626.db2.gz FIIZTINEHDIQIV-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001132409812 1199675632 /nfs/dbraw/zinc/67/56/32/1199675632.db2.gz FIIZTINEHDIQIV-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001132409812 1199675637 /nfs/dbraw/zinc/67/56/37/1199675637.db2.gz FIIZTINEHDIQIV-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132410291 1199677491 /nfs/dbraw/zinc/67/74/91/1199677491.db2.gz LEZNCKVXAVZMAL-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132410291 1199677493 /nfs/dbraw/zinc/67/74/93/1199677493.db2.gz LEZNCKVXAVZMAL-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132410291 1199677494 /nfs/dbraw/zinc/67/74/94/1199677494.db2.gz LEZNCKVXAVZMAL-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132410291 1199677496 /nfs/dbraw/zinc/67/74/96/1199677496.db2.gz LEZNCKVXAVZMAL-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001132737787 1199965542 /nfs/dbraw/zinc/96/55/42/1199965542.db2.gz QBIAYKSUNFMFTC-INIZCTEOSA-N 2 1 346.450 2.025 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887757 1200154376 /nfs/dbraw/zinc/15/43/76/1200154376.db2.gz HUWGTQIVSBZGRT-DZGCQCFKSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941870 1200218065 /nfs/dbraw/zinc/21/80/65/1200218065.db2.gz RNFOEFNRMMKJIL-DLBZAZTESA-N 2 1 333.520 2.347 20 30 EEEDMP C#Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001276096971 1205779777 /nfs/dbraw/zinc/77/97/77/1205779777.db2.gz PQZPFYSTTAEOEG-OYRHEFFESA-N 2 1 325.500 2.373 20 30 EEEDMP C#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001276096971 1205779778 /nfs/dbraw/zinc/77/97/78/1205779778.db2.gz PQZPFYSTTAEOEG-OYRHEFFESA-N 2 1 325.500 2.373 20 30 EEEDMP C#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001276096971 1205779779 /nfs/dbraw/zinc/77/97/79/1205779779.db2.gz PQZPFYSTTAEOEG-OYRHEFFESA-N 2 1 325.500 2.373 20 30 EEEDMP C#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1 ZINC001276096971 1205779781 /nfs/dbraw/zinc/77/97/81/1205779781.db2.gz PQZPFYSTTAEOEG-OYRHEFFESA-N 2 1 325.500 2.373 20 30 EEEDMP C#Cc1cccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1 ZINC001276096971 1205779782 /nfs/dbraw/zinc/77/97/82/1205779782.db2.gz PQZPFYSTTAEOEG-OYRHEFFESA-N 2 1 325.500 2.373 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CCO2 ZINC000949248160 1209592983 /nfs/dbraw/zinc/59/29/83/1209592983.db2.gz NVWQLLYAAVEEBM-HDICACEKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000949473298 1209704664 /nfs/dbraw/zinc/70/46/64/1209704664.db2.gz ZJHSXXKKDZAGLV-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000949473298 1209704665 /nfs/dbraw/zinc/70/46/65/1209704665.db2.gz ZJHSXXKKDZAGLV-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000949473298 1209704668 /nfs/dbraw/zinc/70/46/68/1209704668.db2.gz ZJHSXXKKDZAGLV-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000962730971 1216027744 /nfs/dbraw/zinc/02/77/44/1216027744.db2.gz RATMPJDUQKZNMS-BWTSREIZSA-N 2 1 327.472 2.374 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961220271 1217094978 /nfs/dbraw/zinc/09/49/78/1217094978.db2.gz KICZACFPSBFTFO-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961373258 1217162496 /nfs/dbraw/zinc/16/24/96/1217162496.db2.gz NBQJIBKCJFNDJX-BHIYHBOVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961373258 1217162497 /nfs/dbraw/zinc/16/24/97/1217162497.db2.gz NBQJIBKCJFNDJX-BHIYHBOVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961373258 1217162498 /nfs/dbraw/zinc/16/24/98/1217162498.db2.gz NBQJIBKCJFNDJX-BHIYHBOVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961440142 1217190990 /nfs/dbraw/zinc/19/09/90/1217190990.db2.gz JYTQYOUTYXFJKR-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961440142 1217190994 /nfs/dbraw/zinc/19/09/94/1217190994.db2.gz JYTQYOUTYXFJKR-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961440142 1217190997 /nfs/dbraw/zinc/19/09/97/1217190997.db2.gz JYTQYOUTYXFJKR-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000961788723 1217330047 /nfs/dbraw/zinc/33/00/47/1217330047.db2.gz LVJJVDIGQWLLAO-PIIMJCKOSA-N 2 1 347.890 2.203 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000961788723 1217330052 /nfs/dbraw/zinc/33/00/52/1217330052.db2.gz LVJJVDIGQWLLAO-PIIMJCKOSA-N 2 1 347.890 2.203 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358173 1217552515 /nfs/dbraw/zinc/55/25/15/1217552515.db2.gz OUQZDDPLYXEOAB-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963365776 1217561999 /nfs/dbraw/zinc/56/19/99/1217561999.db2.gz HTGFZODFLKNJHS-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401593 1220482785 /nfs/dbraw/zinc/48/27/85/1220482785.db2.gz DRWRWAGYQQMNOZ-RDJZCZTQSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401593 1220482787 /nfs/dbraw/zinc/48/27/87/1220482787.db2.gz DRWRWAGYQQMNOZ-RDJZCZTQSA-N 2 1 330.476 2.165 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCC3)CC[C@H]2C)CC1 ZINC000968681957 1221487746 /nfs/dbraw/zinc/48/77/46/1221487746.db2.gz NMWGGQOFNKPXJL-YLJYHZDGSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000968887280 1221646345 /nfs/dbraw/zinc/64/63/45/1221646345.db2.gz AEAFFBYVQLVOGH-MOPGFXCFSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968887280 1221646347 /nfs/dbraw/zinc/64/63/47/1221646347.db2.gz AEAFFBYVQLVOGH-MOPGFXCFSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968887280 1221646350 /nfs/dbraw/zinc/64/63/50/1221646350.db2.gz AEAFFBYVQLVOGH-MOPGFXCFSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000968954917 1221699016 /nfs/dbraw/zinc/69/90/16/1221699016.db2.gz YCDBUPQBTLIWCL-AEFFLSMTSA-N 2 1 345.874 2.128 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000968954917 1221699019 /nfs/dbraw/zinc/69/90/19/1221699019.db2.gz YCDBUPQBTLIWCL-AEFFLSMTSA-N 2 1 345.874 2.128 20 30 EEEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000968998461 1221728580 /nfs/dbraw/zinc/72/85/80/1221728580.db2.gz WYWMWRSXNKZNHB-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000968998461 1221728586 /nfs/dbraw/zinc/72/85/86/1221728586.db2.gz WYWMWRSXNKZNHB-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000968998461 1221728592 /nfs/dbraw/zinc/72/85/92/1221728592.db2.gz WYWMWRSXNKZNHB-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618963 1227576719 /nfs/dbraw/zinc/57/67/19/1227576719.db2.gz WVUPBOYYZNAEQR-CEXWTWQISA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001017618963 1227576724 /nfs/dbraw/zinc/57/67/24/1227576724.db2.gz WVUPBOYYZNAEQR-CEXWTWQISA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017618963 1227576729 /nfs/dbraw/zinc/57/67/29/1227576729.db2.gz WVUPBOYYZNAEQR-CEXWTWQISA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017618963 1227576734 /nfs/dbraw/zinc/57/67/34/1227576734.db2.gz WVUPBOYYZNAEQR-CEXWTWQISA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001039133905 1230344992 /nfs/dbraw/zinc/34/49/92/1230344992.db2.gz LYHUVECGKOUEEC-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001039133905 1230344996 /nfs/dbraw/zinc/34/49/96/1230344996.db2.gz LYHUVECGKOUEEC-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC(=C)C)C2)CC1 ZINC001039133905 1230344999 /nfs/dbraw/zinc/34/49/99/1230344999.db2.gz LYHUVECGKOUEEC-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC(=C)C)C2)CC1 ZINC001039133905 1230345004 /nfs/dbraw/zinc/34/50/04/1230345004.db2.gz LYHUVECGKOUEEC-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153965 1230373416 /nfs/dbraw/zinc/37/34/16/1230373416.db2.gz LWXCKESWQBYBFW-RBUKOAKNSA-N 2 1 333.520 2.156 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230369 1230463313 /nfs/dbraw/zinc/46/33/13/1230463313.db2.gz QJPNECLMOIEGCA-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230369 1230463315 /nfs/dbraw/zinc/46/33/15/1230463315.db2.gz QJPNECLMOIEGCA-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474666 1230638262 /nfs/dbraw/zinc/63/82/62/1230638262.db2.gz UMJHORYMQNEMCO-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474666 1230638265 /nfs/dbraw/zinc/63/82/65/1230638265.db2.gz UMJHORYMQNEMCO-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040201256 1231098296 /nfs/dbraw/zinc/09/82/96/1231098296.db2.gz LSDYZCPEOFQCRO-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201256 1231098297 /nfs/dbraw/zinc/09/82/97/1231098297.db2.gz LSDYZCPEOFQCRO-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201256 1231098301 /nfs/dbraw/zinc/09/83/01/1231098301.db2.gz LSDYZCPEOFQCRO-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724493 1231662631 /nfs/dbraw/zinc/66/26/31/1231662631.db2.gz YZOJTNGNPMOIOD-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724493 1231662634 /nfs/dbraw/zinc/66/26/34/1231662634.db2.gz YZOJTNGNPMOIOD-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041726407 1231663737 /nfs/dbraw/zinc/66/37/37/1231663737.db2.gz YAWAXXSEEQVPPF-GOSISDBHSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041726407 1231663738 /nfs/dbraw/zinc/66/37/38/1231663738.db2.gz YAWAXXSEEQVPPF-GOSISDBHSA-N 2 1 339.911 2.395 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769469 1231684837 /nfs/dbraw/zinc/68/48/37/1231684837.db2.gz PWFRSSYVUXJWQJ-FQEVSTJZSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041776470 1231688803 /nfs/dbraw/zinc/68/88/03/1231688803.db2.gz BUBURGLUIANTHN-NRFANRHFSA-N 2 1 343.515 2.056 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042270772 1231995184 /nfs/dbraw/zinc/99/51/84/1231995184.db2.gz SECOOCYZJPVUSX-HKUYNNGSSA-N 2 1 327.472 2.471 20 30 EEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001043884127 1232614776 /nfs/dbraw/zinc/61/47/76/1232614776.db2.gz BELWVRJUDTYCNU-GOSISDBHSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001043884127 1232614780 /nfs/dbraw/zinc/61/47/80/1232614780.db2.gz BELWVRJUDTYCNU-GOSISDBHSA-N 2 1 325.472 2.308 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1ncc[nH]1)C2 ZINC001045935653 1234187857 /nfs/dbraw/zinc/18/78/57/1234187857.db2.gz PQGPRIWAQQCCSJ-IBGZPJMESA-N 2 1 328.460 2.070 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045937532 1234190670 /nfs/dbraw/zinc/19/06/70/1234190670.db2.gz FVTFUDXFXLQBPF-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048911137 1239233332 /nfs/dbraw/zinc/23/33/32/1239233332.db2.gz WFYPMDSARKCHPY-CALCHBBNSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048911137 1239233342 /nfs/dbraw/zinc/23/33/42/1239233342.db2.gz WFYPMDSARKCHPY-CALCHBBNSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048911137 1239233351 /nfs/dbraw/zinc/23/33/51/1239233351.db2.gz WFYPMDSARKCHPY-CALCHBBNSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC001000152230 1240002579 /nfs/dbraw/zinc/00/25/79/1240002579.db2.gz BCDDZTBTILZRSA-SJLPKXTDSA-N 2 1 331.504 2.408 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001000194173 1240050268 /nfs/dbraw/zinc/05/02/68/1240050268.db2.gz UVZZZYODNCVDOO-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165116 1240162073 /nfs/dbraw/zinc/16/20/73/1240162073.db2.gz HOHWWBZWKYFQGF-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165116 1240162077 /nfs/dbraw/zinc/16/20/77/1240162077.db2.gz HOHWWBZWKYFQGF-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165116 1240162083 /nfs/dbraw/zinc/16/20/83/1240162083.db2.gz HOHWWBZWKYFQGF-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762219 1242118819 /nfs/dbraw/zinc/11/88/19/1242118819.db2.gz OKUISAWCQJHHMG-SJORKVTESA-N 2 1 328.460 2.095 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762219 1242118824 /nfs/dbraw/zinc/11/88/24/1242118824.db2.gz OKUISAWCQJHHMG-SJORKVTESA-N 2 1 328.460 2.095 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049791092 1242195012 /nfs/dbraw/zinc/19/50/12/1242195012.db2.gz PQRLKMJNOVMJET-WOJBJXKFSA-N 2 1 339.483 2.450 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050523497 1243778590 /nfs/dbraw/zinc/77/85/90/1243778590.db2.gz FIYBXBNUHVGCBM-HUUCEWRRSA-N 2 1 325.884 2.004 20 30 EEEDMP C=CC[N@H+]1CCc2c(CNC(=O)C34CCC[NH+]3CCC4)cccc2C1 ZINC001051292081 1245489142 /nfs/dbraw/zinc/48/91/42/1245489142.db2.gz KRYBLMGJHUAHBP-UHFFFAOYSA-N 2 1 339.483 2.475 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053052236 1245776509 /nfs/dbraw/zinc/77/65/09/1245776509.db2.gz STEBUPATQVTGBL-MOPGFXCFSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001101550705 1245955824 /nfs/dbraw/zinc/95/58/24/1245955824.db2.gz WBBGCXSIWJNGMS-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054141592 1247505464 /nfs/dbraw/zinc/50/54/64/1247505464.db2.gz MPANBHZNFYJVEW-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141592 1247505471 /nfs/dbraw/zinc/50/54/71/1247505471.db2.gz MPANBHZNFYJVEW-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141592 1247505484 /nfs/dbraw/zinc/50/54/84/1247505484.db2.gz MPANBHZNFYJVEW-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC(=C)C)C2)C1 ZINC001054146516 1247521855 /nfs/dbraw/zinc/52/18/55/1247521855.db2.gz FTGMJZVHXZNXBB-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC(=C)C)C2)C1 ZINC001054146516 1247521862 /nfs/dbraw/zinc/52/18/62/1247521862.db2.gz FTGMJZVHXZNXBB-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(=C)C)C2)C1 ZINC001054146516 1247521871 /nfs/dbraw/zinc/52/18/71/1247521871.db2.gz FTGMJZVHXZNXBB-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(=C)C)C2)C1 ZINC001054146516 1247521880 /nfs/dbraw/zinc/52/18/80/1247521880.db2.gz FTGMJZVHXZNXBB-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001074878450 1257186577 /nfs/dbraw/zinc/18/65/77/1257186577.db2.gz WCXPZEQQWIZZSY-KEYYUXOJSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098960012 1257876260 /nfs/dbraw/zinc/87/62/60/1257876260.db2.gz QBVMSNAFSJRUFR-BJLQDIEVSA-N 2 1 331.504 2.408 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099257504 1258043364 /nfs/dbraw/zinc/04/33/64/1258043364.db2.gz GFODJDBVAUGPPG-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099519451 1258188034 /nfs/dbraw/zinc/18/80/34/1258188034.db2.gz HXPFNUZRZNCCAP-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP Cc1cnc2cc(C(=O)NC[C@@H](C)NCc3ccccc3C#N)ccn12 ZINC001491456031 1259098954 /nfs/dbraw/zinc/09/89/54/1259098954.db2.gz LEZZLTZECQFAKW-CQSZACIVSA-N 2 1 347.422 2.423 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001197705610 1284763648 /nfs/dbraw/zinc/76/36/48/1284763648.db2.gz BCSNMPCUDPNFJZ-UHFFFAOYSA-N 2 1 346.450 2.073 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197723341 1284776689 /nfs/dbraw/zinc/77/66/89/1284776689.db2.gz GJJZVCYUTAPHRG-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743087 1285316095 /nfs/dbraw/zinc/31/60/95/1285316095.db2.gz UOGODQVMFVTXRX-JFIYKMOQSA-N 2 1 345.487 2.358 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCCO1 ZINC001201849639 1289787270 /nfs/dbraw/zinc/78/72/70/1289787270.db2.gz XPAGRZQVAPTTAG-MOPGFXCFSA-N 2 1 345.487 2.073 20 30 EEEDMP C#CCCOC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000859054013 1294305707 /nfs/dbraw/zinc/30/57/07/1294305707.db2.gz INZWRNAKSBQZTF-UHFFFAOYSA-N 2 1 335.492 2.274 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001071693468 1294746510 /nfs/dbraw/zinc/74/65/10/1294746510.db2.gz RDTDKNIOYKRGRS-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001071693468 1294746517 /nfs/dbraw/zinc/74/65/17/1294746517.db2.gz RDTDKNIOYKRGRS-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](C/C=C\Cl)C2)CC1 ZINC001072094769 1295234648 /nfs/dbraw/zinc/23/46/48/1295234648.db2.gz CBNYLEIBSQTYIZ-BGJJHJCKSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](C/C=C\Cl)C2)CC1 ZINC001072094769 1295234659 /nfs/dbraw/zinc/23/46/59/1295234659.db2.gz CBNYLEIBSQTYIZ-BGJJHJCKSA-N 2 1 337.895 2.053 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219471 1295940710 /nfs/dbraw/zinc/94/07/10/1295940710.db2.gz UOWKSNZILMJDDR-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219471 1295940712 /nfs/dbraw/zinc/94/07/12/1295940712.db2.gz UOWKSNZILMJDDR-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219471 1295940718 /nfs/dbraw/zinc/94/07/18/1295940718.db2.gz UOWKSNZILMJDDR-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001213441679 1296033180 /nfs/dbraw/zinc/03/31/80/1296033180.db2.gz CWAPATRNTLNNOL-RCCFBDPRSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001213441679 1296033189 /nfs/dbraw/zinc/03/31/89/1296033189.db2.gz CWAPATRNTLNNOL-RCCFBDPRSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001213441679 1296033196 /nfs/dbraw/zinc/03/31/96/1296033196.db2.gz CWAPATRNTLNNOL-RCCFBDPRSA-N 2 1 339.524 2.114 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868041 1296201985 /nfs/dbraw/zinc/20/19/85/1296201985.db2.gz HXMOPXVMJVLIKR-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214850444 1296619487 /nfs/dbraw/zinc/61/94/87/1296619487.db2.gz WRTWPOBDCMJKEY-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215558432 1296941274 /nfs/dbraw/zinc/94/12/74/1296941274.db2.gz SHUZSMZWDHBFBY-IEBWSBKVSA-N 2 1 329.488 2.174 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001099173445 1298952406 /nfs/dbraw/zinc/95/24/06/1298952406.db2.gz WAIRIMHTXAFSAP-FPOVZHCZSA-N 2 1 339.483 2.356 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001221616525 1298963238 /nfs/dbraw/zinc/96/32/38/1298963238.db2.gz OEZHKKKUUOEMRT-BRWVUGGUSA-N 2 1 328.460 2.259 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001221616525 1298963243 /nfs/dbraw/zinc/96/32/43/1298963243.db2.gz OEZHKKKUUOEMRT-BRWVUGGUSA-N 2 1 328.460 2.259 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601802 1301274498 /nfs/dbraw/zinc/27/44/98/1301274498.db2.gz QFSZAALAVHAVHX-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C[NH+](C)C1(C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)CCC1 ZINC001227806855 1301971274 /nfs/dbraw/zinc/97/12/74/1301971274.db2.gz GYSZAGPZNNUJRK-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174609 1302386693 /nfs/dbraw/zinc/38/66/93/1302386693.db2.gz UPPHOLWYKFRNKV-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174609 1302386705 /nfs/dbraw/zinc/38/67/05/1302386705.db2.gz UPPHOLWYKFRNKV-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174609 1302386715 /nfs/dbraw/zinc/38/67/15/1302386715.db2.gz UPPHOLWYKFRNKV-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001229678250 1302912773 /nfs/dbraw/zinc/91/27/73/1302912773.db2.gz AFMPSLBCRJWDEC-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[N@H+](C)CCC(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001230101464 1303058351 /nfs/dbraw/zinc/05/83/51/1303058351.db2.gz OAEDUVHRXCHXGB-UHFFFAOYSA-N 2 1 341.499 2.351 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001230101464 1303058355 /nfs/dbraw/zinc/05/83/55/1303058355.db2.gz OAEDUVHRXCHXGB-UHFFFAOYSA-N 2 1 341.499 2.351 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591672 1303299350 /nfs/dbraw/zinc/29/93/50/1303299350.db2.gz GHYDUPZXPCWVNQ-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230717186 1303411650 /nfs/dbraw/zinc/41/16/50/1303411650.db2.gz SYJNNURYVNYDBI-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230717186 1303411653 /nfs/dbraw/zinc/41/16/53/1303411653.db2.gz SYJNNURYVNYDBI-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230717186 1303411658 /nfs/dbraw/zinc/41/16/58/1303411658.db2.gz SYJNNURYVNYDBI-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846338 1303497094 /nfs/dbraw/zinc/49/70/94/1303497094.db2.gz GCNJIFYADJHAJB-MJGOQNOKSA-N 2 1 344.503 2.164 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846338 1303497096 /nfs/dbraw/zinc/49/70/96/1303497096.db2.gz GCNJIFYADJHAJB-MJGOQNOKSA-N 2 1 344.503 2.164 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846338 1303497103 /nfs/dbraw/zinc/49/71/03/1303497103.db2.gz GCNJIFYADJHAJB-MJGOQNOKSA-N 2 1 344.503 2.164 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001111754146 1303842299 /nfs/dbraw/zinc/84/22/99/1303842299.db2.gz OGSDHKAWHIIFHE-UWVAXJGDSA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001111754146 1303842305 /nfs/dbraw/zinc/84/23/05/1303842305.db2.gz OGSDHKAWHIIFHE-UWVAXJGDSA-N 2 1 342.487 2.391 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001111874181 1304037029 /nfs/dbraw/zinc/03/70/29/1304037029.db2.gz RCQLQZVMEINLTA-FPOVZHCZSA-N 2 1 341.499 2.318 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001111874181 1304037035 /nfs/dbraw/zinc/03/70/35/1304037035.db2.gz RCQLQZVMEINLTA-FPOVZHCZSA-N 2 1 341.499 2.318 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001111874181 1304037042 /nfs/dbraw/zinc/03/70/42/1304037042.db2.gz RCQLQZVMEINLTA-FPOVZHCZSA-N 2 1 341.499 2.318 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001111874181 1304037051 /nfs/dbraw/zinc/03/70/51/1304037051.db2.gz RCQLQZVMEINLTA-FPOVZHCZSA-N 2 1 341.499 2.318 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001111875944 1304039816 /nfs/dbraw/zinc/03/98/16/1304039816.db2.gz LTPPMJKSIBMTHI-BJLQDIEVSA-N 2 1 349.519 2.034 20 30 EEEDMP Cc1ccc(C#N)c(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3CC2CC[NH2+]CC2)c1 ZINC001277823970 1304673710 /nfs/dbraw/zinc/67/37/10/1304673710.db2.gz MGZAWCHZGNLIJK-FXAWDEMLSA-N 2 1 338.455 2.269 20 30 EEEDMP CC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277888619 1305021807 /nfs/dbraw/zinc/02/18/07/1305021807.db2.gz JXPLEKRYRDMXHG-HNNXBMFYSA-N 2 1 328.460 2.162 20 30 EEEDMP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001151412700 1316527602 /nfs/dbraw/zinc/52/76/02/1316527602.db2.gz KGCPKXUBPNXQAR-UHFFFAOYSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001154784879 1317310503 /nfs/dbraw/zinc/31/05/03/1317310503.db2.gz OCXKTTMQAXBDJT-MSOLQXFVSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154784879 1317310509 /nfs/dbraw/zinc/31/05/09/1317310509.db2.gz OCXKTTMQAXBDJT-MSOLQXFVSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154784879 1317310516 /nfs/dbraw/zinc/31/05/16/1317310516.db2.gz OCXKTTMQAXBDJT-MSOLQXFVSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001156051399 1317852811 /nfs/dbraw/zinc/85/28/11/1317852811.db2.gz JBFYFQCYFGXWKA-OAHLLOKOSA-N 2 1 327.432 2.284 20 30 EEEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001156051399 1317852821 /nfs/dbraw/zinc/85/28/21/1317852821.db2.gz JBFYFQCYFGXWKA-OAHLLOKOSA-N 2 1 327.432 2.284 20 30 EEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001156051399 1317852831 /nfs/dbraw/zinc/85/28/31/1317852831.db2.gz JBFYFQCYFGXWKA-OAHLLOKOSA-N 2 1 327.432 2.284 20 30 EEEDMP CC[C@@H](CC#N)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001255169844 1318309374 /nfs/dbraw/zinc/30/93/74/1318309374.db2.gz KMCIZHQAQAFBNM-RCCFBDPRSA-N 2 1 332.492 2.086 20 30 EEEDMP CC[C@@H](CC#N)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001255169844 1318309390 /nfs/dbraw/zinc/30/93/90/1318309390.db2.gz KMCIZHQAQAFBNM-RCCFBDPRSA-N 2 1 332.492 2.086 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001158405396 1319223488 /nfs/dbraw/zinc/22/34/88/1319223488.db2.gz ROECKQLJGYSCPA-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001158405396 1319223500 /nfs/dbraw/zinc/22/35/00/1319223500.db2.gz ROECKQLJGYSCPA-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001159328252 1319740578 /nfs/dbraw/zinc/74/05/78/1319740578.db2.gz RLEVJJWPDLOHJY-GOSISDBHSA-N 2 1 328.460 2.029 20 30 EEEDMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001159837184 1320001924 /nfs/dbraw/zinc/00/19/24/1320001924.db2.gz BGRIEAPDFOMFAS-HNNXBMFYSA-N 2 1 348.516 2.194 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001161248520 1320433175 /nfs/dbraw/zinc/43/31/75/1320433175.db2.gz AZMXNKLFWZCIFY-SFHVURJKSA-N 2 1 349.519 2.202 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CC(=C)C)CC2)CC1 ZINC001161946771 1320688517 /nfs/dbraw/zinc/68/85/17/1320688517.db2.gz CBKBKTWBPFMRQI-UHFFFAOYSA-N 2 1 329.488 2.046 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001206282578 1323446854 /nfs/dbraw/zinc/44/68/54/1323446854.db2.gz VTBZVVFFXRUOOT-KRWDZBQOSA-N 2 1 330.476 2.158 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206857845 1323634124 /nfs/dbraw/zinc/63/41/24/1323634124.db2.gz SVGQWQYYKQYIPQ-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049872 1324289000 /nfs/dbraw/zinc/28/90/00/1324289000.db2.gz RRVUELFWNIFHJL-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC001335396989 1336370883 /nfs/dbraw/zinc/37/08/83/1336370883.db2.gz BFHFLXFTLOEWAY-IBGZPJMESA-N 2 1 330.472 2.120 20 30 EEEDMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C#N ZINC001578875634 1344312399 /nfs/dbraw/zinc/31/23/99/1344312399.db2.gz SPWGCEPYZVJPJP-HUUCEWRRSA-N 2 1 327.428 2.166 20 30 EEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC001198775660 1368644212 /nfs/dbraw/zinc/64/42/12/1368644212.db2.gz JDHQVLAVTVENQY-DLBZAZTESA-N 2 1 331.460 2.112 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001101591986 1371019796 /nfs/dbraw/zinc/01/97/96/1371019796.db2.gz GVEVJNNBUHUIIP-NRFANRHFSA-N 2 1 345.531 2.350 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001366185178 1373825115 /nfs/dbraw/zinc/82/51/15/1373825115.db2.gz FKSBUUILGMCNIF-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001366185178 1373825117 /nfs/dbraw/zinc/82/51/17/1373825117.db2.gz FKSBUUILGMCNIF-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001366185178 1373825123 /nfs/dbraw/zinc/82/51/23/1373825123.db2.gz FKSBUUILGMCNIF-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001375493234 1377784485 /nfs/dbraw/zinc/78/44/85/1377784485.db2.gz JJLNMJJMVBVJGA-SJORKVTESA-N 2 1 347.890 2.323 20 30 EEEDMP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001381177929 1381547829 /nfs/dbraw/zinc/54/78/29/1381547829.db2.gz YJVOXNKHPHUCQD-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001752310590 1406273901 /nfs/dbraw/zinc/27/39/01/1406273901.db2.gz RFHJASCKNBXRRD-UHFFFAOYSA-N 2 1 341.499 2.301 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001752943647 1406569199 /nfs/dbraw/zinc/56/91/99/1406569199.db2.gz OHTOZIVHBJMKSC-CABCVRRESA-N 2 1 334.464 2.143 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001398677305 1394146717 /nfs/dbraw/zinc/14/67/17/1394146717.db2.gz DGUIJABQFWXRGJ-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCCC2)C1 ZINC001401189380 1397023539 /nfs/dbraw/zinc/02/35/39/1397023539.db2.gz RKPSPLFDIRZMDO-CQSZACIVSA-N 2 1 346.500 2.090 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001403235471 1398493706 /nfs/dbraw/zinc/49/37/06/1398493706.db2.gz CTCRCZNTGFPAOO-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001423305344 1400510850 /nfs/dbraw/zinc/51/08/50/1400510850.db2.gz FFUMEKFTKIYKKU-SFHVURJKSA-N 2 1 340.471 2.171 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001423581000 1400650357 /nfs/dbraw/zinc/65/03/57/1400650357.db2.gz XSPYTZMCPCNUJZ-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001423581000 1400650361 /nfs/dbraw/zinc/65/03/61/1400650361.db2.gz XSPYTZMCPCNUJZ-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP C#CC[C@]1(C(=O)N2CC[NH+]([C@@H](CC)c3ccccc3)CC2)CCC[NH2+]1 ZINC001574515897 1403521627 /nfs/dbraw/zinc/52/16/27/1403521627.db2.gz AVUMSFYNKAWBAI-PZJWPPBQSA-N 2 1 339.483 2.427 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121234330 1410217761 /nfs/dbraw/zinc/21/77/61/1410217761.db2.gz YHBQWMXRNLENAM-WZXTXQKWSA-N 2 1 331.504 2.290 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121232576 1410218116 /nfs/dbraw/zinc/21/81/16/1410218116.db2.gz FZQXIQGDSOAWNE-QAELIBMJSA-N 2 1 331.504 2.290 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001121866737 1410248333 /nfs/dbraw/zinc/24/83/33/1410248333.db2.gz FBZMONMIBRLQQW-UHFFFAOYSA-N 2 1 342.487 2.437 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461267 760927560 /nfs/dbraw/zinc/92/75/60/760927560.db2.gz ARWXNUXVGGYBAM-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461267 760927565 /nfs/dbraw/zinc/92/75/65/760927565.db2.gz ARWXNUXVGGYBAM-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461267 760927569 /nfs/dbraw/zinc/92/75/69/760927569.db2.gz ARWXNUXVGGYBAM-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167711038 764585755 /nfs/dbraw/zinc/58/57/55/764585755.db2.gz OQTBSTCQZSTSCL-GOSISDBHSA-N 2 1 327.472 2.189 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC(C)(C)C1 ZINC001089413483 768890860 /nfs/dbraw/zinc/89/08/60/768890860.db2.gz XKUSURSGCGWMIY-BZUAXINKSA-N 2 1 328.460 2.143 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC(C)(C)C1 ZINC001089413483 768890869 /nfs/dbraw/zinc/89/08/69/768890869.db2.gz XKUSURSGCGWMIY-BZUAXINKSA-N 2 1 328.460 2.143 20 30 EEEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087423231 770082938 /nfs/dbraw/zinc/08/29/38/770082938.db2.gz PVMGIYBHARXVGX-AQNXPRMDSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087423231 770082950 /nfs/dbraw/zinc/08/29/50/770082950.db2.gz PVMGIYBHARXVGX-AQNXPRMDSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087423231 770082957 /nfs/dbraw/zinc/08/29/57/770082957.db2.gz PVMGIYBHARXVGX-AQNXPRMDSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC000980181573 774015734 /nfs/dbraw/zinc/01/57/34/774015734.db2.gz FAYMQCJHRIXKFS-UFYCRDLUSA-N 2 1 339.483 2.212 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000981456539 777444503 /nfs/dbraw/zinc/44/45/03/777444503.db2.gz CLBGFHUQQPOFOV-KRWDZBQOSA-N 2 1 346.500 2.138 20 30 EEEDMP CN1CCCC[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000981456539 777444505 /nfs/dbraw/zinc/44/45/05/777444505.db2.gz CLBGFHUQQPOFOV-KRWDZBQOSA-N 2 1 346.500 2.138 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982400741 780012017 /nfs/dbraw/zinc/01/20/17/780012017.db2.gz IQZNZSRWZRXOAX-NRSPTQNISA-N 2 1 343.515 2.055 20 30 EEEDMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087443625 780278612 /nfs/dbraw/zinc/27/86/12/780278612.db2.gz WPRWKTRZFYXVMM-VAMGGRTRSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087443625 780278619 /nfs/dbraw/zinc/27/86/19/780278619.db2.gz WPRWKTRZFYXVMM-VAMGGRTRSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087443625 780278628 /nfs/dbraw/zinc/27/86/28/780278628.db2.gz WPRWKTRZFYXVMM-VAMGGRTRSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394295 781783254 /nfs/dbraw/zinc/78/32/54/781783254.db2.gz SRKNKHKKXTXRGF-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184409 784020122 /nfs/dbraw/zinc/02/01/22/784020122.db2.gz JPXFZIJMMSONFK-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184409 784020123 /nfs/dbraw/zinc/02/01/23/784020123.db2.gz JPXFZIJMMSONFK-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035184409 784020128 /nfs/dbraw/zinc/02/01/28/784020128.db2.gz JPXFZIJMMSONFK-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185453 784023290 /nfs/dbraw/zinc/02/32/90/784023290.db2.gz WGXHDPZGDUHUIR-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035185453 784023291 /nfs/dbraw/zinc/02/32/91/784023291.db2.gz WGXHDPZGDUHUIR-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035185453 784023293 /nfs/dbraw/zinc/02/32/93/784023293.db2.gz WGXHDPZGDUHUIR-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035243954 784174610 /nfs/dbraw/zinc/17/46/10/784174610.db2.gz FMZHYLCURZZJPC-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135680601 784227576 /nfs/dbraw/zinc/22/75/76/784227576.db2.gz XYMPHZIROLIMMX-JKSUJKDBSA-N 2 1 345.915 2.114 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135882296 784666750 /nfs/dbraw/zinc/66/67/50/784666750.db2.gz KHPYJBOSJGMGBZ-CVEARBPZSA-N 2 1 330.476 2.273 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947853925 789110027 /nfs/dbraw/zinc/11/00/27/789110027.db2.gz XZFJZBOPJPNZNV-JKSUJKDBSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947853922 789110061 /nfs/dbraw/zinc/11/00/61/789110061.db2.gz XZFJZBOPJPNZNV-CVEARBPZSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947853922 789110069 /nfs/dbraw/zinc/11/00/69/789110069.db2.gz XZFJZBOPJPNZNV-CVEARBPZSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CCCC2)CC1 ZINC000997150169 789172669 /nfs/dbraw/zinc/17/26/69/789172669.db2.gz VXLBASRWUMFATE-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CCCC2)CC1 ZINC000997150169 789172673 /nfs/dbraw/zinc/17/26/73/789172673.db2.gz VXLBASRWUMFATE-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c(OC)c1 ZINC000923370450 789447202 /nfs/dbraw/zinc/44/72/02/789447202.db2.gz OUYXWIKGYGZXGY-DKYLXPRQSA-N 2 1 348.487 2.140 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001146593166 791363426 /nfs/dbraw/zinc/36/34/26/791363426.db2.gz OHKUUJCKXLMDDT-CABCVRRESA-N 2 1 348.466 2.410 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@]2(C)C1 ZINC001091715509 792382830 /nfs/dbraw/zinc/38/28/30/792382830.db2.gz AHYPOLWLCUQAKH-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091715509 792382841 /nfs/dbraw/zinc/38/28/41/792382841.db2.gz AHYPOLWLCUQAKH-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091715509 792382852 /nfs/dbraw/zinc/38/28/52/792382852.db2.gz AHYPOLWLCUQAKH-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091715509 792382861 /nfs/dbraw/zinc/38/28/61/792382861.db2.gz AHYPOLWLCUQAKH-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C(F)(F)F ZINC000998298821 792503536 /nfs/dbraw/zinc/50/35/36/792503536.db2.gz YYRZJNUIUYBEMZ-KBPBESRZSA-N 2 1 347.425 2.273 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001148611753 792559824 /nfs/dbraw/zinc/55/98/24/792559824.db2.gz MDQBETLEADEQPN-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611753 792559828 /nfs/dbraw/zinc/55/98/28/792559828.db2.gz MDQBETLEADEQPN-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611753 792559832 /nfs/dbraw/zinc/55/98/32/792559832.db2.gz MDQBETLEADEQPN-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC000992149256 792927478 /nfs/dbraw/zinc/92/74/78/792927478.db2.gz NBLPUEUZZGHMNG-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992149256 792927483 /nfs/dbraw/zinc/92/74/83/792927483.db2.gz NBLPUEUZZGHMNG-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992149256 792927488 /nfs/dbraw/zinc/92/74/88/792927488.db2.gz NBLPUEUZZGHMNG-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927928 793051281 /nfs/dbraw/zinc/05/12/81/793051281.db2.gz QQSTVHSGNRBVRM-ZWKOTPCHSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)CC1 ZINC001086954945 793094749 /nfs/dbraw/zinc/09/47/49/793094749.db2.gz ZCXMEMNBZQVGQJ-PXNSSMCTSA-N 2 1 331.504 2.361 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071314 793534081 /nfs/dbraw/zinc/53/40/81/793534081.db2.gz QDAQJQBCNFNHRU-HBFSDRIKSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071314 793534088 /nfs/dbraw/zinc/53/40/88/793534088.db2.gz QDAQJQBCNFNHRU-HBFSDRIKSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071314 793534095 /nfs/dbraw/zinc/53/40/95/793534095.db2.gz QDAQJQBCNFNHRU-HBFSDRIKSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109968342 806296332 /nfs/dbraw/zinc/29/63/32/806296332.db2.gz BBDJLMQAFHFFKL-XWSJACJDSA-N 2 1 325.456 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000999401569 794411466 /nfs/dbraw/zinc/41/14/66/794411466.db2.gz YWRHOTZFCBLUOG-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000999401569 794411470 /nfs/dbraw/zinc/41/14/70/794411470.db2.gz YWRHOTZFCBLUOG-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](C[C@H](F)CC)CC3)CC1 ZINC000992502965 794429324 /nfs/dbraw/zinc/42/93/24/794429324.db2.gz CNMLBEYQDJJECG-GGPKGHCWSA-N 2 1 349.494 2.193 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107993809 795241567 /nfs/dbraw/zinc/24/15/67/795241567.db2.gz YVDGEDIKQAGXSC-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107993809 795241571 /nfs/dbraw/zinc/24/15/71/795241571.db2.gz YVDGEDIKQAGXSC-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107993809 795241577 /nfs/dbraw/zinc/24/15/77/795241577.db2.gz YVDGEDIKQAGXSC-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107993809 795241586 /nfs/dbraw/zinc/24/15/86/795241586.db2.gz YVDGEDIKQAGXSC-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H](OC)C1 ZINC001212425838 795244622 /nfs/dbraw/zinc/24/46/22/795244622.db2.gz HAFYMOHZIVBOGH-JOCBIADPSA-N 2 1 346.475 2.075 20 30 EEEDMP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001080099259 795594629 /nfs/dbraw/zinc/59/46/29/795594629.db2.gz BDQWGVPVPPYXGC-MLGOLLRUSA-N 2 1 345.834 2.070 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094497086 796289425 /nfs/dbraw/zinc/28/94/25/796289425.db2.gz NYUAIOVCUURPKA-SFHLNBCPSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497086 796289427 /nfs/dbraw/zinc/28/94/27/796289427.db2.gz NYUAIOVCUURPKA-SFHLNBCPSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497086 796289431 /nfs/dbraw/zinc/28/94/31/796289431.db2.gz NYUAIOVCUURPKA-SFHLNBCPSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC001094498075 796291443 /nfs/dbraw/zinc/29/14/43/796291443.db2.gz WYCAFBHAWKGZSD-ILZDJORESA-N 2 1 342.487 2.301 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC001094498075 796291447 /nfs/dbraw/zinc/29/14/47/796291447.db2.gz WYCAFBHAWKGZSD-ILZDJORESA-N 2 1 342.487 2.301 20 30 EEEDMP C[C@H](CCCC#N)[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001172498938 797009839 /nfs/dbraw/zinc/00/98/39/797009839.db2.gz PKTRKQUMMLQFOE-MRXNPFEDSA-N 2 1 333.480 2.249 20 30 EEEDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172969457 797175074 /nfs/dbraw/zinc/17/50/74/797175074.db2.gz WAZQFVXNRAZJAS-PMPSAXMXSA-N 2 1 336.480 2.209 20 30 EEEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001001756669 797175328 /nfs/dbraw/zinc/17/53/28/797175328.db2.gz HTSJSIKEAXFZLK-LJQANCHMSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272060 798064369 /nfs/dbraw/zinc/06/43/69/798064369.db2.gz GUQFZCGUYQFZKD-DOTOQJQBSA-N 2 1 330.476 2.042 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958381 798578070 /nfs/dbraw/zinc/57/80/70/798578070.db2.gz XHRRYJHOKCQPJK-IKGGRYGDSA-N 2 1 328.460 2.259 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958381 798578072 /nfs/dbraw/zinc/57/80/72/798578072.db2.gz XHRRYJHOKCQPJK-IKGGRYGDSA-N 2 1 328.460 2.259 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001177151941 798777336 /nfs/dbraw/zinc/77/73/36/798777336.db2.gz WZGPXTAJSQYWNA-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001177151941 798777339 /nfs/dbraw/zinc/77/73/39/798777339.db2.gz WZGPXTAJSQYWNA-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001177415765 798934245 /nfs/dbraw/zinc/93/42/45/798934245.db2.gz KSHFKRZGGLPHPD-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001179592589 799999309 /nfs/dbraw/zinc/99/93/09/799999309.db2.gz IQSLEKOIMMVEDO-UHFFFAOYSA-N 2 1 341.540 2.433 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001180259744 800335999 /nfs/dbraw/zinc/33/59/99/800335999.db2.gz KWLLWJYNPGPGQI-LJQANCHMSA-N 2 1 342.487 2.276 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598566 800865929 /nfs/dbraw/zinc/86/59/29/800865929.db2.gz WFTWBPVSYIEPCQ-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598566 800865937 /nfs/dbraw/zinc/86/59/37/800865937.db2.gz WFTWBPVSYIEPCQ-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598566 800865943 /nfs/dbraw/zinc/86/59/43/800865943.db2.gz WFTWBPVSYIEPCQ-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598566 800865949 /nfs/dbraw/zinc/86/59/49/800865949.db2.gz WFTWBPVSYIEPCQ-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598098 800866291 /nfs/dbraw/zinc/86/62/91/800866291.db2.gz MXGWXJNXVGJUQW-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598098 800866295 /nfs/dbraw/zinc/86/62/95/800866295.db2.gz MXGWXJNXVGJUQW-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598098 800866302 /nfs/dbraw/zinc/86/63/02/800866302.db2.gz MXGWXJNXVGJUQW-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001182472915 801207011 /nfs/dbraw/zinc/20/70/11/801207011.db2.gz KZXGRYOSDMINEY-UXHICEINSA-N 2 1 339.483 2.101 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816828 801360864 /nfs/dbraw/zinc/36/08/64/801360864.db2.gz HHDWILMSGJHMFB-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816828 801360873 /nfs/dbraw/zinc/36/08/73/801360873.db2.gz HHDWILMSGJHMFB-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001183575403 801655416 /nfs/dbraw/zinc/65/54/16/801655416.db2.gz SNHZHCDVSXXQRF-YLJYHZDGSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001183575403 801655420 /nfs/dbraw/zinc/65/54/20/801655420.db2.gz SNHZHCDVSXXQRF-YLJYHZDGSA-N 2 1 329.488 2.379 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004455768 802114258 /nfs/dbraw/zinc/11/42/58/802114258.db2.gz ASTIIHBIMIACIX-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004595023 802447668 /nfs/dbraw/zinc/44/76/68/802447668.db2.gz DZOSKDYUFKTZSF-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595023 802447670 /nfs/dbraw/zinc/44/76/70/802447670.db2.gz DZOSKDYUFKTZSF-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595023 802447672 /nfs/dbraw/zinc/44/76/72/802447672.db2.gz DZOSKDYUFKTZSF-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001004598839 802457006 /nfs/dbraw/zinc/45/70/06/802457006.db2.gz XSCASZGKYNYLJS-GOSISDBHSA-N 2 1 340.471 2.097 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657807 802679668 /nfs/dbraw/zinc/67/96/68/802679668.db2.gz SMKKIHFZERMJNO-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657807 802679671 /nfs/dbraw/zinc/67/96/71/802679671.db2.gz SMKKIHFZERMJNO-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657807 802679675 /nfs/dbraw/zinc/67/96/75/802679675.db2.gz SMKKIHFZERMJNO-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001108404703 803472439 /nfs/dbraw/zinc/47/24/39/803472439.db2.gz HXXLRTJGYJSMRY-LJQANCHMSA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001108404703 803472442 /nfs/dbraw/zinc/47/24/42/803472442.db2.gz HXXLRTJGYJSMRY-LJQANCHMSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419241 803509919 /nfs/dbraw/zinc/50/99/19/803509919.db2.gz FTZYALHODAUAHH-IBGZPJMESA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169095978 803607855 /nfs/dbraw/zinc/60/78/55/803607855.db2.gz TVZVGOFPVHJLRY-XLAORIBOSA-N 2 1 327.472 2.106 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797659 804053179 /nfs/dbraw/zinc/05/31/79/804053179.db2.gz IDSJYULDCJAGAG-VQIMIIECSA-N 2 1 342.487 2.417 20 30 EEEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001109445857 805478552 /nfs/dbraw/zinc/47/85/52/805478552.db2.gz BDJJZVQPMLOIAS-HCXYKTFWSA-N 2 1 340.471 2.120 20 30 EEEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001109445857 805478557 /nfs/dbraw/zinc/47/85/57/805478557.db2.gz BDJJZVQPMLOIAS-HCXYKTFWSA-N 2 1 340.471 2.120 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@@H](C)O2 ZINC001131701516 813133342 /nfs/dbraw/zinc/13/33/42/813133342.db2.gz WKMSKBUGPRIXIZ-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608323 1199699595 /nfs/dbraw/zinc/69/95/95/1199699595.db2.gz UOUSCSYOTBGWCP-CHWSQXEVSA-N 2 1 346.313 2.252 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(F)c(C#N)c1)NC(=O)C[NH+](C)C1CCC1 ZINC001439333883 1092023641 /nfs/dbraw/zinc/02/36/41/1092023641.db2.gz UCONJDVNRXEJAX-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](C[NH+](C)Cc1ccc(F)c(C#N)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001439333883 1092023650 /nfs/dbraw/zinc/02/36/50/1092023650.db2.gz UCONJDVNRXEJAX-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](C[NH+](C)Cc1ccc(F)c(C#N)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001439333883 1092023659 /nfs/dbraw/zinc/02/36/59/1092023659.db2.gz UCONJDVNRXEJAX-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001442803887 1097185891 /nfs/dbraw/zinc/18/58/91/1097185891.db2.gz XVHICLNIQKNMDT-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001442803887 1097185892 /nfs/dbraw/zinc/18/58/92/1097185892.db2.gz XVHICLNIQKNMDT-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001480168748 1099745353 /nfs/dbraw/zinc/74/53/53/1099745353.db2.gz WWHKEGPKHBPTGW-QAQDUYKDSA-N 2 1 346.450 2.166 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC001445105367 1100328694 /nfs/dbraw/zinc/32/86/94/1100328694.db2.gz GDNVDVDDTNHPDW-KBPBESRZSA-N 2 1 346.313 2.111 20 30 EEEDMP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1C#N ZINC001493150980 1107600618 /nfs/dbraw/zinc/60/06/18/1107600618.db2.gz HUZRQMYURUKXTB-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1C#N ZINC001493150980 1107600619 /nfs/dbraw/zinc/60/06/19/1107600619.db2.gz HUZRQMYURUKXTB-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001493150980 1107600623 /nfs/dbraw/zinc/60/06/23/1107600623.db2.gz HUZRQMYURUKXTB-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001493150980 1107600627 /nfs/dbraw/zinc/60/06/27/1107600627.db2.gz HUZRQMYURUKXTB-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001508145460 1115427143 /nfs/dbraw/zinc/42/71/43/1115427143.db2.gz BHCVLQPOOBDOMY-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000537046913 318012996 /nfs/dbraw/zinc/01/29/96/318012996.db2.gz RPZJMRIVSBVTQP-SFHVURJKSA-N 2 1 330.451 2.298 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000537046913 318012998 /nfs/dbraw/zinc/01/29/98/318012998.db2.gz RPZJMRIVSBVTQP-SFHVURJKSA-N 2 1 330.451 2.298 20 30 EEEDMP C[C@H](C(=O)N(C)CCC#N)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977444 464342568 /nfs/dbraw/zinc/34/25/68/464342568.db2.gz BLVSUVFHQPGEPR-MJGOQNOKSA-N 2 1 342.487 2.201 20 30 EEEDMP C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000337177222 465229695 /nfs/dbraw/zinc/22/96/95/465229695.db2.gz JHMOVFIWZGARKD-RBUKOAKNSA-N 2 1 348.535 2.045 20 30 EEEDMP Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000297020028 465243692 /nfs/dbraw/zinc/24/36/92/465243692.db2.gz QJDYHXFMYTWMNM-UHFFFAOYSA-N 2 1 328.420 2.342 20 30 EEEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000329276525 465286630 /nfs/dbraw/zinc/28/66/30/465286630.db2.gz LFQMVEMXWBSCDX-WBVHZDCISA-N 2 1 333.480 2.302 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N(C)Cc1cc(Cl)cn1C ZINC000158778267 463251045 /nfs/dbraw/zinc/25/10/45/463251045.db2.gz XWFLCRDGWLIZQH-ZDUSSCGKSA-N 2 1 337.899 2.170 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000081984032 463510893 /nfs/dbraw/zinc/51/08/93/463510893.db2.gz XQWNSXLXGMAGRU-HOCLYGCPSA-N 2 1 338.521 2.462 20 30 EEEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1C#N ZINC000268982949 463835359 /nfs/dbraw/zinc/83/53/59/463835359.db2.gz RPCCTTBLRQRBKP-QZTJIDSGSA-N 2 1 329.444 2.034 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1coc(-c2cccs2)n1 ZINC000264084305 464280976 /nfs/dbraw/zinc/28/09/76/464280976.db2.gz JDZAKOAPUIPPIY-CYBMUJFWSA-N 2 1 333.461 2.292 20 30 EEEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])N2CCOCC2)cc1 ZINC000264091405 464281974 /nfs/dbraw/zinc/28/19/74/464281974.db2.gz KXMBQLJLKLQXNU-INIZCTEOSA-N 2 1 330.476 2.208 20 30 EEEDMP O=C(N[C@@H]1CCn2ccnc2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000330243087 465583332 /nfs/dbraw/zinc/58/33/32/465583332.db2.gz CJXFJXAZKSKEIG-QGZVFWFLSA-N 2 1 345.491 2.310 20 30 EEEDMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1cccs1 ZINC000424138996 466988306 /nfs/dbraw/zinc/98/83/06/466988306.db2.gz DRDHGUREORMWRO-YCPHGPKFSA-N 2 1 334.489 2.268 20 30 EEEDMP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424179632 466998025 /nfs/dbraw/zinc/99/80/25/466998025.db2.gz ZEFLYLVZGLQEOA-RYQLBKOJSA-N 2 1 328.460 2.034 20 30 EEEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000566111342 468144141 /nfs/dbraw/zinc/14/41/41/468144141.db2.gz AWGXIHIHWVLJCG-MRXNPFEDSA-N 2 1 326.444 2.176 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(C)(C#N)CC3)CC2)CC1 ZINC000594338294 468555880 /nfs/dbraw/zinc/55/58/80/468555880.db2.gz XAKOMXLCBXXGSB-UHFFFAOYSA-N 2 1 346.519 2.335 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N([C@@H](C)C#N)C3CC3)CC2)CC1 ZINC000598135360 468775703 /nfs/dbraw/zinc/77/57/03/468775703.db2.gz TWYJRJPXYMQMTR-HNNXBMFYSA-N 2 1 332.492 2.086 20 30 EEEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000614403309 469931566 /nfs/dbraw/zinc/93/15/66/469931566.db2.gz QZSWNLFAYCWYIS-FXAWDEMLSA-N 2 1 326.488 2.325 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000291625797 526598481 /nfs/dbraw/zinc/59/84/81/526598481.db2.gz FVRGNEOEGMPMPO-UHFFFAOYSA-N 2 1 332.448 2.041 20 30 EEEDMP CCC[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190619643 528206412 /nfs/dbraw/zinc/20/64/12/528206412.db2.gz FXGZDPASUQABQW-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)CC1 ZINC000104166034 529149038 /nfs/dbraw/zinc/14/90/38/529149038.db2.gz LSQPQDXAHYOGJC-UHFFFAOYSA-N 2 1 331.508 2.027 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000970795788 676156596 /nfs/dbraw/zinc/15/65/96/676156596.db2.gz GQQLRBOFXUBTLY-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001021096362 675728808 /nfs/dbraw/zinc/72/88/08/675728808.db2.gz PAWZPJRFMDOMMW-GUDVDZBRSA-N 2 1 340.471 2.169 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622596 676276947 /nfs/dbraw/zinc/27/69/47/676276947.db2.gz KLEUXBGLZJPALS-HKUYNNGSSA-N 2 1 336.439 2.284 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CC4CC4)CC[C@@H]32)CC1 ZINC001021738890 676396969 /nfs/dbraw/zinc/39/69/69/676396969.db2.gz DLKXWODBCHJCEX-UXHICEINSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C(C)C)CC[C@H]32)CC1 ZINC001021738955 676397016 /nfs/dbraw/zinc/39/70/16/676397016.db2.gz FWDPQBMAISNUIE-RBUKOAKNSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCCF)CC[C@H]32)CC1 ZINC001021739132 676397307 /nfs/dbraw/zinc/39/73/07/676397307.db2.gz GRNSPINITHEWMH-RTBURBONSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCCC)CC[C@@H]32)CC1 ZINC001021740394 676399532 /nfs/dbraw/zinc/39/95/32/676399532.db2.gz SMXFXQIQZGXODX-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001023130551 679137582 /nfs/dbraw/zinc/13/75/82/679137582.db2.gz UDOCMYNRBFHKKW-OTWHNJEPSA-N 2 1 340.471 2.169 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972582559 679350414 /nfs/dbraw/zinc/35/04/14/679350414.db2.gz MHFACAHQNDRERN-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972582559 679350415 /nfs/dbraw/zinc/35/04/15/679350415.db2.gz MHFACAHQNDRERN-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587995 679399751 /nfs/dbraw/zinc/39/97/51/679399751.db2.gz PJBMPMPWJVDZSO-IRXDYDNUSA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587995 679399754 /nfs/dbraw/zinc/39/97/54/679399754.db2.gz PJBMPMPWJVDZSO-IRXDYDNUSA-N 2 1 330.476 2.158 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001024516781 680022100 /nfs/dbraw/zinc/02/21/00/680022100.db2.gz NPKKWZDGFSXFPS-JKSUJKDBSA-N 2 1 330.476 2.370 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001024516781 680022107 /nfs/dbraw/zinc/02/21/07/680022107.db2.gz NPKKWZDGFSXFPS-JKSUJKDBSA-N 2 1 330.476 2.370 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCn4c(C)ncc4C3)C[C@@]2(C)C1 ZINC000982558443 681648946 /nfs/dbraw/zinc/64/89/46/681648946.db2.gz ZXJLHANTBWGWGJ-AHRSYUTCSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@]2(C)C1 ZINC000982558443 681648950 /nfs/dbraw/zinc/64/89/50/681648950.db2.gz ZXJLHANTBWGWGJ-AHRSYUTCSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@]2(C)C1 ZINC000982558443 681648954 /nfs/dbraw/zinc/64/89/54/681648954.db2.gz ZXJLHANTBWGWGJ-AHRSYUTCSA-N 2 1 342.487 2.110 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239743 682294807 /nfs/dbraw/zinc/29/48/07/682294807.db2.gz ITMQFKGBMDHEEH-QZTJIDSGSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001025300354 682413292 /nfs/dbraw/zinc/41/32/92/682413292.db2.gz CJAYOMYFCPQVRH-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520185 682953963 /nfs/dbraw/zinc/95/39/63/682953963.db2.gz BKLFIPMVBROWSI-GOEBONIOSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029108445 683163358 /nfs/dbraw/zinc/16/33/58/683163358.db2.gz JIKNSIULOXZVEG-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029108445 683163362 /nfs/dbraw/zinc/16/33/62/683163362.db2.gz JIKNSIULOXZVEG-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974859711 685645486 /nfs/dbraw/zinc/64/54/86/685645486.db2.gz BZRZBCFMUWSJAS-LJQANCHMSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC000992920798 683653012 /nfs/dbraw/zinc/65/30/12/683653012.db2.gz QHPWOWXCISQLMF-BZUAXINKSA-N 2 1 336.867 2.161 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]12 ZINC001026315696 684242528 /nfs/dbraw/zinc/24/25/28/684242528.db2.gz RZMAETRKAUXDOY-BRWVUGGUSA-N 2 1 342.487 2.165 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001026464445 684677922 /nfs/dbraw/zinc/67/79/22/684677922.db2.gz HBSAAYMIAQLRGU-ACBHZAAOSA-N 2 1 340.471 2.169 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CCC3CC3)C2)CC1 ZINC001027694204 694002352 /nfs/dbraw/zinc/00/23/52/694002352.db2.gz UMOUXKHAJNHKOL-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000985435663 686716314 /nfs/dbraw/zinc/71/63/14/686716314.db2.gz MDLUIYQJNUXAAE-KRWDZBQOSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000985435663 686716315 /nfs/dbraw/zinc/71/63/15/686716315.db2.gz MDLUIYQJNUXAAE-KRWDZBQOSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000985435663 686716317 /nfs/dbraw/zinc/71/63/17/686716317.db2.gz MDLUIYQJNUXAAE-KRWDZBQOSA-N 2 1 331.504 2.197 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027332109 687513401 /nfs/dbraw/zinc/51/34/01/687513401.db2.gz LDGXBGBERKIGPE-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027332109 687513408 /nfs/dbraw/zinc/51/34/08/687513408.db2.gz LDGXBGBERKIGPE-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027332109 687513416 /nfs/dbraw/zinc/51/34/16/687513416.db2.gz LDGXBGBERKIGPE-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027332109 687513423 /nfs/dbraw/zinc/51/34/23/687513423.db2.gz LDGXBGBERKIGPE-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411271 687977585 /nfs/dbraw/zinc/97/75/85/687977585.db2.gz OCSVKMGSLKBEEO-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027411271 687977587 /nfs/dbraw/zinc/97/75/87/687977587.db2.gz OCSVKMGSLKBEEO-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027411271 687977591 /nfs/dbraw/zinc/97/75/91/687977591.db2.gz OCSVKMGSLKBEEO-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@@H](c2ccccc2)C1 ZINC000262797478 688486589 /nfs/dbraw/zinc/48/65/89/688486589.db2.gz PUANETLIMZCMCP-IEBWSBKVSA-N 2 1 346.544 2.489 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001089885601 1192684870 /nfs/dbraw/zinc/68/48/70/1192684870.db2.gz IAKGZLMEPBJYEU-YRPNKDGESA-N 2 1 345.531 2.462 20 30 EEEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001482058977 1183266594 /nfs/dbraw/zinc/26/65/94/1183266594.db2.gz UUAYEWLNCPNFKA-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105541966 1188154778 /nfs/dbraw/zinc/15/47/78/1188154778.db2.gz MJLVDRUCDKXGHQ-GOSISDBHSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576477 1188190499 /nfs/dbraw/zinc/19/04/99/1188190499.db2.gz FHRVPTDMLBKJEK-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991068785 1189834781 /nfs/dbraw/zinc/83/47/81/1189834781.db2.gz PQQCTWQQCAGIKV-WSTZPKSXSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000991068785 1189834787 /nfs/dbraw/zinc/83/47/87/1189834787.db2.gz PQQCTWQQCAGIKV-WSTZPKSXSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000991068785 1189834792 /nfs/dbraw/zinc/83/47/92/1189834792.db2.gz PQQCTWQQCAGIKV-WSTZPKSXSA-N 2 1 331.504 2.386 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CCCC1 ZINC001484000744 1191150617 /nfs/dbraw/zinc/15/06/17/1191150617.db2.gz JFDPVBHWPPGRPW-INIZCTEOSA-N 2 1 327.900 2.488 20 30 EEEDMP C[N@@H+](CC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001484047176 1191178434 /nfs/dbraw/zinc/17/84/34/1191178434.db2.gz IHMKKSTYKOOJLT-HXUWFJFHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001484047176 1191178435 /nfs/dbraw/zinc/17/84/35/1191178435.db2.gz IHMKKSTYKOOJLT-HXUWFJFHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001484047176 1191178437 /nfs/dbraw/zinc/17/84/37/1191178437.db2.gz IHMKKSTYKOOJLT-HXUWFJFHSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001484983341 1191601441 /nfs/dbraw/zinc/60/14/41/1191601441.db2.gz WCCCPWDCDAHTBO-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001484983341 1191601442 /nfs/dbraw/zinc/60/14/42/1191601442.db2.gz WCCCPWDCDAHTBO-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001484983341 1191601443 /nfs/dbraw/zinc/60/14/43/1191601443.db2.gz WCCCPWDCDAHTBO-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1C#N ZINC001272991867 1194300528 /nfs/dbraw/zinc/30/05/28/1194300528.db2.gz YLATYAQZUJQKOS-HXUWFJFHSA-N 2 1 340.471 2.077 20 30 EEEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1C#N ZINC001272991867 1194300530 /nfs/dbraw/zinc/30/05/30/1194300530.db2.gz YLATYAQZUJQKOS-HXUWFJFHSA-N 2 1 340.471 2.077 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001034734694 1196634366 /nfs/dbraw/zinc/63/43/66/1196634366.db2.gz VKJVWAWUABJQDF-BRWVUGGUSA-N 2 1 330.476 2.347 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132203045 1199447741 /nfs/dbraw/zinc/44/77/41/1199447741.db2.gz NHUIVLZZWGDTQO-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132522269 1199832550 /nfs/dbraw/zinc/83/25/50/1199832550.db2.gz NSCLIHYAAJEBCV-VQIMIIECSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132522269 1199832556 /nfs/dbraw/zinc/83/25/56/1199832556.db2.gz NSCLIHYAAJEBCV-VQIMIIECSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132522269 1199832562 /nfs/dbraw/zinc/83/25/62/1199832562.db2.gz NSCLIHYAAJEBCV-VQIMIIECSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132522269 1199832567 /nfs/dbraw/zinc/83/25/67/1199832567.db2.gz NSCLIHYAAJEBCV-VQIMIIECSA-N 2 1 342.487 2.368 20 30 EEEDMP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768209 1200417165 /nfs/dbraw/zinc/41/71/65/1200417165.db2.gz OMGZEAFXJANDAH-GOSISDBHSA-N 2 1 339.524 2.234 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111039026 1207665526 /nfs/dbraw/zinc/66/55/26/1207665526.db2.gz VIMBRTBMVYFLAO-MANSERQUSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147129 1208288450 /nfs/dbraw/zinc/28/84/50/1208288450.db2.gz PTYYWJJXNXBCSQ-QRVBRYPASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147129 1208288453 /nfs/dbraw/zinc/28/84/53/1208288453.db2.gz PTYYWJJXNXBCSQ-QRVBRYPASA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947722621 1208686950 /nfs/dbraw/zinc/68/69/50/1208686950.db2.gz KTIWCTCILIBLKT-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947722621 1208686952 /nfs/dbraw/zinc/68/69/52/1208686952.db2.gz KTIWCTCILIBLKT-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947722621 1208686953 /nfs/dbraw/zinc/68/69/53/1208686953.db2.gz KTIWCTCILIBLKT-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947722621 1208686954 /nfs/dbraw/zinc/68/69/54/1208686954.db2.gz KTIWCTCILIBLKT-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947857667 1208748664 /nfs/dbraw/zinc/74/86/64/1208748664.db2.gz PSIVPNHVRDYBDG-DOTOQJQBSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947857667 1208748666 /nfs/dbraw/zinc/74/86/66/1208748666.db2.gz PSIVPNHVRDYBDG-DOTOQJQBSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001114837365 1215715108 /nfs/dbraw/zinc/71/51/08/1215715108.db2.gz DFZPEERNWJTYOV-PMOLBWCYSA-N 2 1 341.499 2.417 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C[NH+](C)C ZINC000962777294 1216072888 /nfs/dbraw/zinc/07/28/88/1216072888.db2.gz OESDEOJVIHIYQJ-BWTSREIZSA-N 2 1 327.472 2.374 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2c1cccc2C ZINC000304744986 1216102490 /nfs/dbraw/zinc/10/24/90/1216102490.db2.gz DXCUQJCATFOMLI-MRXNPFEDSA-N 2 1 327.476 2.407 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961270470 1217120045 /nfs/dbraw/zinc/12/00/45/1217120045.db2.gz IHLBRSKPPHCPFK-QZTJIDSGSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CC[NH+](C)C ZINC000961357856 1217156504 /nfs/dbraw/zinc/15/65/04/1217156504.db2.gz LUKKMZLRXWMSDO-PIIMJCKOSA-N 2 1 347.890 2.203 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CC[NH+](C)C ZINC000961357856 1217156506 /nfs/dbraw/zinc/15/65/06/1217156506.db2.gz LUKKMZLRXWMSDO-PIIMJCKOSA-N 2 1 347.890 2.203 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(C)c2)C1 ZINC000961938760 1217412068 /nfs/dbraw/zinc/41/20/68/1217412068.db2.gz UETXCTBMWVPXGX-MHJFOBGBSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(C)c2)C1 ZINC000961938760 1217412071 /nfs/dbraw/zinc/41/20/71/1217412071.db2.gz UETXCTBMWVPXGX-MHJFOBGBSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963428216 1217622209 /nfs/dbraw/zinc/62/22/09/1217622209.db2.gz KEMFMBBTNNTYOO-MOPGFXCFSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000968913412 1221664647 /nfs/dbraw/zinc/66/46/47/1221664647.db2.gz FWNNEZGXZOHBMI-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968913412 1221664653 /nfs/dbraw/zinc/66/46/53/1221664653.db2.gz FWNNEZGXZOHBMI-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968913412 1221664657 /nfs/dbraw/zinc/66/46/57/1221664657.db2.gz FWNNEZGXZOHBMI-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968913412 1221664659 /nfs/dbraw/zinc/66/46/59/1221664659.db2.gz FWNNEZGXZOHBMI-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968913412 1221664661 /nfs/dbraw/zinc/66/46/61/1221664661.db2.gz FWNNEZGXZOHBMI-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000968966762 1221705394 /nfs/dbraw/zinc/70/53/94/1221705394.db2.gz AXVRMGCLISVYFL-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001422 1221730135 /nfs/dbraw/zinc/73/01/35/1221730135.db2.gz AMSLAQYXAWARKA-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001422 1221730139 /nfs/dbraw/zinc/73/01/39/1221730139.db2.gz AMSLAQYXAWARKA-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008505480 1222893744 /nfs/dbraw/zinc/89/37/44/1222893744.db2.gz AFXDNQNDJWAKGJ-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008505480 1222893748 /nfs/dbraw/zinc/89/37/48/1222893748.db2.gz AFXDNQNDJWAKGJ-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008505480 1222893751 /nfs/dbraw/zinc/89/37/51/1222893751.db2.gz AFXDNQNDJWAKGJ-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001008534320 1222911628 /nfs/dbraw/zinc/91/16/28/1222911628.db2.gz XNFHQBFRXGNGJW-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001008534320 1222911630 /nfs/dbraw/zinc/91/16/30/1222911630.db2.gz XNFHQBFRXGNGJW-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001008534320 1222911632 /nfs/dbraw/zinc/91/16/32/1222911632.db2.gz XNFHQBFRXGNGJW-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001008534320 1222911634 /nfs/dbraw/zinc/91/16/34/1222911634.db2.gz XNFHQBFRXGNGJW-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001008534319 1222911739 /nfs/dbraw/zinc/91/17/39/1222911739.db2.gz XNFHQBFRXGNGJW-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001008534319 1222911742 /nfs/dbraw/zinc/91/17/42/1222911742.db2.gz XNFHQBFRXGNGJW-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001008534319 1222911747 /nfs/dbraw/zinc/91/17/47/1222911747.db2.gz XNFHQBFRXGNGJW-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001008534319 1222911751 /nfs/dbraw/zinc/91/17/51/1222911751.db2.gz XNFHQBFRXGNGJW-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016625927 1226700455 /nfs/dbraw/zinc/70/04/55/1226700455.db2.gz QAEHULCPEDAWRR-IEBWSBKVSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018985877 1228608178 /nfs/dbraw/zinc/60/81/78/1228608178.db2.gz KCBWYSBFMMEYFA-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018985877 1228608182 /nfs/dbraw/zinc/60/81/82/1228608182.db2.gz KCBWYSBFMMEYFA-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001020250369 1229583091 /nfs/dbraw/zinc/58/30/91/1229583091.db2.gz DOWJMBNEEWSARB-UFYCRDLUSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001020250369 1229583098 /nfs/dbraw/zinc/58/30/98/1229583098.db2.gz DOWJMBNEEWSARB-UFYCRDLUSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039133337 1230343397 /nfs/dbraw/zinc/34/33/97/1230343397.db2.gz SGNGBJYBUJMFJD-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039133337 1230343400 /nfs/dbraw/zinc/34/34/00/1230343400.db2.gz SGNGBJYBUJMFJD-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039133337 1230343404 /nfs/dbraw/zinc/34/34/04/1230343404.db2.gz SGNGBJYBUJMFJD-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC001039140874 1230356569 /nfs/dbraw/zinc/35/65/69/1230356569.db2.gz YYGSGIYUHOZEQB-MRXNPFEDSA-N 2 1 346.475 2.096 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC001039140874 1230356574 /nfs/dbraw/zinc/35/65/74/1230356574.db2.gz YYGSGIYUHOZEQB-MRXNPFEDSA-N 2 1 346.475 2.096 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039242479 1230477254 /nfs/dbraw/zinc/47/72/54/1230477254.db2.gz OXBVGBFUHJTOKY-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039242479 1230477256 /nfs/dbraw/zinc/47/72/56/1230477256.db2.gz OXBVGBFUHJTOKY-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040256946 1231136480 /nfs/dbraw/zinc/13/64/80/1231136480.db2.gz BYXCSAKBFBWHDE-FQEVSTJZSA-N 2 1 343.515 2.200 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001040721816 1231348102 /nfs/dbraw/zinc/34/81/02/1231348102.db2.gz AREXOYIQGFJYMT-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001040746243 1231355716 /nfs/dbraw/zinc/35/57/16/1231355716.db2.gz XOTUJIDMLFLBPH-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288305 1231495916 /nfs/dbraw/zinc/49/59/16/1231495916.db2.gz VWPZJUDURJEROO-FUHWJXTLSA-N 2 1 337.895 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288305 1231495917 /nfs/dbraw/zinc/49/59/17/1231495917.db2.gz VWPZJUDURJEROO-FUHWJXTLSA-N 2 1 337.895 2.005 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041584650 1231609043 /nfs/dbraw/zinc/60/90/43/1231609043.db2.gz BWRHIPAQUSAAAI-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041584650 1231609044 /nfs/dbraw/zinc/60/90/44/1231609044.db2.gz BWRHIPAQUSAAAI-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041584650 1231609046 /nfs/dbraw/zinc/60/90/46/1231609046.db2.gz BWRHIPAQUSAAAI-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845749 1231728677 /nfs/dbraw/zinc/72/86/77/1231728677.db2.gz PKMSCZVFTIHXGY-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042316734 1232024597 /nfs/dbraw/zinc/02/45/97/1232024597.db2.gz RTGKNPVBOXMZCV-CRAIPNDOSA-N 2 1 328.460 2.260 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042316734 1232024599 /nfs/dbraw/zinc/02/45/99/1232024599.db2.gz RTGKNPVBOXMZCV-CRAIPNDOSA-N 2 1 328.460 2.260 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001044741434 1233227019 /nfs/dbraw/zinc/22/70/19/1233227019.db2.gz AJNIYIMZPVASNG-HZPDHXFCSA-N 2 1 346.475 2.429 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945209 1234205856 /nfs/dbraw/zinc/20/58/56/1234205856.db2.gz ORTNXCXQCYMVMA-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945209 1234205858 /nfs/dbraw/zinc/20/58/58/1234205858.db2.gz ORTNXCXQCYMVMA-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945209 1234205861 /nfs/dbraw/zinc/20/58/61/1234205861.db2.gz ORTNXCXQCYMVMA-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945646 1234206772 /nfs/dbraw/zinc/20/67/72/1234206772.db2.gz WEPIWVGWDRIOOD-AZUAARDMSA-N 2 1 333.520 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951942 1234218965 /nfs/dbraw/zinc/21/89/65/1234218965.db2.gz KQVLENRXXXCAOH-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951942 1234218969 /nfs/dbraw/zinc/21/89/69/1234218969.db2.gz KQVLENRXXXCAOH-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045980395 1234270859 /nfs/dbraw/zinc/27/08/59/1234270859.db2.gz XLWQYUBGWXYKDM-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980395 1234270861 /nfs/dbraw/zinc/27/08/61/1234270861.db2.gz XLWQYUBGWXYKDM-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980395 1234270864 /nfs/dbraw/zinc/27/08/64/1234270864.db2.gz XLWQYUBGWXYKDM-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@]3(CC[N@H+](C(C)C)C3)C2)CC1 ZINC001045986148 1234282207 /nfs/dbraw/zinc/28/22/07/1234282207.db2.gz IACFPWVIBRWQEV-OAQYLSRUSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257820 1235762333 /nfs/dbraw/zinc/76/23/33/1235762333.db2.gz UWPPXXYRUWCAKG-AZUAARDMSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048524835 1237861728 /nfs/dbraw/zinc/86/17/28/1237861728.db2.gz BQAKQTCZFGFNRT-QTMHVTGLSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)C2 ZINC001048524835 1237861732 /nfs/dbraw/zinc/86/17/32/1237861732.db2.gz BQAKQTCZFGFNRT-QTMHVTGLSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)C2 ZINC001048524835 1237861736 /nfs/dbraw/zinc/86/17/36/1237861736.db2.gz BQAKQTCZFGFNRT-QTMHVTGLSA-N 2 1 331.504 2.406 20 30 EEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001048588836 1238037943 /nfs/dbraw/zinc/03/79/43/1238037943.db2.gz ODRAKLBOGBWLQY-RDGPPVDQSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001048588836 1238037953 /nfs/dbraw/zinc/03/79/53/1238037953.db2.gz ODRAKLBOGBWLQY-RDGPPVDQSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001048588836 1238037961 /nfs/dbraw/zinc/03/79/61/1238037961.db2.gz ODRAKLBOGBWLQY-RDGPPVDQSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001048588836 1238037974 /nfs/dbraw/zinc/03/79/74/1238037974.db2.gz ODRAKLBOGBWLQY-RDGPPVDQSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049514651 1241189455 /nfs/dbraw/zinc/18/94/55/1241189455.db2.gz IFYLXYKLFVDNQT-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514651 1241189461 /nfs/dbraw/zinc/18/94/61/1241189461.db2.gz IFYLXYKLFVDNQT-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514651 1241189467 /nfs/dbraw/zinc/18/94/67/1241189467.db2.gz IFYLXYKLFVDNQT-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563634 1241431259 /nfs/dbraw/zinc/43/12/59/1241431259.db2.gz GGNYUXOAKDLDAG-QZTJIDSGSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563634 1241431269 /nfs/dbraw/zinc/43/12/69/1241431269.db2.gz GGNYUXOAKDLDAG-QZTJIDSGSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820686 1242306049 /nfs/dbraw/zinc/30/60/49/1242306049.db2.gz MEIDMFQQDHBZAQ-RTBURBONSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001001475383 1242344507 /nfs/dbraw/zinc/34/45/07/1242344507.db2.gz CLTMRQKOQHOGNZ-LJQANCHMSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001049838923 1242372695 /nfs/dbraw/zinc/37/26/95/1242372695.db2.gz ZHYLYHWDTSKWOD-QKNQBKEWSA-N 2 1 339.483 2.162 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001049838923 1242372703 /nfs/dbraw/zinc/37/27/03/1242372703.db2.gz ZHYLYHWDTSKWOD-QKNQBKEWSA-N 2 1 339.483 2.162 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049928049 1242749676 /nfs/dbraw/zinc/74/96/76/1242749676.db2.gz ZZQLDHGRRPKEFP-MSOLQXFVSA-N 2 1 343.471 2.434 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC[C@@H](C)F)C[C@H]32)CC1 ZINC001050208408 1243124369 /nfs/dbraw/zinc/12/43/69/1243124369.db2.gz KIICWDGAKMLXKI-NZSAHSFTSA-N 2 1 349.494 2.003 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)CC1 ZINC001050664349 1244077140 /nfs/dbraw/zinc/07/71/40/1244077140.db2.gz MMPZQPFKXBCBEQ-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@@H+]3CCC)cccc2C1 ZINC001051289244 1245482296 /nfs/dbraw/zinc/48/22/96/1245482296.db2.gz GNHCMJIHADUDAJ-HXUWFJFHSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CC[N@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3CCC)cccc2C1 ZINC001051289244 1245482301 /nfs/dbraw/zinc/48/23/01/1245482301.db2.gz GNHCMJIHADUDAJ-HXUWFJFHSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3CCC)cccc2C1 ZINC001051289244 1245482306 /nfs/dbraw/zinc/48/23/06/1245482306.db2.gz GNHCMJIHADUDAJ-HXUWFJFHSA-N 2 1 339.483 2.169 20 30 EEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)C3CC[NH+](C)CC3)cccc2C1 ZINC001051298205 1245497351 /nfs/dbraw/zinc/49/73/51/1245497351.db2.gz GJLFIYKENBSHNW-UHFFFAOYSA-N 2 1 327.472 2.189 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028334 1245711177 /nfs/dbraw/zinc/71/11/77/1245711177.db2.gz LDXQDKUXYBZGKW-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001101542975 1245945253 /nfs/dbraw/zinc/94/52/53/1245945253.db2.gz LDPMRHFQPDIQGO-SJLPKXTDSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001101573818 1245977872 /nfs/dbraw/zinc/97/78/72/1245977872.db2.gz FIGBSWPHGMJXNU-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001054145227 1247517020 /nfs/dbraw/zinc/51/70/20/1247517020.db2.gz NGQAKARLSJCDMS-CTNGQTDRSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145227 1247517027 /nfs/dbraw/zinc/51/70/27/1247517027.db2.gz NGQAKARLSJCDMS-CTNGQTDRSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145227 1247517032 /nfs/dbraw/zinc/51/70/32/1247517032.db2.gz NGQAKARLSJCDMS-CTNGQTDRSA-N 2 1 343.515 2.341 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052552167 1247544094 /nfs/dbraw/zinc/54/40/94/1247544094.db2.gz VLKRMOWRJCOOMF-MRXNPFEDSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227153 1247778371 /nfs/dbraw/zinc/77/83/71/1247778371.db2.gz FGGDIKOGUUUTTI-IBGZPJMESA-N 2 1 328.460 2.262 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227153 1247778379 /nfs/dbraw/zinc/77/83/79/1247778379.db2.gz FGGDIKOGUUUTTI-IBGZPJMESA-N 2 1 328.460 2.262 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001074314530 1256907293 /nfs/dbraw/zinc/90/72/93/1256907293.db2.gz HGAKPPWSCVZUOM-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001074314530 1256907298 /nfs/dbraw/zinc/90/72/98/1256907298.db2.gz HGAKPPWSCVZUOM-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099113900 1257973803 /nfs/dbraw/zinc/97/38/03/1257973803.db2.gz DRDGYRHCUXYIHY-FPOVZHCZSA-N 2 1 343.515 2.102 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099240912 1258030022 /nfs/dbraw/zinc/03/00/22/1258030022.db2.gz VQHAUKKKQYMPGN-SJORKVTESA-N 2 1 339.524 2.136 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCn1cc[nH+]c1C ZINC001099538254 1258195281 /nfs/dbraw/zinc/19/52/81/1258195281.db2.gz VKMXLDNPEAAHLB-RDGPPVDQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCn1cc[nH+]c1C ZINC001099538254 1258195285 /nfs/dbraw/zinc/19/52/85/1258195285.db2.gz VKMXLDNPEAAHLB-RDGPPVDQSA-N 2 1 342.487 2.327 20 30 EEEDMP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)CCc1cnc[nH]1 ZINC001134545436 1278002204 /nfs/dbraw/zinc/00/22/04/1278002204.db2.gz OTWBZJQZEFFSNO-HUUCEWRRSA-N 2 1 339.443 2.287 20 30 EEEDMP C[N@H+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190946966 1281141919 /nfs/dbraw/zinc/14/19/19/1281141919.db2.gz QCITULNZCQJQEB-PMACEKPBSA-N 2 1 339.483 2.055 20 30 EEEDMP C[N@@H+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190946966 1281141921 /nfs/dbraw/zinc/14/19/21/1281141921.db2.gz QCITULNZCQJQEB-PMACEKPBSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001190946966 1281141929 /nfs/dbraw/zinc/14/19/29/1281141929.db2.gz QCITULNZCQJQEB-PMACEKPBSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001190946966 1281141930 /nfs/dbraw/zinc/14/19/30/1281141930.db2.gz QCITULNZCQJQEB-PMACEKPBSA-N 2 1 339.483 2.055 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193292629 1282427094 /nfs/dbraw/zinc/42/70/94/1282427094.db2.gz QIKHROXOJPPMLR-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193292629 1282427100 /nfs/dbraw/zinc/42/71/00/1282427100.db2.gz QIKHROXOJPPMLR-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193292629 1282427106 /nfs/dbraw/zinc/42/71/06/1282427106.db2.gz QIKHROXOJPPMLR-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC(CC)CC)C2)CC1 ZINC001194247793 1282956607 /nfs/dbraw/zinc/95/66/07/1282956607.db2.gz ZPQHRWKBAUBGAH-IBGZPJMESA-N 2 1 333.520 2.301 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201558388 1289665269 /nfs/dbraw/zinc/66/52/69/1289665269.db2.gz OCGRUDQEADQUTN-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852102532 1291994214 /nfs/dbraw/zinc/99/42/14/1291994214.db2.gz YUSFHQRABTWOPC-IMFGXOCKSA-N 2 1 327.472 2.157 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC3CCCC3)C2)CC1 ZINC001072094524 1295234107 /nfs/dbraw/zinc/23/41/07/1295234107.db2.gz AMEXLAZAUXMZIF-PXNSSMCTSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CCCC3)C2)CC1 ZINC001072094525 1295234540 /nfs/dbraw/zinc/23/45/40/1295234540.db2.gz AMEXLAZAUXMZIF-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC(C)C)C2)CC1 ZINC001072095702 1295237870 /nfs/dbraw/zinc/23/78/70/1295237870.db2.gz MXGQQJYSDQLOKS-PKOBYXMFSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213528983 1296073366 /nfs/dbraw/zinc/07/33/66/1296073366.db2.gz HMMSJEGZHGNRFX-IAGOWNOFSA-N 2 1 348.491 2.178 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213528983 1296073374 /nfs/dbraw/zinc/07/33/74/1296073374.db2.gz HMMSJEGZHGNRFX-IAGOWNOFSA-N 2 1 348.491 2.178 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214850345 1296619529 /nfs/dbraw/zinc/61/95/29/1296619529.db2.gz SWRXIFPOOAXJCI-QRQLOZEOSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218100788 1297570456 /nfs/dbraw/zinc/57/04/56/1297570456.db2.gz BYXGVBWKMHUZGM-GBESFXJTSA-N 2 1 349.519 2.127 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001218100788 1297570462 /nfs/dbraw/zinc/57/04/62/1297570462.db2.gz BYXGVBWKMHUZGM-GBESFXJTSA-N 2 1 349.519 2.127 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001218100788 1297570471 /nfs/dbraw/zinc/57/04/71/1297570471.db2.gz BYXGVBWKMHUZGM-GBESFXJTSA-N 2 1 349.519 2.127 20 30 EEEDMP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001218623790 1297738940 /nfs/dbraw/zinc/73/89/40/1297738940.db2.gz ICJRGQGRSTUNMJ-CEXWTWQISA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568673 1298455344 /nfs/dbraw/zinc/45/53/44/1298455344.db2.gz YOPKZOYGWBGWSE-KURKYZTESA-N 2 1 339.524 2.015 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCCC=C)[C@H]3C2)CC1 ZINC001224227786 1300498456 /nfs/dbraw/zinc/49/84/56/1300498456.db2.gz QJAXKNYHFZWDKL-QUCCMNQESA-N 2 1 343.515 2.221 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102189939 1300531376 /nfs/dbraw/zinc/53/13/76/1300531376.db2.gz JETVMBSVVDMDKT-QZTJIDSGSA-N 2 1 333.520 2.206 20 30 EEEDMP C#CCCC[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276978752 1300635596 /nfs/dbraw/zinc/63/55/96/1300635596.db2.gz RBWLCSMPIYSZPC-QUCCMNQESA-N 2 1 331.504 2.102 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+](C)C ZINC001102378289 1300958251 /nfs/dbraw/zinc/95/82/51/1300958251.db2.gz RTSFOTMXQXZQSL-LZQZEXGQSA-N 2 1 342.487 2.083 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102473738 1301118126 /nfs/dbraw/zinc/11/81/26/1301118126.db2.gz NCWQWBOAUCNETB-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001228647456 1302359758 /nfs/dbraw/zinc/35/97/58/1302359758.db2.gz TWAXXPIAAKCSIE-WOJBJXKFSA-N 2 1 341.499 2.201 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001228827667 1302470124 /nfs/dbraw/zinc/47/01/24/1302470124.db2.gz XGDWWHBYCWWJAH-SJLPKXTDSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001228827667 1302470137 /nfs/dbraw/zinc/47/01/37/1302470137.db2.gz XGDWWHBYCWWJAH-SJLPKXTDSA-N 2 1 337.508 2.031 20 30 EEEDMP CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001229678618 1302913330 /nfs/dbraw/zinc/91/33/30/1302913330.db2.gz ITVMWGHANCDUJH-UHFFFAOYSA-N 2 1 334.489 2.042 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C(F)(F)F ZINC001112198907 1304321954 /nfs/dbraw/zinc/32/19/54/1304321954.db2.gz BLCNMXNHZLKILU-FMKPAKJESA-N 2 1 345.409 2.027 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC001115128258 1304718688 /nfs/dbraw/zinc/71/86/88/1304718688.db2.gz IOEPEQIJKRTUDH-KBEGMRNHSA-N 2 1 328.460 2.162 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC001115128258 1304718695 /nfs/dbraw/zinc/71/86/95/1304718695.db2.gz IOEPEQIJKRTUDH-KBEGMRNHSA-N 2 1 328.460 2.162 20 30 EEEDMP CC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277889037 1305022934 /nfs/dbraw/zinc/02/29/34/1305022934.db2.gz MZTVDIDNSCDHTJ-OLMNPRSZSA-N 2 1 328.460 2.018 20 30 EEEDMP CC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277889037 1305022942 /nfs/dbraw/zinc/02/29/42/1305022942.db2.gz MZTVDIDNSCDHTJ-OLMNPRSZSA-N 2 1 328.460 2.018 20 30 EEEDMP N#CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277948279 1305248033 /nfs/dbraw/zinc/24/80/33/1305248033.db2.gz BRQHIDWHHVZLII-SFHVURJKSA-N 2 1 344.503 2.089 20 30 EEEDMP Cn1cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)c2cc(C#N)ccc21 ZINC001237473525 1305949202 /nfs/dbraw/zinc/94/92/02/1305949202.db2.gz MTYYNFLZLRHWLN-UHFFFAOYSA-N 2 1 339.487 2.119 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421949 1309523177 /nfs/dbraw/zinc/52/31/77/1309523177.db2.gz GVNAFBMZANJDRV-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001121462221 1310018696 /nfs/dbraw/zinc/01/86/96/1310018696.db2.gz BMNAKXCDTXPOKL-UHFFFAOYSA-N 2 1 331.504 2.291 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246309702 1310278345 /nfs/dbraw/zinc/27/83/45/1310278345.db2.gz WJKLUBFTJWRDFY-KRWDZBQOSA-N 3 1 337.508 2.115 20 30 EEEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149847627 1316064575 /nfs/dbraw/zinc/06/45/75/1316064575.db2.gz GCFBHXUZUDCSKN-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149847627 1316064576 /nfs/dbraw/zinc/06/45/76/1316064576.db2.gz GCFBHXUZUDCSKN-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149847627 1316064583 /nfs/dbraw/zinc/06/45/83/1316064583.db2.gz GCFBHXUZUDCSKN-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155248939 1317521461 /nfs/dbraw/zinc/52/14/61/1317521461.db2.gz AXAJWIPSOWPVSO-QGZVFWFLSA-N 2 1 329.488 2.254 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C#N ZINC001155900159 1317781838 /nfs/dbraw/zinc/78/18/38/1317781838.db2.gz CSRCLAGEKDRILZ-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C#N ZINC001155900159 1317781841 /nfs/dbraw/zinc/78/18/41/1317781841.db2.gz CSRCLAGEKDRILZ-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001258727125 1319328256 /nfs/dbraw/zinc/32/82/56/1319328256.db2.gz FMJNLNYIXMNMBH-WMZOPIPTSA-N 2 1 347.507 2.181 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001258727125 1319328267 /nfs/dbraw/zinc/32/82/67/1319328267.db2.gz FMJNLNYIXMNMBH-WMZOPIPTSA-N 2 1 347.507 2.181 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001159328274 1319742628 /nfs/dbraw/zinc/74/26/28/1319742628.db2.gz RYHLGAAWJQRLND-GOSISDBHSA-N 2 1 346.450 2.168 20 30 EEEDMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001159846739 1320003872 /nfs/dbraw/zinc/00/38/72/1320003872.db2.gz SUHALOZRSSOCAF-IBGZPJMESA-N 2 1 342.487 2.132 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001160209233 1320100183 /nfs/dbraw/zinc/10/01/83/1320100183.db2.gz FEOUGHLTMZNNEE-FQEVSTJZSA-N 2 1 339.483 2.258 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001160209233 1320100188 /nfs/dbraw/zinc/10/01/88/1320100188.db2.gz FEOUGHLTMZNNEE-FQEVSTJZSA-N 2 1 339.483 2.258 20 30 EEEDMP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160869688 1320298411 /nfs/dbraw/zinc/29/84/11/1320298411.db2.gz RKQKIKPIIUIDMD-OALUTQOASA-N 2 1 340.471 2.171 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161930635 1320680657 /nfs/dbraw/zinc/68/06/57/1320680657.db2.gz FJQFACXQAWJMCU-UHFFFAOYSA-N 2 1 325.456 2.133 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001162982726 1321004406 /nfs/dbraw/zinc/00/44/06/1321004406.db2.gz MNDCDCLNTMDPHO-IBGZPJMESA-N 2 1 329.488 2.175 20 30 EEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001166869540 1321805468 /nfs/dbraw/zinc/80/54/68/1321805468.db2.gz CRMRVUJGUZSDFG-INIZCTEOSA-N 2 1 330.476 2.206 20 30 EEEDMP C=C(Br)C[NH2+]CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001206890588 1323674167 /nfs/dbraw/zinc/67/41/67/1323674167.db2.gz YTXHOBBBRJACOW-UHFFFAOYSA-N 2 1 346.313 2.065 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC/C=C\CCC)C1 ZINC001208352862 1324445407 /nfs/dbraw/zinc/44/54/07/1324445407.db2.gz QXIRHHBCXWZSPB-MGBKSAOESA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC/C=C\CCC)C1 ZINC001208352862 1324445412 /nfs/dbraw/zinc/44/54/12/1324445412.db2.gz QXIRHHBCXWZSPB-MGBKSAOESA-N 2 1 331.504 2.411 20 30 EEEDMP C=CCN(CC=C)CCN1CC[NH+](CC2CC[NH+](CC)CC2)CC1 ZINC001208603232 1324585064 /nfs/dbraw/zinc/58/50/64/1324585064.db2.gz WVLGBMRPCWAKIJ-UHFFFAOYSA-N 2 1 334.552 2.010 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210643928 1325364058 /nfs/dbraw/zinc/36/40/58/1325364058.db2.gz MGSWHVCLCBLLSG-MOPGFXCFSA-N 2 1 327.472 2.283 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001314492421 1331825647 /nfs/dbraw/zinc/82/56/47/1331825647.db2.gz PYBHTOZNTYJTMK-MOPGFXCFSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC001331376584 1335004996 /nfs/dbraw/zinc/00/49/96/1335004996.db2.gz VXUYXWJUJCHOKP-XBMUEBEBSA-N 2 1 346.519 2.180 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC001331376584 1335004999 /nfs/dbraw/zinc/00/49/99/1335004999.db2.gz VXUYXWJUJCHOKP-XBMUEBEBSA-N 2 1 346.519 2.180 20 30 EEEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588632536 1348925287 /nfs/dbraw/zinc/92/52/87/1348925287.db2.gz VFMXCUCBWIZIPN-UHFFFAOYSA-N 2 1 337.431 2.221 20 30 EEEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588632536 1348925290 /nfs/dbraw/zinc/92/52/90/1348925290.db2.gz VFMXCUCBWIZIPN-UHFFFAOYSA-N 2 1 337.431 2.221 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135028334 1367996390 /nfs/dbraw/zinc/99/63/90/1367996390.db2.gz FXASVHCENHQLLP-IRXDYDNUSA-N 2 1 338.455 2.116 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001111753337 1371241546 /nfs/dbraw/zinc/24/15/46/1371241546.db2.gz WBLWNUBIWOOHRR-NSHGMRRFSA-N 2 1 331.504 2.265 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001112410777 1371434114 /nfs/dbraw/zinc/43/41/14/1371434114.db2.gz OSDHHBJBKNAJCK-NSHGMRRFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100415527 1373039921 /nfs/dbraw/zinc/03/99/21/1373039921.db2.gz VQAPMTHPSGAVIS-ACBHZAAOSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100415527 1373039922 /nfs/dbraw/zinc/03/99/22/1373039922.db2.gz VQAPMTHPSGAVIS-ACBHZAAOSA-N 2 1 331.504 2.149 20 30 EEEDMP CC[NH+]1CCC(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 ZINC001363612129 1373539296 /nfs/dbraw/zinc/53/92/96/1373539296.db2.gz VRYBFKKVGTYPAS-CVEARBPZSA-N 2 1 336.480 2.067 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001390152021 1388464237 /nfs/dbraw/zinc/46/42/37/1388464237.db2.gz AYESTQQQXJDIAT-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001376559538 1378595944 /nfs/dbraw/zinc/59/59/44/1378595944.db2.gz RAWWDIDYALRJHJ-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001377006338 1378915506 /nfs/dbraw/zinc/91/55/06/1378915506.db2.gz ZNMQKFRAAUALTD-GOSISDBHSA-N 2 1 348.466 2.318 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001378187164 1379768647 /nfs/dbraw/zinc/76/86/47/1379768647.db2.gz CWUFVTLKKIDTIB-KBXCAEBGSA-N 2 1 348.466 2.220 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001378187164 1379768651 /nfs/dbraw/zinc/76/86/51/1379768651.db2.gz CWUFVTLKKIDTIB-KBXCAEBGSA-N 2 1 348.466 2.220 20 30 EEEDMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001378225414 1379805011 /nfs/dbraw/zinc/80/50/11/1379805011.db2.gz AZGJKBHHPMEQEQ-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001378225414 1379805015 /nfs/dbraw/zinc/80/50/15/1379805015.db2.gz AZGJKBHHPMEQEQ-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)s1)C(=O)C1([NH+](C)C)CCC1 ZINC001380975968 1381475112 /nfs/dbraw/zinc/47/51/12/1381475112.db2.gz CBVMQBNUCXBTDT-UHFFFAOYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001382306849 1382060562 /nfs/dbraw/zinc/06/05/62/1382060562.db2.gz COBFCSRNZMWSFP-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391885767 1389686320 /nfs/dbraw/zinc/68/63/20/1389686320.db2.gz HEUTVFVDDZIFNB-QFBILLFUSA-N 2 1 342.487 2.273 20 30 EEEDMP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754238902 1406875395 /nfs/dbraw/zinc/87/53/95/1406875395.db2.gz JNHSPKVPYGCOJP-RYRKJORJSA-N 2 1 345.462 2.002 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001402065293 1397743006 /nfs/dbraw/zinc/74/30/06/1397743006.db2.gz BONGGLITCPCPJA-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001402137471 1397788274 /nfs/dbraw/zinc/78/82/74/1397788274.db2.gz RPXHDAASIIMENZ-RDJZCZTQSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001402137471 1397788280 /nfs/dbraw/zinc/78/82/80/1397788280.db2.gz RPXHDAASIIMENZ-RDJZCZTQSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001402146120 1397794763 /nfs/dbraw/zinc/79/47/63/1397794763.db2.gz YSTUMTWWNBTIEQ-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001402146120 1397794769 /nfs/dbraw/zinc/79/47/69/1397794769.db2.gz YSTUMTWWNBTIEQ-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001402146120 1397794774 /nfs/dbraw/zinc/79/47/74/1397794774.db2.gz YSTUMTWWNBTIEQ-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001402146120 1397794782 /nfs/dbraw/zinc/79/47/82/1397794782.db2.gz YSTUMTWWNBTIEQ-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C(F)(F)F ZINC001755850445 1407901871 /nfs/dbraw/zinc/90/18/71/1407901871.db2.gz DULDMEFKVDYQEB-ZIAGYGMSSA-N 2 1 344.381 2.137 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001121868135 1410249059 /nfs/dbraw/zinc/24/90/59/1410249059.db2.gz VLTOWEHWKQZQFD-UHFFFAOYSA-N 2 1 342.487 2.437 20 30 EEEDMP Cc1ccc(CC#N)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679824 719643867 /nfs/dbraw/zinc/64/38/67/719643867.db2.gz OCKYSZBTDBVBHP-UHFFFAOYSA-N 2 1 338.459 2.128 20 30 EEEDMP Cc1ccc(CC#N)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679824 719643875 /nfs/dbraw/zinc/64/38/75/719643875.db2.gz OCKYSZBTDBVBHP-UHFFFAOYSA-N 2 1 338.459 2.128 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452709 760911008 /nfs/dbraw/zinc/91/10/08/760911008.db2.gz QWDKWCATZDTCJH-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487207 769749812 /nfs/dbraw/zinc/74/98/12/769749812.db2.gz JSAQPKFEKXFOMG-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487207 769749822 /nfs/dbraw/zinc/74/98/22/769749822.db2.gz JSAQPKFEKXFOMG-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC000979710255 770922279 /nfs/dbraw/zinc/92/22/79/770922279.db2.gz KDJSKBRYSCCWHT-KSZLIROESA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088141820 782970407 /nfs/dbraw/zinc/97/04/07/782970407.db2.gz FCEAGRMDPADUOX-UXHICEINSA-N 2 1 339.483 2.165 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCC[NH+]1CCCC1)C[C@@H](C)O2 ZINC001131704718 783083675 /nfs/dbraw/zinc/08/36/75/783083675.db2.gz ZHSIHJGFCOTPIA-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980186582 774047883 /nfs/dbraw/zinc/04/78/83/774047883.db2.gz JXXUQLLOYOBGCS-BZSNNMDCSA-N 2 1 342.487 2.247 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980186582 774047888 /nfs/dbraw/zinc/04/78/88/774047888.db2.gz JXXUQLLOYOBGCS-BZSNNMDCSA-N 2 1 342.487 2.247 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C)sc2C)C1 ZINC001031742458 774204509 /nfs/dbraw/zinc/20/45/09/774204509.db2.gz FQGXFCRJALXHTK-SFHVURJKSA-N 2 1 345.512 2.011 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C)sc2C)C1 ZINC001031742458 774204514 /nfs/dbraw/zinc/20/45/14/774204514.db2.gz FQGXFCRJALXHTK-SFHVURJKSA-N 2 1 345.512 2.011 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC3CCCCC3)C2)CC1 ZINC000980477495 774701533 /nfs/dbraw/zinc/70/15/33/774701533.db2.gz HCTUILAZSGDSFQ-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1ncc[nH]1 ZINC001089802382 775829867 /nfs/dbraw/zinc/82/98/67/775829867.db2.gz FJVWNVQSZSQRNI-JONQDZQNSA-N 2 1 348.878 2.264 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001089820976 776964493 /nfs/dbraw/zinc/96/44/93/776964493.db2.gz PZJXTMKTJNOFRJ-WNHJNPCNSA-N 2 1 331.504 2.216 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C2CCC2)C1 ZINC001089820976 776964500 /nfs/dbraw/zinc/96/45/00/776964500.db2.gz PZJXTMKTJNOFRJ-WNHJNPCNSA-N 2 1 331.504 2.216 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C2CCC2)C1 ZINC001089820976 776964510 /nfs/dbraw/zinc/96/45/10/776964510.db2.gz PZJXTMKTJNOFRJ-WNHJNPCNSA-N 2 1 331.504 2.216 20 30 EEEDMP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000981341537 777185898 /nfs/dbraw/zinc/18/58/98/777185898.db2.gz VRZQDIIYOCWWLZ-LSDHHAIUSA-N 2 1 332.448 2.087 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001028152282 778516478 /nfs/dbraw/zinc/51/64/78/778516478.db2.gz QWHQCYSGERVCPG-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028152282 778516481 /nfs/dbraw/zinc/51/64/81/778516481.db2.gz QWHQCYSGERVCPG-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028152282 778516483 /nfs/dbraw/zinc/51/64/83/778516483.db2.gz QWHQCYSGERVCPG-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052583 778999824 /nfs/dbraw/zinc/99/98/24/778999824.db2.gz QSKLKIVEMYBLAR-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163570 779183093 /nfs/dbraw/zinc/18/30/93/779183093.db2.gz HOMTXVFMFRIECT-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164671 779191652 /nfs/dbraw/zinc/19/16/52/779191652.db2.gz WTJQOOGMHIEWCQ-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164671 779191655 /nfs/dbraw/zinc/19/16/55/779191655.db2.gz WTJQOOGMHIEWCQ-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC000982160039 779199402 /nfs/dbraw/zinc/19/94/02/779199402.db2.gz PODXDBSBDYUJRP-UHFFFAOYSA-N 2 1 339.483 2.310 20 30 EEEDMP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)C[C@@H](C)O2 ZINC001111540063 790717770 /nfs/dbraw/zinc/71/77/70/790717770.db2.gz DAOPLAXBHGVMAB-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942172717 781888239 /nfs/dbraw/zinc/88/82/39/781888239.db2.gz MDGGLBBGMHIWGG-HOCLYGCPSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942172717 781888247 /nfs/dbraw/zinc/88/82/47/781888247.db2.gz MDGGLBBGMHIWGG-HOCLYGCPSA-N 2 1 339.911 2.442 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001035260530 784216560 /nfs/dbraw/zinc/21/65/60/784216560.db2.gz YMUPDXAYFIPXQZ-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035260530 784216564 /nfs/dbraw/zinc/21/65/64/784216564.db2.gz YMUPDXAYFIPXQZ-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035260530 784216567 /nfs/dbraw/zinc/21/65/67/784216567.db2.gz YMUPDXAYFIPXQZ-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035721506 785016144 /nfs/dbraw/zinc/01/61/44/785016144.db2.gz AKSVMGXIASVICC-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035772540 785152581 /nfs/dbraw/zinc/15/25/81/785152581.db2.gz FIZPXDGSUYDCJX-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c(OC)c1 ZINC000923346866 789424977 /nfs/dbraw/zinc/42/49/77/789424977.db2.gz WIPCMJVOGYITDA-KZNAEPCWSA-N 2 1 348.487 2.223 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=C)C)C[C@H]3CC2)CC1 ZINC000946901885 789565985 /nfs/dbraw/zinc/56/59/85/789565985.db2.gz HIRWZDMHCFARAD-BGYRXZFFSA-N 2 1 343.515 2.078 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997332172 789605829 /nfs/dbraw/zinc/60/58/29/789605829.db2.gz FDSHGCHHYBOGPP-MJGOQNOKSA-N 2 1 333.520 2.489 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCCC2)C1 ZINC001089908305 789783863 /nfs/dbraw/zinc/78/38/63/789783863.db2.gz SNOBTSQNZKHPNA-VJANTYMQSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997386021 789877619 /nfs/dbraw/zinc/87/76/19/789877619.db2.gz GZZDOGIKUFPWOL-IEBWSBKVSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089910081 789920685 /nfs/dbraw/zinc/92/06/85/789920685.db2.gz YZBFMESIPIYBRC-YVSFHVDLSA-N 2 1 337.895 2.004 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@H]12 ZINC000991879991 791227829 /nfs/dbraw/zinc/22/78/29/791227829.db2.gz BEYHRFFCQOPZFF-PKOBYXMFSA-N 2 1 328.460 2.061 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@H]12 ZINC000991879991 791227836 /nfs/dbraw/zinc/22/78/36/791227836.db2.gz BEYHRFFCQOPZFF-PKOBYXMFSA-N 2 1 328.460 2.061 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001146591861 791360701 /nfs/dbraw/zinc/36/07/01/791360701.db2.gz HPWSWJBBWDUEPF-HUUCEWRRSA-N 2 1 348.466 2.410 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001147724914 791926441 /nfs/dbraw/zinc/92/64/41/791926441.db2.gz NMISSIXXGUBRCK-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001147724914 791926448 /nfs/dbraw/zinc/92/64/48/791926448.db2.gz NMISSIXXGUBRCK-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001147905314 792050591 /nfs/dbraw/zinc/05/05/91/792050591.db2.gz BLKITQIIGLZARS-UHFFFAOYSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001147905314 792050603 /nfs/dbraw/zinc/05/06/03/792050603.db2.gz BLKITQIIGLZARS-UHFFFAOYSA-N 2 1 342.487 2.262 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998164770 792116875 /nfs/dbraw/zinc/11/68/75/792116875.db2.gz JKATUSPDYWTLBG-IBGZPJMESA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938045 793024036 /nfs/dbraw/zinc/02/40/36/793024036.db2.gz GNIICBBSXNLQSE-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@H]12 ZINC000992172637 793055627 /nfs/dbraw/zinc/05/56/27/793055627.db2.gz ALAPOBFMGSCXLD-VDZJLULYSA-N 2 1 328.460 2.053 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@H]12 ZINC000992172637 793055636 /nfs/dbraw/zinc/05/56/36/793055636.db2.gz ALAPOBFMGSCXLD-VDZJLULYSA-N 2 1 328.460 2.053 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992186612 793126433 /nfs/dbraw/zinc/12/64/33/793126433.db2.gz GOWYRWMVPDAKLZ-FFZOFVMBSA-N 2 1 349.494 2.335 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992186612 793126439 /nfs/dbraw/zinc/12/64/39/793126439.db2.gz GOWYRWMVPDAKLZ-FFZOFVMBSA-N 2 1 349.494 2.335 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992186612 793126447 /nfs/dbraw/zinc/12/64/47/793126447.db2.gz GOWYRWMVPDAKLZ-FFZOFVMBSA-N 2 1 349.494 2.335 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092157811 793611655 /nfs/dbraw/zinc/61/16/55/793611655.db2.gz QDHGIGCOSQIPOZ-QUCCMNQESA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992311466 793631672 /nfs/dbraw/zinc/63/16/72/793631672.db2.gz AFOGVCDSDQTBOH-PZJWPPBQSA-N 2 1 339.483 2.498 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C ZINC001092690044 794264273 /nfs/dbraw/zinc/26/42/73/794264273.db2.gz XXYNOGIYBSABFZ-NXHRZFHOSA-N 2 1 345.512 2.030 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C ZINC001092690044 794264279 /nfs/dbraw/zinc/26/42/79/794264279.db2.gz XXYNOGIYBSABFZ-NXHRZFHOSA-N 2 1 345.512 2.030 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccsc2)C[C@H]1C ZINC001092690044 794264285 /nfs/dbraw/zinc/26/42/85/794264285.db2.gz XXYNOGIYBSABFZ-NXHRZFHOSA-N 2 1 345.512 2.030 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccsc2)C[C@H]1C ZINC001092690044 794264289 /nfs/dbraw/zinc/26/42/89/794264289.db2.gz XXYNOGIYBSABFZ-NXHRZFHOSA-N 2 1 345.512 2.030 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=C)C)CC3)CC1 ZINC000992510059 794454331 /nfs/dbraw/zinc/45/43/31/794454331.db2.gz OJENNPQOPALIDL-UYAOXDASSA-N 2 1 329.488 2.021 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999515869 794572118 /nfs/dbraw/zinc/57/21/18/794572118.db2.gz ZRBQVODTJROESL-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036736321 794692000 /nfs/dbraw/zinc/69/20/00/794692000.db2.gz YHTGRCBHBBKLOJ-HUUCEWRRSA-N 2 1 325.884 2.146 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801351 795079287 /nfs/dbraw/zinc/07/92/87/795079287.db2.gz KFEQESFJNHXQGG-DOTOQJQBSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801351 795079293 /nfs/dbraw/zinc/07/92/93/795079293.db2.gz KFEQESFJNHXQGG-DOTOQJQBSA-N 2 1 331.460 2.454 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106727654 796298800 /nfs/dbraw/zinc/29/88/00/796298800.db2.gz OHZSZBAADUPZMP-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902895 796441404 /nfs/dbraw/zinc/44/14/04/796441404.db2.gz RQHGGKKVIRAGSO-AZUAARDMSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC001080997641 796548585 /nfs/dbraw/zinc/54/85/85/796548585.db2.gz HVILARBFPJBRBJ-YLJYHZDGSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001082055438 797142232 /nfs/dbraw/zinc/14/22/32/797142232.db2.gz RXBUPMGZYWKXBW-CEXWTWQISA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001082055438 797142236 /nfs/dbraw/zinc/14/22/36/797142236.db2.gz RXBUPMGZYWKXBW-CEXWTWQISA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082055438 797142241 /nfs/dbraw/zinc/14/22/41/797142241.db2.gz RXBUPMGZYWKXBW-CEXWTWQISA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082055438 797142245 /nfs/dbraw/zinc/14/22/45/797142245.db2.gz RXBUPMGZYWKXBW-CEXWTWQISA-N 2 1 349.519 2.175 20 30 EEEDMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082595832 797605181 /nfs/dbraw/zinc/60/51/81/797605181.db2.gz GWWRKVBUMUZJDP-KBRIMQKVSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082743047 797675541 /nfs/dbraw/zinc/67/55/41/797675541.db2.gz DTLLOEPNKZLFFH-RKVPGOIHSA-N 2 1 325.472 2.212 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089383409 798283493 /nfs/dbraw/zinc/28/34/93/798283493.db2.gz YGEIACDHXHOSEF-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383409 798283497 /nfs/dbraw/zinc/28/34/97/798283497.db2.gz YGEIACDHXHOSEF-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383409 798283498 /nfs/dbraw/zinc/28/34/98/798283498.db2.gz YGEIACDHXHOSEF-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101508 798675277 /nfs/dbraw/zinc/67/52/77/798675277.db2.gz OBIYIPMVGKYQDC-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001177342374 798876575 /nfs/dbraw/zinc/87/65/75/798876575.db2.gz LLTSYPRILQNKDE-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001179337808 799886562 /nfs/dbraw/zinc/88/65/62/799886562.db2.gz YILVNDKXXIMQAM-IHPCNDPISA-N 2 1 339.483 2.101 20 30 EEEDMP CC#CC[NH2+]CCCCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001179929284 800164620 /nfs/dbraw/zinc/16/46/20/800164620.db2.gz BLMQQRCQFXQYJL-UHFFFAOYSA-N 2 1 339.443 2.170 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085377289 800427025 /nfs/dbraw/zinc/42/70/25/800427025.db2.gz QFHSKGCXTMKZQD-IAGOWNOFSA-N 2 1 325.416 2.084 20 30 EEEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832306 801379642 /nfs/dbraw/zinc/37/96/42/801379642.db2.gz BJUDVSACEPDMSM-OTWHNJEPSA-N 2 1 327.472 2.051 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832306 801379651 /nfs/dbraw/zinc/37/96/51/801379651.db2.gz BJUDVSACEPDMSM-OTWHNJEPSA-N 2 1 327.472 2.051 20 30 EEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085832306 801379654 /nfs/dbraw/zinc/37/96/54/801379654.db2.gz BJUDVSACEPDMSM-OTWHNJEPSA-N 2 1 327.472 2.051 20 30 EEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832306 801379661 /nfs/dbraw/zinc/37/96/61/801379661.db2.gz BJUDVSACEPDMSM-OTWHNJEPSA-N 2 1 327.472 2.051 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000073761377 802129314 /nfs/dbraw/zinc/12/93/14/802129314.db2.gz IEMLFUDUUCYFCU-SFHVURJKSA-N 3 1 349.567 2.292 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001004543364 802338620 /nfs/dbraw/zinc/33/86/20/802338620.db2.gz OVXGJUJMGBKAHO-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004543364 802338629 /nfs/dbraw/zinc/33/86/29/802338629.db2.gz OVXGJUJMGBKAHO-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004543364 802338639 /nfs/dbraw/zinc/33/86/39/802338639.db2.gz OVXGJUJMGBKAHO-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185216960 802401955 /nfs/dbraw/zinc/40/19/55/802401955.db2.gz SNWVWHRPHMHPIG-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033162641 802701284 /nfs/dbraw/zinc/70/12/84/802701284.db2.gz UGBQXYZZHWMYPQ-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033162641 802701288 /nfs/dbraw/zinc/70/12/88/802701288.db2.gz UGBQXYZZHWMYPQ-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033162641 802701293 /nfs/dbraw/zinc/70/12/93/802701293.db2.gz UGBQXYZZHWMYPQ-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033162641 802701296 /nfs/dbraw/zinc/70/12/96/802701296.db2.gz UGBQXYZZHWMYPQ-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086365175 802832649 /nfs/dbraw/zinc/83/26/49/802832649.db2.gz HNACMYFOXFNTIT-VGWMRTNUSA-N 2 1 325.884 2.098 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710533 802863841 /nfs/dbraw/zinc/86/38/41/802863841.db2.gz RKPJNWKQHJXFJJ-HDICACEKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001108421697 803533672 /nfs/dbraw/zinc/53/36/72/803533672.db2.gz SQXSPMHTCWCAIR-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421697 803533674 /nfs/dbraw/zinc/53/36/74/803533674.db2.gz SQXSPMHTCWCAIR-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421697 803533677 /nfs/dbraw/zinc/53/36/77/803533677.db2.gz SQXSPMHTCWCAIR-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430086 810849062 /nfs/dbraw/zinc/84/90/62/810849062.db2.gz OQZPWANRDSMXCS-FQEVSTJZSA-N 2 1 339.483 2.151 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CCCC[NH+](C)C)C1 ZINC001130443958 811649280 /nfs/dbraw/zinc/64/92/80/811649280.db2.gz YINMHODCIVWYNM-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001438265863 1090747934 /nfs/dbraw/zinc/74/79/34/1090747934.db2.gz KUCHYNAHCUIFNH-MOPGFXCFSA-N 2 1 342.487 2.321 20 30 EEEDMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001449036714 1094049906 /nfs/dbraw/zinc/04/99/06/1094049906.db2.gz MJOMOOOQFGEKLS-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001444739743 1099616045 /nfs/dbraw/zinc/61/60/45/1099616045.db2.gz BEHZYDPOKSNWLX-WMLDXEAASA-N 2 1 348.516 2.334 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(C#N)c1 ZINC001444978677 1100104604 /nfs/dbraw/zinc/10/46/04/1100104604.db2.gz FKZQPWQVPRKNIE-IBGZPJMESA-N 2 1 342.487 2.321 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001506491430 1114646863 /nfs/dbraw/zinc/64/68/63/1114646863.db2.gz VTSFCSFVRLVWAF-HNNXBMFYSA-N 2 1 326.872 2.407 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001506872350 1114942611 /nfs/dbraw/zinc/94/26/11/1114942611.db2.gz PDZFNKMHKCLENP-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000447564058 242289441 /nfs/dbraw/zinc/28/94/41/242289441.db2.gz UNJCKZJPDWCNGC-ROUUACIJSA-N 2 1 328.460 2.186 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1 ZINC000058330840 279303063 /nfs/dbraw/zinc/30/30/63/279303063.db2.gz BUBBLRNRIZQAEY-GOSISDBHSA-N 2 1 328.460 2.046 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000136300369 463233110 /nfs/dbraw/zinc/23/31/10/463233110.db2.gz ROHMPGXLFKSLCM-HNNXBMFYSA-N 2 1 331.464 2.245 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000136300369 463233113 /nfs/dbraw/zinc/23/31/13/463233113.db2.gz ROHMPGXLFKSLCM-HNNXBMFYSA-N 2 1 331.464 2.245 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)C(C)C ZINC000291605859 464156537 /nfs/dbraw/zinc/15/65/37/464156537.db2.gz JCCMVKZLIXSBAV-AZUAARDMSA-N 2 1 348.535 2.422 20 30 EEEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000187856816 464169350 /nfs/dbraw/zinc/16/93/50/464169350.db2.gz PYXOMOPMHXXVJQ-UHFFFAOYSA-N 2 1 346.353 2.034 20 30 EEEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000187856816 464169356 /nfs/dbraw/zinc/16/93/56/464169356.db2.gz PYXOMOPMHXXVJQ-UHFFFAOYSA-N 2 1 346.353 2.034 20 30 EEEDMP CCCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000264117714 464285542 /nfs/dbraw/zinc/28/55/42/464285542.db2.gz TWOMBWSJYJAXTC-UHFFFAOYSA-N 2 1 331.508 2.029 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000264316293 464295469 /nfs/dbraw/zinc/29/54/69/464295469.db2.gz WDMRQRWFQWGZAH-SJORKVTESA-N 2 1 347.507 2.114 20 30 EEEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264316293 464295474 /nfs/dbraw/zinc/29/54/74/464295474.db2.gz WDMRQRWFQWGZAH-SJORKVTESA-N 3 1 347.507 2.114 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264316293 464295478 /nfs/dbraw/zinc/29/54/78/464295478.db2.gz WDMRQRWFQWGZAH-SJORKVTESA-N 3 1 347.507 2.114 20 30 EEEDMP C=CCOCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000293578330 464411981 /nfs/dbraw/zinc/41/19/81/464411981.db2.gz NMCNOROPTOPBAL-FQEVSTJZSA-N 2 1 329.488 2.081 20 30 EEEDMP C=CCOCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000293578330 464411986 /nfs/dbraw/zinc/41/19/86/464411986.db2.gz NMCNOROPTOPBAL-FQEVSTJZSA-N 2 1 329.488 2.081 20 30 EEEDMP C#CC[N@H+](C)CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000294984927 464670988 /nfs/dbraw/zinc/67/09/88/464670988.db2.gz KWQDYKKLXZEWLP-RBUKOAKNSA-N 2 1 349.906 2.256 20 30 EEEDMP C#CCN(C)CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000294984927 464670995 /nfs/dbraw/zinc/67/09/95/464670995.db2.gz KWQDYKKLXZEWLP-RBUKOAKNSA-N 2 1 349.906 2.256 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329389929 465319246 /nfs/dbraw/zinc/31/92/46/465319246.db2.gz SCWZYMXJRHIFJN-MRXNPFEDSA-N 2 1 331.464 2.296 20 30 EEEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000352429763 465527790 /nfs/dbraw/zinc/52/77/90/465527790.db2.gz BXARFBQXSRGOLQ-UFYCRDLUSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@H]([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000352429763 465527794 /nfs/dbraw/zinc/52/77/94/465527794.db2.gz BXARFBQXSRGOLQ-UFYCRDLUSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@H]([NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000352429763 465527798 /nfs/dbraw/zinc/52/77/98/465527798.db2.gz BXARFBQXSRGOLQ-UFYCRDLUSA-N 2 1 339.483 2.227 20 30 EEEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])NCC(C)C)CC2)cs1 ZINC000304738670 466312871 /nfs/dbraw/zinc/31/28/71/466312871.db2.gz AVRWICDNMCRWTM-UHFFFAOYSA-N 2 1 337.537 2.478 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000497116381 467841930 /nfs/dbraw/zinc/84/19/30/467841930.db2.gz MTSIYBZZXJVTHW-DNVCBOLYSA-N 2 1 335.492 2.483 20 30 EEEDMP N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000576693900 468170000 /nfs/dbraw/zinc/17/00/00/468170000.db2.gz MLVSAZSSEVMPSL-LZQZEXGQSA-N 2 1 340.471 2.166 20 30 EEEDMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595620638 468926270 /nfs/dbraw/zinc/92/62/70/468926270.db2.gz NYZHLJYYYRVIIQ-WMZOPIPTSA-N 2 1 328.460 2.031 20 30 EEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H](C)C1 ZINC000598609615 468931901 /nfs/dbraw/zinc/93/19/01/468931901.db2.gz SXNGJUOHZNTSDK-IKGGRYGDSA-N 2 1 325.497 2.014 20 30 EEEDMP CN(c1nc(C#N)c(Cl)s1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000596126452 469167866 /nfs/dbraw/zinc/16/78/66/469167866.db2.gz STHYLNJHPGVOJM-GFCCVEGCSA-N 2 1 339.896 2.273 20 30 EEEDMP CN(c1nc(C#N)c(Cl)s1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000596126452 469167874 /nfs/dbraw/zinc/16/78/74/469167874.db2.gz STHYLNJHPGVOJM-GFCCVEGCSA-N 2 1 339.896 2.273 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000644531771 470975365 /nfs/dbraw/zinc/97/53/65/470975365.db2.gz IQQKJPNTEOHUTG-VQIMIIECSA-N 2 1 330.472 2.229 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000371085290 526439054 /nfs/dbraw/zinc/43/90/54/526439054.db2.gz GSOVUUAIYFROFE-GOSISDBHSA-N 2 1 328.460 2.123 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000371085290 526439058 /nfs/dbraw/zinc/43/90/58/526439058.db2.gz GSOVUUAIYFROFE-GOSISDBHSA-N 2 1 328.460 2.123 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001020508232 674969833 /nfs/dbraw/zinc/96/98/33/674969833.db2.gz PORZPGOOOLVWPW-QZHFEQFPSA-N 2 1 340.471 2.025 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173998 675876977 /nfs/dbraw/zinc/87/69/77/675876977.db2.gz KMFMIIYVIQCVMK-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173998 675876981 /nfs/dbraw/zinc/87/69/81/675876981.db2.gz KMFMIIYVIQCVMK-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173998 675876984 /nfs/dbraw/zinc/87/69/84/675876984.db2.gz KMFMIIYVIQCVMK-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC000971704789 676748274 /nfs/dbraw/zinc/74/82/74/676748274.db2.gz XNVMOBDSKUWYNR-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC000971704789 676748276 /nfs/dbraw/zinc/74/82/76/676748276.db2.gz XNVMOBDSKUWYNR-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C)cc2)C1 ZINC000971704789 676748278 /nfs/dbraw/zinc/74/82/78/676748278.db2.gz XNVMOBDSKUWYNR-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C)cc2)C1 ZINC000971704789 676748279 /nfs/dbraw/zinc/74/82/79/676748279.db2.gz XNVMOBDSKUWYNR-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971795130 676800043 /nfs/dbraw/zinc/80/00/43/676800043.db2.gz PHPQTGGTUWFVCA-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971795130 676800044 /nfs/dbraw/zinc/80/00/44/676800044.db2.gz PHPQTGGTUWFVCA-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971795130 676800045 /nfs/dbraw/zinc/80/00/45/676800045.db2.gz PHPQTGGTUWFVCA-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000889016064 678622430 /nfs/dbraw/zinc/62/24/30/678622430.db2.gz PHAYESRRERGMKG-WDSOQIARSA-N 2 1 342.487 2.075 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000889016064 678622433 /nfs/dbraw/zinc/62/24/33/678622433.db2.gz PHAYESRRERGMKG-WDSOQIARSA-N 2 1 342.487 2.075 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001023122863 679133765 /nfs/dbraw/zinc/13/37/65/679133765.db2.gz IAJBGCOKTHBHLV-FDCRZUCXSA-N 2 1 340.471 2.168 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023397133 679289632 /nfs/dbraw/zinc/28/96/32/679289632.db2.gz XNURXEGAESMTEX-HNNXBMFYSA-N 2 1 333.501 2.275 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023424131 679300674 /nfs/dbraw/zinc/30/06/74/679300674.db2.gz OWPZZJYERZLZAV-PMACEKPBSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023424131 679300675 /nfs/dbraw/zinc/30/06/75/679300675.db2.gz OWPZZJYERZLZAV-PMACEKPBSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023424131 679300676 /nfs/dbraw/zinc/30/06/76/679300676.db2.gz OWPZZJYERZLZAV-PMACEKPBSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023424131 679300677 /nfs/dbraw/zinc/30/06/77/679300677.db2.gz OWPZZJYERZLZAV-PMACEKPBSA-N 2 1 343.515 2.413 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001023481170 679334614 /nfs/dbraw/zinc/33/46/14/679334614.db2.gz CBLYFSMAOSGWIT-INIZCTEOSA-N 2 1 339.443 2.285 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023647430 679448064 /nfs/dbraw/zinc/44/80/64/679448064.db2.gz ZZRLAUHFAQSCIX-SFHVURJKSA-N 2 1 327.472 2.213 20 30 EEEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001024618233 681286115 /nfs/dbraw/zinc/28/61/15/681286115.db2.gz RTJISMLWQIPDSQ-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025268441 682360232 /nfs/dbraw/zinc/36/02/32/682360232.db2.gz YXRJAMNPLNAWJI-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025268441 682360237 /nfs/dbraw/zinc/36/02/37/682360237.db2.gz YXRJAMNPLNAWJI-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001028906899 682460971 /nfs/dbraw/zinc/46/09/71/682460971.db2.gz YFQZRKHFMLIAOW-MRXNPFEDSA-N 2 1 339.443 2.285 20 30 EEEDMP C[NH+]=C(NCc1cccc(Cl)c1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262423166 685995683 /nfs/dbraw/zinc/99/56/83/685995683.db2.gz GIUKSVUCOUECOF-MRXNPFEDSA-N 2 1 340.924 2.442 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC3CCCC3)C2)CC1 ZINC001027693532 693999867 /nfs/dbraw/zinc/99/98/67/693999867.db2.gz DSBCZGAQSQGHLD-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC000978972908 694068060 /nfs/dbraw/zinc/06/80/60/694068060.db2.gz LWGHODJBTZITTH-XGBSXSJOSA-N 2 1 328.460 2.021 20 30 EEEDMP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001027420175 688041491 /nfs/dbraw/zinc/04/14/91/688041491.db2.gz ZENXEUWWHVGWQH-OWCLPIDISA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001027420175 688041495 /nfs/dbraw/zinc/04/14/95/688041495.db2.gz ZENXEUWWHVGWQH-OWCLPIDISA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001027420175 688041501 /nfs/dbraw/zinc/04/15/01/688041501.db2.gz ZENXEUWWHVGWQH-OWCLPIDISA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001027420175 688041507 /nfs/dbraw/zinc/04/15/07/688041507.db2.gz ZENXEUWWHVGWQH-OWCLPIDISA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001027420175 688041513 /nfs/dbraw/zinc/04/15/13/688041513.db2.gz ZENXEUWWHVGWQH-OWCLPIDISA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001027421059 688059355 /nfs/dbraw/zinc/05/93/55/688059355.db2.gz ILPMJLNXQWYKDO-QGZVFWFLSA-N 2 1 330.476 2.261 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244319 692467011 /nfs/dbraw/zinc/46/70/11/692467011.db2.gz ITVCCYRGXNHGSG-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244319 692467015 /nfs/dbraw/zinc/46/70/15/692467015.db2.gz ITVCCYRGXNHGSG-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040244319 692467020 /nfs/dbraw/zinc/46/70/20/692467020.db2.gz ITVCCYRGXNHGSG-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040245692 692636808 /nfs/dbraw/zinc/63/68/08/692636808.db2.gz WMDSPLYLJRVGMH-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040245692 692636812 /nfs/dbraw/zinc/63/68/12/692636812.db2.gz WMDSPLYLJRVGMH-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040245692 692636815 /nfs/dbraw/zinc/63/68/15/692636815.db2.gz WMDSPLYLJRVGMH-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990685837 693218428 /nfs/dbraw/zinc/21/84/28/693218428.db2.gz MJWUDAJHZNSDKL-XYJFISCASA-N 2 1 337.895 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990685837 693218429 /nfs/dbraw/zinc/21/84/29/693218429.db2.gz MJWUDAJHZNSDKL-XYJFISCASA-N 2 1 337.895 2.194 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(N3CCOCC3)CCCC2)C1 ZINC001027600781 693418391 /nfs/dbraw/zinc/41/83/91/693418391.db2.gz MBYUUYUGEXNOSE-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001089873173 1192176012 /nfs/dbraw/zinc/17/60/12/1192176012.db2.gz PCIOZYWVCQNINM-FJIDUMEYSA-N 2 1 342.487 2.361 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001089873173 1192176014 /nfs/dbraw/zinc/17/60/14/1192176014.db2.gz PCIOZYWVCQNINM-FJIDUMEYSA-N 2 1 342.487 2.361 20 30 EEEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001105487195 1188103876 /nfs/dbraw/zinc/10/38/76/1188103876.db2.gz UHAIEIJTTMWSCY-UHFFFAOYSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577064 1188190981 /nfs/dbraw/zinc/19/09/81/1188190981.db2.gz PVMFZYRIWLQCED-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033539922 1194710581 /nfs/dbraw/zinc/71/05/81/1194710581.db2.gz MVQWMMJLKXSXDD-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033539922 1194710582 /nfs/dbraw/zinc/71/05/82/1194710582.db2.gz MVQWMMJLKXSXDD-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033777372 1195262249 /nfs/dbraw/zinc/26/22/49/1195262249.db2.gz VIFDQZNONZTPBT-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033881463 1195437479 /nfs/dbraw/zinc/43/74/79/1195437479.db2.gz RAWUPYCAKJMIIC-HZPDHXFCSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033881463 1195437484 /nfs/dbraw/zinc/43/74/84/1195437484.db2.gz RAWUPYCAKJMIIC-HZPDHXFCSA-N 2 1 330.476 2.322 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468591 1196255982 /nfs/dbraw/zinc/25/59/82/1196255982.db2.gz RVJYMQSJFLPHGG-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468591 1196255986 /nfs/dbraw/zinc/25/59/86/1196255986.db2.gz RVJYMQSJFLPHGG-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544348 1196371215 /nfs/dbraw/zinc/37/12/15/1196371215.db2.gz QFXLLYADWYBPTP-SFHVURJKSA-N 2 1 327.472 2.356 20 30 EEEDMP C[N@@H+](CC(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1)CC(C)(C)C ZINC001133899839 1199164256 /nfs/dbraw/zinc/16/42/56/1199164256.db2.gz ZVKHJQXVXIJAES-UHFFFAOYSA-N 2 1 349.906 2.375 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001132273003 1199520050 /nfs/dbraw/zinc/52/00/50/1199520050.db2.gz CWWJBKSTGYSONT-KGLIPLIRSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)s1 ZINC001132273003 1199520054 /nfs/dbraw/zinc/52/00/54/1199520054.db2.gz CWWJBKSTGYSONT-KGLIPLIRSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132409868 1199676037 /nfs/dbraw/zinc/67/60/37/1199676037.db2.gz GAPDLVGDJMEWGS-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132409868 1199676043 /nfs/dbraw/zinc/67/60/43/1199676043.db2.gz GAPDLVGDJMEWGS-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001132409868 1199676046 /nfs/dbraw/zinc/67/60/46/1199676046.db2.gz GAPDLVGDJMEWGS-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001132409868 1199676054 /nfs/dbraw/zinc/67/60/54/1199676054.db2.gz GAPDLVGDJMEWGS-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCC=C)C2)CC1 ZINC001132517649 1199800774 /nfs/dbraw/zinc/80/07/74/1199800774.db2.gz GFAOSCIKYVGTMP-PKOBYXMFSA-N 2 1 331.504 2.267 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086700603 1200459225 /nfs/dbraw/zinc/45/92/25/1200459225.db2.gz APWQIUUCXCAEDZ-XUWVNRHRSA-N 2 1 327.900 2.344 20 30 EEEDMP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001133410564 1200880075 /nfs/dbraw/zinc/88/00/75/1200880075.db2.gz NMLZDMAZWDCBIX-KRWDZBQOSA-N 2 1 347.890 2.233 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000884077287 1202226292 /nfs/dbraw/zinc/22/62/92/1202226292.db2.gz HBFPRYAVNQMSMG-ZWKOTPCHSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000884077287 1202226294 /nfs/dbraw/zinc/22/62/94/1202226294.db2.gz HBFPRYAVNQMSMG-ZWKOTPCHSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000884077287 1202226295 /nfs/dbraw/zinc/22/62/95/1202226295.db2.gz HBFPRYAVNQMSMG-ZWKOTPCHSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000884077287 1202226297 /nfs/dbraw/zinc/22/62/97/1202226297.db2.gz HBFPRYAVNQMSMG-ZWKOTPCHSA-N 2 1 334.508 2.038 20 30 EEEDMP C=CCCC[NH2+]C1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC001202729168 1202332718 /nfs/dbraw/zinc/33/27/18/1202332718.db2.gz IVJKGPDFWSBABO-UHFFFAOYSA-N 2 1 349.519 2.178 20 30 EEEDMP C[NH+](C)CCN1C(=O)C2(CC[NH+](CCC#N)CC2)[C@@H]1c1ccccc1 ZINC001274031033 1204336986 /nfs/dbraw/zinc/33/69/86/1204336986.db2.gz FTDIGCYCUNCAAZ-SFHVURJKSA-N 2 1 340.471 2.127 20 30 EEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947857213 1208748243 /nfs/dbraw/zinc/74/82/43/1208748243.db2.gz INQIQUMJVIUGIS-HOCLYGCPSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947857213 1208748244 /nfs/dbraw/zinc/74/82/44/1208748244.db2.gz INQIQUMJVIUGIS-HOCLYGCPSA-N 2 1 325.416 2.036 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)[C@@H](C)C2)CC1 ZINC000948069988 1208853947 /nfs/dbraw/zinc/85/39/47/1208853947.db2.gz LYWHKQXFUUDGCR-PKOBYXMFSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CCO2 ZINC000949114966 1209541427 /nfs/dbraw/zinc/54/14/27/1209541427.db2.gz OESPCANFOKUNLF-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1Br ZINC000303771056 1213903436 /nfs/dbraw/zinc/90/34/36/1213903436.db2.gz CHQIOFVLPWEOBM-ZDUSSCGKSA-N 2 1 339.281 2.338 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000303793034 1213906447 /nfs/dbraw/zinc/90/64/47/1213906447.db2.gz YVVAVDSCTJXGKV-MOPGFXCFSA-N 3 1 343.519 2.212 20 30 EEEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCCC1 ZINC000303793034 1213906455 /nfs/dbraw/zinc/90/64/55/1213906455.db2.gz YVVAVDSCTJXGKV-MOPGFXCFSA-N 2 1 343.519 2.212 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCCC1 ZINC000303793034 1213906467 /nfs/dbraw/zinc/90/64/67/1213906467.db2.gz YVVAVDSCTJXGKV-MOPGFXCFSA-N 2 1 343.519 2.212 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC000957550105 1215202443 /nfs/dbraw/zinc/20/24/43/1215202443.db2.gz JXEYDPVEXULTRR-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961154978 1217061483 /nfs/dbraw/zinc/06/14/83/1217061483.db2.gz ILBJIPJUWXNSEU-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224947 1217096965 /nfs/dbraw/zinc/09/69/65/1217096965.db2.gz FJLWFMNVTLWFBH-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961233211 1217100779 /nfs/dbraw/zinc/10/07/79/1217100779.db2.gz UTVSOAVFBLSZDU-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432208 1217187534 /nfs/dbraw/zinc/18/75/34/1217187534.db2.gz PNXKDCGAPLERPM-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961432208 1217187537 /nfs/dbraw/zinc/18/75/37/1217187537.db2.gz PNXKDCGAPLERPM-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961432208 1217187539 /nfs/dbraw/zinc/18/75/39/1217187539.db2.gz PNXKDCGAPLERPM-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961431867 1217187683 /nfs/dbraw/zinc/18/76/83/1217187683.db2.gz OINHWEBARDZJIT-LJQANCHMSA-N 2 1 343.515 2.056 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961434202 1217188710 /nfs/dbraw/zinc/18/87/10/1217188710.db2.gz ZCHAYYNCUPVZOP-IBGZPJMESA-N 2 1 343.515 2.056 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000961570406 1217226735 /nfs/dbraw/zinc/22/67/35/1217226735.db2.gz XAECJMFKRBMEIH-HCXYKTFWSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000961570406 1217226737 /nfs/dbraw/zinc/22/67/37/1217226737.db2.gz XAECJMFKRBMEIH-HCXYKTFWSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000961570406 1217226740 /nfs/dbraw/zinc/22/67/40/1217226740.db2.gz XAECJMFKRBMEIH-HCXYKTFWSA-N 2 1 331.504 2.406 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314932 1217507230 /nfs/dbraw/zinc/50/72/30/1217507230.db2.gz QIFHEYDBBVDMOU-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000965064960 1218869447 /nfs/dbraw/zinc/86/94/47/1218869447.db2.gz RZJRSKYCXPMLOU-DPGVGJJJSA-N 2 1 325.884 2.240 20 30 EEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1CC ZINC001037952823 1220692229 /nfs/dbraw/zinc/69/22/29/1220692229.db2.gz WVWVOURTKGAKNA-MAUKXSAKSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000968887281 1221646157 /nfs/dbraw/zinc/64/61/57/1221646157.db2.gz AEAFFBYVQLVOGH-OALUTQOASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968887281 1221646159 /nfs/dbraw/zinc/64/61/59/1221646159.db2.gz AEAFFBYVQLVOGH-OALUTQOASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968887281 1221646162 /nfs/dbraw/zinc/64/61/62/1221646162.db2.gz AEAFFBYVQLVOGH-OALUTQOASA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968887680 1221646917 /nfs/dbraw/zinc/64/69/17/1221646917.db2.gz JSQDRQPNIOILJI-RTBURBONSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000968887680 1221646920 /nfs/dbraw/zinc/64/69/20/1221646920.db2.gz JSQDRQPNIOILJI-RTBURBONSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000968887680 1221646923 /nfs/dbraw/zinc/64/69/23/1221646923.db2.gz JSQDRQPNIOILJI-RTBURBONSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000968952607 1221698535 /nfs/dbraw/zinc/69/85/35/1221698535.db2.gz PDDJTKZRVWTMFC-QUCCMNQESA-N 2 1 339.483 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000968952607 1221698538 /nfs/dbraw/zinc/69/85/38/1221698538.db2.gz PDDJTKZRVWTMFC-QUCCMNQESA-N 2 1 339.483 2.092 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC000968956267 1221700506 /nfs/dbraw/zinc/70/05/06/1221700506.db2.gz HIFIIBPXSDPYLO-AABGKKOBSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC000968956267 1221700509 /nfs/dbraw/zinc/70/05/09/1221700509.db2.gz HIFIIBPXSDPYLO-AABGKKOBSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001007520043 1222274945 /nfs/dbraw/zinc/27/49/45/1222274945.db2.gz WTTJKCSNCFCQBY-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001016336655 1226360446 /nfs/dbraw/zinc/36/04/46/1226360446.db2.gz MTMCMXLGGORDMP-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001016654676 1226735514 /nfs/dbraw/zinc/73/55/14/1226735514.db2.gz IZEXOTGXRFUVIR-CVEARBPZSA-N 2 1 328.460 2.307 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039143992 1230362326 /nfs/dbraw/zinc/36/23/26/1230362326.db2.gz FQWBJDNNNRAPDN-UXHICEINSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182170 1230409748 /nfs/dbraw/zinc/40/97/48/1230409748.db2.gz KHGPJPLTWBEDLC-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182170 1230409750 /nfs/dbraw/zinc/40/97/50/1230409750.db2.gz KHGPJPLTWBEDLC-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182170 1230409754 /nfs/dbraw/zinc/40/97/54/1230409754.db2.gz KHGPJPLTWBEDLC-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182914 1230409987 /nfs/dbraw/zinc/40/99/87/1230409987.db2.gz UMZFZDXWTACCCJ-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182914 1230409988 /nfs/dbraw/zinc/40/99/88/1230409988.db2.gz UMZFZDXWTACCCJ-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182914 1230409990 /nfs/dbraw/zinc/40/99/90/1230409990.db2.gz UMZFZDXWTACCCJ-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230370 1230462877 /nfs/dbraw/zinc/46/28/77/1230462877.db2.gz QJPNECLMOIEGCA-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230370 1230462879 /nfs/dbraw/zinc/46/28/79/1230462879.db2.gz QJPNECLMOIEGCA-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244685 1230480037 /nfs/dbraw/zinc/48/00/37/1230480037.db2.gz YQRPYKMTFFGCHS-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244685 1230480041 /nfs/dbraw/zinc/48/00/41/1230480041.db2.gz YQRPYKMTFFGCHS-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313569 1231164608 /nfs/dbraw/zinc/16/46/08/1231164608.db2.gz LLBORBJCBRMQAU-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699991 1231340232 /nfs/dbraw/zinc/34/02/32/1231340232.db2.gz FYVUAVHVFOQPDM-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC[C@H](C)F)CC2 ZINC001040731766 1231351519 /nfs/dbraw/zinc/35/15/19/1231351519.db2.gz NJPFMAYSUAUUSF-ROUUACIJSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC[C@H](C)F)CC2 ZINC001040731766 1231351522 /nfs/dbraw/zinc/35/15/22/1231351522.db2.gz NJPFMAYSUAUUSF-ROUUACIJSA-N 2 1 349.494 2.147 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285144 1231494722 /nfs/dbraw/zinc/49/47/22/1231494722.db2.gz AZMBABZWFLDSPJ-AZUAARDMSA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432790 1231544526 /nfs/dbraw/zinc/54/45/26/1231544526.db2.gz SRAJXUGOTARQJL-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432790 1231544527 /nfs/dbraw/zinc/54/45/27/1231544527.db2.gz SRAJXUGOTARQJL-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041432790 1231544529 /nfs/dbraw/zinc/54/45/29/1231544529.db2.gz SRAJXUGOTARQJL-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769470 1231684793 /nfs/dbraw/zinc/68/47/93/1231684793.db2.gz PWFRSSYVUXJWQJ-HXUWFJFHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297616 1232012900 /nfs/dbraw/zinc/01/29/00/1232012900.db2.gz RYVIDXCAKWJKOV-PKOBYXMFSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CC=C(C)C)[C@@H]3C2)CC1 ZINC001042367568 1232049509 /nfs/dbraw/zinc/04/95/09/1232049509.db2.gz HZVUGUZRPZNQNZ-AZUAARDMSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045944789 1234204911 /nfs/dbraw/zinc/20/49/11/1234204911.db2.gz ILNCUOBJBWELRT-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045944789 1234204914 /nfs/dbraw/zinc/20/49/14/1234204914.db2.gz ILNCUOBJBWELRT-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001045944789 1234204917 /nfs/dbraw/zinc/20/49/17/1234204917.db2.gz ILNCUOBJBWELRT-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001045944789 1234204922 /nfs/dbraw/zinc/20/49/22/1234204922.db2.gz ILNCUOBJBWELRT-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001047250907 1235751189 /nfs/dbraw/zinc/75/11/89/1235751189.db2.gz KSTNVPPITWWWDA-LJQANCHMSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048538911 1237912385 /nfs/dbraw/zinc/91/23/85/1237912385.db2.gz FRSRZMMUKVIDKJ-IYWMVGAKSA-N 2 1 345.531 2.489 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048538911 1237912391 /nfs/dbraw/zinc/91/23/91/1237912391.db2.gz FRSRZMMUKVIDKJ-IYWMVGAKSA-N 2 1 345.531 2.489 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001048538911 1237912398 /nfs/dbraw/zinc/91/23/98/1237912398.db2.gz FRSRZMMUKVIDKJ-IYWMVGAKSA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001048539511 1237913474 /nfs/dbraw/zinc/91/34/74/1237913474.db2.gz QEKNALCIINGKOI-BJWYYQGGSA-N 2 1 336.439 2.249 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048864455 1239075082 /nfs/dbraw/zinc/07/50/82/1239075082.db2.gz ZMEFPQHUFQIWQH-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001048864455 1239075090 /nfs/dbraw/zinc/07/50/90/1239075090.db2.gz ZMEFPQHUFQIWQH-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001048864455 1239075099 /nfs/dbraw/zinc/07/50/99/1239075099.db2.gz ZMEFPQHUFQIWQH-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)CC1 ZINC001000174948 1240027184 /nfs/dbraw/zinc/02/71/84/1240027184.db2.gz SCFRPUKSDKOVFN-SFHVURJKSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001000687128 1240735359 /nfs/dbraw/zinc/73/53/59/1240735359.db2.gz WETJGSXMWBEJOZ-GOSISDBHSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001000687128 1240735363 /nfs/dbraw/zinc/73/53/63/1240735363.db2.gz WETJGSXMWBEJOZ-GOSISDBHSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001000687128 1240735368 /nfs/dbraw/zinc/73/53/68/1240735368.db2.gz WETJGSXMWBEJOZ-GOSISDBHSA-N 2 1 329.488 2.023 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049475698 1241064182 /nfs/dbraw/zinc/06/41/82/1241064182.db2.gz ALTCBVHHHADVHD-ZWKOTPCHSA-N 2 1 336.439 2.345 20 30 EEEDMP CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049475698 1241064187 /nfs/dbraw/zinc/06/41/87/1241064187.db2.gz ALTCBVHHHADVHD-ZWKOTPCHSA-N 2 1 336.439 2.345 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477927 1241073680 /nfs/dbraw/zinc/07/36/80/1241073680.db2.gz KLVLWUAEKJYOFO-QZTJIDSGSA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(CN(C)C)on1 ZINC001049563833 1241431208 /nfs/dbraw/zinc/43/12/08/1241431208.db2.gz HLNPIVDTORUNJK-ROUUACIJSA-N 2 1 346.475 2.381 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049563833 1241431218 /nfs/dbraw/zinc/43/12/18/1241431218.db2.gz HLNPIVDTORUNJK-ROUUACIJSA-N 2 1 346.475 2.381 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049563833 1241431230 /nfs/dbraw/zinc/43/12/30/1241431230.db2.gz HLNPIVDTORUNJK-ROUUACIJSA-N 2 1 346.475 2.381 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001049719913 1241986803 /nfs/dbraw/zinc/98/68/03/1241986803.db2.gz PINVTAFRDWZQJO-GPMSIDNRSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049719913 1241986815 /nfs/dbraw/zinc/98/68/15/1241986815.db2.gz PINVTAFRDWZQJO-GPMSIDNRSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049719913 1241986824 /nfs/dbraw/zinc/98/68/24/1241986824.db2.gz PINVTAFRDWZQJO-GPMSIDNRSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001073821303 1242735573 /nfs/dbraw/zinc/73/55/73/1242735573.db2.gz GMJARGVRZANSPB-IBGZPJMESA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097738061 1244550012 /nfs/dbraw/zinc/55/00/12/1244550012.db2.gz YCKCJIGVRIXIES-AHCXZYCDSA-N 2 1 328.460 2.052 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097738061 1244550020 /nfs/dbraw/zinc/55/00/20/1244550020.db2.gz YCKCJIGVRIXIES-AHCXZYCDSA-N 2 1 328.460 2.052 20 30 EEEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937876 1245516034 /nfs/dbraw/zinc/51/60/34/1245516034.db2.gz OHOLQNJRHUWIFX-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)O2 ZINC001053605836 1246522635 /nfs/dbraw/zinc/52/26/35/1246522635.db2.gz MTCHKEKXQBBXPO-ROUUACIJSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527257 1247489499 /nfs/dbraw/zinc/48/94/99/1247489499.db2.gz VFBPGLRGGVKWFZ-OAHLLOKOSA-N 2 1 325.884 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171471 1247596975 /nfs/dbraw/zinc/59/69/75/1247596975.db2.gz RFWAWZWYKVJGQW-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052654075 1247782942 /nfs/dbraw/zinc/78/29/42/1247782942.db2.gz UNTJZUNDZPFCKE-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052654075 1247782947 /nfs/dbraw/zinc/78/29/47/1247782947.db2.gz UNTJZUNDZPFCKE-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052654075 1247782951 /nfs/dbraw/zinc/78/29/51/1247782951.db2.gz UNTJZUNDZPFCKE-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052654075 1247782954 /nfs/dbraw/zinc/78/29/54/1247782954.db2.gz UNTJZUNDZPFCKE-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@@H](C)O2 ZINC001071243781 1254087557 /nfs/dbraw/zinc/08/75/57/1254087557.db2.gz LGJHASJJIUDLEW-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001101039518 1259603647 /nfs/dbraw/zinc/60/36/47/1259603647.db2.gz PLAXCHRXZFTOAK-UHFFFAOYSA-N 2 1 346.450 2.022 20 30 EEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190177604 1280722833 /nfs/dbraw/zinc/72/28/33/1280722833.db2.gz RBJCEXPOLNMJTM-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190177604 1280722842 /nfs/dbraw/zinc/72/28/42/1280722842.db2.gz RBJCEXPOLNMJTM-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190177604 1280722849 /nfs/dbraw/zinc/72/28/49/1280722849.db2.gz RBJCEXPOLNMJTM-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001191020147 1281180112 /nfs/dbraw/zinc/18/01/12/1281180112.db2.gz UYGZJKDZWCLFKT-IBGZPJMESA-N 2 1 341.499 2.301 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001191020147 1281180122 /nfs/dbraw/zinc/18/01/22/1281180122.db2.gz UYGZJKDZWCLFKT-IBGZPJMESA-N 2 1 341.499 2.301 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001191020147 1281180126 /nfs/dbraw/zinc/18/01/26/1281180126.db2.gz UYGZJKDZWCLFKT-IBGZPJMESA-N 2 1 341.499 2.301 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCO1 ZINC001201238947 1289374053 /nfs/dbraw/zinc/37/40/53/1289374053.db2.gz DUQXAJOHLDYKDU-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211175674 1295728052 /nfs/dbraw/zinc/72/80/52/1295728052.db2.gz AGHBMDLBNSBEEL-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211175674 1295728062 /nfs/dbraw/zinc/72/80/62/1295728062.db2.gz AGHBMDLBNSBEEL-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001214673900 1296553452 /nfs/dbraw/zinc/55/34/52/1296553452.db2.gz KVFOVXHNYWFANZ-ZTFGCOKTSA-N 2 1 345.491 2.193 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001214673900 1296553466 /nfs/dbraw/zinc/55/34/66/1296553466.db2.gz KVFOVXHNYWFANZ-ZTFGCOKTSA-N 2 1 345.491 2.193 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001223257594 1300041022 /nfs/dbraw/zinc/04/10/22/1300041022.db2.gz BBUGOYWVYSHTCC-MRXNPFEDSA-N 2 1 330.476 2.248 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001229895142 1302979385 /nfs/dbraw/zinc/97/93/85/1302979385.db2.gz FGPCLEOTETUBMV-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001229895142 1302979387 /nfs/dbraw/zinc/97/93/87/1302979387.db2.gz FGPCLEOTETUBMV-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)C[N@@H+]1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846328 1303497326 /nfs/dbraw/zinc/49/73/26/1303497326.db2.gz FSZWWMFBUKHTTM-SFHVURJKSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)C[NH+]1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846328 1303497327 /nfs/dbraw/zinc/49/73/27/1303497327.db2.gz FSZWWMFBUKHTTM-SFHVURJKSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)C[NH+]1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846328 1303497333 /nfs/dbraw/zinc/49/73/33/1303497333.db2.gz FSZWWMFBUKHTTM-SFHVURJKSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)C[N@@H+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846327 1303497591 /nfs/dbraw/zinc/49/75/91/1303497591.db2.gz FSZWWMFBUKHTTM-GOSISDBHSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)C[NH+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846327 1303497598 /nfs/dbraw/zinc/49/75/98/1303497598.db2.gz FSZWWMFBUKHTTM-GOSISDBHSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)C[NH+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846327 1303497601 /nfs/dbraw/zinc/49/76/01/1303497601.db2.gz FSZWWMFBUKHTTM-GOSISDBHSA-N 2 1 344.503 2.450 20 30 EEEDMP Cn1c[nH+]cc1N1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277765162 1304368369 /nfs/dbraw/zinc/36/83/69/1304368369.db2.gz BOWFMIUBSXEIOP-IBGZPJMESA-N 2 1 338.459 2.123 20 30 EEEDMP CCCCCCCCCC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307346 1305556691 /nfs/dbraw/zinc/55/66/91/1305556691.db2.gz AQWOSYFAPAXVPG-UHFFFAOYSA-N 3 1 328.545 2.243 20 30 EEEDMP CCCCCCCCCC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307346 1305556701 /nfs/dbraw/zinc/55/67/01/1305556701.db2.gz AQWOSYFAPAXVPG-UHFFFAOYSA-N 3 1 328.545 2.243 20 30 EEEDMP C=CCCCCCCCCC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308921 1305558319 /nfs/dbraw/zinc/55/83/19/1305558319.db2.gz JBYODEZQHBHSRZ-UHFFFAOYSA-N 3 1 340.556 2.409 20 30 EEEDMP C=CCCCCCCCCC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308921 1305558324 /nfs/dbraw/zinc/55/83/24/1305558324.db2.gz JBYODEZQHBHSRZ-UHFFFAOYSA-N 3 1 340.556 2.409 20 30 EEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCCCC1 ZINC001115696059 1305630092 /nfs/dbraw/zinc/63/00/92/1305630092.db2.gz DPUNGOFMGWULIJ-MRXNPFEDSA-N 2 1 330.476 2.349 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448662 1309545355 /nfs/dbraw/zinc/54/53/55/1309545355.db2.gz DCAKGLOWBRLXOD-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001149733774 1316029802 /nfs/dbraw/zinc/02/98/02/1316029802.db2.gz NBFDOBYKJVSOFM-DLBZAZTESA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001149733774 1316029806 /nfs/dbraw/zinc/02/98/06/1316029806.db2.gz NBFDOBYKJVSOFM-DLBZAZTESA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149860766 1316070126 /nfs/dbraw/zinc/07/01/26/1316070126.db2.gz KCONORQMZRNMLT-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149860766 1316070129 /nfs/dbraw/zinc/07/01/29/1316070129.db2.gz KCONORQMZRNMLT-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149860766 1316070133 /nfs/dbraw/zinc/07/01/33/1316070133.db2.gz KCONORQMZRNMLT-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149983026 1316116270 /nfs/dbraw/zinc/11/62/70/1316116270.db2.gz OJBQDZWTJCBIBQ-SFHVURJKSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149983026 1316116272 /nfs/dbraw/zinc/11/62/72/1316116272.db2.gz OJBQDZWTJCBIBQ-SFHVURJKSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150725454 1316354959 /nfs/dbraw/zinc/35/49/59/1316354959.db2.gz VUEJXCMKZGUFAU-SFHVURJKSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150725454 1316354964 /nfs/dbraw/zinc/35/49/64/1316354964.db2.gz VUEJXCMKZGUFAU-SFHVURJKSA-N 2 1 348.491 2.145 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C#N)[NH+](C)C ZINC001155288893 1317539614 /nfs/dbraw/zinc/53/96/14/1317539614.db2.gz FGJFUCNUDORPMT-QAPCUYQASA-N 2 1 330.476 2.225 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C#N)[NH+](C)C ZINC001155288893 1317539617 /nfs/dbraw/zinc/53/96/17/1317539617.db2.gz FGJFUCNUDORPMT-QAPCUYQASA-N 2 1 330.476 2.225 20 30 EEEDMP C=CCOC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001252495159 1317617013 /nfs/dbraw/zinc/61/70/13/1317617013.db2.gz KJNHLFWTXRHREB-OALUTQOASA-N 2 1 332.488 2.440 20 30 EEEDMP C=CCOC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001252495159 1317617016 /nfs/dbraw/zinc/61/70/16/1317617016.db2.gz KJNHLFWTXRHREB-OALUTQOASA-N 2 1 332.488 2.440 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C#N ZINC001156525236 1318052360 /nfs/dbraw/zinc/05/23/60/1318052360.db2.gz KYPIFGBDJWBDGW-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C#N ZINC001156525236 1318052366 /nfs/dbraw/zinc/05/23/66/1318052366.db2.gz KYPIFGBDJWBDGW-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C#N ZINC001156525236 1318052378 /nfs/dbraw/zinc/05/23/78/1318052378.db2.gz KYPIFGBDJWBDGW-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C#N ZINC001156525236 1318052381 /nfs/dbraw/zinc/05/23/81/1318052381.db2.gz KYPIFGBDJWBDGW-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP C#CCOCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529949 1318763899 /nfs/dbraw/zinc/76/38/99/1318763899.db2.gz ZFMPUBLZSMVECM-AZUAARDMSA-N 2 1 330.472 2.296 20 30 EEEDMP C#CCOCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529949 1318763906 /nfs/dbraw/zinc/76/39/06/1318763906.db2.gz ZFMPUBLZSMVECM-AZUAARDMSA-N 2 1 330.472 2.296 20 30 EEEDMP Cn1cc[nH+]c1N([C@H]1COC2(C1)CC[NH2+]CC2)C1CCC(C#N)CC1 ZINC001256966114 1318905335 /nfs/dbraw/zinc/90/53/35/1318905335.db2.gz BODNNPBBNDUTFN-OFLPRAFFSA-N 2 1 343.475 2.220 20 30 EEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001158397215 1319219509 /nfs/dbraw/zinc/21/95/09/1319219509.db2.gz KDKZZRWMVSALAP-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001158397215 1319219519 /nfs/dbraw/zinc/21/95/19/1319219519.db2.gz KDKZZRWMVSALAP-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001158397215 1319219527 /nfs/dbraw/zinc/21/95/27/1319219527.db2.gz KDKZZRWMVSALAP-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001160198191 1320096764 /nfs/dbraw/zinc/09/67/64/1320096764.db2.gz WGWFBKOYXLUTFS-SFHVURJKSA-N 2 1 333.520 2.396 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001160198191 1320096769 /nfs/dbraw/zinc/09/67/69/1320096769.db2.gz WGWFBKOYXLUTFS-SFHVURJKSA-N 2 1 333.520 2.396 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001161585297 1320548329 /nfs/dbraw/zinc/54/83/29/1320548329.db2.gz KXEHDAYWMVAHJE-UHFFFAOYSA-N 2 1 349.438 2.043 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001161585297 1320548331 /nfs/dbraw/zinc/54/83/31/1320548331.db2.gz KXEHDAYWMVAHJE-UHFFFAOYSA-N 2 1 349.438 2.043 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001163820601 1321224786 /nfs/dbraw/zinc/22/47/86/1321224786.db2.gz GMWPREZQXYFDNF-GOSISDBHSA-N 2 1 340.471 2.029 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1)CC(C)(C)C ZINC001166744405 1321779964 /nfs/dbraw/zinc/77/99/64/1321779964.db2.gz VIUVRMZZGHDIKT-UHFFFAOYSA-N 2 1 347.478 2.251 20 30 EEEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166802293 1321789982 /nfs/dbraw/zinc/78/99/82/1321789982.db2.gz JTAVAHWKVFAQSO-GOSISDBHSA-N 2 1 331.504 2.293 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467307 1321886665 /nfs/dbraw/zinc/88/66/65/1321886665.db2.gz ADQYTOJQALOIAD-IRXDYDNUSA-N 2 1 342.487 2.437 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203491854 1321895430 /nfs/dbraw/zinc/89/54/30/1321895430.db2.gz HFKRHBZVIQRGFS-DLBZAZTESA-N 2 1 328.460 2.012 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001206890263 1323673457 /nfs/dbraw/zinc/67/34/57/1323673457.db2.gz JCOABGJDPKTSPF-UHFFFAOYSA-N 2 1 348.516 2.290 20 30 EEEDMP CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001207104196 1323850691 /nfs/dbraw/zinc/85/06/91/1323850691.db2.gz NKITVGQOVFPCQS-IBGZPJMESA-N 2 1 330.476 2.220 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208453692 1324506102 /nfs/dbraw/zinc/50/61/02/1324506102.db2.gz NBRUQRATVQHJOP-ZDUSSCGKSA-N 2 1 346.313 2.206 20 30 EEEDMP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208676893 1324617338 /nfs/dbraw/zinc/61/73/38/1324617338.db2.gz RKLLZXHZZDJUTL-CRAIPNDOSA-N 2 1 349.906 2.350 20 30 EEEDMP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)CN(C)CCc2ccccc2)C1 ZINC001208676893 1324617343 /nfs/dbraw/zinc/61/73/43/1324617343.db2.gz RKLLZXHZZDJUTL-CRAIPNDOSA-N 2 1 349.906 2.350 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC001647559981 1353325799 /nfs/dbraw/zinc/32/57/99/1353325799.db2.gz POLYTWFVCNPVRF-RBUKOAKNSA-N 2 1 343.471 2.010 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC001647559984 1353326085 /nfs/dbraw/zinc/32/60/85/1353326085.db2.gz POLYTWFVCNPVRF-RTBURBONSA-N 2 1 343.471 2.010 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)C[N@H+](C)CCC)CCCC1 ZINC001392025072 1389776176 /nfs/dbraw/zinc/77/61/76/1389776176.db2.gz VKAGPJBYGRQYOR-UHFFFAOYSA-N 2 1 346.313 2.255 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001103758661 1371060589 /nfs/dbraw/zinc/06/05/89/1371060589.db2.gz MWMDNALLELZVBH-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758661 1371060594 /nfs/dbraw/zinc/06/05/94/1371060594.db2.gz MWMDNALLELZVBH-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758661 1371060595 /nfs/dbraw/zinc/06/05/95/1371060595.db2.gz MWMDNALLELZVBH-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP C[C@@H]1C[N@@H+](CCC[NH+]=C(NCc2ccccc2)N(C)C)CCCO1 ZINC000849104688 1373241272 /nfs/dbraw/zinc/24/12/72/1373241272.db2.gz UKWLIYMSOGQSPA-QGZVFWFLSA-N 2 1 332.492 2.195 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001366706611 1374010980 /nfs/dbraw/zinc/01/09/80/1374010980.db2.gz ZDJXJJWAFBBBDZ-MRXNPFEDSA-N 2 1 327.900 2.443 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001366706611 1374010983 /nfs/dbraw/zinc/01/09/83/1374010983.db2.gz ZDJXJJWAFBBBDZ-MRXNPFEDSA-N 2 1 327.900 2.443 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001371365748 1375413362 /nfs/dbraw/zinc/41/33/62/1375413362.db2.gz FHWRLZWSEUODKS-OAHLLOKOSA-N 2 1 339.443 2.173 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001377000307 1378910198 /nfs/dbraw/zinc/91/01/98/1378910198.db2.gz UFXFXFGHCGOJJS-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001377000307 1378910200 /nfs/dbraw/zinc/91/02/00/1378910200.db2.gz UFXFXFGHCGOJJS-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001377000307 1378910201 /nfs/dbraw/zinc/91/02/01/1378910201.db2.gz UFXFXFGHCGOJJS-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001381278059 1381580920 /nfs/dbraw/zinc/58/09/20/1381580920.db2.gz YBBYMUGHCSCPRQ-IAGOWNOFSA-N 2 1 347.890 2.453 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391895165 1389692123 /nfs/dbraw/zinc/69/21/23/1389692123.db2.gz QHCRPONMODYBAN-VQIMIIECSA-N 2 1 342.487 2.275 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001394855983 1390759705 /nfs/dbraw/zinc/75/97/05/1390759705.db2.gz AKHSYKPCTRAQLI-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(C)C[NH2+]CCc1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001752986389 1406589760 /nfs/dbraw/zinc/58/97/60/1406589760.db2.gz UZRUZBNDWGVMOH-UHFFFAOYSA-N 2 1 326.444 2.216 20 30 EEEDMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001755116668 1407126710 /nfs/dbraw/zinc/12/67/10/1407126710.db2.gz SHUZSMZWDHBFBY-HKUYNNGSSA-N 2 1 329.488 2.174 20 30 EEEDMP C[N@@H+](CC#Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001755188659 1407196036 /nfs/dbraw/zinc/19/60/36/1407196036.db2.gz IHUQMKKDIHODPN-UXHICEINSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001755188659 1407196043 /nfs/dbraw/zinc/19/60/43/1407196043.db2.gz IHUQMKKDIHODPN-UXHICEINSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001755188659 1407196045 /nfs/dbraw/zinc/19/60/45/1407196045.db2.gz IHUQMKKDIHODPN-UXHICEINSA-N 2 1 339.483 2.055 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001425979071 1401828340 /nfs/dbraw/zinc/82/83/40/1401828340.db2.gz XVLOJPGEYFMGGM-LPHOPBHVSA-N 2 1 342.487 2.275 20 30 EEEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)C[NH2+]C ZINC001574735468 1403525684 /nfs/dbraw/zinc/52/56/84/1403525684.db2.gz JRELFFQBDNVMTK-LBPRGKRZSA-N 2 1 325.250 2.406 20 30 EEEDMP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001577710968 1403670429 /nfs/dbraw/zinc/67/04/29/1403670429.db2.gz KSSQYAMPUUIPAO-FUHWJXTLSA-N 2 1 334.508 2.368 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC#Cc2ccccc2)C1 ZINC001755389893 1407397014 /nfs/dbraw/zinc/39/70/14/1407397014.db2.gz GSFQHACUBSYASE-GOSISDBHSA-N 2 1 341.499 2.207 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC#Cc2ccccc2)C1 ZINC001755389893 1407397036 /nfs/dbraw/zinc/39/70/36/1407397036.db2.gz GSFQHACUBSYASE-GOSISDBHSA-N 2 1 341.499 2.207 20 30 EEEDMP CC#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001755548196 1407624020 /nfs/dbraw/zinc/62/40/20/1407624020.db2.gz WGMCQMUPVJDXNZ-RTBURBONSA-N 2 1 327.472 2.189 20 30 EEEDMP C#CCN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000686817314 1410394957 /nfs/dbraw/zinc/39/49/57/1410394957.db2.gz MWSQSWNVSNVNGR-UHFFFAOYSA-N 2 1 327.472 2.240 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114988245 759778919 /nfs/dbraw/zinc/77/89/19/759778919.db2.gz AZUXFSARXFYRRS-JJXSEGSLSA-N 2 1 327.900 2.152 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114988245 759778930 /nfs/dbraw/zinc/77/89/30/759778930.db2.gz AZUXFSARXFYRRS-JJXSEGSLSA-N 2 1 327.900 2.152 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458276 760843570 /nfs/dbraw/zinc/84/35/70/760843570.db2.gz AGZNUPGCZKEMAF-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458276 760843584 /nfs/dbraw/zinc/84/35/84/760843584.db2.gz AGZNUPGCZKEMAF-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC001075461576 760934382 /nfs/dbraw/zinc/93/43/82/760934382.db2.gz LKWMREGVFMNZBM-SFHVURJKSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC001075461576 760934387 /nfs/dbraw/zinc/93/43/87/760934387.db2.gz LKWMREGVFMNZBM-SFHVURJKSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461817 760940799 /nfs/dbraw/zinc/94/07/99/760940799.db2.gz SCGPQSMNYYOEOS-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461817 760940806 /nfs/dbraw/zinc/94/08/06/760940806.db2.gz SCGPQSMNYYOEOS-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461817 760940810 /nfs/dbraw/zinc/94/08/10/760940810.db2.gz SCGPQSMNYYOEOS-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC001024443780 761382327 /nfs/dbraw/zinc/38/23/27/761382327.db2.gz PHHISILNJIENJY-FGTMMUONSA-N 2 1 342.487 2.311 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccccc1 ZINC001211635452 761522180 /nfs/dbraw/zinc/52/21/80/761522180.db2.gz ZOKBONMHMUMSAJ-RBUKOAKNSA-N 2 1 338.455 2.352 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089408979 768833484 /nfs/dbraw/zinc/83/34/84/768833484.db2.gz JXCLAAJMOFPXHE-MSOLQXFVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089408979 768833497 /nfs/dbraw/zinc/83/34/97/768833497.db2.gz JXCLAAJMOFPXHE-MSOLQXFVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089408979 768833508 /nfs/dbraw/zinc/83/35/08/768833508.db2.gz JXCLAAJMOFPXHE-MSOLQXFVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089408979 768833518 /nfs/dbraw/zinc/83/35/18/768833518.db2.gz JXCLAAJMOFPXHE-MSOLQXFVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211676970 770102983 /nfs/dbraw/zinc/10/29/83/770102983.db2.gz XJGZDNGSAKTPBQ-RBUKOAKNSA-N 2 1 341.499 2.182 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H](C)C1 ZINC000942717968 783048441 /nfs/dbraw/zinc/04/84/41/783048441.db2.gz AYQDPDYYOIAUED-WBVHZDCISA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942717968 783048444 /nfs/dbraw/zinc/04/84/44/783048444.db2.gz AYQDPDYYOIAUED-WBVHZDCISA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942717968 783048447 /nfs/dbraw/zinc/04/84/47/783048447.db2.gz AYQDPDYYOIAUED-WBVHZDCISA-N 2 1 346.475 2.287 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942721462 783053233 /nfs/dbraw/zinc/05/32/33/783053233.db2.gz LFFIRYOFIDWBEL-PXNSSMCTSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212727 783065378 /nfs/dbraw/zinc/06/53/78/783065378.db2.gz LIVSOHLCIBKKAS-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213134 783066646 /nfs/dbraw/zinc/06/66/46/783066646.db2.gz LVTXSSMZPAFIQG-QYZOEREBSA-N 2 1 327.472 2.256 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213134 783066647 /nfs/dbraw/zinc/06/66/47/783066647.db2.gz LVTXSSMZPAFIQG-QYZOEREBSA-N 2 1 327.472 2.256 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980212165 774103021 /nfs/dbraw/zinc/10/30/21/774103021.db2.gz IGEBEGLMKULNAT-ARFHVFGLSA-N 2 1 328.460 2.164 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717897 774677871 /nfs/dbraw/zinc/67/78/71/774677871.db2.gz HRAAHMIVCQKKSA-GOSISDBHSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052596 778999757 /nfs/dbraw/zinc/99/97/57/778999757.db2.gz RINBGCJCZSLAFC-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000982072143 779058398 /nfs/dbraw/zinc/05/83/98/779058398.db2.gz XYIMOAJCXQXBQS-UHFFFAOYSA-N 2 1 339.483 2.310 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154258 781530283 /nfs/dbraw/zinc/53/02/83/781530283.db2.gz CMDKXGRZVXLXSO-VXGBXAGGSA-N 2 1 341.805 2.060 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087572660 781866711 /nfs/dbraw/zinc/86/67/11/781866711.db2.gz AMGXOJNUBOMZIY-NZSAHSFTSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087572660 781866718 /nfs/dbraw/zinc/86/67/18/781866718.db2.gz AMGXOJNUBOMZIY-NZSAHSFTSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087572660 781866723 /nfs/dbraw/zinc/86/67/23/781866723.db2.gz AMGXOJNUBOMZIY-NZSAHSFTSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(=C)Cl)C1 ZINC001088329442 783523199 /nfs/dbraw/zinc/52/31/99/783523199.db2.gz XMIGKRPWZFGCHN-SJORKVTESA-N 2 1 337.895 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(=C)Cl)C1 ZINC001088329442 783523203 /nfs/dbraw/zinc/52/32/03/783523203.db2.gz XMIGKRPWZFGCHN-SJORKVTESA-N 2 1 337.895 2.197 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575042 783899645 /nfs/dbraw/zinc/89/96/45/783899645.db2.gz OMNINOIJEMVWLJ-MOPGFXCFSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575042 783899649 /nfs/dbraw/zinc/89/96/49/783899649.db2.gz OMNINOIJEMVWLJ-MOPGFXCFSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575042 783899655 /nfs/dbraw/zinc/89/96/55/783899655.db2.gz OMNINOIJEMVWLJ-MOPGFXCFSA-N 2 1 333.520 2.443 20 30 EEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]c3c1CCCC3)CC2 ZINC001035207453 784061637 /nfs/dbraw/zinc/06/16/37/784061637.db2.gz XLCLHWQAPJQWJG-UHFFFAOYSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]c3c1CCCC3)CC2 ZINC001035207453 784061646 /nfs/dbraw/zinc/06/16/46/784061646.db2.gz XLCLHWQAPJQWJG-UHFFFAOYSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CCCCCC[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892576 784695161 /nfs/dbraw/zinc/69/51/61/784695161.db2.gz QECJSTWWSRQVMC-UHFFFAOYSA-N 2 1 327.432 2.333 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135975762 784924922 /nfs/dbraw/zinc/92/49/22/784924922.db2.gz BZJINHLRYCIDRP-DLBZAZTESA-N 2 1 347.478 2.392 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135976502 784925737 /nfs/dbraw/zinc/92/57/37/784925737.db2.gz KNECUBRHYWWAJS-CVEARBPZSA-N 2 1 330.476 2.273 20 30 EEEDMP CCN(CC)c1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000170905840 791134929 /nfs/dbraw/zinc/13/49/29/791134929.db2.gz GNYRRJDWCSSIAZ-SFHVURJKSA-N 2 1 331.508 2.421 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC000995823996 785725064 /nfs/dbraw/zinc/72/50/64/785725064.db2.gz PJKFKMSUDURCHO-FUHWJXTLSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995914869 785838296 /nfs/dbraw/zinc/83/82/96/785838296.db2.gz GEPDSQVPRKJNKY-KGLIPLIRSA-N 2 1 336.867 2.340 20 30 EEEDMP CC(C)(C)[NH+]=C(NCc1ccccc1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000912499556 788210747 /nfs/dbraw/zinc/21/07/47/788210747.db2.gz QVSRWLOARZUUOX-ZWKOTPCHSA-N 2 1 344.503 2.384 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001127066868 788317413 /nfs/dbraw/zinc/31/74/13/788317413.db2.gz UBXZWWLPIRBUHS-GOSISDBHSA-N 2 1 347.890 2.270 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)ccc1F ZINC000825160683 788492975 /nfs/dbraw/zinc/49/29/75/788492975.db2.gz UTIJNUAPPXUXPC-MRXNPFEDSA-N 2 1 346.450 2.185 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109735658 805914321 /nfs/dbraw/zinc/91/43/21/805914321.db2.gz QWLJCKVQLAOYMP-YRXWBPOGSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC(C)C)CC1 ZINC000997149608 789156662 /nfs/dbraw/zinc/15/66/62/789156662.db2.gz QLXBVZADXHXTFK-MJGOQNOKSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC(C)C)CC1 ZINC000997149608 789156667 /nfs/dbraw/zinc/15/66/67/789156667.db2.gz QLXBVZADXHXTFK-MJGOQNOKSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001006002480 789235010 /nfs/dbraw/zinc/23/50/10/789235010.db2.gz XBWYBTHOHZJRJH-GOSISDBHSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(OC)c1 ZINC000923376156 789458511 /nfs/dbraw/zinc/45/85/11/789458511.db2.gz UVLONBNRJKWUIZ-CGTJXYLNSA-N 2 1 348.487 2.080 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCC=C)C[C@H]3CC2)CC1 ZINC000946902608 789556547 /nfs/dbraw/zinc/55/65/47/789556547.db2.gz RANVRHDEKLXLKL-BGYRXZFFSA-N 2 1 343.515 2.078 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091664382 791984930 /nfs/dbraw/zinc/98/49/30/791984930.db2.gz JVIPKQBDFFXHOG-NUJGCVRESA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091664382 791984933 /nfs/dbraw/zinc/98/49/33/791984933.db2.gz JVIPKQBDFFXHOG-NUJGCVRESA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091664382 791984941 /nfs/dbraw/zinc/98/49/41/791984941.db2.gz JVIPKQBDFFXHOG-NUJGCVRESA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091664382 791984944 /nfs/dbraw/zinc/98/49/44/791984944.db2.gz JVIPKQBDFFXHOG-NUJGCVRESA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943942 793449141 /nfs/dbraw/zinc/44/91/41/793449141.db2.gz KYWXWFKRBAKARX-NSHGMRRFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943942 793449148 /nfs/dbraw/zinc/44/91/48/793449148.db2.gz KYWXWFKRBAKARX-NSHGMRRFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943942 793449153 /nfs/dbraw/zinc/44/91/53/793449153.db2.gz KYWXWFKRBAKARX-NSHGMRRFSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304449 793781645 /nfs/dbraw/zinc/78/16/45/793781645.db2.gz JXDJMCBFUYWSTF-SBHAEUEKSA-N 2 1 339.483 2.093 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304449 793781656 /nfs/dbraw/zinc/78/16/56/793781656.db2.gz JXDJMCBFUYWSTF-SBHAEUEKSA-N 2 1 339.483 2.093 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801354 795078730 /nfs/dbraw/zinc/07/87/30/795078730.db2.gz KFEQESFJNHXQGG-WBVHZDCISA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801354 795078733 /nfs/dbraw/zinc/07/87/33/795078733.db2.gz KFEQESFJNHXQGG-WBVHZDCISA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099199997 795239954 /nfs/dbraw/zinc/23/99/54/795239954.db2.gz UQOPJNBYRCZRMT-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(c1ccccc1)N(C)C ZINC001032725280 795259857 /nfs/dbraw/zinc/25/98/57/795259857.db2.gz HXLQOPOPPNKIDA-CMKODMSKSA-N 2 1 327.472 2.325 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001032725280 795259861 /nfs/dbraw/zinc/25/98/61/795259861.db2.gz HXLQOPOPPNKIDA-CMKODMSKSA-N 2 1 327.472 2.325 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001032725280 795259864 /nfs/dbraw/zinc/25/98/64/795259864.db2.gz HXLQOPOPPNKIDA-CMKODMSKSA-N 2 1 327.472 2.325 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001106349528 795431322 /nfs/dbraw/zinc/43/13/22/795431322.db2.gz LZNUSEHWIAXBST-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094414058 796201259 /nfs/dbraw/zinc/20/12/59/796201259.db2.gz RDKRUCMUWNGRNL-NLWGTHIKSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094414058 796201263 /nfs/dbraw/zinc/20/12/63/796201263.db2.gz RDKRUCMUWNGRNL-NLWGTHIKSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094414058 796201272 /nfs/dbraw/zinc/20/12/72/796201272.db2.gz RDKRUCMUWNGRNL-NLWGTHIKSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC001094498076 796291921 /nfs/dbraw/zinc/29/19/21/796291921.db2.gz WYCAFBHAWKGZSD-YVWKXTFCSA-N 2 1 342.487 2.301 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC001094498076 796291927 /nfs/dbraw/zinc/29/19/27/796291927.db2.gz WYCAFBHAWKGZSD-YVWKXTFCSA-N 2 1 342.487 2.301 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726004 796885998 /nfs/dbraw/zinc/88/59/98/796885998.db2.gz QALHYNMPRPNJAR-LSDHHAIUSA-N 2 1 339.911 2.488 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994497164 798098563 /nfs/dbraw/zinc/09/85/63/798098563.db2.gz JTNDFPHDBUEAFR-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565132 798499050 /nfs/dbraw/zinc/49/90/50/798499050.db2.gz STYRXORLDNLFDS-ICSRJNTNSA-N 2 1 341.499 2.254 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565227 798499071 /nfs/dbraw/zinc/49/90/71/798499071.db2.gz URFKTOLRYVLSQB-LSDHHAIUSA-N 2 1 348.516 2.336 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944245 798568122 /nfs/dbraw/zinc/56/81/22/798568122.db2.gz BXAIXYHDPUPBGG-KSZLIROESA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944245 798568128 /nfs/dbraw/zinc/56/81/28/798568128.db2.gz BXAIXYHDPUPBGG-KSZLIROESA-N 2 1 342.487 2.343 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958382 798578079 /nfs/dbraw/zinc/57/80/79/798578079.db2.gz XHRRYJHOKCQPJK-ZACQAIPSSA-N 2 1 328.460 2.259 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958382 798578080 /nfs/dbraw/zinc/57/80/80/798578080.db2.gz XHRRYJHOKCQPJK-ZACQAIPSSA-N 2 1 328.460 2.259 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001176986002 798674389 /nfs/dbraw/zinc/67/43/89/798674389.db2.gz AUEOBTCJAJQDPO-MRXNPFEDSA-N 2 1 334.489 2.090 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177342548 798876647 /nfs/dbraw/zinc/87/66/47/798876647.db2.gz POUWCXIBLFKXJU-IBGZPJMESA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177342548 798876655 /nfs/dbraw/zinc/87/66/55/798876655.db2.gz POUWCXIBLFKXJU-IBGZPJMESA-N 2 1 333.520 2.491 20 30 EEEDMP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003168733 799336006 /nfs/dbraw/zinc/33/60/06/799336006.db2.gz URCRXFRTDVETHA-QGZVFWFLSA-N 2 1 346.500 2.185 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003168733 799336015 /nfs/dbraw/zinc/33/60/15/799336015.db2.gz URCRXFRTDVETHA-QGZVFWFLSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001182401758 801152832 /nfs/dbraw/zinc/15/28/32/801152832.db2.gz MYOIEXBVTJIXTG-IDHHARJASA-N 2 1 330.476 2.014 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001184702138 802137682 /nfs/dbraw/zinc/13/76/82/802137682.db2.gz UGXKCDUUZBBZBK-LSDHHAIUSA-N 2 1 334.464 2.000 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623492 802288088 /nfs/dbraw/zinc/28/80/88/802288088.db2.gz KFELVIYFLVTIRW-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623492 802288096 /nfs/dbraw/zinc/28/80/96/802288096.db2.gz KFELVIYFLVTIRW-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623492 802288100 /nfs/dbraw/zinc/28/81/00/802288100.db2.gz KFELVIYFLVTIRW-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004596528 802450363 /nfs/dbraw/zinc/45/03/63/802450363.db2.gz MWZOLOBQVOPHML-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004596528 802450368 /nfs/dbraw/zinc/45/03/68/802450368.db2.gz MWZOLOBQVOPHML-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004596528 802450374 /nfs/dbraw/zinc/45/03/74/802450374.db2.gz MWZOLOBQVOPHML-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185308467 802453995 /nfs/dbraw/zinc/45/39/95/802453995.db2.gz WLDWXWGGXMJVKQ-AEFFLSMTSA-N 2 1 330.476 2.069 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697471 802837177 /nfs/dbraw/zinc/83/71/77/802837177.db2.gz UDBBVDCYJYRHMQ-HSALFYBXSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001086399741 802896230 /nfs/dbraw/zinc/89/62/30/802896230.db2.gz KPGCEONHOMRXFX-VGWMRTNUSA-N 2 1 325.884 2.240 20 30 EEEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364317 804508783 /nfs/dbraw/zinc/50/87/83/804508783.db2.gz SAUIEVMXKIUSGZ-SFHVURJKSA-N 2 1 339.524 2.306 20 30 EEEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001113365652 808816021 /nfs/dbraw/zinc/81/60/21/808816021.db2.gz SAWCZEUIURVZJB-UXHICEINSA-N 2 1 341.499 2.442 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304063 810817863 /nfs/dbraw/zinc/81/78/63/810817863.db2.gz JOHDBSNXFGBMKE-YIOZNXECSA-N 2 1 330.476 2.409 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304063 810817868 /nfs/dbraw/zinc/81/78/68/810817868.db2.gz JOHDBSNXFGBMKE-YIOZNXECSA-N 2 1 330.476 2.409 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001086659193 812430693 /nfs/dbraw/zinc/43/06/93/812430693.db2.gz NKFHPYKCLOXLAG-JJRVBVJISA-N 2 1 346.500 2.088 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001440395478 1093574260 /nfs/dbraw/zinc/57/42/60/1093574260.db2.gz NGSNZBUQLYKLKV-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001440653200 1093925529 /nfs/dbraw/zinc/92/55/29/1093925529.db2.gz YRQKAVCJTBIIDQ-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001440653200 1093925532 /nfs/dbraw/zinc/92/55/32/1093925532.db2.gz YRQKAVCJTBIIDQ-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001440653200 1093925538 /nfs/dbraw/zinc/92/55/38/1093925538.db2.gz YRQKAVCJTBIIDQ-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000491788274 533146373 /nfs/dbraw/zinc/14/63/73/533146373.db2.gz XFXVIAORXRTQQP-GOSISDBHSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000491788274 533146378 /nfs/dbraw/zinc/14/63/78/533146378.db2.gz XFXVIAORXRTQQP-GOSISDBHSA-N 2 1 339.483 2.065 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C#N)c1 ZINC000058358045 285281015 /nfs/dbraw/zinc/28/10/15/285281015.db2.gz SUWLWYAMNWQTBB-SFHVURJKSA-N 2 1 328.460 2.046 20 30 EEEDMP CC(C)[N@@H+](C)CC1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000533272919 270022540 /nfs/dbraw/zinc/02/25/40/270022540.db2.gz RISJXNZXICJEQB-GOSISDBHSA-N 2 1 328.460 2.137 20 30 EEEDMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000533272919 270022541 /nfs/dbraw/zinc/02/25/41/270022541.db2.gz RISJXNZXICJEQB-GOSISDBHSA-N 2 1 328.460 2.137 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000533272919 270022542 /nfs/dbraw/zinc/02/25/42/270022542.db2.gz RISJXNZXICJEQB-GOSISDBHSA-N 2 1 328.460 2.137 20 30 EEEDMP C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000581370192 324239199 /nfs/dbraw/zinc/23/91/99/324239199.db2.gz MIHNUYAQUYOCKW-GOEBONIOSA-N 2 1 338.459 2.344 20 30 EEEDMP C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000581370192 324239203 /nfs/dbraw/zinc/23/92/03/324239203.db2.gz MIHNUYAQUYOCKW-GOEBONIOSA-N 2 1 338.459 2.344 20 30 EEEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000328784010 465128626 /nfs/dbraw/zinc/12/86/26/465128626.db2.gz GQSIHDHPZZBRFZ-CRAIPNDOSA-N 2 1 347.507 2.405 20 30 EEEDMP C=CC[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(Cl)s1 ZINC000262026603 463928065 /nfs/dbraw/zinc/92/80/65/463928065.db2.gz GNPLICMVOSBYQP-UHFFFAOYSA-N 2 1 327.881 2.211 20 30 EEEDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000293637645 464415572 /nfs/dbraw/zinc/41/55/72/464415572.db2.gz ROAUZZMQQHZTHA-VQTJNVASSA-N 2 1 326.488 2.428 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245897802 464524358 /nfs/dbraw/zinc/52/43/58/464524358.db2.gz PKQIIECNAAFTQD-IRXDYDNUSA-N 2 1 332.492 2.488 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245897802 464524362 /nfs/dbraw/zinc/52/43/62/464524362.db2.gz PKQIIECNAAFTQD-IRXDYDNUSA-N 2 1 332.492 2.488 20 30 EEEDMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1C#N ZINC000281791976 464587349 /nfs/dbraw/zinc/58/73/49/464587349.db2.gz UPLCCGCJFWDXAR-ROUUACIJSA-N 2 1 329.444 2.034 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000295122471 464714229 /nfs/dbraw/zinc/71/42/29/464714229.db2.gz YUNQXCRVXLJBMN-HNNXBMFYSA-N 2 1 337.489 2.054 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000295122471 464714231 /nfs/dbraw/zinc/71/42/31/464714231.db2.gz YUNQXCRVXLJBMN-HNNXBMFYSA-N 2 1 337.489 2.054 20 30 EEEDMP C=CC[N@@H+](CCc1ccco1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000352700012 465550561 /nfs/dbraw/zinc/55/05/61/465550561.db2.gz KAXMQWSNEBPLDK-UHFFFAOYSA-N 2 1 333.476 2.299 20 30 EEEDMP C=CC[N@H+](CCc1ccco1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000352700012 465550571 /nfs/dbraw/zinc/55/05/71/465550571.db2.gz KAXMQWSNEBPLDK-UHFFFAOYSA-N 2 1 333.476 2.299 20 30 EEEDMP CCC[NH+]1CCC([NH+]=C([O-])N2CCC[C@@H]2Cn2ccnc2C)CC1 ZINC000330178300 465559306 /nfs/dbraw/zinc/55/93/06/465559306.db2.gz DPDLMDGOPGIJLP-QGZVFWFLSA-N 2 1 333.480 2.444 20 30 EEEDMP CCC[NH+]1CCC([NH+]=C([O-])N2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000330178300 465559313 /nfs/dbraw/zinc/55/93/13/465559313.db2.gz DPDLMDGOPGIJLP-QGZVFWFLSA-N 2 1 333.480 2.444 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000514856115 467958637 /nfs/dbraw/zinc/95/86/37/467958637.db2.gz RKDPAVDOWXJGNX-IBGZPJMESA-N 2 1 330.472 2.371 20 30 EEEDMP N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000576693898 468169970 /nfs/dbraw/zinc/16/99/70/468169970.db2.gz MLVSAZSSEVMPSL-ATZDWAIDSA-N 2 1 340.471 2.166 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](CC#N)C3)CC2)CC1 ZINC000597904809 468707110 /nfs/dbraw/zinc/70/71/10/468707110.db2.gz ULVLDIYLXDWRHG-QGZVFWFLSA-N 2 1 346.519 2.335 20 30 EEEDMP CC[C@@H](C#N)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000593510702 469010841 /nfs/dbraw/zinc/01/08/41/469010841.db2.gz WRSNMMFRYXEGOA-KRWDZBQOSA-N 2 1 334.508 2.191 20 30 EEEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000447534237 536406508 /nfs/dbraw/zinc/40/65/08/536406508.db2.gz VSIGDUGJFDIJSC-HKUYNNGSSA-N 2 1 340.471 2.246 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCCC)CC1 ZINC000969156365 674647831 /nfs/dbraw/zinc/64/78/31/674647831.db2.gz RBYPKRJYIBYIFO-LJQANCHMSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](F)CC)CC1 ZINC001021469822 676118755 /nfs/dbraw/zinc/11/87/55/676118755.db2.gz OJWDKUHWOOUHIZ-MVCQKVDPSA-N 2 1 349.494 2.191 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969832117 675236616 /nfs/dbraw/zinc/23/66/16/675236616.db2.gz DWKHIJLUENGQAQ-QFBILLFUSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021680407 676336411 /nfs/dbraw/zinc/33/64/11/676336411.db2.gz BJFFUJINEFUUOY-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021680407 676336413 /nfs/dbraw/zinc/33/64/13/676336413.db2.gz BJFFUJINEFUUOY-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021683586 676339849 /nfs/dbraw/zinc/33/98/49/676339849.db2.gz ZWEOEKPKPDKBBC-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021683586 676339851 /nfs/dbraw/zinc/33/98/51/676339851.db2.gz ZWEOEKPKPDKBBC-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021715183 676371900 /nfs/dbraw/zinc/37/19/00/676371900.db2.gz DQIDKCQJTPHVKZ-HZPDHXFCSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021715183 676371901 /nfs/dbraw/zinc/37/19/01/676371901.db2.gz DQIDKCQJTPHVKZ-HZPDHXFCSA-N 2 1 337.895 2.148 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)CCC1 ZINC000971679810 676735382 /nfs/dbraw/zinc/73/53/82/676735382.db2.gz VLOYNUPUEHURLQ-AWEZNQCLSA-N 2 1 346.500 2.137 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)C(C)C ZINC000891939758 677721201 /nfs/dbraw/zinc/72/12/01/677721201.db2.gz DUKWSQYVBTVFLM-KZNAEPCWSA-N 2 1 334.508 2.031 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001022596776 677976662 /nfs/dbraw/zinc/97/66/62/677976662.db2.gz TXIQOOOLSAIMKD-ZQDZILKHSA-N 2 1 346.500 2.087 20 30 EEEDMP CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC000972265308 678468751 /nfs/dbraw/zinc/46/87/51/678468751.db2.gz MMEHMCMHABPMEZ-WMLDXEAASA-N 2 1 348.516 2.239 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414666 679297999 /nfs/dbraw/zinc/29/79/99/679297999.db2.gz XXEHUCJZEHZBMI-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414666 679298000 /nfs/dbraw/zinc/29/80/00/679298000.db2.gz XXEHUCJZEHZBMI-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000262829449 679555802 /nfs/dbraw/zinc/55/58/02/679555802.db2.gz RDLNOGVOVZKFSS-SLEUVZQESA-N 2 1 340.393 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024022404 679765144 /nfs/dbraw/zinc/76/51/44/679765144.db2.gz XGYZILXTQMHPDH-HKUYNNGSSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024022404 679765145 /nfs/dbraw/zinc/76/51/45/679765145.db2.gz XGYZILXTQMHPDH-HKUYNNGSSA-N 2 1 345.531 2.348 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001024901628 681561971 /nfs/dbraw/zinc/56/19/71/681561971.db2.gz YNQIGGAZMCRPLS-RHSMWYFYSA-N 2 1 346.500 2.185 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028542067 681865407 /nfs/dbraw/zinc/86/54/07/681865407.db2.gz KWCGINFOYODDOH-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028542067 681865412 /nfs/dbraw/zinc/86/54/12/681865412.db2.gz KWCGINFOYODDOH-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028542067 681865422 /nfs/dbraw/zinc/86/54/22/681865422.db2.gz KWCGINFOYODDOH-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768175 682165582 /nfs/dbraw/zinc/16/55/82/682165582.db2.gz WLDUUMPUKRMDKB-SJORKVTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768175 682165588 /nfs/dbraw/zinc/16/55/88/682165588.db2.gz WLDUUMPUKRMDKB-SJORKVTESA-N 2 1 330.476 2.158 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240040 682295957 /nfs/dbraw/zinc/29/59/57/682295957.db2.gz KPTIEFIKIIYXJW-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240040 682295960 /nfs/dbraw/zinc/29/59/60/682295960.db2.gz KPTIEFIKIIYXJW-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]12 ZINC001026299545 684218837 /nfs/dbraw/zinc/21/88/37/684218837.db2.gz WOVKVTOJKIADKW-BPQIPLTHSA-N 2 1 331.504 2.099 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985328746 686336746 /nfs/dbraw/zinc/33/67/46/686336746.db2.gz XQQOKEKXXXOWEB-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985328746 686336751 /nfs/dbraw/zinc/33/67/51/686336751.db2.gz XQQOKEKXXXOWEB-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000985328746 686336759 /nfs/dbraw/zinc/33/67/59/686336759.db2.gz XQQOKEKXXXOWEB-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001027420161 688040320 /nfs/dbraw/zinc/04/03/20/688040320.db2.gz QMAWKVMOWJHHCQ-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001027420161 688040333 /nfs/dbraw/zinc/04/03/33/688040333.db2.gz QMAWKVMOWJHHCQ-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001027420161 688040340 /nfs/dbraw/zinc/04/03/40/688040340.db2.gz QMAWKVMOWJHHCQ-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001027420161 688040345 /nfs/dbraw/zinc/04/03/45/688040345.db2.gz QMAWKVMOWJHHCQ-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075905928 1187499508 /nfs/dbraw/zinc/49/95/08/1187499508.db2.gz BQBFBNMBBPTCDG-HRCADAONSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075905928 1187499510 /nfs/dbraw/zinc/49/95/10/1187499510.db2.gz BQBFBNMBBPTCDG-HRCADAONSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075905928 1187499514 /nfs/dbraw/zinc/49/95/14/1187499514.db2.gz BQBFBNMBBPTCDG-HRCADAONSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075905928 1187499519 /nfs/dbraw/zinc/49/95/19/1187499519.db2.gz BQBFBNMBBPTCDG-HRCADAONSA-N 2 1 325.884 2.146 20 30 EEEDMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccccc1C#N ZINC001409684862 1190186119 /nfs/dbraw/zinc/18/61/19/1190186119.db2.gz KKHJPPLVCKGUGU-QGZVFWFLSA-N 2 1 342.487 2.371 20 30 EEEDMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1C#N ZINC001409684862 1190186120 /nfs/dbraw/zinc/18/61/20/1190186120.db2.gz KKHJPPLVCKGUGU-QGZVFWFLSA-N 2 1 342.487 2.371 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808956 1194417004 /nfs/dbraw/zinc/41/70/04/1194417004.db2.gz VFNOBUQUCSJKMF-AQNXPRMDSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819261 1194445618 /nfs/dbraw/zinc/44/56/18/1194445618.db2.gz YMVQCQJPEARULH-FCGDIQPGSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946819261 1194445620 /nfs/dbraw/zinc/44/56/20/1194445620.db2.gz YMVQCQJPEARULH-FCGDIQPGSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946819261 1194445623 /nfs/dbraw/zinc/44/56/23/1194445623.db2.gz YMVQCQJPEARULH-FCGDIQPGSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398954 1196189776 /nfs/dbraw/zinc/18/97/76/1196189776.db2.gz PRVZYKYONIODRD-APWZRJJASA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398954 1196189778 /nfs/dbraw/zinc/18/97/78/1196189778.db2.gz PRVZYKYONIODRD-APWZRJJASA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398954 1196189783 /nfs/dbraw/zinc/18/97/83/1196189783.db2.gz PRVZYKYONIODRD-APWZRJJASA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544347 1196371127 /nfs/dbraw/zinc/37/11/27/1196371127.db2.gz QFXLLYADWYBPTP-GOSISDBHSA-N 2 1 327.472 2.356 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001034607886 1196430284 /nfs/dbraw/zinc/43/02/84/1196430284.db2.gz AYIMVJUWXJGPJG-FHWLQOOXSA-N 2 1 340.471 2.169 20 30 EEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335869 1199584533 /nfs/dbraw/zinc/58/45/33/1199584533.db2.gz VOTFRKHGNNOFPM-IAGOWNOFSA-N 2 1 330.476 2.389 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335869 1199584536 /nfs/dbraw/zinc/58/45/36/1199584536.db2.gz VOTFRKHGNNOFPM-IAGOWNOFSA-N 2 1 330.476 2.389 20 30 EEEDMP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607830 1199700583 /nfs/dbraw/zinc/70/05/83/1199700583.db2.gz MFNDXNWYCPUIOI-ZIAGYGMSSA-N 2 1 348.516 2.477 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132441676 1199725692 /nfs/dbraw/zinc/72/56/92/1199725692.db2.gz SODRFLKDUGVMNN-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132441676 1199725698 /nfs/dbraw/zinc/72/56/98/1199725698.db2.gz SODRFLKDUGVMNN-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132441676 1199725704 /nfs/dbraw/zinc/72/57/04/1199725704.db2.gz SODRFLKDUGVMNN-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132441676 1199725709 /nfs/dbraw/zinc/72/57/09/1199725709.db2.gz SODRFLKDUGVMNN-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@H]1C ZINC001133118758 1200473865 /nfs/dbraw/zinc/47/38/65/1200473865.db2.gz XJMGPDMUYFQIMP-HZPDHXFCSA-N 2 1 346.475 2.144 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133142272 1200495593 /nfs/dbraw/zinc/49/55/93/1200495593.db2.gz NDGHJPMXLIONJQ-DLBZAZTESA-N 2 1 330.476 2.104 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001133407676 1200874910 /nfs/dbraw/zinc/87/49/10/1200874910.db2.gz LTAPMZWHCPJRQP-QGZVFWFLSA-N 2 1 347.890 2.233 20 30 EEEDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001275968850 1205608094 /nfs/dbraw/zinc/60/80/94/1205608094.db2.gz PWDILDWKENKWLV-UHFFFAOYSA-N 2 1 326.488 2.408 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947362846 1208546814 /nfs/dbraw/zinc/54/68/14/1208546814.db2.gz ZMLYZEUWQIXOFM-GDBMZVCRSA-N 2 1 333.501 2.416 20 30 EEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000947722017 1208686401 /nfs/dbraw/zinc/68/64/01/1208686401.db2.gz CVCXKWGHWHNJNE-CABCVRRESA-N 2 1 332.448 2.039 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000947722017 1208686403 /nfs/dbraw/zinc/68/64/03/1208686403.db2.gz CVCXKWGHWHNJNE-CABCVRRESA-N 2 1 332.448 2.039 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000948038959 1208834492 /nfs/dbraw/zinc/83/44/92/1208834492.db2.gz CRAMYVLGSUMCNQ-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(=C)C)[C@@H](C)C2)CC1 ZINC000948070697 1208853998 /nfs/dbraw/zinc/85/39/98/1208853998.db2.gz RHDXROGRYHQFOZ-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000948389866 1209108061 /nfs/dbraw/zinc/10/80/61/1209108061.db2.gz ZNBQUPVCVYZUOY-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000948389866 1209108064 /nfs/dbraw/zinc/10/80/64/1209108064.db2.gz ZNBQUPVCVYZUOY-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000948389866 1209108065 /nfs/dbraw/zinc/10/80/65/1209108065.db2.gz ZNBQUPVCVYZUOY-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000948389866 1209108067 /nfs/dbraw/zinc/10/80/67/1209108067.db2.gz ZNBQUPVCVYZUOY-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948436611 1209137311 /nfs/dbraw/zinc/13/73/11/1209137311.db2.gz XSQRFFBXKOQDNR-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948436611 1209137314 /nfs/dbraw/zinc/13/73/14/1209137314.db2.gz XSQRFFBXKOQDNR-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948436611 1209137316 /nfs/dbraw/zinc/13/73/16/1209137316.db2.gz XSQRFFBXKOQDNR-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000948642302 1209269112 /nfs/dbraw/zinc/26/91/12/1209269112.db2.gz FRWZRFYTMTXRAB-LJQANCHMSA-N 2 1 341.499 2.350 20 30 EEEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000949529343 1209729485 /nfs/dbraw/zinc/72/94/85/1209729485.db2.gz PTMNJWJRNWELOM-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP CCN(CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccccc1C ZINC000303907470 1213924378 /nfs/dbraw/zinc/92/43/78/1213924378.db2.gz WVUYRGNQJZZDHE-KRWDZBQOSA-N 2 1 331.508 2.210 20 30 EEEDMP CN1CC[N@@H+](CCCNC(=[NH2+])NCC2CCC2)[C@@H](c2ccccc2)C1 ZINC000303908973 1213924246 /nfs/dbraw/zinc/92/42/46/1213924246.db2.gz XZOPHDQPPZDCDL-LJQANCHMSA-N 2 1 343.519 2.070 20 30 EEEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])NCC2CCC2)[C@@H](c2ccccc2)C1 ZINC000303908973 1213924256 /nfs/dbraw/zinc/92/42/56/1213924256.db2.gz XZOPHDQPPZDCDL-LJQANCHMSA-N 2 1 343.519 2.070 20 30 EEEDMP C[N@H+]1CCN(CCCNC(=[NH2+])NCC2CCC2)[C@@H](c2ccccc2)C1 ZINC000303908973 1213924260 /nfs/dbraw/zinc/92/42/60/1213924260.db2.gz XZOPHDQPPZDCDL-LJQANCHMSA-N 2 1 343.519 2.070 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957603063 1215248637 /nfs/dbraw/zinc/24/86/37/1215248637.db2.gz MRUAKDWLZPBGFF-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001015794432 1225676623 /nfs/dbraw/zinc/67/66/23/1225676623.db2.gz GRHMYKOWJMRJRJ-HNNXBMFYSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001015794432 1225676628 /nfs/dbraw/zinc/67/66/28/1225676628.db2.gz GRHMYKOWJMRJRJ-HNNXBMFYSA-N 2 1 346.500 2.042 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961188432 1217077424 /nfs/dbraw/zinc/07/74/24/1217077424.db2.gz VLLHKNSTQQCHOQ-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961219767 1217094874 /nfs/dbraw/zinc/09/48/74/1217094874.db2.gz KEUGGVULIMHXLC-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961410819 1217179330 /nfs/dbraw/zinc/17/93/30/1217179330.db2.gz JJRATWNIPVTAPF-OALUTQOASA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1CC ZINC001037872895 1219733162 /nfs/dbraw/zinc/73/31/62/1219733162.db2.gz NLCRRRPXWDDPTG-FUHWJXTLSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887991 1221647387 /nfs/dbraw/zinc/64/73/87/1221647387.db2.gz OWSXCVMQHSCNQI-IAGOWNOFSA-N 2 1 328.460 2.145 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887991 1221647389 /nfs/dbraw/zinc/64/73/89/1221647389.db2.gz OWSXCVMQHSCNQI-IAGOWNOFSA-N 2 1 328.460 2.145 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC000968954361 1221699414 /nfs/dbraw/zinc/69/94/14/1221699414.db2.gz IBXKSJFENXOJJL-UXHICEINSA-N 2 1 339.483 2.037 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC000968954361 1221699416 /nfs/dbraw/zinc/69/94/16/1221699416.db2.gz IBXKSJFENXOJJL-UXHICEINSA-N 2 1 339.483 2.037 20 30 EEEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000968997978 1221728963 /nfs/dbraw/zinc/72/89/63/1221728963.db2.gz HQTSLZYAJGHGCK-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000968997978 1221728966 /nfs/dbraw/zinc/72/89/66/1221728966.db2.gz HQTSLZYAJGHGCK-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000968997978 1221728969 /nfs/dbraw/zinc/72/89/69/1221728969.db2.gz HQTSLZYAJGHGCK-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277169 1222730748 /nfs/dbraw/zinc/73/07/48/1222730748.db2.gz SZRQNPXEQGGTJP-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277169 1222730751 /nfs/dbraw/zinc/73/07/51/1222730751.db2.gz SZRQNPXEQGGTJP-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008277169 1222730756 /nfs/dbraw/zinc/73/07/56/1222730756.db2.gz SZRQNPXEQGGTJP-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008277169 1222730759 /nfs/dbraw/zinc/73/07/59/1222730759.db2.gz SZRQNPXEQGGTJP-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016625928 1226700358 /nfs/dbraw/zinc/70/03/58/1226700358.db2.gz QAEHULCPEDAWRR-MJGOQNOKSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016788537 1226878500 /nfs/dbraw/zinc/87/85/00/1226878500.db2.gz ZRAVCLJKKTUUKI-RBUKOAKNSA-N 2 1 343.515 2.387 20 30 EEEDMP N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001020237947 1229574193 /nfs/dbraw/zinc/57/41/93/1229574193.db2.gz IQTDGTFGAPNNCO-BZSNNMDCSA-N 2 1 349.438 2.069 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156955 1230377176 /nfs/dbraw/zinc/37/71/76/1230377176.db2.gz ZWFWERJWJZLONJ-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235686 1230469013 /nfs/dbraw/zinc/46/90/13/1230469013.db2.gz ZEDUUFYADLPKSW-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244692 1230479720 /nfs/dbraw/zinc/47/97/20/1230479720.db2.gz YQRPYKMTFFGCHS-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244692 1230479722 /nfs/dbraw/zinc/47/97/22/1230479722.db2.gz YQRPYKMTFFGCHS-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001039312119 1230521663 /nfs/dbraw/zinc/52/16/63/1230521663.db2.gz LDDUSHYMMIQZNH-QBUWPKIASA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040232778 1231119996 /nfs/dbraw/zinc/11/99/96/1231119996.db2.gz UEGBKAAHMAUOQU-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040232778 1231119999 /nfs/dbraw/zinc/11/99/99/1231119999.db2.gz UEGBKAAHMAUOQU-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040232778 1231120002 /nfs/dbraw/zinc/12/00/02/1231120002.db2.gz UEGBKAAHMAUOQU-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040242716 1231128424 /nfs/dbraw/zinc/12/84/24/1231128424.db2.gz ZZFNMTASECDMAG-FPOVZHCZSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040242716 1231128430 /nfs/dbraw/zinc/12/84/30/1231128430.db2.gz ZZFNMTASECDMAG-FPOVZHCZSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040242716 1231128435 /nfs/dbraw/zinc/12/84/35/1231128435.db2.gz ZZFNMTASECDMAG-FPOVZHCZSA-N 2 1 343.515 2.341 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001040396533 1231207166 /nfs/dbraw/zinc/20/71/66/1231207166.db2.gz VFFFMICXFRPNLT-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001040396533 1231207168 /nfs/dbraw/zinc/20/71/68/1231207168.db2.gz VFFFMICXFRPNLT-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001040948700 1231408321 /nfs/dbraw/zinc/40/83/21/1231408321.db2.gz XGDAQHSJBGDARC-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782581 1231691981 /nfs/dbraw/zinc/69/19/81/1231691981.db2.gz AQFGJVQUQRTPPC-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782581 1231691983 /nfs/dbraw/zinc/69/19/83/1231691983.db2.gz AQFGJVQUQRTPPC-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782581 1231691986 /nfs/dbraw/zinc/69/19/86/1231691986.db2.gz AQFGJVQUQRTPPC-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041792150 1231696889 /nfs/dbraw/zinc/69/68/89/1231696889.db2.gz WPYBJMXADISQDQ-IBGZPJMESA-N 2 1 328.460 2.262 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041792150 1231696891 /nfs/dbraw/zinc/69/68/91/1231696891.db2.gz WPYBJMXADISQDQ-IBGZPJMESA-N 2 1 328.460 2.262 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001045943308 1234202303 /nfs/dbraw/zinc/20/23/03/1234202303.db2.gz HUMZONFXKRFBAN-FXAWDEMLSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001045943308 1234202308 /nfs/dbraw/zinc/20/23/08/1234202308.db2.gz HUMZONFXKRFBAN-FXAWDEMLSA-N 2 1 340.471 2.098 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001046951492 1235347680 /nfs/dbraw/zinc/34/76/80/1235347680.db2.gz MMZMSRANBWCQMU-MGPQQGTHSA-N 2 1 338.402 2.163 20 30 EEEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001046951492 1235347684 /nfs/dbraw/zinc/34/76/84/1235347684.db2.gz MMZMSRANBWCQMU-MGPQQGTHSA-N 2 1 338.402 2.163 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001046951492 1235347686 /nfs/dbraw/zinc/34/76/86/1235347686.db2.gz MMZMSRANBWCQMU-MGPQQGTHSA-N 2 1 338.402 2.163 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047245277 1235737241 /nfs/dbraw/zinc/73/72/41/1235737241.db2.gz YDRLSTJWILTOEI-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047250002 1235749634 /nfs/dbraw/zinc/74/96/34/1235749634.db2.gz YPTJLIMBLIBZFH-YSIASYRMSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001048526032 1237864827 /nfs/dbraw/zinc/86/48/27/1237864827.db2.gz MXUSSNWEFJDATM-QXCFHYIPSA-N 2 1 331.504 2.264 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583164 1238023179 /nfs/dbraw/zinc/02/31/79/1238023179.db2.gz DWACDOHKJYDAAW-LTFPLMDUSA-N 2 1 345.531 2.489 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048864454 1239074129 /nfs/dbraw/zinc/07/41/29/1239074129.db2.gz ZMEFPQHUFQIWQH-SCTDSRPQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001048864454 1239074138 /nfs/dbraw/zinc/07/41/38/1239074138.db2.gz ZMEFPQHUFQIWQH-SCTDSRPQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001048864454 1239074149 /nfs/dbraw/zinc/07/41/49/1239074149.db2.gz ZMEFPQHUFQIWQH-SCTDSRPQSA-N 2 1 331.504 2.360 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)CC1 ZINC001000248711 1240100133 /nfs/dbraw/zinc/10/01/33/1240100133.db2.gz OEGCLMWYOUXEPL-SFHVURJKSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]2C1 ZINC001049244063 1240364952 /nfs/dbraw/zinc/36/49/52/1240364952.db2.gz MWWFFNBNCKHVGJ-CALCHBBNSA-N 2 1 343.471 2.149 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001000939874 1241259686 /nfs/dbraw/zinc/25/96/86/1241259686.db2.gz WEGOWRQWIYDAEM-UHFFFAOYSA-N 2 1 337.427 2.205 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049826897 1242327124 /nfs/dbraw/zinc/32/71/24/1242327124.db2.gz IYSGDYGIUVKUIQ-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=C)Cl)CC1 ZINC001049916259 1242698478 /nfs/dbraw/zinc/69/84/78/1242698478.db2.gz FFBBKQBAWHOGPX-ZWKOTPCHSA-N 2 1 349.906 2.149 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=C)Cl)CC1 ZINC001049916259 1242698494 /nfs/dbraw/zinc/69/84/94/1242698494.db2.gz FFBBKQBAWHOGPX-ZWKOTPCHSA-N 2 1 349.906 2.149 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062517 1242755137 /nfs/dbraw/zinc/75/51/37/1242755137.db2.gz VTFRIRAKHWMVFJ-IPMKNSEASA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050062517 1242755143 /nfs/dbraw/zinc/75/51/43/1242755143.db2.gz VTFRIRAKHWMVFJ-IPMKNSEASA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050062517 1242755151 /nfs/dbraw/zinc/75/51/51/1242755151.db2.gz VTFRIRAKHWMVFJ-IPMKNSEASA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001050078514 1242794295 /nfs/dbraw/zinc/79/42/95/1242794295.db2.gz OZQFGZBUYFBXMQ-QFBILLFUSA-N 2 1 336.439 2.202 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)CC1 ZINC001050663612 1244074703 /nfs/dbraw/zinc/07/47/03/1244074703.db2.gz WAMWOSAXNTXDIO-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097853961 1244690409 /nfs/dbraw/zinc/69/04/09/1244690409.db2.gz RFZKSJAFBHRNLH-JEWRLFTDSA-N 2 1 337.483 2.497 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001097853961 1244690425 /nfs/dbraw/zinc/69/04/25/1244690425.db2.gz RFZKSJAFBHRNLH-JEWRLFTDSA-N 2 1 337.483 2.497 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001097853961 1244690434 /nfs/dbraw/zinc/69/04/34/1244690434.db2.gz RFZKSJAFBHRNLH-JEWRLFTDSA-N 2 1 337.483 2.497 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097857718 1244694757 /nfs/dbraw/zinc/69/47/57/1244694757.db2.gz BVZWIUVAJHIBRB-IDCNUPLLSA-N 2 1 328.460 2.052 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097857718 1244694768 /nfs/dbraw/zinc/69/47/68/1244694768.db2.gz BVZWIUVAJHIBRB-IDCNUPLLSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052704111 1244790944 /nfs/dbraw/zinc/79/09/44/1244790944.db2.gz ZSPNKBIXQVDUNC-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704111 1244790951 /nfs/dbraw/zinc/79/09/51/1244790951.db2.gz ZSPNKBIXQVDUNC-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704111 1244790957 /nfs/dbraw/zinc/79/09/57/1244790957.db2.gz ZSPNKBIXQVDUNC-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001052708470 1244798413 /nfs/dbraw/zinc/79/84/13/1244798413.db2.gz BEBOXIKDBMUNFI-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001052708470 1244798424 /nfs/dbraw/zinc/79/84/24/1244798424.db2.gz BEBOXIKDBMUNFI-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857103 1245395793 /nfs/dbraw/zinc/39/57/93/1245395793.db2.gz HZBWMRUEUIYLRD-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001052937224 1245513347 /nfs/dbraw/zinc/51/33/47/1245513347.db2.gz IQBHCOCNVHUENL-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053040413 1245744597 /nfs/dbraw/zinc/74/45/97/1245744597.db2.gz JOYWGAUNZBJZIO-PMACEKPBSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101388179 1245751602 /nfs/dbraw/zinc/75/16/02/1245751602.db2.gz QTUXCFFPPOQBHM-FCEWJHQRSA-N 2 1 330.476 2.335 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C[C@]2(C)C1 ZINC001101388179 1245751608 /nfs/dbraw/zinc/75/16/08/1245751608.db2.gz QTUXCFFPPOQBHM-FCEWJHQRSA-N 2 1 330.476 2.335 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C[C@]2(C)C1 ZINC001101388179 1245751614 /nfs/dbraw/zinc/75/16/14/1245751614.db2.gz QTUXCFFPPOQBHM-FCEWJHQRSA-N 2 1 330.476 2.335 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)CO2 ZINC001053945713 1247049796 /nfs/dbraw/zinc/04/97/96/1247049796.db2.gz FDCGUOQNSQVUIW-MSOLQXFVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054153024 1247541131 /nfs/dbraw/zinc/54/11/31/1247541131.db2.gz KCLMJVYLTHSKQD-IBGZPJMESA-N 2 1 331.504 2.363 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001054232988 1247797306 /nfs/dbraw/zinc/79/73/06/1247797306.db2.gz ACSAJRXIFIQZDS-PMACEKPBSA-N 2 1 331.504 2.363 20 30 EEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001054232988 1247797312 /nfs/dbraw/zinc/79/73/12/1247797312.db2.gz ACSAJRXIFIQZDS-PMACEKPBSA-N 2 1 331.504 2.363 20 30 EEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001054232988 1247797319 /nfs/dbraw/zinc/79/73/19/1247797319.db2.gz ACSAJRXIFIQZDS-PMACEKPBSA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001071243779 1254088980 /nfs/dbraw/zinc/08/89/80/1254088980.db2.gz LGJHASJJIUDLEW-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(Br)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001026464880 1276815789 /nfs/dbraw/zinc/81/57/89/1276815789.db2.gz ZUZFWYQUKRZVCT-RUXDESIVSA-N 2 1 344.297 2.006 20 30 EEEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916666 1282234155 /nfs/dbraw/zinc/23/41/55/1282234155.db2.gz BKDITQFOHWNETK-QZTJIDSGSA-N 2 1 339.524 2.088 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193621868 1282602382 /nfs/dbraw/zinc/60/23/82/1282602382.db2.gz IRADQJOJPISBBK-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193621868 1282602394 /nfs/dbraw/zinc/60/23/94/1282602394.db2.gz IRADQJOJPISBBK-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193621868 1282602405 /nfs/dbraw/zinc/60/24/05/1282602405.db2.gz IRADQJOJPISBBK-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001196191953 1283926384 /nfs/dbraw/zinc/92/63/84/1283926384.db2.gz RDLZFQDBNMNDNX-SFHVURJKSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001196191953 1283926389 /nfs/dbraw/zinc/92/63/89/1283926389.db2.gz RDLZFQDBNMNDNX-SFHVURJKSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001196191953 1283926393 /nfs/dbraw/zinc/92/63/93/1283926393.db2.gz RDLZFQDBNMNDNX-SFHVURJKSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001196191953 1283926401 /nfs/dbraw/zinc/92/64/01/1283926401.db2.gz RDLZFQDBNMNDNX-SFHVURJKSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201811957 1289761835 /nfs/dbraw/zinc/76/18/35/1289761835.db2.gz YZBKQDRAXZNFAN-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000859291964 1294378965 /nfs/dbraw/zinc/37/89/65/1294378965.db2.gz PRNDEZIYVDYANB-GOSISDBHSA-N 2 1 343.471 2.106 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346712 1295987704 /nfs/dbraw/zinc/98/77/04/1295987704.db2.gz ZOORTHKNNSAXQB-IAGOWNOFSA-N 2 1 327.513 2.114 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC001220868793 1298565812 /nfs/dbraw/zinc/56/58/12/1298565812.db2.gz UUQMBCWNFXVEKR-IRXDYDNUSA-N 2 1 340.471 2.194 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001098914126 1298754241 /nfs/dbraw/zinc/75/42/41/1298754241.db2.gz MRNDFWSFJSVNOE-JXFKEZNVSA-N 2 1 336.439 2.250 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC/C=C\CCC)C[C@H]21 ZINC001221626157 1298966009 /nfs/dbraw/zinc/96/60/09/1298966009.db2.gz SWYHYVVXDSPHKM-IVCWSTDESA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC/C=C\CCC)C[C@H]21 ZINC001221626157 1298966011 /nfs/dbraw/zinc/96/60/11/1298966011.db2.gz SWYHYVVXDSPHKM-IVCWSTDESA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC/C=C\CCC)C[C@H]21 ZINC001221626157 1298966012 /nfs/dbraw/zinc/96/60/12/1298966012.db2.gz SWYHYVVXDSPHKM-IVCWSTDESA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC/C=C\CCC)C[C@H]21 ZINC001221626157 1298966017 /nfs/dbraw/zinc/96/60/17/1298966017.db2.gz SWYHYVVXDSPHKM-IVCWSTDESA-N 2 1 343.515 2.363 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102110978 1300329706 /nfs/dbraw/zinc/32/97/06/1300329706.db2.gz OVRRBJUPDCWLLJ-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102110978 1300329716 /nfs/dbraw/zinc/32/97/16/1300329716.db2.gz OVRRBJUPDCWLLJ-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102110978 1300329727 /nfs/dbraw/zinc/32/97/27/1300329727.db2.gz OVRRBJUPDCWLLJ-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001226161209 1301281262 /nfs/dbraw/zinc/28/12/62/1301281262.db2.gz NQLGVIFHYAHVTQ-KURKYZTESA-N 2 1 337.508 2.079 20 30 EEEDMP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1)C1CCC1 ZINC001227832552 1301983007 /nfs/dbraw/zinc/98/30/07/1301983007.db2.gz KRURDHDIVZZLGO-UHFFFAOYSA-N 2 1 346.500 2.185 20 30 EEEDMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1)C1CCC1 ZINC001227832552 1301983010 /nfs/dbraw/zinc/98/30/10/1301983010.db2.gz KRURDHDIVZZLGO-UHFFFAOYSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001103007782 1302058014 /nfs/dbraw/zinc/05/80/14/1302058014.db2.gz WRGXGVKMAVPXLK-FGTMMUONSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001103007782 1302058023 /nfs/dbraw/zinc/05/80/23/1302058023.db2.gz WRGXGVKMAVPXLK-FGTMMUONSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495862 1303035700 /nfs/dbraw/zinc/03/57/00/1303035700.db2.gz WGACXJADTOREIW-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374310 1303183094 /nfs/dbraw/zinc/18/30/94/1303183094.db2.gz PAMFFAYPPHKRID-IBGZPJMESA-N 2 1 345.487 2.073 20 30 EEEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc4ccc(C#N)cc4[nH]3)[C@@H]2C1 ZINC001277457957 1303238188 /nfs/dbraw/zinc/23/81/88/1303238188.db2.gz RSUWQIAWGNTGJF-FXAWDEMLSA-N 2 1 337.471 2.107 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001115117148 1304703517 /nfs/dbraw/zinc/70/35/17/1304703517.db2.gz VEWQCCUNYTXAPH-YDZRNGNQSA-N 2 1 327.472 2.302 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001115117148 1304703522 /nfs/dbraw/zinc/70/35/22/1304703522.db2.gz VEWQCCUNYTXAPH-YDZRNGNQSA-N 2 1 327.472 2.302 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001115117148 1304703529 /nfs/dbraw/zinc/70/35/29/1304703529.db2.gz VEWQCCUNYTXAPH-YDZRNGNQSA-N 2 1 327.472 2.302 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289445 1309969823 /nfs/dbraw/zinc/96/98/23/1309969823.db2.gz SONKLRYJVCWCPB-VFXMLLCRSA-N 2 1 349.519 2.077 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289445 1309969827 /nfs/dbraw/zinc/96/98/27/1309969827.db2.gz SONKLRYJVCWCPB-VFXMLLCRSA-N 2 1 349.519 2.077 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001246303122 1310277127 /nfs/dbraw/zinc/27/71/27/1310277127.db2.gz HBYZNQOIRDLCST-KRWDZBQOSA-N 2 1 338.398 2.248 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150589811 1316308475 /nfs/dbraw/zinc/30/84/75/1316308475.db2.gz WUYZDIFEUGLJTJ-SFHVURJKSA-N 2 1 349.519 2.036 20 30 EEEDMP CCN(Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152386410 1316664381 /nfs/dbraw/zinc/66/43/81/1316664381.db2.gz HSMIGEQEIMZRQE-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CCN(Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCCN1C ZINC001152386410 1316664383 /nfs/dbraw/zinc/66/43/83/1316664383.db2.gz HSMIGEQEIMZRQE-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C)cc1 ZINC001153891173 1316909842 /nfs/dbraw/zinc/90/98/42/1316909842.db2.gz PAVAPDZOGQTBNB-QUCCMNQESA-N 2 1 341.499 2.419 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C)cc1 ZINC001153891173 1316909845 /nfs/dbraw/zinc/90/98/45/1316909845.db2.gz PAVAPDZOGQTBNB-QUCCMNQESA-N 2 1 341.499 2.419 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C)cc1 ZINC001153891173 1316909846 /nfs/dbraw/zinc/90/98/46/1316909846.db2.gz PAVAPDZOGQTBNB-QUCCMNQESA-N 2 1 341.499 2.419 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C)cc1 ZINC001153891173 1316909848 /nfs/dbraw/zinc/90/98/48/1316909848.db2.gz PAVAPDZOGQTBNB-QUCCMNQESA-N 2 1 341.499 2.419 20 30 EEEDMP N#Cc1c[nH]c2cc[nH+]c(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)c12 ZINC001155382264 1317573666 /nfs/dbraw/zinc/57/36/66/1317573666.db2.gz GLBKZICEGTYTGP-AWEZNQCLSA-N 2 1 325.416 2.395 20 30 EEEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252493743 1317616646 /nfs/dbraw/zinc/61/66/46/1317616646.db2.gz SOWMUSAACNHMPQ-YSTOQKLRSA-N 2 1 330.472 2.335 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155611885 1317673828 /nfs/dbraw/zinc/67/38/28/1317673828.db2.gz JZIVBMJDGDSIBM-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001161649345 1320569895 /nfs/dbraw/zinc/56/98/95/1320569895.db2.gz DCDKPJNLKQYLNO-IBGZPJMESA-N 2 1 342.487 2.275 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161693647 1320589036 /nfs/dbraw/zinc/58/90/36/1320589036.db2.gz ACUVLGQMIRWCFX-UHFFFAOYSA-N 2 1 343.515 2.270 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001166736955 1321778155 /nfs/dbraw/zinc/77/81/55/1321778155.db2.gz XELJIOWCGPIBCI-OAHLLOKOSA-N 2 1 334.464 2.335 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001166764593 1321784185 /nfs/dbraw/zinc/78/41/85/1321784185.db2.gz GTODHCOSRFLLNJ-UHFFFAOYSA-N 2 1 346.450 2.025 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001205572881 1323200955 /nfs/dbraw/zinc/20/09/55/1323200955.db2.gz QELZMFXFPFZVBD-QXAKKESOSA-N 2 1 345.462 2.380 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205678551 1323239924 /nfs/dbraw/zinc/23/99/24/1323239924.db2.gz LZMFJABYIUQGFK-HHXXYDBFSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207484580 1323991479 /nfs/dbraw/zinc/99/14/79/1323991479.db2.gz QKXGPBCCCGTDMH-GOSISDBHSA-N 2 1 332.492 2.254 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001208454713 1324507227 /nfs/dbraw/zinc/50/72/27/1324507227.db2.gz ZXJOHIZEDKEOOM-SFHVURJKSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001208599058 1324581607 /nfs/dbraw/zinc/58/16/07/1324581607.db2.gz DJIBCARIGJYBAK-SFHVURJKSA-N 2 1 332.492 2.254 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209644131 1324997848 /nfs/dbraw/zinc/99/78/48/1324997848.db2.gz YPALRQZRTLFJBG-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001210486249 1325305309 /nfs/dbraw/zinc/30/53/09/1325305309.db2.gz QZDDOSWROACAPI-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001210486249 1325305316 /nfs/dbraw/zinc/30/53/16/1325305316.db2.gz QZDDOSWROACAPI-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001210486249 1325305325 /nfs/dbraw/zinc/30/53/25/1325305325.db2.gz QZDDOSWROACAPI-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001210486249 1325305333 /nfs/dbraw/zinc/30/53/33/1325305333.db2.gz QZDDOSWROACAPI-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001339880329 1337089550 /nfs/dbraw/zinc/08/95/50/1337089550.db2.gz OFZFIXMLZWZNFX-JKSUJKDBSA-N 2 1 346.523 2.192 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188568447 1368303910 /nfs/dbraw/zinc/30/39/10/1368303910.db2.gz MDQCYVGXLVYJRW-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188568447 1368303914 /nfs/dbraw/zinc/30/39/14/1368303914.db2.gz MDQCYVGXLVYJRW-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702034 1370560074 /nfs/dbraw/zinc/56/00/74/1370560074.db2.gz RXKQNVREQXSSDC-PKOBYXMFSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001103758359 1371060095 /nfs/dbraw/zinc/06/00/95/1371060095.db2.gz GUCFBGSDALRAHF-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758359 1371060101 /nfs/dbraw/zinc/06/01/01/1371060101.db2.gz GUCFBGSDALRAHF-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758359 1371060107 /nfs/dbraw/zinc/06/01/07/1371060107.db2.gz GUCFBGSDALRAHF-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001115116453 1371527066 /nfs/dbraw/zinc/52/70/66/1371527066.db2.gz MSXNIXVZQZPOJU-YDZRNGNQSA-N 2 1 327.472 2.302 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001115116453 1371527068 /nfs/dbraw/zinc/52/70/68/1371527068.db2.gz MSXNIXVZQZPOJU-YDZRNGNQSA-N 2 1 327.472 2.302 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001115116453 1371527069 /nfs/dbraw/zinc/52/70/69/1371527069.db2.gz MSXNIXVZQZPOJU-YDZRNGNQSA-N 2 1 327.472 2.302 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001377676323 1379433008 /nfs/dbraw/zinc/43/30/08/1379433008.db2.gz ZPSFSTPVLXPYAR-MRXNPFEDSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001377676323 1379433013 /nfs/dbraw/zinc/43/30/13/1379433013.db2.gz ZPSFSTPVLXPYAR-MRXNPFEDSA-N 2 1 327.900 2.394 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NC2(C[NH2+]Cc3ccc(C#N)s3)CCCC2)C1 ZINC001378381059 1379901563 /nfs/dbraw/zinc/90/15/63/1379901563.db2.gz FRTBUXDOOQWCDX-CQSZACIVSA-N 2 1 346.500 2.090 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001380179536 1381095452 /nfs/dbraw/zinc/09/54/52/1381095452.db2.gz VGNXKBBZJOWSIF-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001381621192 1381694578 /nfs/dbraw/zinc/69/45/78/1381694578.db2.gz GNHCORGWGHFRBU-KSSFIOAISA-N 2 1 348.466 2.220 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001381621192 1381694581 /nfs/dbraw/zinc/69/45/81/1381694581.db2.gz GNHCORGWGHFRBU-KSSFIOAISA-N 2 1 348.466 2.220 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001382584096 1382138910 /nfs/dbraw/zinc/13/89/10/1382138910.db2.gz JESKKCDTZJWELA-UHFFFAOYSA-N 2 1 335.879 2.450 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001382584096 1382138914 /nfs/dbraw/zinc/13/89/14/1382138914.db2.gz JESKKCDTZJWELA-UHFFFAOYSA-N 2 1 335.879 2.450 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001752913379 1406539879 /nfs/dbraw/zinc/53/98/79/1406539879.db2.gz JLOZLUXTEBPRJI-HNNXBMFYSA-N 2 1 335.879 2.128 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001401074048 1396907074 /nfs/dbraw/zinc/90/70/74/1396907074.db2.gz FMLZBIQOKFTLFC-UHFFFAOYSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC/C=C\CC)C2)C1 ZINC001754564754 1406925292 /nfs/dbraw/zinc/92/52/92/1406925292.db2.gz IJNPDDQNXNYKCN-LJQWKTEUSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC/C=C\CC)C2)C1 ZINC001754564754 1406925297 /nfs/dbraw/zinc/92/52/97/1406925297.db2.gz IJNPDDQNXNYKCN-LJQWKTEUSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC/C=C\CC)C2)C1 ZINC001754564754 1406925304 /nfs/dbraw/zinc/92/53/04/1406925304.db2.gz IJNPDDQNXNYKCN-LJQWKTEUSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC/C=C\CC)C2)C1 ZINC001754564754 1406925309 /nfs/dbraw/zinc/92/53/09/1406925309.db2.gz IJNPDDQNXNYKCN-LJQWKTEUSA-N 2 1 343.515 2.365 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C ZINC001426152091 1401914967 /nfs/dbraw/zinc/91/49/67/1401914967.db2.gz ZTQGANDOBKTHDM-CYBMUJFWSA-N 2 1 348.329 2.357 20 30 EEEDMP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001577710967 1403670057 /nfs/dbraw/zinc/67/00/57/1403670057.db2.gz KSSQYAMPUUIPAO-AEFFLSMTSA-N 2 1 334.508 2.368 20 30 EEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1C ZINC001104314296 759355796 /nfs/dbraw/zinc/35/57/96/759355796.db2.gz OAEVJCKRUJWLGV-NMFUWQPSSA-N 2 1 336.867 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457521 760815199 /nfs/dbraw/zinc/81/51/99/760815199.db2.gz VFSMLHJVEAMICZ-SFHVURJKSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458508 760847157 /nfs/dbraw/zinc/84/71/57/760847157.db2.gz IHDCIHNKFWPWMJ-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458508 760847170 /nfs/dbraw/zinc/84/71/70/760847170.db2.gz IHDCIHNKFWPWMJ-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458508 760847184 /nfs/dbraw/zinc/84/71/84/760847184.db2.gz IHDCIHNKFWPWMJ-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461265 760926904 /nfs/dbraw/zinc/92/69/04/760926904.db2.gz ARWXNUXVGGYBAM-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461265 760926914 /nfs/dbraw/zinc/92/69/14/760926914.db2.gz ARWXNUXVGGYBAM-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461265 760926919 /nfs/dbraw/zinc/92/69/19/760926919.db2.gz ARWXNUXVGGYBAM-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461268 760927004 /nfs/dbraw/zinc/92/70/04/760927004.db2.gz ARWXNUXVGGYBAM-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461268 760927012 /nfs/dbraw/zinc/92/70/12/760927012.db2.gz ARWXNUXVGGYBAM-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461268 760927018 /nfs/dbraw/zinc/92/70/18/760927018.db2.gz ARWXNUXVGGYBAM-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087305954 761552848 /nfs/dbraw/zinc/55/28/48/761552848.db2.gz AZDWOFABIGMJRW-RLLQIKCJSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415858 768911387 /nfs/dbraw/zinc/91/13/87/768911387.db2.gz DLKVVNQGMKKZIM-SFHVURJKSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446349 769309064 /nfs/dbraw/zinc/30/90/64/769309064.db2.gz WGASMCDQYIKLBG-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@@H](C)C1 ZINC000942717965 783048601 /nfs/dbraw/zinc/04/86/01/783048601.db2.gz AYQDPDYYOIAUED-RDJZCZTQSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942717965 783048607 /nfs/dbraw/zinc/04/86/07/783048607.db2.gz AYQDPDYYOIAUED-RDJZCZTQSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942717965 783048609 /nfs/dbraw/zinc/04/86/09/783048609.db2.gz AYQDPDYYOIAUED-RDJZCZTQSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001027930052 774553280 /nfs/dbraw/zinc/55/32/80/774553280.db2.gz MAEDYMQAZBANPM-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027930052 774553285 /nfs/dbraw/zinc/55/32/85/774553285.db2.gz MAEDYMQAZBANPM-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001027930052 774553287 /nfs/dbraw/zinc/55/32/87/774553287.db2.gz MAEDYMQAZBANPM-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2ncc[nH]2)C1 ZINC001089802383 775829421 /nfs/dbraw/zinc/82/94/21/775829421.db2.gz FJVWNVQSZSQRNI-VGWMRTNUSA-N 2 1 348.878 2.264 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000982013055 778864081 /nfs/dbraw/zinc/86/40/81/778864081.db2.gz JNDMGRNPYOXBRM-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000982013055 778864086 /nfs/dbraw/zinc/86/40/86/778864086.db2.gz JNDMGRNPYOXBRM-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3sccc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982291106 779581959 /nfs/dbraw/zinc/58/19/59/779581959.db2.gz FLJRMLKUBRSRLS-KDURUIRLSA-N 2 1 345.512 2.227 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001135437415 783766792 /nfs/dbraw/zinc/76/67/92/783766792.db2.gz RZHWKYABFVKZQB-UHFFFAOYSA-N 2 1 330.476 2.276 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184917 784021500 /nfs/dbraw/zinc/02/15/00/784021500.db2.gz PWRNQBFGJVYVCS-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184917 784021505 /nfs/dbraw/zinc/02/15/05/784021505.db2.gz PWRNQBFGJVYVCS-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035184917 784021511 /nfs/dbraw/zinc/02/15/11/784021511.db2.gz PWRNQBFGJVYVCS-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001035194947 784086846 /nfs/dbraw/zinc/08/68/46/784086846.db2.gz JWZBBUCKFZOLCZ-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001035194947 784086848 /nfs/dbraw/zinc/08/68/48/784086848.db2.gz JWZBBUCKFZOLCZ-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C[C@H](C)CC)C2)CC1 ZINC001035194947 784086856 /nfs/dbraw/zinc/08/68/56/784086856.db2.gz JWZBBUCKFZOLCZ-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C[C@H](C)CC)C2)CC1 ZINC001035194947 784086865 /nfs/dbraw/zinc/08/68/65/784086865.db2.gz JWZBBUCKFZOLCZ-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135784533 784424453 /nfs/dbraw/zinc/42/44/53/784424453.db2.gz INTJYMBNEOGGLF-GJZGRUSLSA-N 2 1 327.432 2.330 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135857663 784639833 /nfs/dbraw/zinc/63/98/33/784639833.db2.gz MDMGRSHQYIDXPU-CVEARBPZSA-N 2 1 330.476 2.273 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086801847 784692919 /nfs/dbraw/zinc/69/29/19/784692919.db2.gz BQZKIHDMECDUPA-GVDBMIGSSA-N 2 1 330.476 2.205 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995802909 785691484 /nfs/dbraw/zinc/69/14/84/785691484.db2.gz PNEYACHHADDRNB-HUUCEWRRSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000995900818 785799656 /nfs/dbraw/zinc/79/96/56/785799656.db2.gz ZUKWLTAJFQIZJV-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996312427 786251974 /nfs/dbraw/zinc/25/19/74/786251974.db2.gz ZIDLNLVPPXOKIQ-AWEZNQCLSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1(C)C ZINC000996333940 786278736 /nfs/dbraw/zinc/27/87/36/786278736.db2.gz HVLYJTDJLKXWMZ-CEXWTWQISA-N 2 1 341.499 2.344 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107484931 787377953 /nfs/dbraw/zinc/37/79/53/787377953.db2.gz BJBGHEAULQJBPT-SVFBPWRDSA-N 2 1 343.515 2.245 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546838 787587296 /nfs/dbraw/zinc/58/72/96/787587296.db2.gz QSVUKLHQKOKRHA-QGPMSJSTSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546838 787587303 /nfs/dbraw/zinc/58/73/03/787587303.db2.gz QSVUKLHQKOKRHA-QGPMSJSTSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546838 787587306 /nfs/dbraw/zinc/58/73/06/787587306.db2.gz QSVUKLHQKOKRHA-QGPMSJSTSA-N 2 1 339.911 2.442 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566651 787672167 /nfs/dbraw/zinc/67/21/67/787672167.db2.gz DFXNXZOIWZZTJL-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001109652572 805829715 /nfs/dbraw/zinc/82/97/15/805829715.db2.gz ALTYGCQTKQUXCL-AABGKKOBSA-N 2 1 339.483 2.101 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001109652572 805829722 /nfs/dbraw/zinc/82/97/22/805829722.db2.gz ALTYGCQTKQUXCL-AABGKKOBSA-N 2 1 339.483 2.101 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000825077908 788432584 /nfs/dbraw/zinc/43/25/84/788432584.db2.gz LYGKVZOEOBWDBP-HXUWFJFHSA-N 2 1 339.483 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107817721 788559548 /nfs/dbraw/zinc/55/95/48/788559548.db2.gz WHBLIABHICBAOD-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC000997148747 789137340 /nfs/dbraw/zinc/13/73/40/789137340.db2.gz JEQREPKQYVJMNC-MKQGEQSTSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC000997148747 789137348 /nfs/dbraw/zinc/13/73/48/789137348.db2.gz JEQREPKQYVJMNC-MKQGEQSTSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091076081 789727316 /nfs/dbraw/zinc/72/73/16/789727316.db2.gz LPAWYDDSFBXONH-ACBHZAAOSA-N 2 1 329.488 2.069 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091076081 789727323 /nfs/dbraw/zinc/72/73/23/789727323.db2.gz LPAWYDDSFBXONH-ACBHZAAOSA-N 2 1 329.488 2.069 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC(C)CC1 ZINC001032453518 789817022 /nfs/dbraw/zinc/81/70/22/789817022.db2.gz CTBGWTVUCMIEFA-PWKSQPCKSA-N 2 1 343.515 2.195 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC(C)CC1 ZINC001032453518 789817032 /nfs/dbraw/zinc/81/70/32/789817032.db2.gz CTBGWTVUCMIEFA-PWKSQPCKSA-N 2 1 343.515 2.195 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCC(C)CC1 ZINC001032453518 789817035 /nfs/dbraw/zinc/81/70/35/789817035.db2.gz CTBGWTVUCMIEFA-PWKSQPCKSA-N 2 1 343.515 2.195 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCC(C)CC1 ZINC001032453518 789817047 /nfs/dbraw/zinc/81/70/47/789817047.db2.gz CTBGWTVUCMIEFA-PWKSQPCKSA-N 2 1 343.515 2.195 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001146334611 791179146 /nfs/dbraw/zinc/17/91/46/791179146.db2.gz YGNZCDQQDFEKDF-CABCVRRESA-N 2 1 339.443 2.136 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001146593105 791362067 /nfs/dbraw/zinc/36/20/67/791362067.db2.gz OANCNCJLFZTHQG-HUUCEWRRSA-N 2 1 348.466 2.410 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098886 792108559 /nfs/dbraw/zinc/10/85/59/792108559.db2.gz YSFCMBRMCVXYQZ-DLBZAZTESA-N 2 1 339.499 2.296 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001147993659 792113216 /nfs/dbraw/zinc/11/32/16/792113216.db2.gz YTUHBTDZZWVXHF-GOSISDBHSA-N 2 1 331.504 2.361 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942628 793036056 /nfs/dbraw/zinc/03/60/56/793036056.db2.gz WZGNYAFUWCPBBZ-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091879063 793380282 /nfs/dbraw/zinc/38/02/82/793380282.db2.gz DWIZFYGECLGHLU-HBFSDRIKSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092015800 793509017 /nfs/dbraw/zinc/50/90/17/793509017.db2.gz WKEZOGRZPSTRGJ-HLIPFELVSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092015800 793509023 /nfs/dbraw/zinc/50/90/23/793509023.db2.gz WKEZOGRZPSTRGJ-HLIPFELVSA-N 2 1 342.487 2.110 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731790 794678872 /nfs/dbraw/zinc/67/88/72/794678872.db2.gz YVPBIVMQPWRRBF-WBVHZDCISA-N 2 1 345.512 2.369 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnc4c3CCCC4)CC[C@@H]21 ZINC001036774559 794922954 /nfs/dbraw/zinc/92/29/54/794922954.db2.gz HMPIXGFUBOJGBN-AEFFLSMTSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]21 ZINC001036774559 794922963 /nfs/dbraw/zinc/92/29/63/794922963.db2.gz HMPIXGFUBOJGBN-AEFFLSMTSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]21 ZINC001036774559 794922968 /nfs/dbraw/zinc/92/29/68/794922968.db2.gz HMPIXGFUBOJGBN-AEFFLSMTSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093383994 795127908 /nfs/dbraw/zinc/12/79/08/795127908.db2.gz RTPCWCLIOLJSJZ-MSOLQXFVSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093383994 795127913 /nfs/dbraw/zinc/12/79/13/795127913.db2.gz RTPCWCLIOLJSJZ-MSOLQXFVSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093383994 795127917 /nfs/dbraw/zinc/12/79/17/795127917.db2.gz RTPCWCLIOLJSJZ-MSOLQXFVSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089960119 795618979 /nfs/dbraw/zinc/61/89/79/795618979.db2.gz YOKNQPCOCGRIEV-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089960119 795618981 /nfs/dbraw/zinc/61/89/81/795618981.db2.gz YOKNQPCOCGRIEV-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089960119 795618983 /nfs/dbraw/zinc/61/89/83/795618983.db2.gz YOKNQPCOCGRIEV-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666862 796073394 /nfs/dbraw/zinc/07/33/94/796073394.db2.gz XKOPVOGYPZMCLD-RKVPGOIHSA-N 2 1 325.472 2.069 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094434044 796227160 /nfs/dbraw/zinc/22/71/60/796227160.db2.gz OPCCFELOSOHOOR-QKNQBKEWSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094434044 796227167 /nfs/dbraw/zinc/22/71/67/796227167.db2.gz OPCCFELOSOHOOR-QKNQBKEWSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094434044 796227172 /nfs/dbraw/zinc/22/71/72/796227172.db2.gz OPCCFELOSOHOOR-QKNQBKEWSA-N 2 1 343.515 2.387 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@@H]1C ZINC000993339058 796426454 /nfs/dbraw/zinc/42/64/54/796426454.db2.gz QVFGDNRAHIKZIQ-RDJZCZTQSA-N 2 1 330.476 2.307 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001112545991 806508041 /nfs/dbraw/zinc/50/80/41/806508041.db2.gz NZUXIJYTSHJDLH-ICSRJNTNSA-N 2 1 342.487 2.213 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC001080997638 796548378 /nfs/dbraw/zinc/54/83/78/796548378.db2.gz HRMNECHOTAJQSF-VQIMIIECSA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccccc1 ZINC001081146958 796665573 /nfs/dbraw/zinc/66/55/73/796665573.db2.gz SNMAPQBRLWJRQX-RBUKOAKNSA-N 2 1 338.455 2.352 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944578 798568015 /nfs/dbraw/zinc/56/80/15/798568015.db2.gz XHZSWYNELDUKRJ-TWMKSMIVSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944578 798568020 /nfs/dbraw/zinc/56/80/20/798568020.db2.gz XHZSWYNELDUKRJ-TWMKSMIVSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944578 798568025 /nfs/dbraw/zinc/56/80/25/798568025.db2.gz XHZSWYNELDUKRJ-TWMKSMIVSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944578 798568029 /nfs/dbraw/zinc/56/80/29/798568029.db2.gz XHZSWYNELDUKRJ-TWMKSMIVSA-N 2 1 339.911 2.392 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001177061438 798721732 /nfs/dbraw/zinc/72/17/32/798721732.db2.gz LTDKIPCKTMCROE-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001177061438 798721737 /nfs/dbraw/zinc/72/17/37/798721737.db2.gz LTDKIPCKTMCROE-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC2CCCC2)CC1 ZINC001003056248 799140046 /nfs/dbraw/zinc/14/00/46/799140046.db2.gz NZPZFBQKNLKKNI-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC2CCCC2)CC1 ZINC001003056248 799140047 /nfs/dbraw/zinc/14/00/47/799140047.db2.gz NZPZFBQKNLKKNI-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001003127391 799267871 /nfs/dbraw/zinc/26/78/71/799267871.db2.gz HTSHUNLKRKWRTJ-UHFFFAOYSA-N 2 1 325.884 2.196 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001180260070 800337436 /nfs/dbraw/zinc/33/74/36/800337436.db2.gz SDRDSJKVBWHJDL-IBGZPJMESA-N 2 1 342.487 2.276 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181518509 800831746 /nfs/dbraw/zinc/83/17/46/800831746.db2.gz UVBGNAMLCZEINH-GPMSIDNRSA-N 2 1 330.476 2.104 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001085608217 800893238 /nfs/dbraw/zinc/89/32/38/800893238.db2.gz LSOZXZFETQCHPK-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001085608217 800893243 /nfs/dbraw/zinc/89/32/43/800893243.db2.gz LSOZXZFETQCHPK-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001085608217 800893250 /nfs/dbraw/zinc/89/32/50/800893250.db2.gz LSOZXZFETQCHPK-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001085608217 800893255 /nfs/dbraw/zinc/89/32/55/800893255.db2.gz LSOZXZFETQCHPK-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001085608217 800893262 /nfs/dbraw/zinc/89/32/62/800893262.db2.gz LSOZXZFETQCHPK-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1 ZINC001181772185 800898399 /nfs/dbraw/zinc/89/83/99/800898399.db2.gz KOUVDEPMWINOKR-WSTZPKSXSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1 ZINC001181772185 800898409 /nfs/dbraw/zinc/89/84/09/800898409.db2.gz KOUVDEPMWINOKR-WSTZPKSXSA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085717768 801116375 /nfs/dbraw/zinc/11/63/75/801116375.db2.gz WPBYVCGQENRUIZ-QGZVFWFLSA-N 2 1 339.443 2.380 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472232 802162052 /nfs/dbraw/zinc/16/20/52/802162052.db2.gz FLZZCUVEBZVTBC-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001004472232 802162055 /nfs/dbraw/zinc/16/20/55/802162055.db2.gz FLZZCUVEBZVTBC-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001004472232 802162059 /nfs/dbraw/zinc/16/20/59/802162059.db2.gz FLZZCUVEBZVTBC-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086110125 802200140 /nfs/dbraw/zinc/20/01/40/802200140.db2.gz UWFFLVJPQXRSSC-VWAQSERHSA-N 2 1 345.531 2.395 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086110125 802200144 /nfs/dbraw/zinc/20/01/44/802200144.db2.gz UWFFLVJPQXRSSC-VWAQSERHSA-N 2 1 345.531 2.395 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086122215 802221806 /nfs/dbraw/zinc/22/18/06/802221806.db2.gz ATVAANKBMMWXMQ-CEXWTWQISA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2cncn2C)CC1 ZINC001004595418 802447735 /nfs/dbraw/zinc/44/77/35/802447735.db2.gz GYSLDCBRDQOAHP-GOSISDBHSA-N 2 1 330.476 2.242 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004622744 802484114 /nfs/dbraw/zinc/48/41/14/802484114.db2.gz YXIBFTZNBHZKGM-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004622740 802484605 /nfs/dbraw/zinc/48/46/05/802484605.db2.gz YXIBFTZNBHZKGM-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]2C1 ZINC000946651905 802633497 /nfs/dbraw/zinc/63/34/97/802633497.db2.gz ICMFJEVBKHLKGP-IYBDPMFKSA-N 2 1 346.475 2.096 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]2C1 ZINC000946651905 802633503 /nfs/dbraw/zinc/63/35/03/802633503.db2.gz ICMFJEVBKHLKGP-IYBDPMFKSA-N 2 1 346.475 2.096 20 30 EEEDMP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086500775 802793121 /nfs/dbraw/zinc/79/31/21/802793121.db2.gz GYYVRBNJXAGZBA-GFCCVEGCSA-N 2 1 335.521 2.342 20 30 EEEDMP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086500775 802793124 /nfs/dbraw/zinc/79/31/24/802793124.db2.gz GYYVRBNJXAGZBA-GFCCVEGCSA-N 2 1 335.521 2.342 20 30 EEEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001108421051 803505702 /nfs/dbraw/zinc/50/57/02/803505702.db2.gz GKJKXSDBIWQVCY-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421051 803505703 /nfs/dbraw/zinc/50/57/03/803505703.db2.gz GKJKXSDBIWQVCY-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421051 803505707 /nfs/dbraw/zinc/50/57/07/803505707.db2.gz GKJKXSDBIWQVCY-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001169465193 803779139 /nfs/dbraw/zinc/77/91/39/803779139.db2.gz ZQNUQHVERFVTEB-OAHLLOKOSA-N 2 1 327.432 2.332 20 30 EEEDMP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430150 810849037 /nfs/dbraw/zinc/84/90/37/810849037.db2.gz PGUCFQPSGRBKMB-LJQANCHMSA-N 2 1 340.471 2.171 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001131667167 813097487 /nfs/dbraw/zinc/09/74/87/813097487.db2.gz YPUOQDQISKRWGD-YLJYHZDGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001131667167 813097501 /nfs/dbraw/zinc/09/75/01/813097501.db2.gz YPUOQDQISKRWGD-YLJYHZDGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001131667167 813097509 /nfs/dbraw/zinc/09/75/09/813097509.db2.gz YPUOQDQISKRWGD-YLJYHZDGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001437001830 1088762411 /nfs/dbraw/zinc/76/24/11/1088762411.db2.gz LJGPRMPHNZNDKM-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001437001830 1088762427 /nfs/dbraw/zinc/76/24/27/1088762427.db2.gz LJGPRMPHNZNDKM-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001437309851 1089468025 /nfs/dbraw/zinc/46/80/25/1089468025.db2.gz IKSPJVBHVXHVBE-SFHVURJKSA-N 2 1 349.906 2.352 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC001441591058 1095421892 /nfs/dbraw/zinc/42/18/92/1095421892.db2.gz VNKVKHXAMOGWFU-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001441591058 1095421899 /nfs/dbraw/zinc/42/18/99/1095421899.db2.gz VNKVKHXAMOGWFU-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001441591058 1095421903 /nfs/dbraw/zinc/42/19/03/1095421903.db2.gz VNKVKHXAMOGWFU-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(Br)C[NH2+][C@H](CC)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001495058391 1104695271 /nfs/dbraw/zinc/69/52/71/1104695271.db2.gz OLAYIEZXFZJWDS-CYBMUJFWSA-N 2 1 348.329 2.357 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[C@H]1C ZINC001499852071 1112513003 /nfs/dbraw/zinc/51/30/03/1112513003.db2.gz CYCPNTULRYDKIT-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCC[NH+]1C ZINC001502166921 1113623990 /nfs/dbraw/zinc/62/39/90/1113623990.db2.gz KCIDUWZTTTUBLZ-SFHVURJKSA-N 2 1 346.450 2.072 20 30 EEEDMP CN(CCC[NH+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001502166921 1113623991 /nfs/dbraw/zinc/62/39/91/1113623991.db2.gz KCIDUWZTTTUBLZ-SFHVURJKSA-N 2 1 346.450 2.072 20 30 EEEDMP CN(CCC[NH+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCC[N@H+]1C ZINC001502166921 1113623995 /nfs/dbraw/zinc/62/39/95/1113623995.db2.gz KCIDUWZTTTUBLZ-SFHVURJKSA-N 2 1 346.450 2.072 20 30 EEEDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000442767269 242109127 /nfs/dbraw/zinc/10/91/27/242109127.db2.gz MJWMXKLUBYWLTP-AEFFLSMTSA-N 2 1 331.460 2.425 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396737 781959566 /nfs/dbraw/zinc/95/95/66/781959566.db2.gz ULBPTCLUCZETIH-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000491452879 533099001 /nfs/dbraw/zinc/09/90/01/533099001.db2.gz NXUCTROXPGWYRX-UHFFFAOYSA-N 2 1 328.338 2.477 20 30 EEEDMP C[C@@H](Cn1ccnc1)NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000329341319 465304682 /nfs/dbraw/zinc/30/46/82/465304682.db2.gz SAVVNTLROZBZFX-CGZBRXJRSA-N 2 1 333.480 2.382 20 30 EEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129112908 462690096 /nfs/dbraw/zinc/69/00/96/462690096.db2.gz KNQLAMGSIFHCDI-WMZOPIPTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129112908 462690100 /nfs/dbraw/zinc/69/01/00/462690100.db2.gz KNQLAMGSIFHCDI-WMZOPIPTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129112908 462690105 /nfs/dbraw/zinc/69/01/05/462690105.db2.gz KNQLAMGSIFHCDI-WMZOPIPTSA-N 2 1 326.444 2.303 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)C(C)C ZINC000159730810 463301642 /nfs/dbraw/zinc/30/16/42/463301642.db2.gz KHTHSPLAANKUGV-OAHLLOKOSA-N 2 1 341.463 2.355 20 30 EEEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000080628083 463340078 /nfs/dbraw/zinc/34/00/78/463340078.db2.gz PELHVBQAPLLARY-IYBDPMFKSA-N 2 1 325.522 2.454 20 30 EEEDMP C#CCNC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292887016 464375125 /nfs/dbraw/zinc/37/51/25/464375125.db2.gz URUNRYFOBWXBEL-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCNC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292887016 464375130 /nfs/dbraw/zinc/37/51/30/464375130.db2.gz URUNRYFOBWXBEL-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCNC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000292887016 464375134 /nfs/dbraw/zinc/37/51/34/464375134.db2.gz URUNRYFOBWXBEL-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCNC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000292887016 464375142 /nfs/dbraw/zinc/37/51/42/464375142.db2.gz URUNRYFOBWXBEL-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000330250410 465586956 /nfs/dbraw/zinc/58/69/56/465586956.db2.gz HDZOBRJMUGUIGQ-HNNXBMFYSA-N 2 1 331.464 2.062 20 30 EEEDMP C#CCOc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377633565 467102423 /nfs/dbraw/zinc/10/24/23/467102423.db2.gz VIRXTGUDRYTXMD-FQEVSTJZSA-N 2 1 341.499 2.299 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425540493 467106906 /nfs/dbraw/zinc/10/69/06/467106906.db2.gz ODGLMPPELTYSQP-OAHLLOKOSA-N 2 1 328.460 2.152 20 30 EEEDMP C=CCc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc(OC)c1O ZINC000414774002 467435508 /nfs/dbraw/zinc/43/55/08/467435508.db2.gz FBMOCYGCVFEWIZ-QGZVFWFLSA-N 2 1 346.471 2.317 20 30 EEEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000598725672 468975060 /nfs/dbraw/zinc/97/50/60/468975060.db2.gz YYGDGPHIIRRSQV-MOPGFXCFSA-N 2 1 345.487 2.168 20 30 EEEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000598725672 468975062 /nfs/dbraw/zinc/97/50/62/468975062.db2.gz YYGDGPHIIRRSQV-MOPGFXCFSA-N 2 1 345.487 2.168 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682178 470611354 /nfs/dbraw/zinc/61/13/54/470611354.db2.gz LWTVJGVEIHADDH-QGZVFWFLSA-N 2 1 330.476 2.407 20 30 EEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000191479969 528864371 /nfs/dbraw/zinc/86/43/71/528864371.db2.gz QVLABWMFPDJYFF-GOSISDBHSA-N 2 1 333.480 2.212 20 30 EEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000191479969 528864375 /nfs/dbraw/zinc/86/43/75/528864375.db2.gz QVLABWMFPDJYFF-GOSISDBHSA-N 2 1 333.480 2.212 20 30 EEEDMP C[NH+]1CCN(c2ccc(C=[NH+]NC(=S)NC(C)(C)C)cc2)CC1 ZINC000771549304 577217687 /nfs/dbraw/zinc/21/76/87/577217687.db2.gz AAFVFZNDWMTAEW-UHFFFAOYSA-N 2 1 333.505 2.035 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000746626590 577931168 /nfs/dbraw/zinc/93/11/68/577931168.db2.gz VBCDLIIIFXUWMG-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000746626590 577931169 /nfs/dbraw/zinc/93/11/69/577931169.db2.gz VBCDLIIIFXUWMG-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000746626590 577931170 /nfs/dbraw/zinc/93/11/70/577931170.db2.gz VBCDLIIIFXUWMG-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000746626590 577931171 /nfs/dbraw/zinc/93/11/71/577931171.db2.gz VBCDLIIIFXUWMG-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@@H](C)F)CC1 ZINC001021469833 676118843 /nfs/dbraw/zinc/11/88/43/676118843.db2.gz OMCUQNMPRQKRQH-BPIHKTFHSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039249893 676266367 /nfs/dbraw/zinc/26/63/67/676266367.db2.gz FNYIMBURIWYHRI-RBUKOAKNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711619 676369779 /nfs/dbraw/zinc/36/97/79/676369779.db2.gz YYRHQNIYKQQJMH-PMACEKPBSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023400716 679290654 /nfs/dbraw/zinc/29/06/54/679290654.db2.gz ZDNXLVATQVRJDE-OAHLLOKOSA-N 2 1 333.501 2.275 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC001024366990 679883818 /nfs/dbraw/zinc/88/38/18/679883818.db2.gz WSQGWVODUNESDG-PMACEKPBSA-N 2 1 339.483 2.103 20 30 EEEDMP CN1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC001024366990 679883819 /nfs/dbraw/zinc/88/38/19/679883819.db2.gz WSQGWVODUNESDG-PMACEKPBSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024810819 681462992 /nfs/dbraw/zinc/46/29/92/681462992.db2.gz JZXVKVHQZQZROB-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3cncn3C)C[C@@]2(C)C1 ZINC000982773552 682171441 /nfs/dbraw/zinc/17/14/41/682171441.db2.gz USKUILQIUKEKKC-KDURUIRLSA-N 2 1 330.476 2.099 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246948 682316191 /nfs/dbraw/zinc/31/61/91/682316191.db2.gz HWQJXJUCLDEULF-OALUTQOASA-N 2 1 343.515 2.484 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596785 683078151 /nfs/dbraw/zinc/07/81/51/683078151.db2.gz HHZRMYMXAQEUIS-HZPDHXFCSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598252 685093087 /nfs/dbraw/zinc/09/30/87/685093087.db2.gz BEAFTZZGBREBBN-IEBWSBKVSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598252 685093094 /nfs/dbraw/zinc/09/30/94/685093094.db2.gz BEAFTZZGBREBBN-IEBWSBKVSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598252 685093101 /nfs/dbraw/zinc/09/31/01/685093101.db2.gz BEAFTZZGBREBBN-IEBWSBKVSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033534 686084571 /nfs/dbraw/zinc/08/45/71/686084571.db2.gz DNRQEQPHDSBNCM-KBXCAEBGSA-N 2 1 325.472 2.212 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033534 686084574 /nfs/dbraw/zinc/08/45/74/686084574.db2.gz DNRQEQPHDSBNCM-KBXCAEBGSA-N 2 1 325.472 2.212 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033534 686084577 /nfs/dbraw/zinc/08/45/77/686084577.db2.gz DNRQEQPHDSBNCM-KBXCAEBGSA-N 2 1 325.472 2.212 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622778 692857626 /nfs/dbraw/zinc/85/76/26/692857626.db2.gz SNRWPKRNCSPTLN-GOSISDBHSA-N 2 1 327.472 2.212 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001089885598 1192684894 /nfs/dbraw/zinc/68/48/94/1192684894.db2.gz IAKGZLMEPBJYEU-HAGHYFMRSA-N 2 1 345.531 2.462 20 30 EEEDMP CC[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC001752210732 1179527074 /nfs/dbraw/zinc/52/70/74/1179527074.db2.gz XYWVTSCFDWOFJZ-UHFFFAOYSA-N 2 1 348.516 2.290 20 30 EEEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001753819857 1182399867 /nfs/dbraw/zinc/39/98/67/1182399867.db2.gz GHIZAJKNJIQVPT-UHFFFAOYSA-N 2 1 333.520 2.445 20 30 EEEDMP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001105446722 1187201018 /nfs/dbraw/zinc/20/10/18/1187201018.db2.gz RNMCOSYZLLFYBO-HFSMHLIXSA-N 2 1 341.499 2.320 20 30 EEEDMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001273101076 1194382872 /nfs/dbraw/zinc/38/28/72/1194382872.db2.gz NFNFCBQEQRQKRT-HXUWFJFHSA-N 2 1 346.519 2.479 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366459 1194481939 /nfs/dbraw/zinc/48/19/39/1194481939.db2.gz QRIGJXGMXBQCPN-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366459 1194481942 /nfs/dbraw/zinc/48/19/42/1194481942.db2.gz QRIGJXGMXBQCPN-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034399318 1196189990 /nfs/dbraw/zinc/18/99/90/1196189990.db2.gz SHWXGZXWXXHBRM-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034399318 1196189992 /nfs/dbraw/zinc/18/99/92/1196189992.db2.gz SHWXGZXWXXHBRM-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034399318 1196189995 /nfs/dbraw/zinc/18/99/95/1196189995.db2.gz SHWXGZXWXXHBRM-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC#Cc1ccccc1 ZINC001132269531 1199508086 /nfs/dbraw/zinc/50/80/86/1199508086.db2.gz LKIDOMRLQQMKGZ-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC#Cc1ccccc1 ZINC001132269531 1199508092 /nfs/dbraw/zinc/50/80/92/1199508092.db2.gz LKIDOMRLQQMKGZ-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170749977 1199559953 /nfs/dbraw/zinc/55/99/53/1199559953.db2.gz FEOXTDRKOQQYLM-ZWKOTPCHSA-N 2 1 339.524 2.326 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310423 1199560158 /nfs/dbraw/zinc/56/01/58/1199560158.db2.gz KOGABERNRGGLSA-UYAOXDASSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310423 1199560161 /nfs/dbraw/zinc/56/01/61/1199560161.db2.gz KOGABERNRGGLSA-UYAOXDASSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310423 1199560163 /nfs/dbraw/zinc/56/01/63/1199560163.db2.gz KOGABERNRGGLSA-UYAOXDASSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310423 1199560165 /nfs/dbraw/zinc/56/01/65/1199560165.db2.gz KOGABERNRGGLSA-UYAOXDASSA-N 2 1 341.499 2.153 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132348966 1199611892 /nfs/dbraw/zinc/61/18/92/1199611892.db2.gz VVEXFGWXBRVUKZ-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132348966 1199611896 /nfs/dbraw/zinc/61/18/96/1199611896.db2.gz VVEXFGWXBRVUKZ-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132368997 1199621723 /nfs/dbraw/zinc/62/17/23/1199621723.db2.gz SFVGKIBCOFZTHJ-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132368997 1199621726 /nfs/dbraw/zinc/62/17/26/1199621726.db2.gz SFVGKIBCOFZTHJ-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133360856 1200782456 /nfs/dbraw/zinc/78/24/56/1200782456.db2.gz QFXBALFLBXDEPT-HKUYNNGSSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133360856 1200782463 /nfs/dbraw/zinc/78/24/63/1200782463.db2.gz QFXBALFLBXDEPT-HKUYNNGSSA-N 2 1 329.488 2.379 20 30 EEEDMP N#CCCCN1CC[C@@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274109458 1204377087 /nfs/dbraw/zinc/37/70/87/1204377087.db2.gz DMNSOZDPGWJBFB-LJQANCHMSA-N 2 1 337.427 2.062 20 30 EEEDMP N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274109458 1204377088 /nfs/dbraw/zinc/37/70/88/1204377088.db2.gz DMNSOZDPGWJBFB-LJQANCHMSA-N 2 1 337.427 2.062 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCOCC1 ZINC000104173724 1204612531 /nfs/dbraw/zinc/61/25/31/1204612531.db2.gz HIBMOBQNZQNXOW-SFHVURJKSA-N 2 1 344.503 2.123 20 30 EEEDMP C#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](COCCOC)CC[C@@H]3C2)cc1 ZINC001275131931 1205264036 /nfs/dbraw/zinc/26/40/36/1205264036.db2.gz JWKLNIZPFBWHJT-OYRHEFFESA-N 2 1 342.483 2.432 20 30 EEEDMP C#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](COCCOC)CC[C@@H]3C2)cc1 ZINC001275131931 1205264037 /nfs/dbraw/zinc/26/40/37/1205264037.db2.gz JWKLNIZPFBWHJT-OYRHEFFESA-N 2 1 342.483 2.432 20 30 EEEDMP C#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](COCCOC)CC[C@@H]3C2)cc1 ZINC001275131931 1205264039 /nfs/dbraw/zinc/26/40/39/1205264039.db2.gz JWKLNIZPFBWHJT-OYRHEFFESA-N 2 1 342.483 2.432 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000948565336 1209225530 /nfs/dbraw/zinc/22/55/30/1209225530.db2.gz CJPOIBQTEYRFTR-JKSUJKDBSA-N 2 1 330.476 2.322 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000948565336 1209225535 /nfs/dbraw/zinc/22/55/35/1209225535.db2.gz CJPOIBQTEYRFTR-JKSUJKDBSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[NH+]1CCOC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949389295 1209662250 /nfs/dbraw/zinc/66/22/50/1209662250.db2.gz WVEOXLMXUVFIMV-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949389295 1209662253 /nfs/dbraw/zinc/66/22/53/1209662253.db2.gz WVEOXLMXUVFIMV-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949389295 1209662254 /nfs/dbraw/zinc/66/22/54/1209662254.db2.gz WVEOXLMXUVFIMV-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000949529341 1209729285 /nfs/dbraw/zinc/72/92/85/1209729285.db2.gz PTMNJWJRNWELOM-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)Oc1cccc(F)c1 ZINC000304850397 1216109037 /nfs/dbraw/zinc/10/90/37/1216109037.db2.gz QTCNSVZULITZRF-JKSUJKDBSA-N 2 1 336.455 2.372 20 30 EEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001412949513 1216145638 /nfs/dbraw/zinc/14/56/38/1216145638.db2.gz VGFVFQJCWYJLMI-RBUKOAKNSA-N 2 1 331.460 2.024 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224940 1217096910 /nfs/dbraw/zinc/09/69/10/1217096910.db2.gz FJLWFMNVTLWFBH-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961400535 1217175614 /nfs/dbraw/zinc/17/56/14/1217175614.db2.gz HWEDYOQHIMJYQC-HXUWFJFHSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963381689 1217578197 /nfs/dbraw/zinc/57/81/97/1217578197.db2.gz BQDSZPIRLDEBNF-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419542 1217615395 /nfs/dbraw/zinc/61/53/95/1217615395.db2.gz VMCCXNQDBGZODR-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419542 1217615398 /nfs/dbraw/zinc/61/53/98/1217615398.db2.gz VMCCXNQDBGZODR-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CCC[N@@H+]3CC=C)C2)CC1 ZINC000963429779 1217623674 /nfs/dbraw/zinc/62/36/74/1217623674.db2.gz RKRIKWLYWXNYBX-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000964185849 1218256453 /nfs/dbraw/zinc/25/64/53/1218256453.db2.gz OWSFLPMOOWZHFE-QQFBHYJXSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)CC[C@H]2C)CC1 ZINC000968681238 1221487082 /nfs/dbraw/zinc/48/70/82/1221487082.db2.gz HXKZIJQRJAFKEW-IEBWSBKVSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000968952348 1221697916 /nfs/dbraw/zinc/69/79/16/1221697916.db2.gz HGMUEPJFNVZMTO-UXHICEINSA-N 2 1 339.483 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000968952348 1221697918 /nfs/dbraw/zinc/69/79/18/1221697918.db2.gz HGMUEPJFNVZMTO-UXHICEINSA-N 2 1 339.483 2.092 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000968967452 1221705711 /nfs/dbraw/zinc/70/57/11/1221705711.db2.gz PQLRSOGINXTQOF-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001016733386 1226824969 /nfs/dbraw/zinc/82/49/69/1226824969.db2.gz LZCAJISRFDERJB-SFHVURJKSA-N 2 1 342.487 2.309 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001038369998 1229773776 /nfs/dbraw/zinc/77/37/76/1229773776.db2.gz ZXDNCGOKJUZFER-MOPGFXCFSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2csc(C)c2)CC1 ZINC001039042002 1230258097 /nfs/dbraw/zinc/25/80/97/1230258097.db2.gz KTYLYWGKAOLETP-SFHVURJKSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2csc(C)c2)CC1 ZINC001039042002 1230258099 /nfs/dbraw/zinc/25/80/99/1230258099.db2.gz KTYLYWGKAOLETP-SFHVURJKSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234081 1230467303 /nfs/dbraw/zinc/46/73/03/1230467303.db2.gz IBZWWYQAOKHVEM-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039242480 1230477296 /nfs/dbraw/zinc/47/72/96/1230477296.db2.gz OXBVGBFUHJTOKY-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039242480 1230477297 /nfs/dbraw/zinc/47/72/97/1230477297.db2.gz OXBVGBFUHJTOKY-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040201258 1231098064 /nfs/dbraw/zinc/09/80/64/1231098064.db2.gz LSDYZCPEOFQCRO-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201258 1231098068 /nfs/dbraw/zinc/09/80/68/1231098068.db2.gz LSDYZCPEOFQCRO-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201258 1231098071 /nfs/dbraw/zinc/09/80/71/1231098071.db2.gz LSDYZCPEOFQCRO-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040242695 1231127553 /nfs/dbraw/zinc/12/75/53/1231127553.db2.gz ZSIFGGNUFUGJPN-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040242695 1231127554 /nfs/dbraw/zinc/12/75/54/1231127554.db2.gz ZSIFGGNUFUGJPN-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040242695 1231127555 /nfs/dbraw/zinc/12/75/55/1231127555.db2.gz ZSIFGGNUFUGJPN-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040261951 1231139515 /nfs/dbraw/zinc/13/95/15/1231139515.db2.gz QRPBISOXWXEKFA-NVXWUHKLSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040261951 1231139516 /nfs/dbraw/zinc/13/95/16/1231139516.db2.gz QRPBISOXWXEKFA-NVXWUHKLSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430357 1231227704 /nfs/dbraw/zinc/22/77/04/1231227704.db2.gz BGJWPJUJQBQSRY-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041396476 1231530341 /nfs/dbraw/zinc/53/03/41/1231530341.db2.gz SZSKYJOSKJPYSP-LJQANCHMSA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041666981 1231643624 /nfs/dbraw/zinc/64/36/24/1231643624.db2.gz BBRSKPMYOGFOQE-GOSISDBHSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041666981 1231643625 /nfs/dbraw/zinc/64/36/25/1231643625.db2.gz BBRSKPMYOGFOQE-GOSISDBHSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041666981 1231643627 /nfs/dbraw/zinc/64/36/27/1231643627.db2.gz BBRSKPMYOGFOQE-GOSISDBHSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041666981 1231643628 /nfs/dbraw/zinc/64/36/28/1231643628.db2.gz BBRSKPMYOGFOQE-GOSISDBHSA-N 2 1 339.911 2.395 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724352 1231662448 /nfs/dbraw/zinc/66/24/48/1231662448.db2.gz VLRLWSSGJAMNOZ-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041724352 1231662450 /nfs/dbraw/zinc/66/24/50/1231662450.db2.gz VLRLWSSGJAMNOZ-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041724352 1231662451 /nfs/dbraw/zinc/66/24/51/1231662451.db2.gz VLRLWSSGJAMNOZ-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](C[C@@H](F)CC)C3)C2)CC1 ZINC001041844977 1231728311 /nfs/dbraw/zinc/72/83/11/1231728311.db2.gz QRURZLCTNUOKFU-ICSRJNTNSA-N 2 1 349.494 2.004 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847167 1231729400 /nfs/dbraw/zinc/72/94/00/1231729400.db2.gz KDVUBDZTBHKXTN-UYAOXDASSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847167 1231729403 /nfs/dbraw/zinc/72/94/03/1231729403.db2.gz KDVUBDZTBHKXTN-UYAOXDASSA-N 2 1 327.472 2.400 20 30 EEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001045556441 1233815370 /nfs/dbraw/zinc/81/53/70/1233815370.db2.gz GVEHALDZHYSGNG-UHFFFAOYSA-N 2 1 346.475 2.431 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC=C(C)C)CC1 ZINC001045896160 1234128417 /nfs/dbraw/zinc/12/84/17/1234128417.db2.gz WOEDQLFYUZITRG-UXHICEINSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045986674 1234282734 /nfs/dbraw/zinc/28/27/34/1234282734.db2.gz XZKQNZOSVNWMRT-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986674 1234282735 /nfs/dbraw/zinc/28/27/35/1234282735.db2.gz XZKQNZOSVNWMRT-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986674 1234282739 /nfs/dbraw/zinc/28/27/39/1234282739.db2.gz XZKQNZOSVNWMRT-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046925938 1235314603 /nfs/dbraw/zinc/31/46/03/1235314603.db2.gz PPPZLDWGJDDYRW-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046925938 1235314610 /nfs/dbraw/zinc/31/46/10/1235314610.db2.gz PPPZLDWGJDDYRW-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046925938 1235314612 /nfs/dbraw/zinc/31/46/12/1235314612.db2.gz PPPZLDWGJDDYRW-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047230937 1235707231 /nfs/dbraw/zinc/70/72/31/1235707231.db2.gz ITCSUOQKOQQHPS-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001047251813 1235752908 /nfs/dbraw/zinc/75/29/08/1235752908.db2.gz WYAKTRZXFWCPSP-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001047251812 1235753206 /nfs/dbraw/zinc/75/32/06/1235753206.db2.gz WYAKTRZXFWCPSP-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047255387 1235758489 /nfs/dbraw/zinc/75/84/89/1235758489.db2.gz YELUXWNRWPRUDY-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001048533296 1237897532 /nfs/dbraw/zinc/89/75/32/1237897532.db2.gz YZUOODKMWDTRGC-YRPNKDGESA-N 2 1 343.515 2.409 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001048533296 1237897538 /nfs/dbraw/zinc/89/75/38/1237897538.db2.gz YZUOODKMWDTRGC-YRPNKDGESA-N 2 1 343.515 2.409 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001048533296 1237897548 /nfs/dbraw/zinc/89/75/48/1237897548.db2.gz YZUOODKMWDTRGC-YRPNKDGESA-N 2 1 343.515 2.409 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001048533296 1237897558 /nfs/dbraw/zinc/89/75/58/1237897558.db2.gz YZUOODKMWDTRGC-YRPNKDGESA-N 2 1 343.515 2.409 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3cncn3C1)C2 ZINC001048542141 1237920007 /nfs/dbraw/zinc/92/00/07/1237920007.db2.gz MRCQPXSKXJSTPQ-ZJPYXAASSA-N 2 1 342.487 2.381 20 30 EEEDMP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563635 1241432058 /nfs/dbraw/zinc/43/20/58/1241432058.db2.gz GGNYUXOAKDLDAG-ROUUACIJSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563635 1241432062 /nfs/dbraw/zinc/43/20/62/1241432062.db2.gz GGNYUXOAKDLDAG-ROUUACIJSA-N 2 1 331.504 2.338 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001001404194 1242207166 /nfs/dbraw/zinc/20/71/66/1242207166.db2.gz HLJBRBNBOFHJTC-IAGOWNOFSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001404194 1242207176 /nfs/dbraw/zinc/20/71/76/1242207176.db2.gz HLJBRBNBOFHJTC-IAGOWNOFSA-N 2 1 339.911 2.442 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141640 1242968451 /nfs/dbraw/zinc/96/84/51/1242968451.db2.gz VICROBLVXOLEDP-SQGPQFPESA-N 2 1 349.494 2.145 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141640 1242968456 /nfs/dbraw/zinc/96/84/56/1242968456.db2.gz VICROBLVXOLEDP-SQGPQFPESA-N 2 1 349.494 2.145 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141640 1242968465 /nfs/dbraw/zinc/96/84/65/1242968465.db2.gz VICROBLVXOLEDP-SQGPQFPESA-N 2 1 349.494 2.145 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097858572 1244697424 /nfs/dbraw/zinc/69/74/24/1244697424.db2.gz RYVGXWVYSTYNSH-RWQQGDIJSA-N 2 1 342.487 2.442 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097858572 1244697433 /nfs/dbraw/zinc/69/74/33/1244697433.db2.gz RYVGXWVYSTYNSH-RWQQGDIJSA-N 2 1 342.487 2.442 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001101286326 1245612814 /nfs/dbraw/zinc/61/28/14/1245612814.db2.gz SNDCJCHIKYHXMO-XLIONFOSSA-N 2 1 342.487 2.264 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@H+](CC)C2)CC1 ZINC001053106960 1245924367 /nfs/dbraw/zinc/92/43/67/1245924367.db2.gz XYPJDRDVOPMNOD-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108017 1245928752 /nfs/dbraw/zinc/92/87/52/1245928752.db2.gz ONGSTWWIVMUKEX-MOPGFXCFSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001054050250 1247236892 /nfs/dbraw/zinc/23/68/92/1247236892.db2.gz XBDALNZKGZRLHX-XKGZKEIXSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001054050250 1247236894 /nfs/dbraw/zinc/23/68/94/1247236894.db2.gz XBDALNZKGZRLHX-XKGZKEIXSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001054050250 1247236901 /nfs/dbraw/zinc/23/69/01/1247236901.db2.gz XBDALNZKGZRLHX-XKGZKEIXSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001054050250 1247236908 /nfs/dbraw/zinc/23/69/08/1247236908.db2.gz XBDALNZKGZRLHX-XKGZKEIXSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001054061147 1247274860 /nfs/dbraw/zinc/27/48/60/1247274860.db2.gz VOFFBDOEWHKUCK-RBUKOAKNSA-N 2 1 327.472 2.057 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054061147 1247274867 /nfs/dbraw/zinc/27/48/67/1247274867.db2.gz VOFFBDOEWHKUCK-RBUKOAKNSA-N 2 1 327.472 2.057 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054061147 1247274877 /nfs/dbraw/zinc/27/48/77/1247274877.db2.gz VOFFBDOEWHKUCK-RBUKOAKNSA-N 2 1 327.472 2.057 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(CC)CC)CC1 ZINC001052458463 1247332697 /nfs/dbraw/zinc/33/26/97/1247332697.db2.gz CJDJMUJQGIHHFB-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(CC)CC)CC1 ZINC001052458463 1247332708 /nfs/dbraw/zinc/33/27/08/1247332708.db2.gz CJDJMUJQGIHHFB-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(CC)CC)CC1 ZINC001052458463 1247332718 /nfs/dbraw/zinc/33/27/18/1247332718.db2.gz CJDJMUJQGIHHFB-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(CC)CC)CC1 ZINC001052458463 1247332731 /nfs/dbraw/zinc/33/27/31/1247332731.db2.gz CJDJMUJQGIHHFB-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142518 1247510142 /nfs/dbraw/zinc/51/01/42/1247510142.db2.gz FBHBHXKDYKYJNA-UYAOXDASSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142518 1247510144 /nfs/dbraw/zinc/51/01/44/1247510144.db2.gz FBHBHXKDYKYJNA-UYAOXDASSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142518 1247510145 /nfs/dbraw/zinc/51/01/45/1247510145.db2.gz FBHBHXKDYKYJNA-UYAOXDASSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158050 1247559354 /nfs/dbraw/zinc/55/93/54/1247559354.db2.gz DFUBSZOTTVUIHN-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054158050 1247559359 /nfs/dbraw/zinc/55/93/59/1247559359.db2.gz DFUBSZOTTVUIHN-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054158050 1247559364 /nfs/dbraw/zinc/55/93/64/1247559364.db2.gz DFUBSZOTTVUIHN-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182886 1247639589 /nfs/dbraw/zinc/63/95/89/1247639589.db2.gz TUAXFHCBPXHPHL-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182886 1247639598 /nfs/dbraw/zinc/63/95/98/1247639598.db2.gz TUAXFHCBPXHPHL-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182886 1247639606 /nfs/dbraw/zinc/63/96/06/1247639606.db2.gz TUAXFHCBPXHPHL-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[NH+]1CCCC1)C[C@H](C)O2 ZINC001071198754 1254044038 /nfs/dbraw/zinc/04/40/38/1254044038.db2.gz DLBRADNUUMBKAN-PXNSSMCTSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@H]1C ZINC001071828411 1254691983 /nfs/dbraw/zinc/69/19/83/1254691983.db2.gz OCNCNWZSAYJJSA-CVEARBPZSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@H]1C ZINC001071828411 1254691991 /nfs/dbraw/zinc/69/19/91/1254691991.db2.gz OCNCNWZSAYJJSA-CVEARBPZSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071937511 1254829251 /nfs/dbraw/zinc/82/92/51/1254829251.db2.gz CKXGSYROJHOAAG-DOTOQJQBSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071937511 1254829265 /nfs/dbraw/zinc/82/92/65/1254829265.db2.gz CKXGSYROJHOAAG-DOTOQJQBSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001185389189 1278605882 /nfs/dbraw/zinc/60/58/82/1278605882.db2.gz GXZZNRJOGCBIRX-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673599 1279983053 /nfs/dbraw/zinc/98/30/53/1279983053.db2.gz PRYWJDUIAWWIDV-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001192960561 1282246088 /nfs/dbraw/zinc/24/60/88/1282246088.db2.gz RFRREEAFPIEZNN-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001192960561 1282246098 /nfs/dbraw/zinc/24/60/98/1282246098.db2.gz RFRREEAFPIEZNN-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198895504 1285399022 /nfs/dbraw/zinc/39/90/22/1285399022.db2.gz SNUAMSIKPJZDFT-QZTJIDSGSA-N 2 1 345.487 2.196 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176745 1286907077 /nfs/dbraw/zinc/90/70/77/1286907077.db2.gz ZXHBCTBQIZKZRI-YLJYHZDGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176745 1286907081 /nfs/dbraw/zinc/90/70/81/1286907081.db2.gz ZXHBCTBQIZKZRI-YLJYHZDGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176745 1286907083 /nfs/dbraw/zinc/90/70/83/1286907083.db2.gz ZXHBCTBQIZKZRI-YLJYHZDGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446439 1296033902 /nfs/dbraw/zinc/03/39/02/1296033902.db2.gz KYXNSOPHVWTUTO-BRWVUGGUSA-N 2 1 339.524 2.134 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446439 1296033910 /nfs/dbraw/zinc/03/39/10/1296033910.db2.gz KYXNSOPHVWTUTO-BRWVUGGUSA-N 2 1 339.524 2.134 20 30 EEEDMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@](C)(CO[C@@H]2C[NH2+]C[C@@H]2C#N)O1 ZINC001217831038 1297518745 /nfs/dbraw/zinc/51/87/45/1297518745.db2.gz IRBXIEDEEHUZDF-NLWGTHIKSA-N 2 1 343.471 2.184 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001276775259 1297592288 /nfs/dbraw/zinc/59/22/88/1297592288.db2.gz GIZLTJPYZAUBDK-UHFFFAOYSA-N 2 1 342.487 2.048 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001099548721 1299209750 /nfs/dbraw/zinc/20/97/50/1299209750.db2.gz ZOLGIRXGQWLOGM-MANSERQUSA-N 2 1 343.515 2.217 20 30 EEEDMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(C#N)cc3C)C[C@@H]1C[NH2+]CCC2 ZINC001222136701 1299379562 /nfs/dbraw/zinc/37/95/62/1299379562.db2.gz YHFNRMBNSVDQAM-ICSRJNTNSA-N 2 1 341.455 2.231 20 30 EEEDMP C=C(C)C[NH+]1CCC(CNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001223836704 1300289031 /nfs/dbraw/zinc/28/90/31/1300289031.db2.gz FMCBLBSCWKTJEP-UHFFFAOYSA-N 2 1 330.476 2.166 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514099 1301168690 /nfs/dbraw/zinc/16/86/90/1301168690.db2.gz MRGBPKTVJKMXMM-QZTJIDSGSA-N 2 1 341.540 2.219 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCCC)C[C@H]2C)CC1 ZINC001102596413 1301270712 /nfs/dbraw/zinc/27/07/12/1301270712.db2.gz DSGYTTDZBYCZLF-IEBWSBKVSA-N 2 1 333.520 2.206 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378859 1303184988 /nfs/dbraw/zinc/18/49/88/1303184988.db2.gz VYMPHMFWRBKCBS-INIZCTEOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1cccnc1 ZINC001230898699 1303531988 /nfs/dbraw/zinc/53/19/88/1303531988.db2.gz MDKYCCGTFRGVFH-GOSISDBHSA-N 2 1 344.503 2.308 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230898699 1303531995 /nfs/dbraw/zinc/53/19/95/1303531995.db2.gz MDKYCCGTFRGVFH-GOSISDBHSA-N 2 1 344.503 2.308 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230898699 1303531998 /nfs/dbraw/zinc/53/19/98/1303531998.db2.gz MDKYCCGTFRGVFH-GOSISDBHSA-N 2 1 344.503 2.308 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196357 1303638059 /nfs/dbraw/zinc/63/80/59/1303638059.db2.gz SWZLPVKABPAHRY-GUDVDZBRSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120448726 1309546903 /nfs/dbraw/zinc/54/69/03/1309546903.db2.gz FDCSSAYJHLCZIM-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448726 1309546910 /nfs/dbraw/zinc/54/69/10/1309546910.db2.gz FDCSSAYJHLCZIM-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448726 1309546914 /nfs/dbraw/zinc/54/69/14/1309546914.db2.gz FDCSSAYJHLCZIM-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H](C)CCC=C)C2 ZINC001121251742 1309958777 /nfs/dbraw/zinc/95/87/77/1309958777.db2.gz VNYPRVSYPIDPSV-RBUNFDSBSA-N 2 1 343.515 2.456 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H](C)CCC=C)C2 ZINC001121251742 1309958779 /nfs/dbraw/zinc/95/87/79/1309958779.db2.gz VNYPRVSYPIDPSV-RBUNFDSBSA-N 2 1 343.515 2.456 20 30 EEEDMP CCCCCCCCN(CC[NH3+])[C@H]1C[NH2+][C@@](CC)(C(=O)OC)C1 ZINC001246308763 1310278145 /nfs/dbraw/zinc/27/81/45/1310278145.db2.gz SDGNYUGDNFJHHM-SJLPKXTDSA-N 2 1 327.513 2.291 20 30 EEEDMP C#CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000830343318 1314534257 /nfs/dbraw/zinc/53/42/57/1314534257.db2.gz SLAJYYFOPFLLDD-PXNSSMCTSA-N 2 1 339.483 2.111 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150022467 1316129128 /nfs/dbraw/zinc/12/91/28/1316129128.db2.gz NUFXLGBQFRIIQK-MOPGFXCFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150022469 1316129448 /nfs/dbraw/zinc/12/94/48/1316129448.db2.gz NUFXLGBQFRIIQK-OALUTQOASA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001150022795 1316130593 /nfs/dbraw/zinc/13/05/93/1316130593.db2.gz PJRJIJCJRHYHJI-SFHVURJKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001150022795 1316130597 /nfs/dbraw/zinc/13/05/97/1316130597.db2.gz PJRJIJCJRHYHJI-SFHVURJKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001150022795 1316130602 /nfs/dbraw/zinc/13/06/02/1316130602.db2.gz PJRJIJCJRHYHJI-SFHVURJKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192923 1316199066 /nfs/dbraw/zinc/19/90/66/1316199066.db2.gz KLCIVGDCZGMJBA-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854456 1316900692 /nfs/dbraw/zinc/90/06/92/1316900692.db2.gz COBVRLWFIFEHAB-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854456 1316900696 /nfs/dbraw/zinc/90/06/96/1316900696.db2.gz COBVRLWFIFEHAB-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854456 1316900697 /nfs/dbraw/zinc/90/06/97/1316900697.db2.gz COBVRLWFIFEHAB-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001153998323 1316933207 /nfs/dbraw/zinc/93/32/07/1316933207.db2.gz OWGJWVFTPLBCGO-CRAIPNDOSA-N 2 1 330.476 2.225 20 30 EEEDMP [NH2+]=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC001252945047 1317734908 /nfs/dbraw/zinc/73/49/08/1317734908.db2.gz WJHQLLWWTRNSES-SFHVURJKSA-N 2 1 344.846 2.077 20 30 EEEDMP C#CCOCCOCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392125 1318385441 /nfs/dbraw/zinc/38/54/41/1318385441.db2.gz YCJKSTMURMJONJ-HXUWFJFHSA-N 2 1 330.472 2.297 20 30 EEEDMP CC(C)[NH+]1CCC([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001257218936 1318965562 /nfs/dbraw/zinc/96/55/62/1318965562.db2.gz ZVVOHWPWWZEUAM-UHFFFAOYSA-N 2 1 327.476 2.338 20 30 EEEDMP CC(C)[NH+]1CCC([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001257218936 1318965566 /nfs/dbraw/zinc/96/55/66/1318965566.db2.gz ZVVOHWPWWZEUAM-UHFFFAOYSA-N 2 1 327.476 2.338 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1ccnc1C ZINC001158598038 1319325670 /nfs/dbraw/zinc/32/56/70/1319325670.db2.gz PNMJVLZNURQBKS-GOSISDBHSA-N 2 1 330.476 2.308 20 30 EEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158598038 1319325678 /nfs/dbraw/zinc/32/56/78/1319325678.db2.gz PNMJVLZNURQBKS-GOSISDBHSA-N 2 1 330.476 2.308 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699246 1320592227 /nfs/dbraw/zinc/59/22/27/1320592227.db2.gz PNOIJRLKEZCYCE-KRWDZBQOSA-N 2 1 337.508 2.058 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCC=C)CC2)CC1 ZINC001161946787 1320688028 /nfs/dbraw/zinc/68/80/28/1320688028.db2.gz DLPPNJCNYIGEGT-UHFFFAOYSA-N 2 1 329.488 2.046 20 30 EEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)CC[N@H+](C)CC)(COC)CC1 ZINC001162569760 1320900952 /nfs/dbraw/zinc/90/09/52/1320900952.db2.gz WNDMSMHKGLOYMN-UHFFFAOYSA-N 2 1 339.524 2.139 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001162928333 1320990135 /nfs/dbraw/zinc/99/01/35/1320990135.db2.gz GOJMMUMJILCJDY-IBGZPJMESA-N 2 1 341.499 2.012 20 30 EEEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001163001429 1321009847 /nfs/dbraw/zinc/00/98/47/1321009847.db2.gz CAAYDLNEORQDGD-IBGZPJMESA-N 2 1 329.488 2.175 20 30 EEEDMP CCOC(=O)c1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1C#N ZINC001164217272 1321322307 /nfs/dbraw/zinc/32/23/07/1321322307.db2.gz SCRPNAZEECXVAF-UHFFFAOYSA-N 2 1 344.459 2.173 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C12CCC2 ZINC001203426452 1321878742 /nfs/dbraw/zinc/87/87/42/1321878742.db2.gz KRQFLPNEBJGMPP-RBUKOAKNSA-N 2 1 341.499 2.364 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001203824360 1321969257 /nfs/dbraw/zinc/96/92/57/1321969257.db2.gz PPMUGOSYWWHULB-UHFFFAOYSA-N 2 1 329.488 2.487 20 30 EEEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(Cl)c3)[C@@H]2C1 ZINC001276436379 1322021523 /nfs/dbraw/zinc/02/15/23/1322021523.db2.gz NSXAQCBSIWZMBJ-FUHWJXTLSA-N 2 1 332.879 2.279 20 30 EEEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001207391980 1323955250 /nfs/dbraw/zinc/95/52/50/1323955250.db2.gz SEPFARJGECKZGT-LJQANCHMSA-N 2 1 335.492 2.439 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208074176 1324302477 /nfs/dbraw/zinc/30/24/77/1324302477.db2.gz UEFBFGVMRVPMEG-IAGOWNOFSA-N 2 1 348.491 2.180 20 30 EEEDMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567208620 1342712347 /nfs/dbraw/zinc/71/23/47/1342712347.db2.gz RTBDSKFICGDKNX-YJBOKZPZSA-N 2 1 347.890 2.270 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121348513 1371871222 /nfs/dbraw/zinc/87/12/22/1371871222.db2.gz YETNQCIVCKWKSY-QAELIBMJSA-N 2 1 331.504 2.147 20 30 EEEDMP C[N@@H+](CC(=O)NCC[NH+](Cc1cccc(C#N)c1)C1CC1)C1CCC1 ZINC001372815076 1376223643 /nfs/dbraw/zinc/22/36/43/1376223643.db2.gz LYGCRCJHQDOACT-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)NCC[N@H+](Cc1cccc(C#N)c1)C1CC1)C1CCC1 ZINC001372815076 1376223645 /nfs/dbraw/zinc/22/36/45/1376223645.db2.gz LYGCRCJHQDOACT-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)NCC[N@@H+](Cc1cccc(C#N)c1)C1CC1)C1CCC1 ZINC001372815076 1376223649 /nfs/dbraw/zinc/22/36/49/1376223649.db2.gz LYGCRCJHQDOACT-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001377416806 1379222964 /nfs/dbraw/zinc/22/29/64/1379222964.db2.gz RFPVWMLGKVXNMJ-YOEHRIQHSA-N 2 1 348.516 2.287 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001377416806 1379222966 /nfs/dbraw/zinc/22/29/66/1379222966.db2.gz RFPVWMLGKVXNMJ-YOEHRIQHSA-N 2 1 348.516 2.287 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001380958708 1381465736 /nfs/dbraw/zinc/46/57/36/1381465736.db2.gz RHDXXFBAWQGHKI-IBGZPJMESA-N 2 1 344.503 2.425 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001393208650 1390375295 /nfs/dbraw/zinc/37/52/95/1390375295.db2.gz RXUZACVRXSVQNM-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001393208650 1390375292 /nfs/dbraw/zinc/37/52/92/1390375292.db2.gz RXUZACVRXSVQNM-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001393607126 1390491571 /nfs/dbraw/zinc/49/15/71/1390491571.db2.gz RUYNJHBWEUPJJN-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001393607126 1390491575 /nfs/dbraw/zinc/49/15/75/1390491575.db2.gz RUYNJHBWEUPJJN-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001393607126 1390491578 /nfs/dbraw/zinc/49/15/78/1390491578.db2.gz RUYNJHBWEUPJJN-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001753232447 1406722669 /nfs/dbraw/zinc/72/26/69/1406722669.db2.gz VMKGRQZPDKITJE-MRXNPFEDSA-N 2 1 347.890 2.081 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]21 ZINC001753874984 1406776947 /nfs/dbraw/zinc/77/69/47/1406776947.db2.gz CXOAYORWHKXADS-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001753874984 1406776950 /nfs/dbraw/zinc/77/69/50/1406776950.db2.gz CXOAYORWHKXADS-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001753874984 1406776955 /nfs/dbraw/zinc/77/69/55/1406776955.db2.gz CXOAYORWHKXADS-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001402070207 1397746315 /nfs/dbraw/zinc/74/63/15/1397746315.db2.gz JIRBITOVVMAJBF-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001402077369 1397750262 /nfs/dbraw/zinc/75/02/62/1397750262.db2.gz HJZZIRUQEAETDH-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001402077369 1397750263 /nfs/dbraw/zinc/75/02/63/1397750263.db2.gz HJZZIRUQEAETDH-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001402077369 1397750266 /nfs/dbraw/zinc/75/02/66/1397750266.db2.gz HJZZIRUQEAETDH-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001402077369 1397750268 /nfs/dbraw/zinc/75/02/68/1397750268.db2.gz HJZZIRUQEAETDH-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001402790446 1398200089 /nfs/dbraw/zinc/20/00/89/1398200089.db2.gz MOOSFMDAMOFJNN-YJBOKZPZSA-N 2 1 349.906 2.350 20 30 EEEDMP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001754639401 1406937546 /nfs/dbraw/zinc/93/75/46/1406937546.db2.gz GNQZLQCQWFESMM-AEFFLSMTSA-N 2 1 337.483 2.145 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001755204826 1407217428 /nfs/dbraw/zinc/21/74/28/1407217428.db2.gz NOVAZYWDXIGUKE-QZTJIDSGSA-N 2 1 333.520 2.465 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001755482238 1407517415 /nfs/dbraw/zinc/51/74/15/1407517415.db2.gz NWZWPVUOIQEJAX-UAPYVXQJSA-N 2 1 345.462 2.003 20 30 EEEDMP C=CCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001100681765 1410695981 /nfs/dbraw/zinc/69/59/81/1410695981.db2.gz RVWLSVAIBJOVDR-UHFFFAOYSA-N 2 1 329.488 2.221 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730142 1411044023 /nfs/dbraw/zinc/04/40/23/1411044023.db2.gz DDHNBQPZZDEOPD-DZGCQCFKSA-N 2 1 327.900 2.345 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839821 782350426 /nfs/dbraw/zinc/35/04/26/782350426.db2.gz VMZLKXATHPRZAH-RBUKOAKNSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458509 760846537 /nfs/dbraw/zinc/84/65/37/760846537.db2.gz IHDCIHNKFWPWMJ-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458509 760846549 /nfs/dbraw/zinc/84/65/49/760846549.db2.gz IHDCIHNKFWPWMJ-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458509 760846562 /nfs/dbraw/zinc/84/65/62/760846562.db2.gz IHDCIHNKFWPWMJ-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518579 761272560 /nfs/dbraw/zinc/27/25/60/761272560.db2.gz QGAUCKVYFICJDE-ZWOKBUDYSA-N 2 1 342.487 2.158 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@@H]21 ZINC001087310598 761582820 /nfs/dbraw/zinc/58/28/20/761582820.db2.gz ZQNAWRUSBVXFOG-MISYRCLQSA-N 2 1 345.531 2.347 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053132 782824976 /nfs/dbraw/zinc/82/49/76/782824976.db2.gz VSIIDLQQNDUOAI-CEXWTWQISA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001105413441 783029636 /nfs/dbraw/zinc/02/96/36/783029636.db2.gz RZPAHZCJQVIFSA-CMKODMSKSA-N 2 1 327.472 2.073 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000979997903 773686104 /nfs/dbraw/zinc/68/61/04/773686104.db2.gz GACOWJLIFJPAGM-OTWHNJEPSA-N 2 1 343.515 2.102 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980147503 773949180 /nfs/dbraw/zinc/94/91/80/773949180.db2.gz NSYRHSBGYMSUTA-KSZLIROESA-N 2 1 331.504 2.408 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnc4c3CCCC4)C[C@H]2C1 ZINC000980167276 773994635 /nfs/dbraw/zinc/99/46/35/773994635.db2.gz QMLRWKIGFKKJJN-ULQDDVLXSA-N 2 1 342.487 2.165 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]2C1 ZINC000980167276 773994638 /nfs/dbraw/zinc/99/46/38/773994638.db2.gz QMLRWKIGFKKJJN-ULQDDVLXSA-N 2 1 342.487 2.165 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]2C1 ZINC000980167276 773994643 /nfs/dbraw/zinc/99/46/43/773994643.db2.gz QMLRWKIGFKKJJN-ULQDDVLXSA-N 2 1 342.487 2.165 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000981341230 777184883 /nfs/dbraw/zinc/18/48/83/777184883.db2.gz RJAPTNUOCCTTKZ-HOTGVXAUSA-N 2 1 346.475 2.477 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001089833473 777338589 /nfs/dbraw/zinc/33/85/89/777338589.db2.gz KPIJRQJGIVDRHT-WNHJNPCNSA-N 2 1 336.439 2.303 20 30 EEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000981808133 778251562 /nfs/dbraw/zinc/25/15/62/778251562.db2.gz IFLJIZPFODBETC-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981808133 778251567 /nfs/dbraw/zinc/25/15/67/778251567.db2.gz IFLJIZPFODBETC-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981808133 778251571 /nfs/dbraw/zinc/25/15/71/778251571.db2.gz IFLJIZPFODBETC-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000981812871 778259212 /nfs/dbraw/zinc/25/92/12/778259212.db2.gz WUTNLMBUGLGMKN-UHFFFAOYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000981812871 778259218 /nfs/dbraw/zinc/25/92/18/778259218.db2.gz WUTNLMBUGLGMKN-UHFFFAOYSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982281080 779517043 /nfs/dbraw/zinc/51/70/43/779517043.db2.gz MNGAPNGRQFHTAV-OYRHEFFESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343542 780837316 /nfs/dbraw/zinc/83/73/16/780837316.db2.gz PHRDRVNAEYOVQM-INIZCTEOSA-N 2 1 331.460 2.339 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035206371 784061087 /nfs/dbraw/zinc/06/10/87/784061087.db2.gz CNPYEWFQWZJJKD-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035206371 784061093 /nfs/dbraw/zinc/06/10/93/784061093.db2.gz CNPYEWFQWZJJKD-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135690099 784250051 /nfs/dbraw/zinc/25/00/51/784250051.db2.gz FDNDGWLTKKBVQZ-ZWKOTPCHSA-N 2 1 339.524 2.021 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135975765 784925202 /nfs/dbraw/zinc/92/52/02/784925202.db2.gz BZJINHLRYCIDRP-SJORKVTESA-N 2 1 347.478 2.392 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485206 787381057 /nfs/dbraw/zinc/38/10/57/787381057.db2.gz OYJNQNCAAYQYSG-SFHLNBCPSA-N 2 1 343.515 2.245 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000996937126 788202423 /nfs/dbraw/zinc/20/24/23/788202423.db2.gz VMJKWFVUCFDLHT-AWEZNQCLSA-N 2 1 336.867 2.087 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)CC[C@@H]2C1 ZINC000946856156 788794989 /nfs/dbraw/zinc/79/49/89/788794989.db2.gz CNMGBRRDRPGZSG-ZCNNSNEGSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946856156 788794998 /nfs/dbraw/zinc/79/49/98/788794998.db2.gz CNMGBRRDRPGZSG-ZCNNSNEGSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946856156 788795009 /nfs/dbraw/zinc/79/50/09/788795009.db2.gz CNMGBRRDRPGZSG-ZCNNSNEGSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001091076268 789728202 /nfs/dbraw/zinc/72/82/02/789728202.db2.gz VGHNDXNHRVKOLE-KVZIAJEVSA-N 2 1 343.515 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001091076268 789728206 /nfs/dbraw/zinc/72/82/06/789728206.db2.gz VGHNDXNHRVKOLE-KVZIAJEVSA-N 2 1 343.515 2.149 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031772 791858931 /nfs/dbraw/zinc/85/89/31/791858931.db2.gz SFUXTSDQZZORQO-ZWKOTPCHSA-N 2 1 342.487 2.487 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031772 791858935 /nfs/dbraw/zinc/85/89/35/791858935.db2.gz SFUXTSDQZZORQO-ZWKOTPCHSA-N 2 1 342.487 2.487 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148278222 792321174 /nfs/dbraw/zinc/32/11/74/792321174.db2.gz UZCBPJQKWAGNHX-OAHLLOKOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148278222 792321185 /nfs/dbraw/zinc/32/11/85/792321185.db2.gz UZCBPJQKWAGNHX-OAHLLOKOSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926063 793000996 /nfs/dbraw/zinc/00/09/96/793000996.db2.gz OEBCPOBHFDJYIV-RTBURBONSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001086938323 793023168 /nfs/dbraw/zinc/02/31/68/793023168.db2.gz NKUJFQFVAYQDDK-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941006 793029480 /nfs/dbraw/zinc/02/94/80/793029480.db2.gz GZKHLEIPDYGQQR-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC000992194202 793168486 /nfs/dbraw/zinc/16/84/86/793168486.db2.gz WYJXKRTZDMEUBB-YVWKXTFCSA-N 2 1 342.487 2.443 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC000992194202 793168494 /nfs/dbraw/zinc/16/84/94/793168494.db2.gz WYJXKRTZDMEUBB-YVWKXTFCSA-N 2 1 342.487 2.443 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092101720 793562042 /nfs/dbraw/zinc/56/20/42/793562042.db2.gz MYHSBKHGUHDNGQ-CTNGQTDRSA-N 2 1 339.483 2.165 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001092657958 794204549 /nfs/dbraw/zinc/20/45/49/794204549.db2.gz AAMNSYBUYDHNSP-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092657958 794204559 /nfs/dbraw/zinc/20/45/59/794204559.db2.gz AAMNSYBUYDHNSP-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092657958 794204570 /nfs/dbraw/zinc/20/45/70/794204570.db2.gz AAMNSYBUYDHNSP-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079149782 794379683 /nfs/dbraw/zinc/37/96/83/794379683.db2.gz LDBINFZFPHHBCQ-IPMKNSEASA-N 2 1 345.462 2.380 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093374035 795108269 /nfs/dbraw/zinc/10/82/69/795108269.db2.gz XTLVCPRAPIIJSW-RTBURBONSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)CC[NH+]1CC(OC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001093574832 795385106 /nfs/dbraw/zinc/38/51/06/795385106.db2.gz CDHYFIGKCGKANW-KRWDZBQOSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001000208584 795533183 /nfs/dbraw/zinc/53/31/83/795533183.db2.gz MKPZMQQXDFNARY-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001094470587 796299688 /nfs/dbraw/zinc/29/96/88/796299688.db2.gz LHVPRTZVFVELRU-UYAOXDASSA-N 2 1 336.439 2.332 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993397136 796540255 /nfs/dbraw/zinc/54/02/55/796540255.db2.gz PSANJQHEAARWEY-ZBFHGGJFSA-N 2 1 333.501 2.416 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993397136 796540256 /nfs/dbraw/zinc/54/02/56/796540256.db2.gz PSANJQHEAARWEY-ZBFHGGJFSA-N 2 1 333.501 2.416 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001001475389 796941185 /nfs/dbraw/zinc/94/11/85/796941185.db2.gz CWKAFWXBJLZIDN-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C[N@H+]1CC[C@]2(CCN([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992054 797201712 /nfs/dbraw/zinc/20/17/12/797201712.db2.gz PWETXBIVTGMTBJ-GJYPPUQNSA-N 2 1 348.491 2.306 20 30 EEEDMP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992054 797201717 /nfs/dbraw/zinc/20/17/17/797201717.db2.gz PWETXBIVTGMTBJ-GJYPPUQNSA-N 2 1 348.491 2.306 20 30 EEEDMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992054 797201723 /nfs/dbraw/zinc/20/17/23/797201723.db2.gz PWETXBIVTGMTBJ-GJYPPUQNSA-N 2 1 348.491 2.306 20 30 EEEDMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992054 797201726 /nfs/dbraw/zinc/20/17/26/797201726.db2.gz PWETXBIVTGMTBJ-GJYPPUQNSA-N 2 1 348.491 2.306 20 30 EEEDMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992054 797201731 /nfs/dbraw/zinc/20/17/31/797201731.db2.gz PWETXBIVTGMTBJ-GJYPPUQNSA-N 2 1 348.491 2.306 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860116 797430664 /nfs/dbraw/zinc/43/06/64/797430664.db2.gz JWCQFQMUNUQHJW-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082595833 797605256 /nfs/dbraw/zinc/60/52/56/797605256.db2.gz GWWRKVBUMUZJDP-XYPHTWIQSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC=C(C)C)[C@H]2C)CC1 ZINC000994471072 798050547 /nfs/dbraw/zinc/05/05/47/798050547.db2.gz AKNDASOJFVAUCR-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401546 798383754 /nfs/dbraw/zinc/38/37/54/798383754.db2.gz VFIODIKJKDABIX-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401546 798383749 /nfs/dbraw/zinc/38/37/49/798383749.db2.gz VFIODIKJKDABIX-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401546 798383758 /nfs/dbraw/zinc/38/37/58/798383758.db2.gz VFIODIKJKDABIX-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944246 798568220 /nfs/dbraw/zinc/56/82/20/798568220.db2.gz BXAIXYHDPUPBGG-KURKYZTESA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944246 798568223 /nfs/dbraw/zinc/56/82/23/798568223.db2.gz BXAIXYHDPUPBGG-KURKYZTESA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001112585858 806695604 /nfs/dbraw/zinc/69/56/04/806695604.db2.gz VUJXSFSLBDEWGZ-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001177416285 798934141 /nfs/dbraw/zinc/93/41/41/798934141.db2.gz ZHNFRIUJJSPAMZ-UHFFFAOYSA-N 2 1 333.520 2.350 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001179799132 800107286 /nfs/dbraw/zinc/10/72/86/800107286.db2.gz LVUWTTYDAVAANV-YJBOKZPZSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001003938401 800580686 /nfs/dbraw/zinc/58/06/86/800580686.db2.gz CSXRLVANYMSJQD-UHFFFAOYSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181728006 800881442 /nfs/dbraw/zinc/88/14/42/800881442.db2.gz HRKFEKDQRVYXAS-JTDSTZFVSA-N 2 1 330.476 2.411 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001004460851 802131771 /nfs/dbraw/zinc/13/17/71/802131771.db2.gz XIZZISVKSBKRMA-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004460851 802131774 /nfs/dbraw/zinc/13/17/74/802131774.db2.gz XIZZISVKSBKRMA-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004460851 802131778 /nfs/dbraw/zinc/13/17/78/802131778.db2.gz XIZZISVKSBKRMA-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608318 802475438 /nfs/dbraw/zinc/47/54/38/802475438.db2.gz YPMOBVKOAJJMHA-SFHVURJKSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033162673 802701337 /nfs/dbraw/zinc/70/13/37/802701337.db2.gz UXSZZVYISNCWOQ-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033162673 802701340 /nfs/dbraw/zinc/70/13/40/802701340.db2.gz UXSZZVYISNCWOQ-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033162673 802701344 /nfs/dbraw/zinc/70/13/44/802701344.db2.gz UXSZZVYISNCWOQ-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033162673 802701345 /nfs/dbraw/zinc/70/13/45/802701345.db2.gz UXSZZVYISNCWOQ-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946729205 802916373 /nfs/dbraw/zinc/91/63/73/802916373.db2.gz XVNPABMVKUBTHE-OTWHNJEPSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946729205 802916378 /nfs/dbraw/zinc/91/63/78/802916378.db2.gz XVNPABMVKUBTHE-OTWHNJEPSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946729205 802916384 /nfs/dbraw/zinc/91/63/84/802916384.db2.gz XVNPABMVKUBTHE-OTWHNJEPSA-N 2 1 333.520 2.465 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033199513 803069270 /nfs/dbraw/zinc/06/92/70/803069270.db2.gz ULQFWTIGEHTZBQ-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033199513 803069277 /nfs/dbraw/zinc/06/92/77/803069277.db2.gz ULQFWTIGEHTZBQ-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033199513 803069282 /nfs/dbraw/zinc/06/92/82/803069282.db2.gz ULQFWTIGEHTZBQ-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033199513 803069289 /nfs/dbraw/zinc/06/92/89/803069289.db2.gz ULQFWTIGEHTZBQ-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001108433672 803562631 /nfs/dbraw/zinc/56/26/31/803562631.db2.gz IGAYRCAVWFNPQT-LJQANCHMSA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001108433672 803562633 /nfs/dbraw/zinc/56/26/33/803562633.db2.gz IGAYRCAVWFNPQT-LJQANCHMSA-N 2 1 337.508 2.036 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108780509 804502330 /nfs/dbraw/zinc/50/23/30/804502330.db2.gz DSIQZRGASRCDEX-FHWLQOOXSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001086609344 810020102 /nfs/dbraw/zinc/02/01/02/810020102.db2.gz BKUHEDQMKRMWEB-RBUKOAKNSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001086609344 810020109 /nfs/dbraw/zinc/02/01/09/810020109.db2.gz BKUHEDQMKRMWEB-RBUKOAKNSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001086609344 810020118 /nfs/dbraw/zinc/02/01/18/810020118.db2.gz BKUHEDQMKRMWEB-RBUKOAKNSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086624054 810936257 /nfs/dbraw/zinc/93/62/57/810936257.db2.gz LGYSZEREVHSODR-GBESFXJTSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086624054 810936263 /nfs/dbraw/zinc/93/62/63/810936263.db2.gz LGYSZEREVHSODR-GBESFXJTSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086624054 810936268 /nfs/dbraw/zinc/93/62/68/810936268.db2.gz LGYSZEREVHSODR-GBESFXJTSA-N 2 1 327.472 2.098 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001440114824 1093176482 /nfs/dbraw/zinc/17/64/82/1093176482.db2.gz FMUZOXHSQBLVKK-LPHOPBHVSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480713172 1106940889 /nfs/dbraw/zinc/94/08/89/1106940889.db2.gz ZJBLMCQYWFJHET-RTBURBONSA-N 2 1 342.487 2.417 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC001507328502 1115195066 /nfs/dbraw/zinc/19/50/66/1115195066.db2.gz PHHHMHAJKTVHTA-YOEHRIQHSA-N 2 1 346.450 2.118 20 30 EEEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000152767344 462579364 /nfs/dbraw/zinc/57/93/64/462579364.db2.gz NCPZEIFLUSLTQL-UHFFFAOYSA-N 2 1 341.440 2.166 20 30 EEEDMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000052209132 463069121 /nfs/dbraw/zinc/06/91/21/463069121.db2.gz IFIBWEIKEGZJFG-LJQANCHMSA-N 2 1 336.524 2.485 20 30 EEEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000052209132 463069126 /nfs/dbraw/zinc/06/91/26/463069126.db2.gz IFIBWEIKEGZJFG-LJQANCHMSA-N 2 1 336.524 2.485 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000068444291 463138302 /nfs/dbraw/zinc/13/83/02/463138302.db2.gz PMRUAKBKNUQHDM-HXUWFJFHSA-N 2 1 339.483 2.066 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000068444291 463138303 /nfs/dbraw/zinc/13/83/03/463138303.db2.gz PMRUAKBKNUQHDM-HXUWFJFHSA-N 2 1 339.483 2.066 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000139058131 463317739 /nfs/dbraw/zinc/31/77/39/463317739.db2.gz NFXPBTNREBLDSS-FUHWJXTLSA-N 2 1 334.508 2.153 20 30 EEEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150834629 463436605 /nfs/dbraw/zinc/43/66/05/463436605.db2.gz XJOXBUAPWMEIOS-MRXNPFEDSA-N 2 1 326.444 2.305 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+](C)C(C)C ZINC000264084359 464280989 /nfs/dbraw/zinc/28/09/89/464280989.db2.gz JGQHAYOLAJDVPE-LJQANCHMSA-N 3 1 345.535 2.415 20 30 EEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+](C)C(C)C ZINC000264084359 464280992 /nfs/dbraw/zinc/28/09/92/464280992.db2.gz JGQHAYOLAJDVPE-LJQANCHMSA-N 3 1 345.535 2.415 20 30 EEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+](C)C(C)C ZINC000264084359 464280995 /nfs/dbraw/zinc/28/09/95/464280995.db2.gz JGQHAYOLAJDVPE-LJQANCHMSA-N 3 1 345.535 2.415 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1c[nH]c2ccccc12 ZINC000267477538 464934308 /nfs/dbraw/zinc/93/43/08/464934308.db2.gz ZQFPREMQGQPORI-MRXNPFEDSA-N 2 1 327.476 2.489 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000366467993 465744938 /nfs/dbraw/zinc/74/49/38/465744938.db2.gz MHYJNTGJCIQMQT-FQEVSTJZSA-N 2 1 329.463 2.278 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000366467993 465744943 /nfs/dbraw/zinc/74/49/43/465744943.db2.gz MHYJNTGJCIQMQT-FQEVSTJZSA-N 2 1 329.463 2.278 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424181655 466998524 /nfs/dbraw/zinc/99/85/24/466998524.db2.gz ROFNHILNEYBHSX-SJLPKXTDSA-N 2 1 328.460 2.131 20 30 EEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1c(F)cccc1Cl ZINC000073772774 518569467 /nfs/dbraw/zinc/56/94/67/518569467.db2.gz CHUHAAVGEWFYLN-GFCCVEGCSA-N 2 1 326.847 2.438 20 30 EEEDMP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000949379087 676177135 /nfs/dbraw/zinc/17/71/35/676177135.db2.gz MUCUUDCTTNDNMQ-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC000949379087 676177136 /nfs/dbraw/zinc/17/71/36/676177136.db2.gz MUCUUDCTTNDNMQ-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC000949379087 676177137 /nfs/dbraw/zinc/17/71/37/676177137.db2.gz MUCUUDCTTNDNMQ-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001023888869 679672540 /nfs/dbraw/zinc/67/25/40/679672540.db2.gz FBRKBHIQSXPHAG-YOEHRIQHSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3C#N)C2)CCC1 ZINC000971675847 676733044 /nfs/dbraw/zinc/73/30/44/676733044.db2.gz BUKCVUBWHNETJW-GOSISDBHSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3C#N)C2)CCC1 ZINC000971675847 676733045 /nfs/dbraw/zinc/73/30/45/676733045.db2.gz BUKCVUBWHNETJW-GOSISDBHSA-N 2 1 340.471 2.075 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474667 677796216 /nfs/dbraw/zinc/79/62/16/677796216.db2.gz UMJHORYMQNEMCO-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474667 677796218 /nfs/dbraw/zinc/79/62/18/677796218.db2.gz UMJHORYMQNEMCO-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC000972267148 678470802 /nfs/dbraw/zinc/47/08/02/678470802.db2.gz SMCUTHZSEVARAK-RTBURBONSA-N 2 1 342.487 2.177 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023423305 679300481 /nfs/dbraw/zinc/30/04/81/679300481.db2.gz WKMZUKUJZMQBCR-HKUYNNGSSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023423305 679300483 /nfs/dbraw/zinc/30/04/83/679300483.db2.gz WKMZUKUJZMQBCR-HKUYNNGSSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023423305 679300484 /nfs/dbraw/zinc/30/04/84/679300484.db2.gz WKMZUKUJZMQBCR-HKUYNNGSSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023423305 679300486 /nfs/dbraw/zinc/30/04/86/679300486.db2.gz WKMZUKUJZMQBCR-HKUYNNGSSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023423305 679300488 /nfs/dbraw/zinc/30/04/88/679300488.db2.gz WKMZUKUJZMQBCR-HKUYNNGSSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972582558 679350256 /nfs/dbraw/zinc/35/02/56/679350256.db2.gz MHFACAHQNDRERN-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972582558 679350258 /nfs/dbraw/zinc/35/02/58/679350258.db2.gz MHFACAHQNDRERN-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001026921828 685308059 /nfs/dbraw/zinc/30/80/59/685308059.db2.gz YAAKKASVQBXZOP-RHSMWYFYSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617596 681282487 /nfs/dbraw/zinc/28/24/87/681282487.db2.gz KGAOKTCSEVITED-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617596 681282491 /nfs/dbraw/zinc/28/24/91/681282491.db2.gz KGAOKTCSEVITED-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617596 681282496 /nfs/dbraw/zinc/28/24/96/681282496.db2.gz KGAOKTCSEVITED-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617596 681282500 /nfs/dbraw/zinc/28/25/00/681282500.db2.gz KGAOKTCSEVITED-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024648887 681319693 /nfs/dbraw/zinc/31/96/93/681319693.db2.gz NDXYURAWOSXPNZ-FQEVSTJZSA-N 2 1 341.499 2.398 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001028603819 681362379 /nfs/dbraw/zinc/36/23/79/681362379.db2.gz IUQQYPXZZINXTP-UXHICEINSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001028603819 681362383 /nfs/dbraw/zinc/36/23/83/681362383.db2.gz IUQQYPXZZINXTP-UXHICEINSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028603819 681362388 /nfs/dbraw/zinc/36/23/88/681362388.db2.gz IUQQYPXZZINXTP-UXHICEINSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028603819 681362391 /nfs/dbraw/zinc/36/23/91/681362391.db2.gz IUQQYPXZZINXTP-UXHICEINSA-N 2 1 343.515 2.413 20 30 EEEDMP C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261822281 681583697 /nfs/dbraw/zinc/58/36/97/681583697.db2.gz UPTFTYWTRSDGPM-SUMWQHHRSA-N 2 1 340.475 2.019 20 30 EEEDMP C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261822281 681583702 /nfs/dbraw/zinc/58/37/02/681583702.db2.gz UPTFTYWTRSDGPM-SUMWQHHRSA-N 2 1 340.475 2.019 20 30 EEEDMP C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261822281 681583706 /nfs/dbraw/zinc/58/37/06/681583706.db2.gz UPTFTYWTRSDGPM-SUMWQHHRSA-N 2 1 340.475 2.019 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641477 681938001 /nfs/dbraw/zinc/93/80/01/681938001.db2.gz NDVUFBCESKFEBF-KVPLUYHFSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982641477 681938004 /nfs/dbraw/zinc/93/80/04/681938004.db2.gz NDVUFBCESKFEBF-KVPLUYHFSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982641477 681938007 /nfs/dbraw/zinc/93/80/07/681938007.db2.gz NDVUFBCESKFEBF-KVPLUYHFSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239745 682295375 /nfs/dbraw/zinc/29/53/75/682295375.db2.gz ITMQFKGBMDHEEH-ZWKOTPCHSA-N 2 1 331.504 2.340 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001025481610 682888799 /nfs/dbraw/zinc/88/87/99/682888799.db2.gz JLABXHMWPWXPCD-CVEARBPZSA-N 2 1 339.443 2.284 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514422 682941065 /nfs/dbraw/zinc/94/10/65/682941065.db2.gz BIOSLGMNGTWVKR-JKSUJKDBSA-N 2 1 331.460 2.195 20 30 EEEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929846426 683960506 /nfs/dbraw/zinc/96/05/06/683960506.db2.gz FBXBPMLQDZLBJU-QGZVFWFLSA-N 2 1 332.492 2.089 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929846426 683960507 /nfs/dbraw/zinc/96/05/07/683960507.db2.gz FBXBPMLQDZLBJU-QGZVFWFLSA-N 2 1 332.492 2.089 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974638096 685156696 /nfs/dbraw/zinc/15/66/96/685156696.db2.gz DETMUCVIXQBJSM-OAHLLOKOSA-N 2 1 333.501 2.273 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974638096 685156698 /nfs/dbraw/zinc/15/66/98/685156698.db2.gz DETMUCVIXQBJSM-OAHLLOKOSA-N 2 1 333.501 2.273 20 30 EEEDMP CC[C@@H]1CCCC[N@H+]1CCNC(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)=[NH+]C ZINC000262360197 685653504 /nfs/dbraw/zinc/65/35/04/685653504.db2.gz GPWPMCVLPVXLLE-YYIAUSFCSA-N 2 1 336.524 2.229 20 30 EEEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027682174 693950537 /nfs/dbraw/zinc/95/05/37/693950537.db2.gz LEKCPYCGLXBABN-LJQANCHMSA-N 2 1 340.471 2.077 20 30 EEEDMP C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)NC1CC[NH+](C(C)C)CC1 ZINC000262444362 686105340 /nfs/dbraw/zinc/10/53/40/686105340.db2.gz OUINMSSFAGWWLV-UHFFFAOYSA-N 2 1 342.491 2.409 20 30 EEEDMP C[C@@H]1C[NH+]=C(NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)N1 ZINC000262474411 686266701 /nfs/dbraw/zinc/26/67/01/686266701.db2.gz BSWMVWPJIKYLLB-IXDOHACOSA-N 2 1 344.503 2.133 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303899068 686937872 /nfs/dbraw/zinc/93/78/72/686937872.db2.gz VXNNPJZLSOOMEQ-BRWVUGGUSA-N 3 1 337.556 2.132 20 30 EEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000985655595 687405031 /nfs/dbraw/zinc/40/50/31/687405031.db2.gz ULXXBBHTMGBRGF-MRXNPFEDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000985655595 687405034 /nfs/dbraw/zinc/40/50/34/687405034.db2.gz ULXXBBHTMGBRGF-MRXNPFEDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001027420165 688041352 /nfs/dbraw/zinc/04/13/52/688041352.db2.gz QMAWKVMOWJHHCQ-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001027420165 688041357 /nfs/dbraw/zinc/04/13/57/688041357.db2.gz QMAWKVMOWJHHCQ-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001027420165 688041363 /nfs/dbraw/zinc/04/13/63/688041363.db2.gz QMAWKVMOWJHHCQ-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001027420165 688041367 /nfs/dbraw/zinc/04/13/67/688041367.db2.gz QMAWKVMOWJHHCQ-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)CC3CCC3)CC2)CC1 ZINC001030014927 689226038 /nfs/dbraw/zinc/22/60/38/689226038.db2.gz UNMJXGHSQFYICM-UHFFFAOYSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880099 1192633409 /nfs/dbraw/zinc/63/34/09/1192633409.db2.gz HXUWSYJICGMCOZ-OKYOBFRVSA-N 2 1 331.504 2.073 20 30 EEEDMP C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267102249 1178244996 /nfs/dbraw/zinc/24/49/96/1178244996.db2.gz YXQSVFUMXZZMSK-WOJBJXKFSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267102249 1178245000 /nfs/dbraw/zinc/24/50/00/1178245000.db2.gz YXQSVFUMXZZMSK-WOJBJXKFSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267102249 1178245006 /nfs/dbraw/zinc/24/50/06/1178245006.db2.gz YXQSVFUMXZZMSK-WOJBJXKFSA-N 2 1 339.483 2.055 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@H](C)C1 ZINC000944124009 1192897960 /nfs/dbraw/zinc/89/79/60/1192897960.db2.gz ZGXIWPSJWNIGJW-NVXWUHKLSA-N 2 1 339.443 2.284 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001481120381 1179801668 /nfs/dbraw/zinc/80/16/68/1179801668.db2.gz CJBYIZLHMKCDHD-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001481120381 1179801676 /nfs/dbraw/zinc/80/16/76/1179801676.db2.gz CJBYIZLHMKCDHD-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001481120381 1179801687 /nfs/dbraw/zinc/80/16/87/1179801687.db2.gz CJBYIZLHMKCDHD-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP C=CCCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001105487111 1188103912 /nfs/dbraw/zinc/10/39/12/1188103912.db2.gz PZJPWBDDZRAXNB-ZJRDLVKKSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105575012 1188189109 /nfs/dbraw/zinc/18/91/09/1188189109.db2.gz OZSIOZGDVKVPQW-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(Br)C[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168320820 1188291139 /nfs/dbraw/zinc/29/11/39/1188291139.db2.gz QXUGJOFKGTUBFJ-UHFFFAOYSA-N 2 1 346.313 2.111 20 30 EEEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168345544 1188311717 /nfs/dbraw/zinc/31/17/17/1188311717.db2.gz PWCYEVBQLUADLA-SFHVURJKSA-N 2 1 327.472 2.189 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000843815136 1188619521 /nfs/dbraw/zinc/61/95/21/1188619521.db2.gz PDUVDNVGMCQZLS-HOJAQTOUSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000843815136 1188619522 /nfs/dbraw/zinc/61/95/22/1188619522.db2.gz PDUVDNVGMCQZLS-HOJAQTOUSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000843815136 1188619523 /nfs/dbraw/zinc/61/95/23/1188619523.db2.gz PDUVDNVGMCQZLS-HOJAQTOUSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000843815136 1188619524 /nfs/dbraw/zinc/61/95/24/1188619524.db2.gz PDUVDNVGMCQZLS-HOJAQTOUSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000843815136 1188619526 /nfs/dbraw/zinc/61/95/26/1188619526.db2.gz PDUVDNVGMCQZLS-HOJAQTOUSA-N 2 1 339.483 2.111 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244374 1188805867 /nfs/dbraw/zinc/80/58/67/1188805867.db2.gz PSBHLIXVTOGCRX-FRQCXROJSA-N 2 1 337.483 2.308 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244374 1188805869 /nfs/dbraw/zinc/80/58/69/1188805869.db2.gz PSBHLIXVTOGCRX-FRQCXROJSA-N 2 1 337.483 2.308 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244374 1188805873 /nfs/dbraw/zinc/80/58/73/1188805873.db2.gz PSBHLIXVTOGCRX-FRQCXROJSA-N 2 1 337.483 2.308 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447259 1188923699 /nfs/dbraw/zinc/92/36/99/1188923699.db2.gz ZDIAOSLUWWUGTK-RBUKOAKNSA-N 2 1 331.504 2.217 20 30 EEEDMP N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)C1=O ZINC001272674266 1191017051 /nfs/dbraw/zinc/01/70/51/1191017051.db2.gz WZJXWEMTYCGFBX-LJQANCHMSA-N 2 1 337.427 2.434 20 30 EEEDMP N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)C1=O ZINC001272674266 1191017054 /nfs/dbraw/zinc/01/70/54/1191017054.db2.gz WZJXWEMTYCGFBX-LJQANCHMSA-N 2 1 337.427 2.434 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818016 1194440742 /nfs/dbraw/zinc/44/07/42/1194440742.db2.gz ALYBXPBUGGNMJF-IYWMVGAKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818016 1194440744 /nfs/dbraw/zinc/44/07/44/1194440744.db2.gz ALYBXPBUGGNMJF-IYWMVGAKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818016 1194440746 /nfs/dbraw/zinc/44/07/46/1194440746.db2.gz ALYBXPBUGGNMJF-IYWMVGAKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001033682211 1195063066 /nfs/dbraw/zinc/06/30/66/1195063066.db2.gz ASLLIKSOKIOHNP-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304326 1196093049 /nfs/dbraw/zinc/09/30/49/1196093049.db2.gz RQEDHZCXRHIYSU-INIZCTEOSA-N 2 1 339.443 2.428 20 30 EEEDMP C[NH+](C)CC1(C[N@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)CCCC1 ZINC001273135863 1196360634 /nfs/dbraw/zinc/36/06/34/1196360634.db2.gz JJAAWDPOVQAPFN-HXUWFJFHSA-N 2 1 346.519 2.337 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310421 1199559940 /nfs/dbraw/zinc/55/99/40/1199559940.db2.gz KOGABERNRGGLSA-ICSRJNTNSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310421 1199559944 /nfs/dbraw/zinc/55/99/44/1199559944.db2.gz KOGABERNRGGLSA-ICSRJNTNSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310421 1199559950 /nfs/dbraw/zinc/55/99/50/1199559950.db2.gz KOGABERNRGGLSA-ICSRJNTNSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310421 1199559955 /nfs/dbraw/zinc/55/99/55/1199559955.db2.gz KOGABERNRGGLSA-ICSRJNTNSA-N 2 1 341.499 2.153 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132522266 1199832365 /nfs/dbraw/zinc/83/23/65/1199832365.db2.gz NSCLIHYAAJEBCV-APWZRJJASA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132522266 1199832367 /nfs/dbraw/zinc/83/23/67/1199832367.db2.gz NSCLIHYAAJEBCV-APWZRJJASA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132522266 1199832370 /nfs/dbraw/zinc/83/23/70/1199832370.db2.gz NSCLIHYAAJEBCV-APWZRJJASA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132522266 1199832374 /nfs/dbraw/zinc/83/23/74/1199832374.db2.gz NSCLIHYAAJEBCV-APWZRJJASA-N 2 1 342.487 2.368 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC(F)(F)F ZINC000104158611 1204610593 /nfs/dbraw/zinc/61/05/93/1204610593.db2.gz JIWSLJOZZGRMTJ-CYBMUJFWSA-N 2 1 344.381 2.474 20 30 EEEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])NCC2CCC2)CC1 ZINC000104166070 1204611553 /nfs/dbraw/zinc/61/15/53/1204611553.db2.gz OIJGOJHFXLUUJK-UHFFFAOYSA-N 2 1 343.519 2.029 20 30 EEEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccccn2)CC3)cc1C#N ZINC001275872475 1205572938 /nfs/dbraw/zinc/57/29/38/1205572938.db2.gz IQBJUIVFQZGPBE-UHFFFAOYSA-N 2 1 335.455 2.390 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCC(C)C)CC1 ZINC000948449725 1209145770 /nfs/dbraw/zinc/14/57/70/1209145770.db2.gz WAHNGDHHZKZPFX-MOPGFXCFSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCC(C)C)CC1 ZINC000948449725 1209145774 /nfs/dbraw/zinc/14/57/74/1209145774.db2.gz WAHNGDHHZKZPFX-MOPGFXCFSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC(C)C)CC1 ZINC000948449725 1209145776 /nfs/dbraw/zinc/14/57/76/1209145776.db2.gz WAHNGDHHZKZPFX-MOPGFXCFSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC(C)C)CC1 ZINC000948449725 1209145779 /nfs/dbraw/zinc/14/57/79/1209145779.db2.gz WAHNGDHHZKZPFX-MOPGFXCFSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948779237 1209370830 /nfs/dbraw/zinc/37/08/30/1209370830.db2.gz LMYHVUOOGIYEAF-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948779237 1209370832 /nfs/dbraw/zinc/37/08/32/1209370832.db2.gz LMYHVUOOGIYEAF-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000949531600 1209730362 /nfs/dbraw/zinc/73/03/62/1209730362.db2.gz MDLLAMLYQZLOTJ-UHFFFAOYSA-N 2 1 349.519 2.132 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSCc1ccccc1F ZINC000303780765 1213905588 /nfs/dbraw/zinc/90/55/88/1213905588.db2.gz LPEYDWARASYYNC-OAHLLOKOSA-N 2 1 338.496 2.448 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733074 1225605774 /nfs/dbraw/zinc/60/57/74/1225605774.db2.gz LCAPVMBCEVFTPQ-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733074 1225605775 /nfs/dbraw/zinc/60/57/75/1225605775.db2.gz LCAPVMBCEVFTPQ-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733074 1225605776 /nfs/dbraw/zinc/60/57/76/1225605776.db2.gz LCAPVMBCEVFTPQ-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1Cl ZINC000304814390 1216107318 /nfs/dbraw/zinc/10/73/18/1216107318.db2.gz ZPJOFWVJJOYXDD-UONOGXRCSA-N 2 1 338.883 2.496 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961196860 1217083080 /nfs/dbraw/zinc/08/30/80/1217083080.db2.gz JPBDLMARNLQXDO-QZTJIDSGSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961196860 1217083083 /nfs/dbraw/zinc/08/30/83/1217083083.db2.gz JPBDLMARNLQXDO-QZTJIDSGSA-N 2 1 330.476 2.328 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961260104 1217115527 /nfs/dbraw/zinc/11/55/27/1217115527.db2.gz KAYWKCLSKIGQCO-WOJBJXKFSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000961375836 1217164077 /nfs/dbraw/zinc/16/40/77/1217164077.db2.gz XOFYUMOCKROENR-UXHICEINSA-N 2 1 345.531 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008337371 1222770385 /nfs/dbraw/zinc/77/03/85/1222770385.db2.gz DLYZPCRKEVULEO-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008337371 1222770387 /nfs/dbraw/zinc/77/03/87/1222770387.db2.gz DLYZPCRKEVULEO-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CC4(CCC4)C3)C2)CC1 ZINC001016336073 1226358453 /nfs/dbraw/zinc/35/84/53/1226358453.db2.gz HYCMKMNKIOGEIW-LJQANCHMSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016671214 1226758100 /nfs/dbraw/zinc/75/81/00/1226758100.db2.gz VHJGWPNWWRJUJZ-ROUUACIJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016671214 1226758106 /nfs/dbraw/zinc/75/81/06/1226758106.db2.gz VHJGWPNWWRJUJZ-ROUUACIJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039183356 1230411501 /nfs/dbraw/zinc/41/15/01/1230411501.db2.gz ZWARRJAUWQJTDM-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230372 1230462915 /nfs/dbraw/zinc/46/29/15/1230462915.db2.gz QJPNECLMOIEGCA-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230372 1230462918 /nfs/dbraw/zinc/46/29/18/1230462918.db2.gz QJPNECLMOIEGCA-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001039312114 1230521604 /nfs/dbraw/zinc/52/16/04/1230521604.db2.gz LDDUSHYMMIQZNH-MVCQKVDPSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001039386836 1230571516 /nfs/dbraw/zinc/57/15/16/1230571516.db2.gz GHBPCHQDWWAQIN-QYZOEREBSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001039386836 1230571519 /nfs/dbraw/zinc/57/15/19/1230571519.db2.gz GHBPCHQDWWAQIN-QYZOEREBSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039386836 1230571520 /nfs/dbraw/zinc/57/15/20/1230571520.db2.gz GHBPCHQDWWAQIN-QYZOEREBSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039386836 1230571522 /nfs/dbraw/zinc/57/15/22/1230571522.db2.gz GHBPCHQDWWAQIN-QYZOEREBSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040272903 1231144546 /nfs/dbraw/zinc/14/45/46/1231144546.db2.gz ACIUHBUVTBJLLV-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001040295723 1231156541 /nfs/dbraw/zinc/15/65/41/1231156541.db2.gz ICNWKBDTDKORFK-HXUWFJFHSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001040295723 1231156544 /nfs/dbraw/zinc/15/65/44/1231156544.db2.gz ICNWKBDTDKORFK-HXUWFJFHSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314016 1231164837 /nfs/dbraw/zinc/16/48/37/1231164837.db2.gz QNDSJTWZZPMHFI-AZUAARDMSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001040393734 1231204944 /nfs/dbraw/zinc/20/49/44/1231204944.db2.gz DCCURYUAFKGHFU-UXHICEINSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001040393734 1231204946 /nfs/dbraw/zinc/20/49/46/1231204946.db2.gz DCCURYUAFKGHFU-UXHICEINSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001040393734 1231204947 /nfs/dbraw/zinc/20/49/47/1231204947.db2.gz DCCURYUAFKGHFU-UXHICEINSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464012 1231247413 /nfs/dbraw/zinc/24/74/13/1231247413.db2.gz KBQBHQLCVIFVFZ-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041396474 1231530577 /nfs/dbraw/zinc/53/05/77/1231530577.db2.gz SZSKYJOSKJPYSP-IBGZPJMESA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042217576 1231961095 /nfs/dbraw/zinc/96/10/95/1231961095.db2.gz YXDYEIFLBBROMQ-ZBFHGGJFSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042217576 1231961099 /nfs/dbraw/zinc/96/10/99/1231961099.db2.gz YXDYEIFLBBROMQ-ZBFHGGJFSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCC4CC4)[C@@H]3C2)CC1 ZINC001042369412 1232051182 /nfs/dbraw/zinc/05/11/82/1232051182.db2.gz XTSYZVGQBJSGRS-AZUAARDMSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C/C=C\Cl)CC1 ZINC001045895834 1234127752 /nfs/dbraw/zinc/12/77/52/1234127752.db2.gz PNQNBOWPAPQOQP-KASRQXQDSA-N 2 1 349.906 2.149 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045966332 1234245545 /nfs/dbraw/zinc/24/55/45/1234245545.db2.gz UANIVKALFIBOPD-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966332 1234245549 /nfs/dbraw/zinc/24/55/49/1234245549.db2.gz UANIVKALFIBOPD-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966332 1234245553 /nfs/dbraw/zinc/24/55/53/1234245553.db2.gz UANIVKALFIBOPD-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001046955013 1235352890 /nfs/dbraw/zinc/35/28/90/1235352890.db2.gz WPAOWBGTTGPUJB-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046955013 1235352893 /nfs/dbraw/zinc/35/28/93/1235352893.db2.gz WPAOWBGTTGPUJB-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046955013 1235352896 /nfs/dbraw/zinc/35/28/96/1235352896.db2.gz WPAOWBGTTGPUJB-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047245275 1235737297 /nfs/dbraw/zinc/73/72/97/1235737297.db2.gz YDRLSTJWILTOEI-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001000101254 1239943345 /nfs/dbraw/zinc/94/33/45/1239943345.db2.gz PEKSRARCJYDWSG-HNNXBMFYSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001000101254 1239943357 /nfs/dbraw/zinc/94/33/57/1239943357.db2.gz PEKSRARCJYDWSG-HNNXBMFYSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049234403 1240337262 /nfs/dbraw/zinc/33/72/62/1240337262.db2.gz FIVDMNBALXRYPP-BBWFWOEESA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050662672 1244071288 /nfs/dbraw/zinc/07/12/88/1244071288.db2.gz LYMQKFDEVKIWKB-AWEZNQCLSA-N 2 1 325.884 2.005 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709784 1244804741 /nfs/dbraw/zinc/80/47/41/1244804741.db2.gz RVJRBNKGXLBTNO-HXUWFJFHSA-N 2 1 341.499 2.398 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712098 1244808985 /nfs/dbraw/zinc/80/89/85/1244808985.db2.gz FHIGBPNNJQWXOW-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712098 1244808991 /nfs/dbraw/zinc/80/89/91/1244808991.db2.gz FHIGBPNNJQWXOW-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954893 1245549041 /nfs/dbraw/zinc/54/90/41/1245549041.db2.gz VYFRVRJAIZUHLD-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053035086 1245730186 /nfs/dbraw/zinc/73/01/86/1245730186.db2.gz ZNVPKSUUHAOXHZ-RTBURBONSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053035086 1245730194 /nfs/dbraw/zinc/73/01/94/1245730194.db2.gz ZNVPKSUUHAOXHZ-RTBURBONSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053090534 1245875342 /nfs/dbraw/zinc/87/53/42/1245875342.db2.gz GXBLCOBSSJETHD-RBUKOAKNSA-N 2 1 342.487 2.308 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053090534 1245875351 /nfs/dbraw/zinc/87/53/51/1245875351.db2.gz GXBLCOBSSJETHD-RBUKOAKNSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107607 1245926788 /nfs/dbraw/zinc/92/67/88/1245926788.db2.gz KCUDWPRYQHHEKK-OALUTQOASA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107607 1245926793 /nfs/dbraw/zinc/92/67/93/1245926793.db2.gz KCUDWPRYQHHEKK-OALUTQOASA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101574866 1245978632 /nfs/dbraw/zinc/97/86/32/1245978632.db2.gz HGZFIUDHBNSPGO-WMZOPIPTSA-N 2 1 333.520 2.062 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001101597413 1246007246 /nfs/dbraw/zinc/00/72/46/1246007246.db2.gz JPTBZWQPIVCQKR-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054134234 1247485509 /nfs/dbraw/zinc/48/55/09/1247485509.db2.gz XLEILNYWRGFDJJ-ICSRJNTNSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589679 1247619575 /nfs/dbraw/zinc/61/95/75/1247619575.db2.gz MMFHOYBENPTFOW-SFHVURJKSA-N 2 1 327.472 2.008 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589678 1247620295 /nfs/dbraw/zinc/62/02/95/1247620295.db2.gz MMFHOYBENPTFOW-GOSISDBHSA-N 2 1 327.472 2.008 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245088 1247860561 /nfs/dbraw/zinc/86/05/61/1247860561.db2.gz OOIXFPCFXSAZCV-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245193 1247863444 /nfs/dbraw/zinc/86/34/44/1247863444.db2.gz PNHPAKHJYPFIMY-FQEVSTJZSA-N 2 1 331.504 2.200 20 30 EEEDMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001134723359 1278007187 /nfs/dbraw/zinc/00/71/87/1278007187.db2.gz FSDNQGBJYSZYOY-UHFFFAOYSA-N 2 1 339.443 2.174 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258600 1280762072 /nfs/dbraw/zinc/76/20/72/1280762072.db2.gz LEUKNBXSFVYGRI-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258600 1280762082 /nfs/dbraw/zinc/76/20/82/1280762082.db2.gz LEUKNBXSFVYGRI-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001190258600 1280762093 /nfs/dbraw/zinc/76/20/93/1280762093.db2.gz LEUKNBXSFVYGRI-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001190258600 1280762101 /nfs/dbraw/zinc/76/21/01/1280762101.db2.gz LEUKNBXSFVYGRI-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)[C@@H]2C1 ZINC001190467782 1280916526 /nfs/dbraw/zinc/91/65/26/1280916526.db2.gz YQDNDDXAAITCEF-RBUKOAKNSA-N 2 1 327.472 2.227 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190467782 1280916530 /nfs/dbraw/zinc/91/65/30/1280916530.db2.gz YQDNDDXAAITCEF-RBUKOAKNSA-N 2 1 327.472 2.227 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190467782 1280916535 /nfs/dbraw/zinc/91/65/35/1280916535.db2.gz YQDNDDXAAITCEF-RBUKOAKNSA-N 2 1 327.472 2.227 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190467782 1280916538 /nfs/dbraw/zinc/91/65/38/1280916538.db2.gz YQDNDDXAAITCEF-RBUKOAKNSA-N 2 1 327.472 2.227 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190467782 1280916545 /nfs/dbraw/zinc/91/65/45/1280916545.db2.gz YQDNDDXAAITCEF-RBUKOAKNSA-N 2 1 327.472 2.227 20 30 EEEDMP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192865735 1282196842 /nfs/dbraw/zinc/19/68/42/1282196842.db2.gz DVADTGVHZTUNMU-SFHVURJKSA-N 2 1 339.524 2.212 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192865735 1282196845 /nfs/dbraw/zinc/19/68/45/1282196845.db2.gz DVADTGVHZTUNMU-SFHVURJKSA-N 2 1 339.524 2.212 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001192959460 1282246906 /nfs/dbraw/zinc/24/69/06/1282246906.db2.gz JBBDCBNTOZAABS-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001192959460 1282246909 /nfs/dbraw/zinc/24/69/09/1282246909.db2.gz JBBDCBNTOZAABS-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001196341417 1284009590 /nfs/dbraw/zinc/00/95/90/1284009590.db2.gz OMPCAZPRFSKNIO-IRXDYDNUSA-N 2 1 330.476 2.335 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001197885610 1284867058 /nfs/dbraw/zinc/86/70/58/1284867058.db2.gz JPWAMPDJVDJLQF-UHFFFAOYSA-N 2 1 341.499 2.304 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001197885610 1284867073 /nfs/dbraw/zinc/86/70/73/1284867073.db2.gz JPWAMPDJVDJLQF-UHFFFAOYSA-N 2 1 341.499 2.304 20 30 EEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202197430 1289941801 /nfs/dbraw/zinc/94/18/01/1289941801.db2.gz QHAYACMWGAGTHB-MRXNPFEDSA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702454 1294756531 /nfs/dbraw/zinc/75/65/31/1294756531.db2.gz ZTJFOSWCDLEDAA-PKOBYXMFSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001072738547 1296086721 /nfs/dbraw/zinc/08/67/21/1296086721.db2.gz YZWIWYKDEFZTHD-SFHVURJKSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738547 1296086731 /nfs/dbraw/zinc/08/67/31/1296086731.db2.gz YZWIWYKDEFZTHD-SFHVURJKSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738547 1296086743 /nfs/dbraw/zinc/08/67/43/1296086743.db2.gz YZWIWYKDEFZTHD-SFHVURJKSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636724 1296539615 /nfs/dbraw/zinc/53/96/15/1296539615.db2.gz QCFVKVQJADRYJX-ZIFCJYIRSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C ZINC001220868505 1298566769 /nfs/dbraw/zinc/56/67/69/1298566769.db2.gz LCYBKSLDTRKPFL-IRXDYDNUSA-N 2 1 335.879 2.237 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098874868 1298734076 /nfs/dbraw/zinc/73/40/76/1298734076.db2.gz ILOADAPOMUCYKF-NSHGMRRFSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098874868 1298734083 /nfs/dbraw/zinc/73/40/83/1298734083.db2.gz ILOADAPOMUCYKF-NSHGMRRFSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098874868 1298734088 /nfs/dbraw/zinc/73/40/88/1298734088.db2.gz ILOADAPOMUCYKF-NSHGMRRFSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157727 1300445095 /nfs/dbraw/zinc/44/50/95/1300445095.db2.gz NSJZEJLELUNHBP-HZPDHXFCSA-N 2 1 330.476 2.022 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157727 1300445103 /nfs/dbraw/zinc/44/51/03/1300445103.db2.gz NSJZEJLELUNHBP-HZPDHXFCSA-N 2 1 330.476 2.022 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102595989 1301269550 /nfs/dbraw/zinc/26/95/50/1301269550.db2.gz IOEWHXQFLSAGCD-GDBMZVCRSA-N 2 1 327.900 2.299 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396934 1302905259 /nfs/dbraw/zinc/90/52/59/1302905259.db2.gz QLFIOIWMBKDCDL-HUUCEWRRSA-N 2 1 348.516 2.146 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230286288 1303142964 /nfs/dbraw/zinc/14/29/64/1303142964.db2.gz ILTLCRUQJFJBAI-GUDVDZBRSA-N 2 1 327.472 2.330 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001246302280 1310277080 /nfs/dbraw/zinc/27/70/80/1310277080.db2.gz CAQJCSCNQBNEJK-YJBOKZPZSA-N 2 1 329.444 2.306 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149841849 1316062024 /nfs/dbraw/zinc/06/20/24/1316062024.db2.gz KYRZLZGQILMOIO-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149841849 1316062028 /nfs/dbraw/zinc/06/20/28/1316062028.db2.gz KYRZLZGQILMOIO-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149841849 1316062033 /nfs/dbraw/zinc/06/20/33/1316062033.db2.gz KYRZLZGQILMOIO-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001150403863 1316258823 /nfs/dbraw/zinc/25/88/23/1316258823.db2.gz QNKHQKLPJCPPIM-QGZVFWFLSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001150403863 1316258825 /nfs/dbraw/zinc/25/88/25/1316258825.db2.gz QNKHQKLPJCPPIM-QGZVFWFLSA-N 2 1 348.491 2.180 20 30 EEEDMP CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386714 1316665083 /nfs/dbraw/zinc/66/50/83/1316665083.db2.gz PBPJRSBZKYTXJT-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152386714 1316665085 /nfs/dbraw/zinc/66/50/85/1316665085.db2.gz PBPJRSBZKYTXJT-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152386714 1316665092 /nfs/dbraw/zinc/66/50/92/1316665092.db2.gz PBPJRSBZKYTXJT-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824849 1316893414 /nfs/dbraw/zinc/89/34/14/1316893414.db2.gz ZIVOZTNPSRJEHH-YLJYHZDGSA-N 2 1 341.499 2.205 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001155289379 1317539979 /nfs/dbraw/zinc/53/99/79/1317539979.db2.gz PMAZCSLHKFCERE-KDOFPFPSSA-N 2 1 348.466 2.364 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001252463444 1317607095 /nfs/dbraw/zinc/60/70/95/1317607095.db2.gz OOSMHHGUBQOMDB-GOSISDBHSA-N 2 1 334.460 2.131 20 30 EEEDMP C=C[C@@](C)(O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001252553491 1317635259 /nfs/dbraw/zinc/63/52/59/1317635259.db2.gz YFERKKFCDKKLKV-HBMCJLEFSA-N 2 1 348.531 2.384 20 30 EEEDMP C=C[C@@](C)(O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001252553491 1317635263 /nfs/dbraw/zinc/63/52/63/1317635263.db2.gz YFERKKFCDKKLKV-HBMCJLEFSA-N 2 1 348.531 2.384 20 30 EEEDMP C=C[C@@](C)(O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001252553491 1317635266 /nfs/dbraw/zinc/63/52/66/1317635266.db2.gz YFERKKFCDKKLKV-HBMCJLEFSA-N 2 1 348.531 2.384 20 30 EEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001158154894 1319047024 /nfs/dbraw/zinc/04/70/24/1319047024.db2.gz BHERDDSFOQSHBT-OAHLLOKOSA-N 2 1 334.464 2.239 20 30 EEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001158154894 1319047029 /nfs/dbraw/zinc/04/70/29/1319047029.db2.gz BHERDDSFOQSHBT-OAHLLOKOSA-N 2 1 334.464 2.239 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001160266552 1320116255 /nfs/dbraw/zinc/11/62/55/1320116255.db2.gz FKAWPAQOXVMGFY-KRWDZBQOSA-N 2 1 346.450 2.168 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC(=C)C)CC1 ZINC001160386395 1320152191 /nfs/dbraw/zinc/15/21/91/1320152191.db2.gz WSSUTHAECRQSAW-IBGZPJMESA-N 2 1 329.488 2.189 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC(=C)C)CC1 ZINC001160386395 1320152195 /nfs/dbraw/zinc/15/21/95/1320152195.db2.gz WSSUTHAECRQSAW-IBGZPJMESA-N 2 1 329.488 2.189 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(=C)C)CC1 ZINC001160386395 1320152197 /nfs/dbraw/zinc/15/21/97/1320152197.db2.gz WSSUTHAECRQSAW-IBGZPJMESA-N 2 1 329.488 2.189 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(=C)C)CC1 ZINC001160386395 1320152202 /nfs/dbraw/zinc/15/22/02/1320152202.db2.gz WSSUTHAECRQSAW-IBGZPJMESA-N 2 1 329.488 2.189 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001166626675 1321752728 /nfs/dbraw/zinc/75/27/28/1321752728.db2.gz IZCVVSKMZWRVHX-INIZCTEOSA-N 2 1 347.890 2.272 20 30 EEEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205290318 1322343013 /nfs/dbraw/zinc/34/30/13/1322343013.db2.gz GMASZYNCNLMHNY-SFHVURJKSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001206274884 1323443596 /nfs/dbraw/zinc/44/35/96/1323443596.db2.gz MOYLRIBPODJDAA-LJQANCHMSA-N 2 1 337.483 2.050 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207006815 1323786192 /nfs/dbraw/zinc/78/61/92/1323786192.db2.gz AYRLJPQXQYICBC-BRWVUGGUSA-N 2 1 348.491 2.036 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207006815 1323786201 /nfs/dbraw/zinc/78/62/01/1323786201.db2.gz AYRLJPQXQYICBC-BRWVUGGUSA-N 2 1 348.491 2.036 20 30 EEEDMP C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207435395 1323971784 /nfs/dbraw/zinc/97/17/84/1323971784.db2.gz NEQDRYYRRJCLSU-UHFFFAOYSA-N 2 1 344.503 2.353 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209278903 1324880723 /nfs/dbraw/zinc/88/07/23/1324880723.db2.gz SDZURKBPUZSWJS-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001332012755 1335705726 /nfs/dbraw/zinc/70/57/26/1335705726.db2.gz MLGZOOGOPYMRMT-GOSISDBHSA-N 2 1 346.519 2.180 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001332012755 1335705728 /nfs/dbraw/zinc/70/57/28/1335705728.db2.gz MLGZOOGOPYMRMT-GOSISDBHSA-N 2 1 346.519 2.180 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001134759242 1367776980 /nfs/dbraw/zinc/77/69/80/1367776980.db2.gz JMPWFHVZVLDSAO-GOSISDBHSA-N 2 1 328.460 2.027 20 30 EEEDMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001134759740 1367779029 /nfs/dbraw/zinc/77/90/29/1367779029.db2.gz ZVHVGSGRVTWEQA-SFHVURJKSA-N 2 1 346.450 2.166 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001134759740 1367779035 /nfs/dbraw/zinc/77/90/35/1367779035.db2.gz ZVHVGSGRVTWEQA-SFHVURJKSA-N 2 1 346.450 2.166 20 30 EEEDMP C[NH+]1C[C@@]2(C)C[NH+](CCC(=O)Nc3ccccc3C#N)C[C@]2(C)C1 ZINC000931307805 1369888262 /nfs/dbraw/zinc/88/82/62/1369888262.db2.gz OJLMXLIWJBZDOK-OALUTQOASA-N 2 1 326.444 2.160 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001046990875 1370046418 /nfs/dbraw/zinc/04/64/18/1370046418.db2.gz XLXQYOSNJPWIIB-RDJZCZTQSA-N 2 1 341.446 2.122 20 30 EEEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001046990875 1370046422 /nfs/dbraw/zinc/04/64/22/1370046422.db2.gz XLXQYOSNJPWIIB-RDJZCZTQSA-N 2 1 341.446 2.122 20 30 EEEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001046990875 1370046429 /nfs/dbraw/zinc/04/64/29/1370046429.db2.gz XLXQYOSNJPWIIB-RDJZCZTQSA-N 2 1 341.446 2.122 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353347 1371410214 /nfs/dbraw/zinc/41/02/14/1371410214.db2.gz CVPCAJKPKGSCKE-BJLQDIEVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200577671 1373055550 /nfs/dbraw/zinc/05/55/50/1373055550.db2.gz CXQWIAHCJWJPGZ-QGZVFWFLSA-N 2 1 331.504 2.245 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001399075986 1394659820 /nfs/dbraw/zinc/65/98/20/1394659820.db2.gz AHEZYYMKJMSBEJ-OAHLLOKOSA-N 2 1 339.443 2.138 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1cccc(C#N)c1 ZINC001399904507 1395627203 /nfs/dbraw/zinc/62/72/03/1395627203.db2.gz OIVWBLSYZTWPTA-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001399904507 1395627220 /nfs/dbraw/zinc/62/72/20/1395627220.db2.gz OIVWBLSYZTWPTA-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001399904507 1395627229 /nfs/dbraw/zinc/62/72/29/1395627229.db2.gz OIVWBLSYZTWPTA-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001402247148 1397893651 /nfs/dbraw/zinc/89/36/51/1397893651.db2.gz IIKHUJPJKGURIS-HNNXBMFYSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001755501332 1407545252 /nfs/dbraw/zinc/54/52/52/1407545252.db2.gz KOWZIWUWNHQKKE-LPHOPBHVSA-N 2 1 345.462 2.298 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001755501332 1407545259 /nfs/dbraw/zinc/54/52/59/1407545259.db2.gz KOWZIWUWNHQKKE-LPHOPBHVSA-N 2 1 345.462 2.298 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c(F)cccc1Cl ZINC000305050995 1409798057 /nfs/dbraw/zinc/79/80/57/1409798057.db2.gz CPCHZQOIKYZBHI-LBPRGKRZSA-N 2 1 326.847 2.410 20 30 EEEDMP CC(C)[N@H+](C)Cc1nn(-c2ccc3[nH]c(C#N)cc3n2)c2c1CC[NH2+]C2 ZINC001164679826 719635816 /nfs/dbraw/zinc/63/58/16/719635816.db2.gz ODNKRFUYDQKUGN-UHFFFAOYSA-N 2 1 349.442 2.106 20 30 EEEDMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3[nH]c(C#N)cc3n2)c2c1CC[NH2+]C2 ZINC001164679826 719635820 /nfs/dbraw/zinc/63/58/20/719635820.db2.gz ODNKRFUYDQKUGN-UHFFFAOYSA-N 2 1 349.442 2.106 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087791073 782257033 /nfs/dbraw/zinc/25/70/33/782257033.db2.gz UTHUXKBXMVZCNT-RBUKOAKNSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439740 782355034 /nfs/dbraw/zinc/35/50/34/782355034.db2.gz UEHQZVXFBQERCL-IEBWSBKVSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439740 782355040 /nfs/dbraw/zinc/35/50/40/782355040.db2.gz UEHQZVXFBQERCL-IEBWSBKVSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439740 782355049 /nfs/dbraw/zinc/35/50/49/782355049.db2.gz UEHQZVXFBQERCL-IEBWSBKVSA-N 2 1 331.504 2.340 20 30 EEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104679960 764718828 /nfs/dbraw/zinc/71/88/28/764718828.db2.gz NHAAFDXNRQZMJT-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000979715785 770939421 /nfs/dbraw/zinc/93/94/21/770939421.db2.gz RXSKNNYOTVBTOA-FHWLQOOXSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000980004969 773701441 /nfs/dbraw/zinc/70/14/41/773701441.db2.gz WQKKDGAQBLMQAG-OKZBNKHCSA-N 2 1 331.504 2.265 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980182696 774019707 /nfs/dbraw/zinc/01/97/07/774019707.db2.gz DLZWUYMVTHIABG-RCCFBDPRSA-N 2 1 342.487 2.247 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980182696 774019710 /nfs/dbraw/zinc/01/97/10/774019710.db2.gz DLZWUYMVTHIABG-RCCFBDPRSA-N 2 1 342.487 2.247 20 30 EEEDMP CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001089660836 774047465 /nfs/dbraw/zinc/04/74/65/774047465.db2.gz QGEXHGLASOIQJI-SJORKVTESA-N 2 1 342.487 2.076 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CC[C@@H]2C1 ZINC000946780014 783201496 /nfs/dbraw/zinc/20/14/96/783201496.db2.gz XSZFFNYWYVWHCS-QKLQHJQFSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CC[C@@H]2C1 ZINC000946780014 783201504 /nfs/dbraw/zinc/20/15/04/783201504.db2.gz XSZFFNYWYVWHCS-QKLQHJQFSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CC[C@@H]2C1 ZINC000946780014 783201511 /nfs/dbraw/zinc/20/15/11/783201511.db2.gz XSZFFNYWYVWHCS-QKLQHJQFSA-N 2 1 349.494 2.003 20 30 EEEDMP N#CCCCOc1cccc(C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000238138051 774741866 /nfs/dbraw/zinc/74/18/66/774741866.db2.gz YPJJQRXTZPCOHK-UHFFFAOYSA-N 2 1 331.460 2.306 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089734831 774812244 /nfs/dbraw/zinc/81/22/44/774812244.db2.gz YPZDTUAGMHIXPN-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734831 774812255 /nfs/dbraw/zinc/81/22/55/774812255.db2.gz YPZDTUAGMHIXPN-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734831 774812263 /nfs/dbraw/zinc/81/22/63/774812263.db2.gz YPZDTUAGMHIXPN-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC000997623661 790468070 /nfs/dbraw/zinc/46/80/70/790468070.db2.gz HBOGFABJUOKKNM-LNLFQRSKSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC000997623661 790468075 /nfs/dbraw/zinc/46/80/75/790468075.db2.gz HBOGFABJUOKKNM-LNLFQRSKSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045706 776774925 /nfs/dbraw/zinc/77/49/25/776774925.db2.gz OORZEDLGTPRLPU-SFHVURJKSA-N 2 1 327.472 2.008 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001089831992 777327779 /nfs/dbraw/zinc/32/77/79/777327779.db2.gz PWZFSDLNRPTNJF-VJANTYMQSA-N 2 1 343.515 2.360 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851584 778034275 /nfs/dbraw/zinc/03/42/75/778034275.db2.gz WWWSGCVLIQBYIJ-RDGPPVDQSA-N 2 1 331.504 2.073 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767227 778165116 /nfs/dbraw/zinc/16/51/16/778165116.db2.gz JDSGBKNJLWGUBK-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981767227 778165118 /nfs/dbraw/zinc/16/51/18/778165118.db2.gz JDSGBKNJLWGUBK-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767227 778165121 /nfs/dbraw/zinc/16/51/21/778165121.db2.gz JDSGBKNJLWGUBK-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982117040 779128350 /nfs/dbraw/zinc/12/83/50/779128350.db2.gz XWMDWNCMAXIPMN-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001088316458 783485860 /nfs/dbraw/zinc/48/58/60/783485860.db2.gz ADGWIBHUSQSYBW-YJBOKZPZSA-N 2 1 345.491 2.337 20 30 EEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001088316458 783485868 /nfs/dbraw/zinc/48/58/68/783485868.db2.gz ADGWIBHUSQSYBW-YJBOKZPZSA-N 2 1 345.491 2.337 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001088339306 783559457 /nfs/dbraw/zinc/55/94/57/783559457.db2.gz BXATWSKUGDMHDY-OAHLLOKOSA-N 2 1 334.464 2.287 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001035050720 783655679 /nfs/dbraw/zinc/65/56/79/783655679.db2.gz HKPRDNZMEGWSEK-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035165954 783899275 /nfs/dbraw/zinc/89/92/75/783899275.db2.gz BVHYWWFVDJNQOE-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001035165954 783899284 /nfs/dbraw/zinc/89/92/84/783899284.db2.gz BVHYWWFVDJNQOE-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001035165954 783899289 /nfs/dbraw/zinc/89/92/89/783899289.db2.gz BVHYWWFVDJNQOE-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035183974 784018809 /nfs/dbraw/zinc/01/88/09/784018809.db2.gz CEOQYOKKJJGWOK-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035183974 784018815 /nfs/dbraw/zinc/01/88/15/784018815.db2.gz CEOQYOKKJJGWOK-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035183974 784018821 /nfs/dbraw/zinc/01/88/21/784018821.db2.gz CEOQYOKKJJGWOK-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035245580 784180383 /nfs/dbraw/zinc/18/03/83/784180383.db2.gz ULLMYZCHCPVSBW-UHFFFAOYSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001035706309 784988636 /nfs/dbraw/zinc/98/86/36/784988636.db2.gz MNBDMNXUDFKJML-GOSISDBHSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](C/C=C\Cl)C3)CC2)CC1 ZINC001035857575 785298630 /nfs/dbraw/zinc/29/86/30/785298630.db2.gz WOVBOTANSOITLA-BAQGIRSFSA-N 2 1 349.906 2.009 20 30 EEEDMP N#CC1(Nc2nccc(C3C[NH2+]C3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC001171275432 791125287 /nfs/dbraw/zinc/12/52/87/791125287.db2.gz VFOSGEJIDSFUNA-UHFFFAOYSA-N 2 1 348.454 2.134 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646876 787997769 /nfs/dbraw/zinc/99/77/69/787997769.db2.gz ZSMXXTOEXMUTNB-SFHLNBCPSA-N 2 1 339.483 2.283 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646876 787997775 /nfs/dbraw/zinc/99/77/75/787997775.db2.gz ZSMXXTOEXMUTNB-SFHLNBCPSA-N 2 1 339.483 2.283 20 30 EEEDMP C=C(C)C[NH2+]C1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000996999352 788412048 /nfs/dbraw/zinc/41/20/48/788412048.db2.gz AOPHCVOBADDACZ-UHFFFAOYSA-N 2 1 332.448 2.041 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816132 788523775 /nfs/dbraw/zinc/52/37/75/788523775.db2.gz AWXJNUNLFXHOHM-IEBWSBKVSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107816132 788523783 /nfs/dbraw/zinc/52/37/83/788523783.db2.gz AWXJNUNLFXHOHM-IEBWSBKVSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001107816132 788523790 /nfs/dbraw/zinc/52/37/90/788523790.db2.gz AWXJNUNLFXHOHM-IEBWSBKVSA-N 2 1 339.524 2.258 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001005999500 789240891 /nfs/dbraw/zinc/24/08/91/789240891.db2.gz YBQCBAFKPTVPBP-UHFFFAOYSA-N 2 1 346.475 2.383 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146331319 791174944 /nfs/dbraw/zinc/17/49/44/791174944.db2.gz AIFPEUYHFFEBFN-HUUCEWRRSA-N 2 1 339.443 2.136 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCc3ccccc3)C2)C1 ZINC001148321517 792336228 /nfs/dbraw/zinc/33/62/28/792336228.db2.gz XNGSWAKNINSCGC-UHFFFAOYSA-N 2 1 341.499 2.271 20 30 EEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCc3ccccc3)C2)C1 ZINC001148321517 792336240 /nfs/dbraw/zinc/33/62/40/792336240.db2.gz XNGSWAKNINSCGC-UHFFFAOYSA-N 2 1 341.499 2.271 20 30 EEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCc3ccccc3)C2)C1 ZINC001148321517 792336254 /nfs/dbraw/zinc/33/62/54/792336254.db2.gz XNGSWAKNINSCGC-UHFFFAOYSA-N 2 1 341.499 2.271 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001107981785 792351579 /nfs/dbraw/zinc/35/15/79/792351579.db2.gz GHAKKDQDXFMWKI-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC000992149252 792927497 /nfs/dbraw/zinc/92/74/97/792927497.db2.gz NBLPUEUZZGHMNG-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992149252 792927501 /nfs/dbraw/zinc/92/75/01/792927501.db2.gz NBLPUEUZZGHMNG-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992149252 792927505 /nfs/dbraw/zinc/92/75/05/792927505.db2.gz NBLPUEUZZGHMNG-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992156449 792953931 /nfs/dbraw/zinc/95/39/31/792953931.db2.gz WGCWGPJPZUTVSB-NVXWUHKLSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992156449 792953939 /nfs/dbraw/zinc/95/39/39/792953939.db2.gz WGCWGPJPZUTVSB-NVXWUHKLSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927925 793050990 /nfs/dbraw/zinc/05/09/90/793050990.db2.gz QQSTVHSGNRBVRM-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992191821 793155126 /nfs/dbraw/zinc/15/51/26/793155126.db2.gz SBRFWHKSVSFNML-KFKAGJAMSA-N 2 1 337.483 2.498 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992191821 793155133 /nfs/dbraw/zinc/15/51/33/793155133.db2.gz SBRFWHKSVSFNML-KFKAGJAMSA-N 2 1 337.483 2.498 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992191821 793155139 /nfs/dbraw/zinc/15/51/39/793155139.db2.gz SBRFWHKSVSFNML-KFKAGJAMSA-N 2 1 337.483 2.498 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092190847 793653995 /nfs/dbraw/zinc/65/39/95/793653995.db2.gz YJXLQNMSGPAEIW-DYXWJJEUSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190847 793653998 /nfs/dbraw/zinc/65/39/98/793653998.db2.gz YJXLQNMSGPAEIW-DYXWJJEUSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190847 793654004 /nfs/dbraw/zinc/65/40/04/793654004.db2.gz YJXLQNMSGPAEIW-DYXWJJEUSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCC2)CC1 ZINC001089259918 793783849 /nfs/dbraw/zinc/78/38/49/793783849.db2.gz UJYKZAOHXGUFOP-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CCN1CC[C@]2(NC(=O)c3cc(-n4ccnc4)ccn3)CCC[C@@H]12 ZINC000992395137 793941112 /nfs/dbraw/zinc/94/11/12/793941112.db2.gz RUTBHYRYIYMNNF-UYAOXDASSA-N 2 1 349.438 2.017 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000999278306 794201475 /nfs/dbraw/zinc/20/14/75/794201475.db2.gz IMMYPXRGXRPKNM-QQFBHYJXSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721903 794256591 /nfs/dbraw/zinc/25/65/91/794256591.db2.gz TVZFUMMKACLGDW-GDBMZVCRSA-N 2 1 339.911 2.299 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001079320666 794577544 /nfs/dbraw/zinc/57/75/44/794577544.db2.gz CLALLERBMIVHHG-VDZJLULYSA-N 2 1 345.462 2.238 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089944113 795004408 /nfs/dbraw/zinc/00/44/08/795004408.db2.gz YLBUXMIEFAEAAC-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089944113 795004411 /nfs/dbraw/zinc/00/44/11/795004411.db2.gz YLBUXMIEFAEAAC-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944113 795004415 /nfs/dbraw/zinc/00/44/15/795004415.db2.gz YLBUXMIEFAEAAC-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944113 795004418 /nfs/dbraw/zinc/00/44/18/795004418.db2.gz YLBUXMIEFAEAAC-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871140 795596220 /nfs/dbraw/zinc/59/62/20/795596220.db2.gz HDGOFBMXNVNJAB-NVXWUHKLSA-N 2 1 328.460 2.260 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871140 795596226 /nfs/dbraw/zinc/59/62/26/795596226.db2.gz HDGOFBMXNVNJAB-NVXWUHKLSA-N 2 1 328.460 2.260 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001094461491 796273452 /nfs/dbraw/zinc/27/34/52/796273452.db2.gz ZPUXHVPOUGYZGV-UYAOXDASSA-N 2 1 336.439 2.332 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902986 796441345 /nfs/dbraw/zinc/44/13/45/796441345.db2.gz SXITUAZYRWGDMU-PKOBYXMFSA-N 2 1 327.472 2.471 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1ccccc1 ZINC001081178159 796678928 /nfs/dbraw/zinc/67/89/28/796678928.db2.gz IUCXNWLYKAFPIA-RBUKOAKNSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993820205 797049914 /nfs/dbraw/zinc/04/99/14/797049914.db2.gz JGXROQHTAGODEA-RDJZCZTQSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993820205 797049923 /nfs/dbraw/zinc/04/99/23/797049923.db2.gz JGXROQHTAGODEA-RDJZCZTQSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCOCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001099300022 797655724 /nfs/dbraw/zinc/65/57/24/797655724.db2.gz YTIIFVCSSWMEAH-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099300022 797655731 /nfs/dbraw/zinc/65/57/31/797655731.db2.gz YTIIFVCSSWMEAH-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099300022 797655732 /nfs/dbraw/zinc/65/57/32/797655732.db2.gz YTIIFVCSSWMEAH-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001082755851 797681222 /nfs/dbraw/zinc/68/12/22/797681222.db2.gz DVSKGQLUEIZLBJ-RSPOEFSDSA-N 2 1 341.499 2.344 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cc1cnc[nH]1 ZINC001175477147 798117923 /nfs/dbraw/zinc/11/79/23/798117923.db2.gz FPKFWVZTICLZDM-OAHLLOKOSA-N 2 1 339.443 2.289 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+]([C@@H](CC)c3ccccc3)C2)CC1 ZINC001031435060 798402527 /nfs/dbraw/zinc/40/25/27/798402527.db2.gz OVLJIENBEYBYDE-FQEVSTJZSA-N 2 1 339.483 2.283 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017663 798612595 /nfs/dbraw/zinc/61/25/95/798612595.db2.gz QRGFALCPOCDQSK-YVSFHVDLSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017663 798612598 /nfs/dbraw/zinc/61/25/98/798612598.db2.gz QRGFALCPOCDQSK-YVSFHVDLSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017663 798612601 /nfs/dbraw/zinc/61/26/01/798612601.db2.gz QRGFALCPOCDQSK-YVSFHVDLSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017663 798612603 /nfs/dbraw/zinc/61/26/03/798612603.db2.gz QRGFALCPOCDQSK-YVSFHVDLSA-N 2 1 339.911 2.392 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC[C@H](C)F)[C@H]3C2)CC1 ZINC001085100538 798674247 /nfs/dbraw/zinc/67/42/47/798674247.db2.gz KUACDCLVQUZJIA-SCTDSRPQSA-N 2 1 349.494 2.003 20 30 EEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178534991 799512063 /nfs/dbraw/zinc/51/20/63/799512063.db2.gz FERJAQQFUQOGAL-MSOLQXFVSA-N 2 1 337.508 2.082 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1 ZINC001085422457 800481418 /nfs/dbraw/zinc/48/14/18/800481418.db2.gz UMIKFMBZMXUUOU-GUDVDZBRSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC=C)C1 ZINC001181763176 800896177 /nfs/dbraw/zinc/89/61/77/800896177.db2.gz BEVHEYDOGACIFX-WSTZPKSXSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC=C)C1 ZINC001181763176 800896181 /nfs/dbraw/zinc/89/61/81/800896181.db2.gz BEVHEYDOGACIFX-WSTZPKSXSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183516908 801622898 /nfs/dbraw/zinc/62/28/98/801622898.db2.gz FAZPQRWBQWUPHC-YFVAEKQCSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCC2)CC1 ZINC001085986411 801838954 /nfs/dbraw/zinc/83/89/54/801838954.db2.gz DCFUIYLSNORGHQ-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC001085986675 801839842 /nfs/dbraw/zinc/83/98/42/801839842.db2.gz KNDCEYZFBKJAHT-FQEVSTJZSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621268 802263048 /nfs/dbraw/zinc/26/30/48/802263048.db2.gz ROUSBFQYZWJZCT-HSALFYBXSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621268 802263053 /nfs/dbraw/zinc/26/30/53/802263053.db2.gz ROUSBFQYZWJZCT-HSALFYBXSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621268 802263058 /nfs/dbraw/zinc/26/30/58/802263058.db2.gz ROUSBFQYZWJZCT-HSALFYBXSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185234987 802436159 /nfs/dbraw/zinc/43/61/59/802436159.db2.gz KRXICHIZTXAYFB-SJORKVTESA-N 2 1 330.476 2.104 20 30 EEEDMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082500 802954885 /nfs/dbraw/zinc/95/48/85/802954885.db2.gz COMJAPMCJMVINJ-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082500 802954888 /nfs/dbraw/zinc/95/48/88/802954888.db2.gz COMJAPMCJMVINJ-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082500 802954892 /nfs/dbraw/zinc/95/48/92/802954892.db2.gz COMJAPMCJMVINJ-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001108716208 804385098 /nfs/dbraw/zinc/38/50/98/804385098.db2.gz KVGXCTBVOCPBDS-XHSDSOJGSA-N 2 1 346.475 2.285 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086579254 808142632 /nfs/dbraw/zinc/14/26/32/808142632.db2.gz SZVYOXWEWYQWHL-IPMKNSEASA-N 2 1 327.472 2.241 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001086579254 808142636 /nfs/dbraw/zinc/14/26/36/808142636.db2.gz SZVYOXWEWYQWHL-IPMKNSEASA-N 2 1 327.472 2.241 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001086579254 808142638 /nfs/dbraw/zinc/14/26/38/808142638.db2.gz SZVYOXWEWYQWHL-IPMKNSEASA-N 2 1 327.472 2.241 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)s1 ZINC001129430741 810850736 /nfs/dbraw/zinc/85/07/36/810850736.db2.gz WWZKLWRANREHDW-KRWDZBQOSA-N 2 1 346.500 2.233 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001130401752 811580211 /nfs/dbraw/zinc/58/02/11/811580211.db2.gz MGZWWNKISOKWAT-OAHLLOKOSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001130401752 811580218 /nfs/dbraw/zinc/58/02/18/811580218.db2.gz MGZWWNKISOKWAT-OAHLLOKOSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001130401752 811580222 /nfs/dbraw/zinc/58/02/22/811580222.db2.gz MGZWWNKISOKWAT-OAHLLOKOSA-N 2 1 347.507 2.122 20 30 EEEDMP C[NH+](C)CCCC(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001437938240 1090531229 /nfs/dbraw/zinc/53/12/29/1090531229.db2.gz CWAKDFRRSQRLBH-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001440653201 1093924639 /nfs/dbraw/zinc/92/46/39/1093924639.db2.gz YRQKAVCJTBIIDQ-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001440653201 1093924644 /nfs/dbraw/zinc/92/46/44/1093924644.db2.gz YRQKAVCJTBIIDQ-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001440653201 1093924647 /nfs/dbraw/zinc/92/46/47/1093924647.db2.gz YRQKAVCJTBIIDQ-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942260608 782084356 /nfs/dbraw/zinc/08/43/56/782084356.db2.gz ZARAYTYBOXIFOS-UKRRQHHQSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942260608 782084350 /nfs/dbraw/zinc/08/43/50/782084350.db2.gz ZARAYTYBOXIFOS-UKRRQHHQSA-N 2 1 325.884 2.194 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)C(C)C ZINC000355469319 465250880 /nfs/dbraw/zinc/25/08/80/465250880.db2.gz FIGHVESLYOIYHS-ZWKOTPCHSA-N 2 1 336.524 2.421 20 30 EEEDMP Cc1cc(C2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)[nH]n1 ZINC000329327507 465300608 /nfs/dbraw/zinc/30/06/08/465300608.db2.gz XFFRDXRPQDPHRK-UHFFFAOYSA-N 2 1 345.491 2.481 20 30 EEEDMP Cc1cc(C2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)n[nH]1 ZINC000329327507 465300616 /nfs/dbraw/zinc/30/06/16/465300616.db2.gz XFFRDXRPQDPHRK-UHFFFAOYSA-N 2 1 345.491 2.481 20 30 EEEDMP C#CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCc2ccccc21 ZINC000089103589 462650919 /nfs/dbraw/zinc/65/09/19/462650919.db2.gz GMQJQVCWHLVQLE-FQEVSTJZSA-N 2 1 339.483 2.210 20 30 EEEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCc2ccccc21 ZINC000089103589 462650925 /nfs/dbraw/zinc/65/09/25/462650925.db2.gz GMQJQVCWHLVQLE-FQEVSTJZSA-N 2 1 339.483 2.210 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000491699790 468362735 /nfs/dbraw/zinc/36/27/35/468362735.db2.gz CQFRKAWKCYEAKE-LSDHHAIUSA-N 2 1 330.419 2.288 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000491699790 468362739 /nfs/dbraw/zinc/36/27/39/468362739.db2.gz CQFRKAWKCYEAKE-LSDHHAIUSA-N 2 1 330.419 2.288 20 30 EEEDMP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000264107409 464284301 /nfs/dbraw/zinc/28/43/01/464284301.db2.gz OCBUAVIXBYTZET-LJQANCHMSA-N 3 1 345.535 2.417 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000295116122 464710740 /nfs/dbraw/zinc/71/07/40/464710740.db2.gz XXLQQCOLYTWFQG-LJQANCHMSA-N 2 1 325.460 2.263 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000295116122 464710744 /nfs/dbraw/zinc/71/07/44/464710744.db2.gz XXLQQCOLYTWFQG-LJQANCHMSA-N 2 1 325.460 2.263 20 30 EEEDMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329961115 465488396 /nfs/dbraw/zinc/48/83/96/465488396.db2.gz RKQPFTZNOQPOBV-HZPDHXFCSA-N 2 1 333.480 2.214 20 30 EEEDMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329961115 465488399 /nfs/dbraw/zinc/48/83/99/465488399.db2.gz RKQPFTZNOQPOBV-HZPDHXFCSA-N 2 1 333.480 2.214 20 30 EEEDMP CNc1cc(N2CCC[C@@H]2CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)ncn1 ZINC000329911131 465470765 /nfs/dbraw/zinc/47/07/65/465470765.db2.gz WGAJSLHRDQCNFF-QLFBSQMISA-N 2 1 346.479 2.316 20 30 EEEDMP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000330223886 465574742 /nfs/dbraw/zinc/57/47/42/465574742.db2.gz ANCPYPMJIUHJDE-OAHLLOKOSA-N 2 1 347.507 2.437 20 30 EEEDMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000330223886 465574747 /nfs/dbraw/zinc/57/47/47/465574747.db2.gz ANCPYPMJIUHJDE-OAHLLOKOSA-N 2 1 347.507 2.437 20 30 EEEDMP COc1cc(C#N)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000367263159 466225873 /nfs/dbraw/zinc/22/58/73/466225873.db2.gz TXNBGDJFCVTUOH-IBGZPJMESA-N 2 1 342.487 2.167 20 30 EEEDMP C=C(C)CNC(=[NH2+])NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000304759391 466315301 /nfs/dbraw/zinc/31/53/01/466315301.db2.gz RCSFPFBDQBUOAS-UHFFFAOYSA-N 2 1 335.521 2.398 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368141275 466583404 /nfs/dbraw/zinc/58/34/04/466583404.db2.gz DDPNYEOFTIJOST-SFHVURJKSA-N 2 1 325.472 2.356 20 30 EEEDMP C#CCOc1ccccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377630365 467100821 /nfs/dbraw/zinc/10/08/21/467100821.db2.gz RFICATRWFACKSE-FQEVSTJZSA-N 2 1 341.499 2.299 20 30 EEEDMP C#CCOc1ccccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377630365 467100823 /nfs/dbraw/zinc/10/08/23/467100823.db2.gz RFICATRWFACKSE-FQEVSTJZSA-N 2 1 341.499 2.299 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(OCC)cc2)CC1 ZINC000566107173 468144868 /nfs/dbraw/zinc/14/48/68/468144868.db2.gz GGYYODGAWVEDDK-GOSISDBHSA-N 2 1 348.487 2.455 20 30 EEEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592066069 468610146 /nfs/dbraw/zinc/61/01/46/468610146.db2.gz GUUMLWJOBNMQDM-ZWKOTPCHSA-N 2 1 328.460 2.036 20 30 EEEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000598721121 468973537 /nfs/dbraw/zinc/97/35/37/468973537.db2.gz SLHPQFCULYMEST-RTBURBONSA-N 2 1 329.488 2.441 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c2)CCO1 ZINC000598720372 468973887 /nfs/dbraw/zinc/97/38/87/468973887.db2.gz MTQLLCCRCBAKTK-VQIMIIECSA-N 2 1 345.487 2.298 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c2)CCO1 ZINC000598720372 468973890 /nfs/dbraw/zinc/97/38/90/468973890.db2.gz MTQLLCCRCBAKTK-VQIMIIECSA-N 2 1 345.487 2.298 20 30 EEEDMP CC[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660264 469329125 /nfs/dbraw/zinc/32/91/25/469329125.db2.gz LHZVJAKSMUMQGA-UHFFFAOYSA-N 2 1 330.476 2.332 20 30 EEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000191479952 528863042 /nfs/dbraw/zinc/86/30/42/528863042.db2.gz QVLABWMFPDJYFF-SFHVURJKSA-N 2 1 333.480 2.212 20 30 EEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000191479952 528863049 /nfs/dbraw/zinc/86/30/49/528863049.db2.gz QVLABWMFPDJYFF-SFHVURJKSA-N 2 1 333.480 2.212 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@@H+]1CC ZINC000764623162 577740229 /nfs/dbraw/zinc/74/02/29/577740229.db2.gz HOAVYZYBBUKJSB-GOSISDBHSA-N 2 1 345.487 2.323 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC000749546303 577977912 /nfs/dbraw/zinc/97/79/12/577977912.db2.gz OQDJDNVKNFOFLE-BHIYHBOVSA-N 2 1 329.444 2.272 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(OCC#N)cc1 ZINC000749546303 577977913 /nfs/dbraw/zinc/97/79/13/577977913.db2.gz OQDJDNVKNFOFLE-BHIYHBOVSA-N 2 1 329.444 2.272 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214809 676157808 /nfs/dbraw/zinc/15/78/08/676157808.db2.gz QHFHIIAIVPORCU-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214809 676157809 /nfs/dbraw/zinc/15/78/09/676157809.db2.gz QHFHIIAIVPORCU-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039214809 676157811 /nfs/dbraw/zinc/15/78/11/676157811.db2.gz QHFHIIAIVPORCU-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000949385800 676190225 /nfs/dbraw/zinc/19/02/25/676190225.db2.gz BKNZBIONXBCKQS-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000949385800 676190227 /nfs/dbraw/zinc/19/02/27/676190227.db2.gz BKNZBIONXBCKQS-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000949385800 676190229 /nfs/dbraw/zinc/19/02/29/676190229.db2.gz BKNZBIONXBCKQS-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000949385800 676190232 /nfs/dbraw/zinc/19/02/32/676190232.db2.gz BKNZBIONXBCKQS-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039138978 675643135 /nfs/dbraw/zinc/64/31/35/675643135.db2.gz ZNKGTVYZMDSJLH-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022070172 676632649 /nfs/dbraw/zinc/63/26/49/676632649.db2.gz RHNUQYYNXFBRMF-HZSPNIEDSA-N 2 1 344.297 2.005 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001022070533 676634695 /nfs/dbraw/zinc/63/46/95/676634695.db2.gz WEFFKPWKXFHYDS-CEXWTWQISA-N 2 1 340.471 2.168 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971801615 676814441 /nfs/dbraw/zinc/81/44/41/676814441.db2.gz SPTWNZBJGUUYND-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971801615 676814443 /nfs/dbraw/zinc/81/44/43/676814443.db2.gz SPTWNZBJGUUYND-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971801615 676814444 /nfs/dbraw/zinc/81/44/44/676814444.db2.gz SPTWNZBJGUUYND-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971801615 676814445 /nfs/dbraw/zinc/81/44/45/676814445.db2.gz SPTWNZBJGUUYND-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646043 679447432 /nfs/dbraw/zinc/44/74/32/679447432.db2.gz HGHLRMILNXFWKT-SFHVURJKSA-N 2 1 327.472 2.213 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1C#N ZINC001024366917 679883788 /nfs/dbraw/zinc/88/37/88/679883788.db2.gz WFHMBYHSQQNZAM-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CN1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1C#N ZINC001024366917 679883789 /nfs/dbraw/zinc/88/37/89/679883789.db2.gz WFHMBYHSQQNZAM-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982808897 681300815 /nfs/dbraw/zinc/30/08/15/681300815.db2.gz UNAHRRCFGMNTPQ-CALCHBBNSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982808897 681300822 /nfs/dbraw/zinc/30/08/22/681300822.db2.gz UNAHRRCFGMNTPQ-CALCHBBNSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982519328 681466056 /nfs/dbraw/zinc/46/60/56/681466056.db2.gz BWRATIXXERQOOO-NXHRZFHOSA-N 2 1 341.927 2.496 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982519328 681466059 /nfs/dbraw/zinc/46/60/59/681466059.db2.gz BWRATIXXERQOOO-NXHRZFHOSA-N 2 1 341.927 2.496 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982726236 682111973 /nfs/dbraw/zinc/11/19/73/682111973.db2.gz SVWMZHPRXUFFRJ-JYRKZWEQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029011612 682670428 /nfs/dbraw/zinc/67/04/28/682670428.db2.gz AVZABJNYYCPSBD-INIZCTEOSA-N 2 1 331.460 2.196 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001026559899 684744461 /nfs/dbraw/zinc/74/44/61/684744461.db2.gz VKJVWAWUABJQDF-GTPINHCMSA-N 2 1 330.476 2.347 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511702 684805301 /nfs/dbraw/zinc/80/53/01/684805301.db2.gz YCGRWBWOTXBHOL-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C#Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000896043200 684816227 /nfs/dbraw/zinc/81/62/27/684816227.db2.gz OBJVNSLYEHDQGL-LJQANCHMSA-N 2 1 327.472 2.156 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040358083 694028556 /nfs/dbraw/zinc/02/85/56/694028556.db2.gz VHPZJQQHWSESAD-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040358083 694028560 /nfs/dbraw/zinc/02/85/60/694028560.db2.gz VHPZJQQHWSESAD-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040358083 694028566 /nfs/dbraw/zinc/02/85/66/694028566.db2.gz VHPZJQQHWSESAD-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC000978949560 694049580 /nfs/dbraw/zinc/04/95/80/694049580.db2.gz BLPWDPYYKAYZNB-OWZKRDHZSA-N 2 1 345.531 2.369 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991016231 694192461 /nfs/dbraw/zinc/19/24/61/694192461.db2.gz FPNSURIIAWVYGE-WSTZPKSXSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991016231 694192463 /nfs/dbraw/zinc/19/24/63/694192463.db2.gz FPNSURIIAWVYGE-WSTZPKSXSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991016231 694192468 /nfs/dbraw/zinc/19/24/68/694192468.db2.gz FPNSURIIAWVYGE-WSTZPKSXSA-N 2 1 331.504 2.101 20 30 EEEDMP CC[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCc2ccccc21 ZINC000262782819 688455262 /nfs/dbraw/zinc/45/52/62/688455262.db2.gz LNBZBAOYVLLKIG-SFHVURJKSA-N 2 1 332.517 2.452 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001030019187 691099428 /nfs/dbraw/zinc/09/94/28/691099428.db2.gz GROCMBBYCHKNCS-IHPCNDPISA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001030019187 691099432 /nfs/dbraw/zinc/09/94/32/691099432.db2.gz GROCMBBYCHKNCS-IHPCNDPISA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241284 692069527 /nfs/dbraw/zinc/06/95/27/692069527.db2.gz MWFCFJBALDUZTG-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241284 692069532 /nfs/dbraw/zinc/06/95/32/692069532.db2.gz MWFCFJBALDUZTG-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241284 692069535 /nfs/dbraw/zinc/06/95/35/692069535.db2.gz MWFCFJBALDUZTG-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541926 692788292 /nfs/dbraw/zinc/78/82/92/692788292.db2.gz DGDINJRXENBCRR-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027541926 692788296 /nfs/dbraw/zinc/78/82/96/692788296.db2.gz DGDINJRXENBCRR-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027541926 692788298 /nfs/dbraw/zinc/78/82/98/692788298.db2.gz DGDINJRXENBCRR-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000977655199 692884768 /nfs/dbraw/zinc/88/47/68/692884768.db2.gz NNDJROQPAHMEBZ-SFHVURJKSA-N 2 1 331.504 2.124 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001485672600 1191891096 /nfs/dbraw/zinc/89/10/96/1191891096.db2.gz JENHGONKVWJISY-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089383 1193362282 /nfs/dbraw/zinc/36/22/82/1193362282.db2.gz GYOSSMLIILIIGR-VQIMIIECSA-N 2 1 327.472 2.212 20 30 EEEDMP CC[C@@H](C(=O)N(C)CC[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001482643237 1187473570 /nfs/dbraw/zinc/47/35/70/1187473570.db2.gz JZGULJABLGFNEQ-SFHVURJKSA-N 2 1 349.906 2.422 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105561705 1188178209 /nfs/dbraw/zinc/17/82/09/1188178209.db2.gz PRIYBRVJMUAHOP-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1C#N ZINC001272991859 1194300514 /nfs/dbraw/zinc/30/05/14/1194300514.db2.gz YLATYAQZUJQKOS-FQEVSTJZSA-N 2 1 340.471 2.077 20 30 EEEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1C#N ZINC001272991859 1194300518 /nfs/dbraw/zinc/30/05/18/1194300518.db2.gz YLATYAQZUJQKOS-FQEVSTJZSA-N 2 1 340.471 2.077 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001034394424 1196184250 /nfs/dbraw/zinc/18/42/50/1196184250.db2.gz NPDREIWMIGHOMR-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394424 1196184252 /nfs/dbraw/zinc/18/42/52/1196184252.db2.gz NPDREIWMIGHOMR-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394424 1196184253 /nfs/dbraw/zinc/18/42/53/1196184253.db2.gz NPDREIWMIGHOMR-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001034715184 1196604357 /nfs/dbraw/zinc/60/43/57/1196604357.db2.gz JQFGYCRGLVEDCX-LNLFQRSKSA-N 2 1 331.504 2.434 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@H+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273143774 1197008652 /nfs/dbraw/zinc/00/86/52/1197008652.db2.gz KYSWIRYBRUMEMR-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310909 1199562051 /nfs/dbraw/zinc/56/20/51/1199562051.db2.gz PYSCJVPASZINMF-ICSRJNTNSA-N 2 1 341.499 2.153 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310909 1199562053 /nfs/dbraw/zinc/56/20/53/1199562053.db2.gz PYSCJVPASZINMF-ICSRJNTNSA-N 2 1 341.499 2.153 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310909 1199562055 /nfs/dbraw/zinc/56/20/55/1199562055.db2.gz PYSCJVPASZINMF-ICSRJNTNSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133146443 1200519864 /nfs/dbraw/zinc/51/98/64/1200519864.db2.gz JTYDAWSXVKENAH-ZWKOTPCHSA-N 2 1 344.503 2.494 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133165551 1200539564 /nfs/dbraw/zinc/53/95/64/1200539564.db2.gz JCEYCBDGFCLQNV-AEFFLSMTSA-N 2 1 330.476 2.069 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133403839 1200865613 /nfs/dbraw/zinc/86/56/13/1200865613.db2.gz MKIHPNJAXRYJEK-INIZCTEOSA-N 2 1 347.890 2.376 20 30 EEEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](C[C@@H]2CCC=CO2)CC3)cc1C#N ZINC001274896690 1205203403 /nfs/dbraw/zinc/20/34/03/1205203403.db2.gz BWINLDSDSPPJSB-IBGZPJMESA-N 2 1 340.471 2.487 20 30 EEEDMP CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cccc(C#N)n3)CC2)C1 ZINC001275605461 1205440746 /nfs/dbraw/zinc/44/07/46/1205440746.db2.gz LBZZCLDXNBSXNW-UHFFFAOYSA-N 2 1 341.503 2.193 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435453 1209136830 /nfs/dbraw/zinc/13/68/30/1209136830.db2.gz LTMQFSYCBWGKNI-OALUTQOASA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435453 1209136834 /nfs/dbraw/zinc/13/68/34/1209136834.db2.gz LTMQFSYCBWGKNI-OALUTQOASA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435453 1209136836 /nfs/dbraw/zinc/13/68/36/1209136836.db2.gz LTMQFSYCBWGKNI-OALUTQOASA-N 2 1 333.520 2.301 20 30 EEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277137 1209233732 /nfs/dbraw/zinc/23/37/32/1209233732.db2.gz CGSOHTCILVSVAF-KURKYZTESA-N 2 1 337.508 2.033 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2c1cccc2C ZINC000304744873 1216102679 /nfs/dbraw/zinc/10/26/79/1216102679.db2.gz DXCUQJCATFOMLI-INIZCTEOSA-N 2 1 327.476 2.407 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000959928366 1216237432 /nfs/dbraw/zinc/23/74/32/1216237432.db2.gz YNQIGGAZMCRPLS-WMLDXEAASA-N 2 1 346.500 2.185 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3cncn3C)C2)C1 ZINC000961262854 1217117031 /nfs/dbraw/zinc/11/70/31/1217117031.db2.gz QNXBATGIYYKYEF-IRXDYDNUSA-N 2 1 330.476 2.099 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961266364 1217118202 /nfs/dbraw/zinc/11/82/02/1217118202.db2.gz XFBIBWNGUODSJE-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000961384180 1217168350 /nfs/dbraw/zinc/16/83/50/1217168350.db2.gz NVLPGACETRJRBY-LJQANCHMSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961410405 1217179246 /nfs/dbraw/zinc/17/92/46/1217179246.db2.gz HNKARFUJIZGFIM-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961410405 1217179248 /nfs/dbraw/zinc/17/92/48/1217179248.db2.gz HNKARFUJIZGFIM-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961410405 1217179251 /nfs/dbraw/zinc/17/92/51/1217179251.db2.gz HNKARFUJIZGFIM-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961434510 1217189096 /nfs/dbraw/zinc/18/90/96/1217189096.db2.gz GHJFMJVZLDTMKU-FQEVSTJZSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961443892 1217192325 /nfs/dbraw/zinc/19/23/25/1217192325.db2.gz XZYSVJIEIUYCNV-IBGZPJMESA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961443892 1217192327 /nfs/dbraw/zinc/19/23/27/1217192327.db2.gz XZYSVJIEIUYCNV-IBGZPJMESA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C)cc2)C1 ZINC000961938998 1217412490 /nfs/dbraw/zinc/41/24/90/1217412490.db2.gz WTTMKGFTENGYLR-MHJFOBGBSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C)cc2)C1 ZINC000961938998 1217412493 /nfs/dbraw/zinc/41/24/93/1217412493.db2.gz WTTMKGFTENGYLR-MHJFOBGBSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383287 1217579988 /nfs/dbraw/zinc/57/99/88/1217579988.db2.gz MXDXPQIZFXASAQ-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000965842551 1219280846 /nfs/dbraw/zinc/28/08/46/1219280846.db2.gz SUHCMVUQUJPZOB-DPGVGJJJSA-N 2 1 325.884 2.098 20 30 EEEDMP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1CC ZINC001037872899 1219733277 /nfs/dbraw/zinc/73/32/77/1219733277.db2.gz NLCRRRPXWDDPTG-WMZOPIPTSA-N 2 1 333.520 2.489 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000968645039 1221460340 /nfs/dbraw/zinc/46/03/40/1221460340.db2.gz KTWYYWGPEBTDBB-RTBURBONSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000968645081 1221460344 /nfs/dbraw/zinc/46/03/44/1221460344.db2.gz MDQOPUBBUVDZRX-RTBURBONSA-N 2 1 340.471 2.122 20 30 EEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001016820798 1226904449 /nfs/dbraw/zinc/90/44/49/1226904449.db2.gz ULVAOQMLICSFHV-KRWDZBQOSA-N 2 1 344.459 2.041 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001018984971 1228607328 /nfs/dbraw/zinc/60/73/28/1228607328.db2.gz HIFIIBPXSDPYLO-UFYCRDLUSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001018984971 1228607332 /nfs/dbraw/zinc/60/73/32/1228607332.db2.gz HIFIIBPXSDPYLO-UFYCRDLUSA-N 2 1 339.483 2.426 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416693 1229084243 /nfs/dbraw/zinc/08/42/43/1229084243.db2.gz TYNDITAYVQWZAQ-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001038705783 1229987024 /nfs/dbraw/zinc/98/70/24/1229987024.db2.gz RSBQJXVSTCIYDS-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001038705783 1229987026 /nfs/dbraw/zinc/98/70/26/1229987026.db2.gz RSBQJXVSTCIYDS-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001038717569 1229994736 /nfs/dbraw/zinc/99/47/36/1229994736.db2.gz OMMLMLZLTGLPRU-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038717569 1229994739 /nfs/dbraw/zinc/99/47/39/1229994739.db2.gz OMMLMLZLTGLPRU-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038717569 1229994740 /nfs/dbraw/zinc/99/47/40/1229994740.db2.gz OMMLMLZLTGLPRU-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001038717571 1229995031 /nfs/dbraw/zinc/99/50/31/1229995031.db2.gz OMMLMLZLTGLPRU-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038717571 1229995034 /nfs/dbraw/zinc/99/50/34/1229995034.db2.gz OMMLMLZLTGLPRU-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038717571 1229995037 /nfs/dbraw/zinc/99/50/37/1229995037.db2.gz OMMLMLZLTGLPRU-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039132881 1230343424 /nfs/dbraw/zinc/34/34/24/1230343424.db2.gz QHHLWDKTRPOWEN-BHIYHBOVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039132881 1230343428 /nfs/dbraw/zinc/34/34/28/1230343428.db2.gz QHHLWDKTRPOWEN-BHIYHBOVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039132881 1230343432 /nfs/dbraw/zinc/34/34/32/1230343432.db2.gz QHHLWDKTRPOWEN-BHIYHBOVSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC001039135301 1230347395 /nfs/dbraw/zinc/34/73/95/1230347395.db2.gz ZYVPVOQJMQKJDA-UXHICEINSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC001039135301 1230347398 /nfs/dbraw/zinc/34/73/98/1230347398.db2.gz ZYVPVOQJMQKJDA-UXHICEINSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001039135301 1230347400 /nfs/dbraw/zinc/34/74/00/1230347400.db2.gz ZYVPVOQJMQKJDA-UXHICEINSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001039135301 1230347403 /nfs/dbraw/zinc/34/74/03/1230347403.db2.gz ZYVPVOQJMQKJDA-UXHICEINSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039163768 1230384579 /nfs/dbraw/zinc/38/45/79/1230384579.db2.gz AOGWUZDSWZQAEZ-LJQANCHMSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CCCC)C3)C2)CC1 ZINC001041844545 1231728020 /nfs/dbraw/zinc/72/80/20/1231728020.db2.gz KLGKXMIKQHUEIK-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845954 1231728710 /nfs/dbraw/zinc/72/87/10/1231728710.db2.gz TXDDSUBHNXXJSA-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042366356 1232048892 /nfs/dbraw/zinc/04/88/92/1232048892.db2.gz VFZZJKLBYDENSE-HKUYNNGSSA-N 2 1 327.472 2.471 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC001044332791 1232877143 /nfs/dbraw/zinc/87/71/43/1232877143.db2.gz JOKFSVASDNDLDM-QGZVFWFLSA-N 2 1 339.483 2.235 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045941298 1234199084 /nfs/dbraw/zinc/19/90/84/1234199084.db2.gz IPSLVIXIPAJONW-PZJWPPBQSA-N 2 1 343.515 2.056 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045942581 1234201132 /nfs/dbraw/zinc/20/11/32/1234201132.db2.gz VGDUAVSIEQUCTL-ICSRJNTNSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045942981 1234201891 /nfs/dbraw/zinc/20/18/91/1234201891.db2.gz DQTOTRMHDGCWAE-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045942981 1234201894 /nfs/dbraw/zinc/20/18/94/1234201894.db2.gz DQTOTRMHDGCWAE-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045942981 1234201897 /nfs/dbraw/zinc/20/18/97/1234201897.db2.gz DQTOTRMHDGCWAE-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047256483 1235759738 /nfs/dbraw/zinc/75/97/38/1235759738.db2.gz KWISASCQRAJFIR-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047261339 1235768546 /nfs/dbraw/zinc/76/85/46/1235768546.db2.gz FCMZTJSECRNNEK-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000202016 1240057144 /nfs/dbraw/zinc/05/71/44/1240057144.db2.gz SIFXWQDWDUENES-GJZGRUSLSA-N 2 1 336.867 2.087 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049529493 1241263845 /nfs/dbraw/zinc/26/38/45/1241263845.db2.gz OAXPIIWERSIACX-AABGKKOBSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049529493 1241263856 /nfs/dbraw/zinc/26/38/56/1241263856.db2.gz OAXPIIWERSIACX-AABGKKOBSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001049529493 1241263867 /nfs/dbraw/zinc/26/38/67/1241263867.db2.gz OAXPIIWERSIACX-AABGKKOBSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC001049529493 1241263870 /nfs/dbraw/zinc/26/38/70/1241263870.db2.gz OAXPIIWERSIACX-AABGKKOBSA-N 2 1 343.515 2.340 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717543 1241977373 /nfs/dbraw/zinc/97/73/73/1241977373.db2.gz FPWXLCJLNOYHOU-QXAKKESOSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717543 1241977386 /nfs/dbraw/zinc/97/73/86/1241977386.db2.gz FPWXLCJLNOYHOU-QXAKKESOSA-N 2 1 342.487 2.395 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001001404077 1242206552 /nfs/dbraw/zinc/20/65/52/1242206552.db2.gz FBNRHLNTBSOOTA-LJQANCHMSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049845357 1242399287 /nfs/dbraw/zinc/39/92/87/1242399287.db2.gz XXGQICYYJVKYPI-UXHICEINSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157753 1243003174 /nfs/dbraw/zinc/00/31/74/1243003174.db2.gz KHWGAKQOPUJSOV-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)CC1 ZINC001050690409 1244136317 /nfs/dbraw/zinc/13/63/17/1244136317.db2.gz PAFYPQMOFGIQBP-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc2c1CC[N@@H+](CCC)C2 ZINC001051289819 1245484614 /nfs/dbraw/zinc/48/46/14/1245484614.db2.gz AJZHCTHOEAWRIB-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc2c1CC[N@H+](CCC)C2 ZINC001051289819 1245484616 /nfs/dbraw/zinc/48/46/16/1245484616.db2.gz AJZHCTHOEAWRIB-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc2c1CC[NH+](CCC)C2 ZINC001051289819 1245484620 /nfs/dbraw/zinc/48/46/20/1245484620.db2.gz AJZHCTHOEAWRIB-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc2c1CC[NH+](CCC)C2 ZINC001051289819 1245484623 /nfs/dbraw/zinc/48/46/23/1245484623.db2.gz AJZHCTHOEAWRIB-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053040416 1245745979 /nfs/dbraw/zinc/74/59/79/1245745979.db2.gz JOYWGAUNZBJZIO-WOJBJXKFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053054127 1245782867 /nfs/dbraw/zinc/78/28/67/1245782867.db2.gz IEUPYOBEUBGTIP-VQTJNVASSA-N 2 1 345.531 2.446 20 30 EEEDMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001054035294 1247187115 /nfs/dbraw/zinc/18/71/15/1247187115.db2.gz JCCNRGZQKNFZCB-RTBURBONSA-N 2 1 327.472 2.200 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054035294 1247187121 /nfs/dbraw/zinc/18/71/21/1247187121.db2.gz JCCNRGZQKNFZCB-RTBURBONSA-N 2 1 327.472 2.200 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054035294 1247187124 /nfs/dbraw/zinc/18/71/24/1247187124.db2.gz JCCNRGZQKNFZCB-RTBURBONSA-N 2 1 327.472 2.200 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052551956 1247541792 /nfs/dbraw/zinc/54/17/92/1247541792.db2.gz POWXMGCLFRCKGY-HNNXBMFYSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054198521 1247689919 /nfs/dbraw/zinc/68/99/19/1247689919.db2.gz YVMMWUUPATXLTK-YJBOKZPZSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198521 1247689926 /nfs/dbraw/zinc/68/99/26/1247689926.db2.gz YVMMWUUPATXLTK-YJBOKZPZSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198521 1247689934 /nfs/dbraw/zinc/68/99/34/1247689934.db2.gz YVMMWUUPATXLTK-YJBOKZPZSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214087 1247736688 /nfs/dbraw/zinc/73/66/88/1247736688.db2.gz QURSYUXBEWBQOT-NRFANRHFSA-N 2 1 339.483 2.310 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001054233971 1247806286 /nfs/dbraw/zinc/80/62/86/1247806286.db2.gz ULXDZLRUJVPQAX-PMACEKPBSA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001054233971 1247806297 /nfs/dbraw/zinc/80/62/97/1247806297.db2.gz ULXDZLRUJVPQAX-PMACEKPBSA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001054233971 1247806315 /nfs/dbraw/zinc/80/63/15/1247806315.db2.gz ULXDZLRUJVPQAX-PMACEKPBSA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001071243778 1254088063 /nfs/dbraw/zinc/08/80/63/1254088063.db2.gz LGJHASJJIUDLEW-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071828834 1254692273 /nfs/dbraw/zinc/69/22/73/1254692273.db2.gz VLTTUZNGEBIISF-VQIMIIECSA-N 2 1 327.472 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=C)Cl)C3)CC1 ZINC001099174098 1257994220 /nfs/dbraw/zinc/99/42/20/1257994220.db2.gz CUWZDJCIXBPUGB-HKUYNNGSSA-N 2 1 349.906 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=C)Cl)C3)CC1 ZINC001099174098 1257994225 /nfs/dbraw/zinc/99/42/25/1257994225.db2.gz CUWZDJCIXBPUGB-HKUYNNGSSA-N 2 1 349.906 2.055 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099522961 1258190057 /nfs/dbraw/zinc/19/00/57/1258190057.db2.gz XSNIHNWXXCWDFZ-OKYOBFRVSA-N 2 1 345.531 2.463 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001100900219 1259412878 /nfs/dbraw/zinc/41/28/78/1259412878.db2.gz WQTMHHANGGVBDM-UHFFFAOYSA-N 2 1 345.462 2.003 20 30 EEEDMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001185723579 1278765366 /nfs/dbraw/zinc/76/53/66/1278765366.db2.gz OJLFJJPVDVFFCU-GOSISDBHSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001201037550 1287266632 /nfs/dbraw/zinc/26/66/32/1287266632.db2.gz LQUKNJGVGXWKPM-IBGZPJMESA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644720 1280991954 /nfs/dbraw/zinc/99/19/54/1280991954.db2.gz KQYNBKMDVDPKGY-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001190644720 1280991958 /nfs/dbraw/zinc/99/19/58/1280991958.db2.gz KQYNBKMDVDPKGY-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001190644720 1280991962 /nfs/dbraw/zinc/99/19/62/1280991962.db2.gz KQYNBKMDVDPKGY-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193400620 1282484558 /nfs/dbraw/zinc/48/45/58/1282484558.db2.gz ZQOYLFTYQBYZNQ-ICSRJNTNSA-N 2 1 327.472 2.019 20 30 EEEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424491 1282501933 /nfs/dbraw/zinc/50/19/33/1282501933.db2.gz MPHWHDKCUWGFRV-RTBURBONSA-N 2 1 327.472 2.235 20 30 EEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424491 1282501944 /nfs/dbraw/zinc/50/19/44/1282501944.db2.gz MPHWHDKCUWGFRV-RTBURBONSA-N 2 1 327.472 2.235 20 30 EEEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424491 1282501954 /nfs/dbraw/zinc/50/19/54/1282501954.db2.gz MPHWHDKCUWGFRV-RTBURBONSA-N 2 1 327.472 2.235 20 30 EEEDMP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193630023 1282610519 /nfs/dbraw/zinc/61/05/19/1282610519.db2.gz AXMUUBOREXXEGB-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193630023 1282610527 /nfs/dbraw/zinc/61/05/27/1282610527.db2.gz AXMUUBOREXXEGB-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193630023 1282610536 /nfs/dbraw/zinc/61/05/36/1282610536.db2.gz AXMUUBOREXXEGB-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193630023 1282610551 /nfs/dbraw/zinc/61/05/51/1282610551.db2.gz AXMUUBOREXXEGB-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211177069 1295729603 /nfs/dbraw/zinc/72/96/03/1295729603.db2.gz SPVNEUKKVUGURD-MSOLQXFVSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211177069 1295729610 /nfs/dbraw/zinc/72/96/10/1295729610.db2.gz SPVNEUKKVUGURD-MSOLQXFVSA-N 2 1 339.524 2.258 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914808 1296222272 /nfs/dbraw/zinc/22/22/72/1296222272.db2.gz YAIFZFJVVLEUIU-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001214673899 1296553658 /nfs/dbraw/zinc/55/36/58/1296553658.db2.gz KVFOVXHNYWFANZ-OLMNPRSZSA-N 2 1 345.491 2.193 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001214673899 1296553666 /nfs/dbraw/zinc/55/36/66/1296553666.db2.gz KVFOVXHNYWFANZ-OLMNPRSZSA-N 2 1 345.491 2.193 20 30 EEEDMP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001218623791 1297738085 /nfs/dbraw/zinc/73/80/85/1297738085.db2.gz ICJRGQGRSTUNMJ-GBESFXJTSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222694127 1299797358 /nfs/dbraw/zinc/79/73/58/1299797358.db2.gz PBRGJEXOIKWJLX-QRVBRYPASA-N 2 1 331.504 2.217 20 30 EEEDMP C=CCCCC[NH+]1CC2(C1)CC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001276885983 1300110536 /nfs/dbraw/zinc/11/05/36/1300110536.db2.gz SXPBLDPFPPKMBV-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH+]1CCC(CNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001223837074 1300288711 /nfs/dbraw/zinc/28/87/11/1300288711.db2.gz LGHDRVBWHOBYFQ-UHFFFAOYSA-N 2 1 330.476 2.166 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001224558470 1300647956 /nfs/dbraw/zinc/64/79/56/1300647956.db2.gz FFFRATQPYZLEFZ-LJQANCHMSA-N 2 1 337.483 2.050 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)[C@H](C)C1 ZINC001102285160 1300739165 /nfs/dbraw/zinc/73/91/65/1300739165.db2.gz CQWXYXHFVRXDAL-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001102285160 1300739174 /nfs/dbraw/zinc/73/91/74/1300739174.db2.gz CQWXYXHFVRXDAL-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001102285160 1300739181 /nfs/dbraw/zinc/73/91/81/1300739181.db2.gz CQWXYXHFVRXDAL-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102524913 1301183527 /nfs/dbraw/zinc/18/35/27/1301183527.db2.gz CUSSIJXWDQYUDQ-HUUCEWRRSA-N 2 1 348.516 2.146 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102524913 1301183532 /nfs/dbraw/zinc/18/35/32/1301183532.db2.gz CUSSIJXWDQYUDQ-HUUCEWRRSA-N 2 1 348.516 2.146 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102524913 1301183535 /nfs/dbraw/zinc/18/35/35/1301183535.db2.gz CUSSIJXWDQYUDQ-HUUCEWRRSA-N 2 1 348.516 2.146 20 30 EEEDMP C[NH+](C)CCC(=O)NC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC001228999177 1302564477 /nfs/dbraw/zinc/56/44/77/1302564477.db2.gz OWGBJZHHCAYEEX-UHFFFAOYSA-N 2 1 347.890 2.224 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)CCc1c[nH]cn1)Cc1cccnc1 ZINC001230778502 1303450338 /nfs/dbraw/zinc/45/03/38/1303450338.db2.gz QZOGTCKPTRHSHL-UHFFFAOYSA-N 2 1 341.459 2.322 20 30 EEEDMP N#Cc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc(C2C[NH2+]C2)c1 ZINC001240345888 1309308905 /nfs/dbraw/zinc/30/89/05/1309308905.db2.gz SKWCXHISJVBYQO-UHFFFAOYSA-N 3 1 329.407 2.247 20 30 EEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001121117712 1309920765 /nfs/dbraw/zinc/92/07/65/1309920765.db2.gz QTANJENPUCBOPT-YYIRHMBSSA-N 2 1 331.504 2.454 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001121288970 1309970050 /nfs/dbraw/zinc/97/00/50/1309970050.db2.gz MWXUVOSNSMQFPB-NQPFRDSSSA-N 2 1 329.488 2.044 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001246306128 1310276872 /nfs/dbraw/zinc/27/68/72/1310276872.db2.gz UKPVQWJUJBFLAG-QAPCUYQASA-N 2 1 334.435 2.499 20 30 EEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@@H]4[C@H]5C[NH2+]C[C@H]5C[C@]4(C(=O)OC)C3)C[C@H](C1)C2 ZINC001246675730 1310377507 /nfs/dbraw/zinc/37/75/07/1310377507.db2.gz ZNRSUJNWBCGMSO-MADKRUHZSA-N 2 1 344.499 2.452 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150818046 1316384269 /nfs/dbraw/zinc/38/42/69/1316384269.db2.gz NFABLCBGQKARBG-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001153801922 1316886704 /nfs/dbraw/zinc/88/67/04/1316886704.db2.gz BWNUIORFZLFKRX-AEFFLSMTSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001153801922 1316886706 /nfs/dbraw/zinc/88/67/06/1316886706.db2.gz BWNUIORFZLFKRX-AEFFLSMTSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001153801922 1316886709 /nfs/dbraw/zinc/88/67/09/1316886709.db2.gz BWNUIORFZLFKRX-AEFFLSMTSA-N 2 1 337.508 2.033 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904471 1317377712 /nfs/dbraw/zinc/37/77/12/1317377712.db2.gz TVKOBJFLXAZSKE-CQSZACIVSA-N 2 1 336.505 2.288 20 30 EEEDMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)CC1 ZINC001254509410 1318091175 /nfs/dbraw/zinc/09/11/75/1318091175.db2.gz GDGURXRDQDFEDV-KRWDZBQOSA-N 2 1 340.471 2.237 20 30 EEEDMP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001158090103 1319005113 /nfs/dbraw/zinc/00/51/13/1319005113.db2.gz IPRZMYRJBPWCCE-BRWVUGGUSA-N 2 1 346.475 2.029 20 30 EEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001158472557 1319258051 /nfs/dbraw/zinc/25/80/51/1319258051.db2.gz BNQZIQZKZOASBQ-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001158472557 1319258061 /nfs/dbraw/zinc/25/80/61/1319258061.db2.gz BNQZIQZKZOASBQ-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160125420 1320075674 /nfs/dbraw/zinc/07/56/74/1320075674.db2.gz DSZRFKDXINMVBB-UHFFFAOYSA-N 2 1 331.504 2.413 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001160266361 1320116284 /nfs/dbraw/zinc/11/62/84/1320116284.db2.gz DMKVHNVIPPLCPL-KRWDZBQOSA-N 2 1 346.450 2.168 20 30 EEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160353527 1320142857 /nfs/dbraw/zinc/14/28/57/1320142857.db2.gz XBAFYVKRWNTTGV-KRWDZBQOSA-N 2 1 328.460 2.475 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160353527 1320142859 /nfs/dbraw/zinc/14/28/59/1320142859.db2.gz XBAFYVKRWNTTGV-KRWDZBQOSA-N 2 1 328.460 2.475 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001161041484 1320364609 /nfs/dbraw/zinc/36/46/09/1320364609.db2.gz JPNLWGZOJXTUCT-GOSISDBHSA-N 2 1 347.890 2.272 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001208454582 1324506920 /nfs/dbraw/zinc/50/69/20/1324506920.db2.gz YJOKYVCAXVFONV-SFHVURJKSA-N 2 1 342.487 2.369 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](C)C ZINC001208527327 1324543699 /nfs/dbraw/zinc/54/36/99/1324543699.db2.gz LANGWEZVXZZNAU-ATZDWAIDSA-N 2 1 342.487 2.081 20 30 EEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209221290 1324861143 /nfs/dbraw/zinc/86/11/43/1324861143.db2.gz AKZUCEFCSKTKCH-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001210485884 1325305110 /nfs/dbraw/zinc/30/51/10/1325305110.db2.gz NMSGNCIMRPMZPP-RHSMWYFYSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001210485884 1325305119 /nfs/dbraw/zinc/30/51/19/1325305119.db2.gz NMSGNCIMRPMZPP-RHSMWYFYSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001210485884 1325305123 /nfs/dbraw/zinc/30/51/23/1325305123.db2.gz NMSGNCIMRPMZPP-RHSMWYFYSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001210485884 1325305132 /nfs/dbraw/zinc/30/51/32/1325305132.db2.gz NMSGNCIMRPMZPP-RHSMWYFYSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001210494748 1325308353 /nfs/dbraw/zinc/30/83/53/1325308353.db2.gz XFRIBTFUHDKQAO-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001502144763 1342193871 /nfs/dbraw/zinc/19/38/71/1342193871.db2.gz CDWYLDDCVXYUMW-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001502144763 1342193880 /nfs/dbraw/zinc/19/38/80/1342193880.db2.gz CDWYLDDCVXYUMW-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001502144763 1342193892 /nfs/dbraw/zinc/19/38/92/1342193892.db2.gz CDWYLDDCVXYUMW-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP Cn1cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC001579964124 1344439735 /nfs/dbraw/zinc/43/97/35/1344439735.db2.gz JKMBRLBYWGXACV-BGYRXZFFSA-N 2 1 335.455 2.390 20 30 EEEDMP Cn1cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC001579964124 1344439737 /nfs/dbraw/zinc/43/97/37/1344439737.db2.gz JKMBRLBYWGXACV-BGYRXZFFSA-N 2 1 335.455 2.390 20 30 EEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCCC1 ZINC001115730069 1371698946 /nfs/dbraw/zinc/69/89/46/1371698946.db2.gz CGDWBVIVQTUJQS-INIZCTEOSA-N 2 1 330.476 2.349 20 30 EEEDMP CCCCCCCCNC(=[NH2+])NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000849108182 1373241150 /nfs/dbraw/zinc/24/11/50/1373241150.db2.gz ICGQJGXEZKHIFB-UHFFFAOYSA-N 2 1 325.545 2.487 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001390067789 1388427406 /nfs/dbraw/zinc/42/74/06/1388427406.db2.gz VANGEAIVQCVJNB-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001390067789 1388427409 /nfs/dbraw/zinc/42/74/09/1388427409.db2.gz VANGEAIVQCVJNB-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001390067789 1388427411 /nfs/dbraw/zinc/42/74/11/1388427411.db2.gz VANGEAIVQCVJNB-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[C@H](C(=O)NCC[N@H+](Cc1ccc(C#N)s1)C1CC1)[NH+](C)C ZINC001377540831 1379346947 /nfs/dbraw/zinc/34/69/47/1379346947.db2.gz YTXBIAVMKMSLGN-MRXNPFEDSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[C@H](C(=O)NCC[N@@H+](Cc1ccc(C#N)s1)C1CC1)[NH+](C)C ZINC001377540831 1379346955 /nfs/dbraw/zinc/34/69/55/1379346955.db2.gz YTXBIAVMKMSLGN-MRXNPFEDSA-N 2 1 334.489 2.041 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)s1)C(=O)[C@H]1CCCC[NH+]1C ZINC001380960247 1381467120 /nfs/dbraw/zinc/46/71/20/1381467120.db2.gz FPEOXMZMBKJBQW-QGZVFWFLSA-N 2 1 348.516 2.384 20 30 EEEDMP CN(CCC[NH+](C)Cc1ccc(C#N)s1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001380960247 1381467123 /nfs/dbraw/zinc/46/71/23/1381467123.db2.gz FPEOXMZMBKJBQW-QGZVFWFLSA-N 2 1 348.516 2.384 20 30 EEEDMP CN(CCC[NH+](C)Cc1ccc(C#N)s1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001380960247 1381467127 /nfs/dbraw/zinc/46/71/27/1381467127.db2.gz FPEOXMZMBKJBQW-QGZVFWFLSA-N 2 1 348.516 2.384 20 30 EEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)c(F)c1 ZINC001394867144 1390761564 /nfs/dbraw/zinc/76/15/64/1390761564.db2.gz QRNWTPHRRRVYDK-MRXNPFEDSA-N 2 1 339.842 2.378 20 30 EEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)c(F)c1 ZINC001394867144 1390761565 /nfs/dbraw/zinc/76/15/65/1390761565.db2.gz QRNWTPHRRRVYDK-MRXNPFEDSA-N 2 1 339.842 2.378 20 30 EEEDMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753232827 1406722587 /nfs/dbraw/zinc/72/25/87/1406722587.db2.gz NEWDQTSIGCZCHV-UHFFFAOYSA-N 2 1 330.476 2.084 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001402662255 1398134904 /nfs/dbraw/zinc/13/49/04/1398134904.db2.gz RHDXXFBAWQGHKI-LJQANCHMSA-N 2 1 344.503 2.425 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001423650229 1400721487 /nfs/dbraw/zinc/72/14/87/1400721487.db2.gz ZDDKEIKLKCYZHJ-SFHVURJKSA-N 2 1 348.516 2.290 20 30 EEEDMP C=CCCC[NH2+][C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001755118162 1407128783 /nfs/dbraw/zinc/12/87/83/1407128783.db2.gz FMZNGMBMMVZXSP-QAPCUYQASA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001755204825 1407218034 /nfs/dbraw/zinc/21/80/34/1407218034.db2.gz NOVAZYWDXIGUKE-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001755205677 1407219242 /nfs/dbraw/zinc/21/92/42/1407219242.db2.gz WFPJFRPKPAWUHJ-UXHICEINSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574517800 1403522120 /nfs/dbraw/zinc/52/21/20/1403522120.db2.gz QIJYPFVJIHCEKF-YFVAEKQCSA-N 2 1 339.483 2.159 20 30 EEEDMP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC001575048590 1403532365 /nfs/dbraw/zinc/53/23/65/1403532365.db2.gz KSJDMYTVNYSSFK-HUUCEWRRSA-N 2 1 332.423 2.132 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081432 1410519785 /nfs/dbraw/zinc/51/97/85/1410519785.db2.gz SIGUJGJNNMWPRG-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)c1 ZINC001168023661 782293910 /nfs/dbraw/zinc/29/39/10/782293910.db2.gz ZIMKGCIOTMYARR-OALUTQOASA-N 2 1 340.471 2.171 20 30 EEEDMP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030319 782401877 /nfs/dbraw/zinc/40/18/77/782401877.db2.gz NGTJNKNAASUULB-RBUKOAKNSA-N 2 1 340.471 2.171 20 30 EEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104371721 759864706 /nfs/dbraw/zinc/86/47/06/759864706.db2.gz CQUNESVOTYQJGU-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087297775 761518356 /nfs/dbraw/zinc/51/83/56/761518356.db2.gz TUQAMFDJMRAMRZ-NXHRZFHOSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087297775 761518360 /nfs/dbraw/zinc/51/83/60/761518360.db2.gz TUQAMFDJMRAMRZ-NXHRZFHOSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317605 761614059 /nfs/dbraw/zinc/61/40/59/761614059.db2.gz KMMUSXIJTYXPSZ-NXHRZFHOSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317605 761614063 /nfs/dbraw/zinc/61/40/63/761614063.db2.gz KMMUSXIJTYXPSZ-NXHRZFHOSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001088014177 782768653 /nfs/dbraw/zinc/76/86/53/782768653.db2.gz JADYZEFLWMMSSP-PMPSAXMXSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001088014177 782768661 /nfs/dbraw/zinc/76/86/61/782768661.db2.gz JADYZEFLWMMSSP-PMPSAXMXSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088014177 782768666 /nfs/dbraw/zinc/76/86/66/782768666.db2.gz JADYZEFLWMMSSP-PMPSAXMXSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088014177 782768675 /nfs/dbraw/zinc/76/86/75/782768675.db2.gz JADYZEFLWMMSSP-PMPSAXMXSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023110 782782959 /nfs/dbraw/zinc/78/29/59/782782959.db2.gz OWVRMDZLPAUFDP-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023110 782782967 /nfs/dbraw/zinc/78/29/67/782782967.db2.gz OWVRMDZLPAUFDP-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023110 782782968 /nfs/dbraw/zinc/78/29/68/782782968.db2.gz OWVRMDZLPAUFDP-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565705 770431429 /nfs/dbraw/zinc/43/14/29/770431429.db2.gz XGDZBBZLPMDTEW-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565705 770431433 /nfs/dbraw/zinc/43/14/33/770431433.db2.gz XGDZBBZLPMDTEW-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565705 770431438 /nfs/dbraw/zinc/43/14/38/770431438.db2.gz XGDZBBZLPMDTEW-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001088084746 782883735 /nfs/dbraw/zinc/88/37/35/782883735.db2.gz CTKQGXBTDRDALW-SQNIBIBYSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001088084746 782883741 /nfs/dbraw/zinc/88/37/41/782883741.db2.gz CTKQGXBTDRDALW-SQNIBIBYSA-N 2 1 342.487 2.110 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC000980083035 773838977 /nfs/dbraw/zinc/83/89/77/773838977.db2.gz GWOJLFWAXUZKIM-YESZJQIVSA-N 2 1 336.439 2.106 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4nccn43)C[C@@H]2C1 ZINC000980143831 773940590 /nfs/dbraw/zinc/94/05/90/773940590.db2.gz PARPWRBULUDRQQ-GVDBMIGSSA-N 2 1 336.439 2.188 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885977 774001203 /nfs/dbraw/zinc/00/12/03/774001203.db2.gz LVHPGQRBDNTFAL-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885977 774001208 /nfs/dbraw/zinc/00/12/08/774001208.db2.gz LVHPGQRBDNTFAL-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885977 774001213 /nfs/dbraw/zinc/00/12/13/774001213.db2.gz LVHPGQRBDNTFAL-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)CCC1 ZINC000981324619 777173654 /nfs/dbraw/zinc/17/36/54/777173654.db2.gz QKEQSVVPWWAWDY-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)CCC1 ZINC000981324619 777173658 /nfs/dbraw/zinc/17/36/58/777173658.db2.gz QKEQSVVPWWAWDY-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000981341232 777184815 /nfs/dbraw/zinc/18/48/15/777184815.db2.gz RJAPTNUOCCTTKZ-JKSUJKDBSA-N 2 1 346.475 2.477 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)C1)C2 ZINC000981818853 778261701 /nfs/dbraw/zinc/26/17/01/778261701.db2.gz FXNABNUBFUSXNI-ACBHZAAOSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)C1)C2 ZINC000981818853 778261706 /nfs/dbraw/zinc/26/17/06/778261706.db2.gz FXNABNUBFUSXNI-ACBHZAAOSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC1CC(C)C1)C2 ZINC000981818853 778261711 /nfs/dbraw/zinc/26/17/11/778261711.db2.gz FXNABNUBFUSXNI-ACBHZAAOSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC1CC(C)C1)C2 ZINC000981818853 778261714 /nfs/dbraw/zinc/26/17/14/778261714.db2.gz FXNABNUBFUSXNI-ACBHZAAOSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000981964394 778694792 /nfs/dbraw/zinc/69/47/92/778694792.db2.gz GTZDZHGBOXIMLN-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000981964394 778694795 /nfs/dbraw/zinc/69/47/95/778694795.db2.gz GTZDZHGBOXIMLN-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981964394 778694800 /nfs/dbraw/zinc/69/48/00/778694800.db2.gz GTZDZHGBOXIMLN-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981964394 778694805 /nfs/dbraw/zinc/69/48/05/778694805.db2.gz GTZDZHGBOXIMLN-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](C[C@@H](F)CC)C3)CC1 ZINC000982161898 779181190 /nfs/dbraw/zinc/18/11/90/779181190.db2.gz CIZHPXSUUKNXIY-SFHVURJKSA-N 2 1 349.494 2.004 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982295724 779609814 /nfs/dbraw/zinc/60/98/14/779609814.db2.gz BSRPCNAONJPXAW-NRSPTQNISA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088861031 790883135 /nfs/dbraw/zinc/88/31/35/790883135.db2.gz MKIQKEKXBLXOCY-HFTRVMKXSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088861031 790883150 /nfs/dbraw/zinc/88/31/50/790883150.db2.gz MKIQKEKXBLXOCY-HFTRVMKXSA-N 2 1 330.476 2.299 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035210620 784126068 /nfs/dbraw/zinc/12/60/68/784126068.db2.gz ARMNLNJVWFBKIW-LJQANCHMSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035213046 784133338 /nfs/dbraw/zinc/13/33/38/784133338.db2.gz DCRROGJOUYFAOW-UHFFFAOYSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413701 787192665 /nfs/dbraw/zinc/19/26/65/787192665.db2.gz MMIINOPRMZFRBG-SQGPQFPESA-N 2 1 342.487 2.391 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413701 787192670 /nfs/dbraw/zinc/19/26/70/787192670.db2.gz MMIINOPRMZFRBG-SQGPQFPESA-N 2 1 342.487 2.391 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485376 787381461 /nfs/dbraw/zinc/38/14/61/787381461.db2.gz YGWODOOMHCOSEN-WSTZPKSXSA-N 2 1 331.504 2.408 20 30 EEEDMP C[NH+](C)CCOc1ccccc1-c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822807729 787398980 /nfs/dbraw/zinc/39/89/80/787398980.db2.gz FKRFACQELHBPAO-AWEZNQCLSA-N 2 1 329.404 2.371 20 30 EEEDMP CCOCCC[NH+]=C(NC[C@@H]1CC[N@H+](C(C)C)C1)NC(C)(C)C ZINC000912499160 788210869 /nfs/dbraw/zinc/21/08/69/788210869.db2.gz MVBMBOKGEDWGJU-INIZCTEOSA-N 2 1 326.529 2.477 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997334933 789610492 /nfs/dbraw/zinc/61/04/92/789610492.db2.gz ZSBSZCCYOZXHHT-MJGOQNOKSA-N 2 1 333.520 2.489 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)C1 ZINC001147829040 791986511 /nfs/dbraw/zinc/98/65/11/791986511.db2.gz AVBMQYGQHZZGPU-UHFFFAOYSA-N 2 1 348.878 2.195 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)C1 ZINC001147829040 791986515 /nfs/dbraw/zinc/98/65/15/791986515.db2.gz AVBMQYGQHZZGPU-UHFFFAOYSA-N 2 1 348.878 2.195 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040479201 792447491 /nfs/dbraw/zinc/44/74/91/792447491.db2.gz PGJMNHAWNITGIA-HXUWFJFHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741048 792607520 /nfs/dbraw/zinc/60/75/20/792607520.db2.gz XLZGZJPFJLQLMG-PBHICJAKSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741048 792607526 /nfs/dbraw/zinc/60/75/26/792607526.db2.gz XLZGZJPFJLQLMG-PBHICJAKSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741048 792607529 /nfs/dbraw/zinc/60/75/29/792607529.db2.gz XLZGZJPFJLQLMG-PBHICJAKSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741048 792607534 /nfs/dbraw/zinc/60/75/34/792607534.db2.gz XLZGZJPFJLQLMG-PBHICJAKSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956092 793097742 /nfs/dbraw/zinc/09/77/42/793097742.db2.gz DZIZYGBURXGTBL-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992191819 793155497 /nfs/dbraw/zinc/15/54/97/793155497.db2.gz SBRFWHKSVSFNML-AYOQOUSVSA-N 2 1 337.483 2.498 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992191819 793155502 /nfs/dbraw/zinc/15/55/02/793155502.db2.gz SBRFWHKSVSFNML-AYOQOUSVSA-N 2 1 337.483 2.498 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992191819 793155509 /nfs/dbraw/zinc/15/55/09/793155509.db2.gz SBRFWHKSVSFNML-AYOQOUSVSA-N 2 1 337.483 2.498 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3nccn3C)C[C@]2(C)C1 ZINC001091876002 793377399 /nfs/dbraw/zinc/37/73/99/793377399.db2.gz NBQPMNCAYHHCEN-APWZRJJASA-N 2 1 330.476 2.099 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992297637 793563251 /nfs/dbraw/zinc/56/32/51/793563251.db2.gz JQWOHYJMAUPVAG-CMKODMSKSA-N 2 1 331.504 2.387 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092187998 793650464 /nfs/dbraw/zinc/65/04/64/793650464.db2.gz KEEJNVQINAMYQC-CTNGQTDRSA-N 2 1 345.531 2.465 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](C[C@H](C)CC)C[C@@]3(C)C2)CC1 ZINC001092300288 793777117 /nfs/dbraw/zinc/77/71/17/793777117.db2.gz USTISRAZKQYSGI-QFUCXCTJSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092609641 794141504 /nfs/dbraw/zinc/14/15/04/794141504.db2.gz GRXCXHDUKMHODL-GUDVDZBRSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092609641 794141510 /nfs/dbraw/zinc/14/15/10/794141510.db2.gz GRXCXHDUKMHODL-GUDVDZBRSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092609641 794141516 /nfs/dbraw/zinc/14/15/16/794141516.db2.gz GRXCXHDUKMHODL-GUDVDZBRSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092610200 794143104 /nfs/dbraw/zinc/14/31/04/794143104.db2.gz PIBJMPDJLOMIPB-CEXWTWQISA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092610200 794143106 /nfs/dbraw/zinc/14/31/06/794143106.db2.gz PIBJMPDJLOMIPB-CEXWTWQISA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092610200 794143111 /nfs/dbraw/zinc/14/31/11/794143111.db2.gz PIBJMPDJLOMIPB-CEXWTWQISA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001079318629 794574119 /nfs/dbraw/zinc/57/41/19/794574119.db2.gz POMCFUKLWHFITG-VDZJLULYSA-N 2 1 345.462 2.238 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093384367 795128613 /nfs/dbraw/zinc/12/86/13/795128613.db2.gz XSNVDKDNMSZGQI-HXUWFJFHSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036866946 795608939 /nfs/dbraw/zinc/60/89/39/795608939.db2.gz MWQFORTZTQSRBB-WOJBJXKFSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106591196 795903046 /nfs/dbraw/zinc/90/30/46/795903046.db2.gz RCPBNONSIQIAHG-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993619635 796845287 /nfs/dbraw/zinc/84/52/87/796845287.db2.gz HIJXKAOSUMYRCK-LPHOPBHVSA-N 2 1 327.472 2.007 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993622237 796847986 /nfs/dbraw/zinc/84/79/86/796847986.db2.gz OEVYHIBSABJBGG-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993622237 796847987 /nfs/dbraw/zinc/84/79/87/796847987.db2.gz OEVYHIBSABJBGG-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H](C)CCCC#N)CCC2 ZINC001172496077 797008140 /nfs/dbraw/zinc/00/81/40/797008140.db2.gz XDQDLXMMJKKSDQ-INIZCTEOSA-N 2 1 345.491 2.373 20 30 EEEDMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H](C)CCCC#N)CCC2 ZINC001172496077 797008141 /nfs/dbraw/zinc/00/81/41/797008141.db2.gz XDQDLXMMJKKSDQ-INIZCTEOSA-N 2 1 345.491 2.373 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993803912 797031550 /nfs/dbraw/zinc/03/15/50/797031550.db2.gz JVPSOQXACGGVCB-XLIONFOSSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401614 798384493 /nfs/dbraw/zinc/38/44/93/798384493.db2.gz VVHLPCZLMXRMJC-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401614 798384499 /nfs/dbraw/zinc/38/44/99/798384499.db2.gz VVHLPCZLMXRMJC-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401614 798384506 /nfs/dbraw/zinc/38/45/06/798384506.db2.gz VVHLPCZLMXRMJC-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563769 798497519 /nfs/dbraw/zinc/49/75/19/798497519.db2.gz HEDSNTIIGOZARL-QFBILLFUSA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001108050902 798636032 /nfs/dbraw/zinc/63/60/32/798636032.db2.gz BPZXRAAXDANTJR-IBGZPJMESA-N 2 1 342.443 2.121 20 30 EEEDMP CC#CC[NH2+]CCCCCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001179033462 799759820 /nfs/dbraw/zinc/75/98/20/799759820.db2.gz NDIFHTWMEHKCRL-UHFFFAOYSA-N 2 1 330.476 2.051 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001179539469 799982541 /nfs/dbraw/zinc/98/25/41/799982541.db2.gz YMFOAVZAEHIXNF-LESCRADOSA-N 2 1 330.476 2.299 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001181763219 800896243 /nfs/dbraw/zinc/89/62/43/800896243.db2.gz CSAQQGBWUUVSOG-SLYNCCJLSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001181763219 800896246 /nfs/dbraw/zinc/89/62/46/800896246.db2.gz CSAQQGBWUUVSOG-SLYNCCJLSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001085646456 800966184 /nfs/dbraw/zinc/96/61/84/800966184.db2.gz CFWACVWHJLQNMH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001085646456 800966186 /nfs/dbraw/zinc/96/61/86/800966186.db2.gz CFWACVWHJLQNMH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001085646456 800966188 /nfs/dbraw/zinc/96/61/88/800966188.db2.gz CFWACVWHJLQNMH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001085646456 800966190 /nfs/dbraw/zinc/96/61/90/800966190.db2.gz CFWACVWHJLQNMH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108206695 801118155 /nfs/dbraw/zinc/11/81/55/801118155.db2.gz HILKIIOGZJYVTK-MJGOQNOKSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001183291492 801549794 /nfs/dbraw/zinc/54/97/94/801549794.db2.gz SLHMBHHRJAOOOZ-OLMNPRSZSA-N 2 1 339.911 2.299 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC2=CCCCC2)CC1 ZINC001085986648 801840156 /nfs/dbraw/zinc/84/01/56/801840156.db2.gz KATXZCVTLWKZPR-HXUWFJFHSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001004460847 802131883 /nfs/dbraw/zinc/13/18/83/802131883.db2.gz XIZZISVKSBKRMA-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004460847 802131887 /nfs/dbraw/zinc/13/18/87/802131887.db2.gz XIZZISVKSBKRMA-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004460847 802131892 /nfs/dbraw/zinc/13/18/92/802131892.db2.gz XIZZISVKSBKRMA-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086106283 802191596 /nfs/dbraw/zinc/19/15/96/802191596.db2.gz BDDKMSBPXZGNMX-HRCADAONSA-N 2 1 327.900 2.201 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001004525379 802295630 /nfs/dbraw/zinc/29/56/30/802295630.db2.gz GDVDKCWMSZRMLI-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001004525379 802295633 /nfs/dbraw/zinc/29/56/33/802295633.db2.gz GDVDKCWMSZRMLI-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001004525379 802295639 /nfs/dbraw/zinc/29/56/39/802295639.db2.gz GDVDKCWMSZRMLI-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004566007 802381565 /nfs/dbraw/zinc/38/15/65/802381565.db2.gz BLGFFAJHHHCPFD-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004569056 802388812 /nfs/dbraw/zinc/38/88/12/802388812.db2.gz OZDQPVGWSNIQFL-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086587753 808781306 /nfs/dbraw/zinc/78/13/06/808781306.db2.gz LXMRBQNSJANGOD-ZCNNSNEGSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086587753 808781312 /nfs/dbraw/zinc/78/13/12/808781312.db2.gz LXMRBQNSJANGOD-ZCNNSNEGSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001086587753 808781317 /nfs/dbraw/zinc/78/13/17/808781317.db2.gz LXMRBQNSJANGOD-ZCNNSNEGSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001086587753 808781324 /nfs/dbraw/zinc/78/13/24/808781324.db2.gz LXMRBQNSJANGOD-ZCNNSNEGSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001129771119 810994597 /nfs/dbraw/zinc/99/45/97/810994597.db2.gz RMQGRQFDTONTLV-ROUUACIJSA-N 2 1 331.435 2.080 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001129771119 810994602 /nfs/dbraw/zinc/99/46/02/810994602.db2.gz RMQGRQFDTONTLV-ROUUACIJSA-N 2 1 331.435 2.080 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480379964 1100169644 /nfs/dbraw/zinc/16/96/44/1100169644.db2.gz NYSATULWVPSJHE-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001480379964 1100169650 /nfs/dbraw/zinc/16/96/50/1100169650.db2.gz NYSATULWVPSJHE-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001480379964 1100169654 /nfs/dbraw/zinc/16/96/54/1100169654.db2.gz NYSATULWVPSJHE-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C[NH+](C)CCCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000123251184 282083478 /nfs/dbraw/zinc/08/34/78/282083478.db2.gz VGGFCHFGQQTMGV-SFHVURJKSA-N 2 1 328.460 2.138 20 30 EEEDMP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000424161232 240855238 /nfs/dbraw/zinc/85/52/38/240855238.db2.gz VHXRSRNSMWATCS-OAHLLOKOSA-N 2 1 332.473 2.195 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000491506144 533098058 /nfs/dbraw/zinc/09/80/58/533098058.db2.gz OMJYHGUTEGYKMB-UHFFFAOYSA-N 2 1 328.338 2.477 20 30 EEEDMP COc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C#N ZINC000180938976 533536881 /nfs/dbraw/zinc/53/68/81/533536881.db2.gz WRPVEKJGKXMBLK-UHFFFAOYSA-N 2 1 330.476 2.025 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000104181506 533551473 /nfs/dbraw/zinc/55/14/73/533551473.db2.gz IGXQTGVQTFBWNN-MRXNPFEDSA-N 2 1 348.491 2.229 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1CC ZINC001087660751 782022631 /nfs/dbraw/zinc/02/26/31/782022631.db2.gz AMCQSXGUQCQSKE-DLBZAZTESA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1CC ZINC001087660751 782022638 /nfs/dbraw/zinc/02/26/38/782022638.db2.gz AMCQSXGUQCQSKE-DLBZAZTESA-N 2 1 330.476 2.307 20 30 EEEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000576029157 320134658 /nfs/dbraw/zinc/13/46/58/320134658.db2.gz UWWZBAMZCIGQNW-HKUYNNGSSA-N 2 1 345.487 2.400 20 30 EEEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150752271 463420480 /nfs/dbraw/zinc/42/04/80/463420480.db2.gz KLTQAKLWDNYDCP-QGZVFWFLSA-N 2 1 326.444 2.305 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000178903901 464009909 /nfs/dbraw/zinc/00/99/09/464009909.db2.gz XEFBANXVPBUABY-QGZVFWFLSA-N 2 1 336.524 2.304 20 30 EEEDMP C#CCOc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000289554548 464084659 /nfs/dbraw/zinc/08/46/59/464084659.db2.gz XYLVPJBZRXXVRL-UHFFFAOYSA-N 2 1 329.488 2.156 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccccc2F)C1 ZINC000290869352 464134980 /nfs/dbraw/zinc/13/49/80/464134980.db2.gz AUNAAFXONKRCAV-CVEARBPZSA-N 2 1 347.482 2.041 20 30 EEEDMP CC(C)CCNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190537451 464670268 /nfs/dbraw/zinc/67/02/68/464670268.db2.gz WCQOYYZNNCBPMA-SFHVURJKSA-N 2 1 332.492 2.228 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000359218222 465387444 /nfs/dbraw/zinc/38/74/44/465387444.db2.gz DFJUPZCAVJOZQY-FUHWJXTLSA-N 2 1 334.508 2.221 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330033563 465512226 /nfs/dbraw/zinc/51/22/26/465512226.db2.gz VQOGFLOWNNTYRP-BXUZGUMPSA-N 2 1 330.436 2.010 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330033563 465512229 /nfs/dbraw/zinc/51/22/29/465512229.db2.gz VQOGFLOWNNTYRP-BXUZGUMPSA-N 2 1 330.436 2.010 20 30 EEEDMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000303040088 466219032 /nfs/dbraw/zinc/21/90/32/466219032.db2.gz LYSCWPYJIGHXHS-GOSISDBHSA-N 2 1 331.460 2.103 20 30 EEEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000303040088 466219034 /nfs/dbraw/zinc/21/90/34/466219034.db2.gz LYSCWPYJIGHXHS-GOSISDBHSA-N 2 1 331.460 2.103 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000580641410 468480823 /nfs/dbraw/zinc/48/08/23/468480823.db2.gz MVYIKRCFLOYWTE-GOSISDBHSA-N 2 1 338.879 2.458 20 30 EEEDMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)C1 ZINC000424156785 466991503 /nfs/dbraw/zinc/99/15/03/466991503.db2.gz QCAFSFYDHGFWSP-CRAIPNDOSA-N 2 1 344.459 2.367 20 30 EEEDMP C[C@H]1COCC[N@H+]1C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000562478099 468965594 /nfs/dbraw/zinc/96/55/94/468965594.db2.gz VHVUBVFWZAJYIM-INIZCTEOSA-N 2 1 329.444 2.122 20 30 EEEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000611392009 469239216 /nfs/dbraw/zinc/23/92/16/469239216.db2.gz IJPFZGFBKLJUSW-PKOBYXMFSA-N 2 1 340.471 2.113 20 30 EEEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000611392000 469239770 /nfs/dbraw/zinc/23/97/70/469239770.db2.gz IJPFZGFBKLJUSW-HKUYNNGSSA-N 2 1 340.471 2.113 20 30 EEEDMP C[C@@H](CCC#N)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000602549208 469357447 /nfs/dbraw/zinc/35/74/47/469357447.db2.gz SWTIIWLNVWAVFX-QFBILLFUSA-N 2 1 342.487 2.413 20 30 EEEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610370269 470008870 /nfs/dbraw/zinc/00/88/70/470008870.db2.gz QHNUKLGMSMOPBK-RTBURBONSA-N 2 1 345.487 2.299 20 30 EEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610370269 470008873 /nfs/dbraw/zinc/00/88/73/470008873.db2.gz QHNUKLGMSMOPBK-RTBURBONSA-N 2 1 345.487 2.299 20 30 EEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610370269 470008877 /nfs/dbraw/zinc/00/88/77/470008877.db2.gz QHNUKLGMSMOPBK-RTBURBONSA-N 2 1 345.487 2.299 20 30 EEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610370269 470008881 /nfs/dbraw/zinc/00/88/81/470008881.db2.gz QHNUKLGMSMOPBK-RTBURBONSA-N 2 1 345.487 2.299 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654431582 471957257 /nfs/dbraw/zinc/95/72/57/471957257.db2.gz REEMBODPIBDICG-ZWKOTPCHSA-N 2 1 334.508 2.343 20 30 EEEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000264986555 535945014 /nfs/dbraw/zinc/94/50/14/535945014.db2.gz AEZDXEPBZRQXPQ-ZDUSSCGKSA-N 2 1 334.851 2.424 20 30 EEEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000447534240 536406952 /nfs/dbraw/zinc/40/69/52/536406952.db2.gz VSIGDUGJFDIJSC-PKOBYXMFSA-N 2 1 340.471 2.246 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039204982 676091291 /nfs/dbraw/zinc/09/12/91/676091291.db2.gz JGOBMPMTXWITAH-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039204982 676091294 /nfs/dbraw/zinc/09/12/94/676091294.db2.gz JGOBMPMTXWITAH-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039204982 676091296 /nfs/dbraw/zinc/09/12/96/676091296.db2.gz JGOBMPMTXWITAH-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671658 676326920 /nfs/dbraw/zinc/32/69/20/676326920.db2.gz UWLLKQPNLMRTHQ-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021671658 676326923 /nfs/dbraw/zinc/32/69/23/676326923.db2.gz UWLLKQPNLMRTHQ-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021671658 676326924 /nfs/dbraw/zinc/32/69/24/676326924.db2.gz UWLLKQPNLMRTHQ-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021740986 676399728 /nfs/dbraw/zinc/39/97/28/676399728.db2.gz XVFPGAZSTOOCHI-VQTJNVASSA-N 2 1 339.483 2.308 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262012633 677834723 /nfs/dbraw/zinc/83/47/23/677834723.db2.gz WZLGTELOIWXFAA-KSZLIROESA-N 2 1 346.523 2.216 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC000972354192 678593523 /nfs/dbraw/zinc/59/35/23/678593523.db2.gz KATPSAMDRLWKOT-WMZOPIPTSA-N 2 1 346.450 2.070 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC000972354192 678593526 /nfs/dbraw/zinc/59/35/26/678593526.db2.gz KATPSAMDRLWKOT-WMZOPIPTSA-N 2 1 346.450 2.070 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001023371830 679277891 /nfs/dbraw/zinc/27/78/91/679277891.db2.gz GOEYYLKWDZEDMI-HRCADAONSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001023371830 679277893 /nfs/dbraw/zinc/27/78/93/679277893.db2.gz GOEYYLKWDZEDMI-HRCADAONSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023371830 679277894 /nfs/dbraw/zinc/27/78/94/679277894.db2.gz GOEYYLKWDZEDMI-HRCADAONSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023371830 679277895 /nfs/dbraw/zinc/27/78/95/679277895.db2.gz GOEYYLKWDZEDMI-HRCADAONSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972583852 679356725 /nfs/dbraw/zinc/35/67/25/679356725.db2.gz ZKLSFGPMGLFVKC-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587996 679399733 /nfs/dbraw/zinc/39/97/33/679399733.db2.gz PJBMPMPWJVDZSO-SJORKVTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587996 679399735 /nfs/dbraw/zinc/39/97/35/679399735.db2.gz PJBMPMPWJVDZSO-SJORKVTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000972689131 679606277 /nfs/dbraw/zinc/60/62/77/679606277.db2.gz SZGUWGWOVBOLGE-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689131 679606280 /nfs/dbraw/zinc/60/62/80/679606280.db2.gz SZGUWGWOVBOLGE-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689131 679606282 /nfs/dbraw/zinc/60/62/82/679606282.db2.gz SZGUWGWOVBOLGE-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024021209 679764950 /nfs/dbraw/zinc/76/49/50/679764950.db2.gz AFEKIRKOPKDQRF-PMACEKPBSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024021209 679764952 /nfs/dbraw/zinc/76/49/52/679764952.db2.gz AFEKIRKOPKDQRF-PMACEKPBSA-N 2 1 343.515 2.413 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261229 682353711 /nfs/dbraw/zinc/35/37/11/682353711.db2.gz UHVANWJNNFAXCH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)NC[C@H]1CCCS1 ZINC000261975354 682706423 /nfs/dbraw/zinc/70/64/23/682706423.db2.gz NOOAYXPGMCACCC-OAHLLOKOSA-N 2 1 344.488 2.136 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000983900615 683744801 /nfs/dbraw/zinc/74/48/01/683744801.db2.gz HJCTUVSFZWCTEF-ZULIPRJHSA-N 2 1 339.483 2.330 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000983900615 683744804 /nfs/dbraw/zinc/74/48/04/683744804.db2.gz HJCTUVSFZWCTEF-ZULIPRJHSA-N 2 1 339.483 2.330 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001027062892 686020381 /nfs/dbraw/zinc/02/03/81/686020381.db2.gz DJFXRUVGMNOOBJ-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040276 686064325 /nfs/dbraw/zinc/06/43/25/686064325.db2.gz PUDBIJZOWVSBFM-KXBFYZLASA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040276 686064333 /nfs/dbraw/zinc/06/43/33/686064333.db2.gz PUDBIJZOWVSBFM-KXBFYZLASA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040276 686064340 /nfs/dbraw/zinc/06/43/40/686064340.db2.gz PUDBIJZOWVSBFM-KXBFYZLASA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040276 686064347 /nfs/dbraw/zinc/06/43/47/686064347.db2.gz PUDBIJZOWVSBFM-KXBFYZLASA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000985594563 687280998 /nfs/dbraw/zinc/28/09/98/687280998.db2.gz XCJCLABYMNEXSR-LJQANCHMSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000985594563 687280999 /nfs/dbraw/zinc/28/09/99/687280999.db2.gz XCJCLABYMNEXSR-LJQANCHMSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000985594563 687281003 /nfs/dbraw/zinc/28/10/03/687281003.db2.gz XCJCLABYMNEXSR-LJQANCHMSA-N 2 1 331.504 2.340 20 30 EEEDMP C=CCCC[C@H]([NH3+])c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000904626643 694439710 /nfs/dbraw/zinc/43/97/10/694439710.db2.gz NKJPWTVQZUFHHR-AWEZNQCLSA-N 2 1 331.420 2.428 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000989450016 691849310 /nfs/dbraw/zinc/84/93/10/691849310.db2.gz MFQPVYORYWNXKK-HUUCEWRRSA-N 2 1 332.448 2.039 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001027461567 692202126 /nfs/dbraw/zinc/20/21/26/692202126.db2.gz NCDTVWBNPCNVCE-WMLDXEAASA-N 2 1 348.516 2.383 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001088413210 1186825971 /nfs/dbraw/zinc/82/59/71/1186825971.db2.gz ALISMKDOICLPCE-JKSUJKDBSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(C)CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001105462089 1187526262 /nfs/dbraw/zinc/52/62/62/1187526262.db2.gz HVTGFQOXSBLTDF-QPIRBTGLSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001076187054 1188771883 /nfs/dbraw/zinc/77/18/83/1188771883.db2.gz PQFBXMSQMGLLTL-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001076187054 1188771885 /nfs/dbraw/zinc/77/18/85/1188771885.db2.gz PQFBXMSQMGLLTL-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991066289 1189804345 /nfs/dbraw/zinc/80/43/45/1189804345.db2.gz IDECMQPTUSWBRR-JTDSTZFVSA-N 2 1 328.460 2.450 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991066289 1189804358 /nfs/dbraw/zinc/80/43/58/1189804358.db2.gz IDECMQPTUSWBRR-JTDSTZFVSA-N 2 1 328.460 2.450 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046073 1195697629 /nfs/dbraw/zinc/69/76/29/1195697629.db2.gz PNIFWMOJNHLINK-LJQANCHMSA-N 2 1 327.472 2.308 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001034046988 1195699169 /nfs/dbraw/zinc/69/91/69/1195699169.db2.gz WYBOXENXYYYJAW-ROUUACIJSA-N 2 1 337.483 2.003 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406642 1199665257 /nfs/dbraw/zinc/66/52/57/1199665257.db2.gz LYNMQKKEVCPBMI-SJORKVTESA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001133122967 1200477996 /nfs/dbraw/zinc/47/79/96/1200477996.db2.gz WRRZJISNGAYWSW-AZUAARDMSA-N 2 1 343.515 2.421 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)CC1 ZINC000870906157 1200944407 /nfs/dbraw/zinc/94/44/07/1200944407.db2.gz JLVYZDCHQADBOI-HXUWFJFHSA-N 2 1 339.483 2.031 20 30 EEEDMP C=CCn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cn1 ZINC001275381322 1205330504 /nfs/dbraw/zinc/33/05/04/1205330504.db2.gz RIELWRYMZPBJML-MOPGFXCFSA-N 2 1 331.508 2.155 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnco2)CC3)cc1C#N ZINC001276161953 1205806320 /nfs/dbraw/zinc/80/63/20/1205806320.db2.gz YDBLLSDRXWGPCQ-UHFFFAOYSA-N 2 1 339.443 2.373 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000948040392 1208835779 /nfs/dbraw/zinc/83/57/79/1208835779.db2.gz PJCWTBHPTBTXSU-CABCVRRESA-N 2 1 346.500 2.185 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(Cc2cccc(C#N)c2)CC1 ZINC000948850384 1209415894 /nfs/dbraw/zinc/41/58/94/1209415894.db2.gz IVZFTDKEQHSBDI-IBGZPJMESA-N 2 1 340.471 2.077 20 30 EEEDMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000948916167 1209450901 /nfs/dbraw/zinc/45/09/01/1209450901.db2.gz PAGZYRKDHFOAJX-VQTJNVASSA-N 2 1 339.483 2.230 20 30 EEEDMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000948916167 1209450903 /nfs/dbraw/zinc/45/09/03/1209450903.db2.gz PAGZYRKDHFOAJX-VQTJNVASSA-N 2 1 339.483 2.230 20 30 EEEDMP CCN(CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1cccc(C)c1 ZINC000303786743 1213904565 /nfs/dbraw/zinc/90/45/65/1213904565.db2.gz RPBBBSOBSVUYNL-GOSISDBHSA-N 2 1 331.508 2.210 20 30 EEEDMP CCCC(=O)Nc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000303879975 1213917750 /nfs/dbraw/zinc/91/77/50/1213917750.db2.gz GVIGUXJRUJZHFI-QGZVFWFLSA-N 2 1 345.491 2.314 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733759 1225604751 /nfs/dbraw/zinc/60/47/51/1225604751.db2.gz WSDKXGNOWLJRJT-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733759 1225604753 /nfs/dbraw/zinc/60/47/53/1225604753.db2.gz WSDKXGNOWLJRJT-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733759 1225604756 /nfs/dbraw/zinc/60/47/56/1225604756.db2.gz WSDKXGNOWLJRJT-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000959913304 1216224126 /nfs/dbraw/zinc/22/41/26/1216224126.db2.gz MJCAEXSDWNWZQI-GDAAHCPNSA-N 2 1 331.504 2.264 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000959913304 1216224132 /nfs/dbraw/zinc/22/41/32/1216224132.db2.gz MJCAEXSDWNWZQI-GDAAHCPNSA-N 2 1 331.504 2.264 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000959913304 1216224136 /nfs/dbraw/zinc/22/41/36/1216224136.db2.gz MJCAEXSDWNWZQI-GDAAHCPNSA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC000960290062 1216475410 /nfs/dbraw/zinc/47/54/10/1216475410.db2.gz OLRFVIWXJNYGMJ-AIANPOQGSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960290062 1216475413 /nfs/dbraw/zinc/47/54/13/1216475413.db2.gz OLRFVIWXJNYGMJ-AIANPOQGSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960290062 1216475416 /nfs/dbraw/zinc/47/54/16/1216475416.db2.gz OLRFVIWXJNYGMJ-AIANPOQGSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960290062 1216475419 /nfs/dbraw/zinc/47/54/19/1216475419.db2.gz OLRFVIWXJNYGMJ-AIANPOQGSA-N 2 1 325.884 2.048 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199641 1217084890 /nfs/dbraw/zinc/08/48/90/1217084890.db2.gz LARFNRJVJBQIJD-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961293309 1217132298 /nfs/dbraw/zinc/13/22/98/1217132298.db2.gz NVVGZEOERYYBQG-WOJBJXKFSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961372434 1217162478 /nfs/dbraw/zinc/16/24/78/1217162478.db2.gz DLYXHZIOQHTAGM-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961372434 1217162479 /nfs/dbraw/zinc/16/24/79/1217162479.db2.gz DLYXHZIOQHTAGM-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961372434 1217162480 /nfs/dbraw/zinc/16/24/80/1217162480.db2.gz DLYXHZIOQHTAGM-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961432787 1217187984 /nfs/dbraw/zinc/18/79/84/1217187984.db2.gz SHKOFLWEPKPNTB-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432787 1217187986 /nfs/dbraw/zinc/18/79/86/1217187986.db2.gz SHKOFLWEPKPNTB-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432787 1217187989 /nfs/dbraw/zinc/18/79/89/1217187989.db2.gz SHKOFLWEPKPNTB-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)c2cc([C@H]3CCCN3C)n[nH]2)CC1 ZINC000963338329 1217533657 /nfs/dbraw/zinc/53/36/57/1217533657.db2.gz VBADGBSJPSCCFS-JTTJXQCZSA-N 2 1 345.491 2.335 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000963338329 1217533661 /nfs/dbraw/zinc/53/36/61/1217533661.db2.gz VBADGBSJPSCCFS-JTTJXQCZSA-N 2 1 345.491 2.335 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000963338329 1217533665 /nfs/dbraw/zinc/53/36/65/1217533665.db2.gz VBADGBSJPSCCFS-JTTJXQCZSA-N 2 1 345.491 2.335 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968476010 1221335088 /nfs/dbraw/zinc/33/50/88/1221335088.db2.gz KUEIRHGDBPYFEE-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968476010 1221335090 /nfs/dbraw/zinc/33/50/90/1221335090.db2.gz KUEIRHGDBPYFEE-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680642 1221487017 /nfs/dbraw/zinc/48/70/17/1221487017.db2.gz CEJBLVXSVMGUPZ-APWZRJJASA-N 2 1 327.472 2.212 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001007520233 1222274498 /nfs/dbraw/zinc/27/44/98/1222274498.db2.gz ZLGNLMSZVXZGFI-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533122 1222911103 /nfs/dbraw/zinc/91/11/03/1222911103.db2.gz JZTDZTGBDNGKTG-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533122 1222911106 /nfs/dbraw/zinc/91/11/06/1222911106.db2.gz JZTDZTGBDNGKTG-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001020251550 1229583650 /nfs/dbraw/zinc/58/36/50/1229583650.db2.gz SORTWFXMKYFNCJ-MUGJNUQGSA-N 2 1 339.483 2.472 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001020251550 1229583655 /nfs/dbraw/zinc/58/36/55/1229583655.db2.gz SORTWFXMKYFNCJ-MUGJNUQGSA-N 2 1 339.483 2.472 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039204828 1230431842 /nfs/dbraw/zinc/43/18/42/1230431842.db2.gz FFQRVCNUASIYMC-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039204828 1230431844 /nfs/dbraw/zinc/43/18/44/1230431844.db2.gz FFQRVCNUASIYMC-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039204828 1230431845 /nfs/dbraw/zinc/43/18/45/1230431845.db2.gz FFQRVCNUASIYMC-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039299995 1230516188 /nfs/dbraw/zinc/51/61/88/1230516188.db2.gz QJAQZLRKIKEYPJ-ALOPSCKCSA-N 2 1 328.460 2.141 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001039437723 1230610163 /nfs/dbraw/zinc/61/01/63/1230610163.db2.gz VNVUGYOCVJMVJT-KURKYZTESA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001039437723 1230610166 /nfs/dbraw/zinc/61/01/66/1230610166.db2.gz VNVUGYOCVJMVJT-KURKYZTESA-N 2 1 342.487 2.395 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447625 1230615714 /nfs/dbraw/zinc/61/57/14/1230615714.db2.gz VUYHSCMDIPFCET-MSOLQXFVSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447625 1230615716 /nfs/dbraw/zinc/61/57/16/1230615716.db2.gz VUYHSCMDIPFCET-MSOLQXFVSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040272906 1231144261 /nfs/dbraw/zinc/14/42/61/1231144261.db2.gz ACIUHBUVTBJLLV-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001040277017 1231148351 /nfs/dbraw/zinc/14/83/51/1231148351.db2.gz TUNOWPNAFGUTOO-FQEVSTJZSA-N 2 1 336.439 2.204 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC)C3)CC1 ZINC001040542426 1231284031 /nfs/dbraw/zinc/28/40/31/1231284031.db2.gz IFWDWMSZJNGIHU-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)CC1 ZINC001040819394 1231379088 /nfs/dbraw/zinc/37/90/88/1231379088.db2.gz FNSXETAYQKNGBC-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356829 1231518010 /nfs/dbraw/zinc/51/80/10/1231518010.db2.gz BMCXJQMKXFSKRU-RDJZCZTQSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785188 1231693752 /nfs/dbraw/zinc/69/37/52/1231693752.db2.gz CFGJHQNWTGIRDI-DOTOQJQBSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785188 1231693753 /nfs/dbraw/zinc/69/37/53/1231693753.db2.gz CFGJHQNWTGIRDI-DOTOQJQBSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785188 1231693754 /nfs/dbraw/zinc/69/37/54/1231693754.db2.gz CFGJHQNWTGIRDI-DOTOQJQBSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785188 1231693755 /nfs/dbraw/zinc/69/37/55/1231693755.db2.gz CFGJHQNWTGIRDI-DOTOQJQBSA-N 2 1 325.884 2.005 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847165 1231729200 /nfs/dbraw/zinc/72/92/00/1231729200.db2.gz KDVUBDZTBHKXTN-ICSRJNTNSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847165 1231729203 /nfs/dbraw/zinc/72/92/03/1231729203.db2.gz KDVUBDZTBHKXTN-ICSRJNTNSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042369345 1232051090 /nfs/dbraw/zinc/05/10/90/1232051090.db2.gz WTSXGJRNHPKZIG-LPHOPBHVSA-N 2 1 327.472 2.471 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001044684892 1233175985 /nfs/dbraw/zinc/17/59/85/1233175985.db2.gz LWOCYJBVALJAJR-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC001045070628 1233483673 /nfs/dbraw/zinc/48/36/73/1233483673.db2.gz OKHHZBDXJBGJNI-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001045092846 1233497438 /nfs/dbraw/zinc/49/74/38/1233497438.db2.gz GUNUMWNQJYDBET-YOEHRIQHSA-N 2 1 346.500 2.185 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001045385385 1233710846 /nfs/dbraw/zinc/71/08/46/1233710846.db2.gz MTWJOUVMUYAWQK-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001045947594 1234209896 /nfs/dbraw/zinc/20/98/96/1234209896.db2.gz MVVGBCQIZYDDGK-FQEVSTJZSA-N 2 1 343.515 2.200 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985810 1234281377 /nfs/dbraw/zinc/28/13/77/1234281377.db2.gz CRBICHQOAHCSMM-HXUWFJFHSA-N 2 1 331.504 2.200 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045986673 1234282616 /nfs/dbraw/zinc/28/26/16/1234282616.db2.gz XZKQNZOSVNWMRT-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986673 1234282621 /nfs/dbraw/zinc/28/26/21/1234282621.db2.gz XZKQNZOSVNWMRT-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986673 1234282622 /nfs/dbraw/zinc/28/26/22/1234282622.db2.gz XZKQNZOSVNWMRT-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046317949 1234662753 /nfs/dbraw/zinc/66/27/53/1234662753.db2.gz JITSMIYMQUCQPO-YLJYHZDGSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046317949 1234662756 /nfs/dbraw/zinc/66/27/56/1234662756.db2.gz JITSMIYMQUCQPO-YLJYHZDGSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046317949 1234662758 /nfs/dbraw/zinc/66/27/58/1234662758.db2.gz JITSMIYMQUCQPO-YLJYHZDGSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046625336 1235008280 /nfs/dbraw/zinc/00/82/80/1235008280.db2.gz HWQAQVOHXNEWNJ-GOSISDBHSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046625336 1235008282 /nfs/dbraw/zinc/00/82/82/1235008282.db2.gz HWQAQVOHXNEWNJ-GOSISDBHSA-N 2 1 332.448 2.041 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)C2 ZINC001048530893 1237886357 /nfs/dbraw/zinc/88/63/57/1237886357.db2.gz DLFCZEHDGLAIPR-ACHSLPGTSA-N 2 1 345.512 2.416 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001000188645 1240043710 /nfs/dbraw/zinc/04/37/10/1240043710.db2.gz BRYGJKZNYXCBAX-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560553 1241419690 /nfs/dbraw/zinc/41/96/90/1241419690.db2.gz FCIKVOPRBVUELV-OALUTQOASA-N 2 1 336.439 2.345 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001049810556 1242267201 /nfs/dbraw/zinc/26/72/01/1242267201.db2.gz MDMKCJNEAFGGLK-QZTJIDSGSA-N 2 1 337.427 2.132 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001049810556 1242267208 /nfs/dbraw/zinc/26/72/08/1242267208.db2.gz MDMKCJNEAFGGLK-QZTJIDSGSA-N 2 1 337.427 2.132 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC(C)(C)C)CC1 ZINC001001493087 1242378717 /nfs/dbraw/zinc/37/87/17/1242378717.db2.gz WBARCDUQTWPIBF-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC(C)(C)C)CC1 ZINC001001493087 1242378728 /nfs/dbraw/zinc/37/87/28/1242378728.db2.gz WBARCDUQTWPIBF-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627262 1242589275 /nfs/dbraw/zinc/58/92/75/1242589275.db2.gz KWMXMPMFOXKPOB-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627262 1242589283 /nfs/dbraw/zinc/58/92/83/1242589283.db2.gz KWMXMPMFOXKPOB-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627262 1242589290 /nfs/dbraw/zinc/58/92/90/1242589290.db2.gz KWMXMPMFOXKPOB-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC=C(C)C)CC1 ZINC001049909344 1242655691 /nfs/dbraw/zinc/65/56/91/1242655691.db2.gz ADXJDIKONQSRJC-PMACEKPBSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC2CCC2)CC1 ZINC001049909417 1242656784 /nfs/dbraw/zinc/65/67/84/1242656784.db2.gz AXGQHWLZONKQLV-PMACEKPBSA-N 2 1 343.515 2.197 20 30 EEEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cccc2C1 ZINC001051300570 1245500315 /nfs/dbraw/zinc/50/03/15/1245500315.db2.gz XFXNGTCKNUIGKA-KXBFYZLASA-N 2 1 327.472 2.045 20 30 EEEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cccc2C1 ZINC001051300570 1245500322 /nfs/dbraw/zinc/50/03/22/1245500322.db2.gz XFXNGTCKNUIGKA-KXBFYZLASA-N 2 1 327.472 2.045 20 30 EEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cccc2C1 ZINC001051300570 1245500329 /nfs/dbraw/zinc/50/03/29/1245500329.db2.gz XFXNGTCKNUIGKA-KXBFYZLASA-N 2 1 327.472 2.045 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053033792 1245727758 /nfs/dbraw/zinc/72/77/58/1245727758.db2.gz URNPWNJLEYQATN-MOPGFXCFSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053033792 1245727767 /nfs/dbraw/zinc/72/77/67/1245727767.db2.gz URNPWNJLEYQATN-MOPGFXCFSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001101574880 1245979024 /nfs/dbraw/zinc/97/90/24/1245979024.db2.gz HZUDLEVCUDDQNW-SJLPKXTDSA-N 2 1 333.520 2.062 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209331 1247723243 /nfs/dbraw/zinc/72/32/43/1247723243.db2.gz OWEZMUCRVFPEFH-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001072983390 1255546615 /nfs/dbraw/zinc/54/66/15/1255546615.db2.gz UZBJCKMESYJJRQ-IBGZPJMESA-N 2 1 337.483 2.309 20 30 EEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983390 1255546618 /nfs/dbraw/zinc/54/66/18/1255546618.db2.gz UZBJCKMESYJJRQ-IBGZPJMESA-N 2 1 337.483 2.309 20 30 EEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983390 1255546626 /nfs/dbraw/zinc/54/66/26/1255546626.db2.gz UZBJCKMESYJJRQ-IBGZPJMESA-N 2 1 337.483 2.309 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001098191549 1257619716 /nfs/dbraw/zinc/61/97/16/1257619716.db2.gz JWSOUOGTFJIDEP-YRXWBPOGSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001098191549 1257619723 /nfs/dbraw/zinc/61/97/23/1257619723.db2.gz JWSOUOGTFJIDEP-YRXWBPOGSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001098191549 1257619732 /nfs/dbraw/zinc/61/97/32/1257619732.db2.gz JWSOUOGTFJIDEP-YRXWBPOGSA-N 2 1 331.504 2.386 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519448 1258188506 /nfs/dbraw/zinc/18/85/06/1258188506.db2.gz HXPFNUZRZNCCAP-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099551794 1258200589 /nfs/dbraw/zinc/20/05/89/1258200589.db2.gz DEPOBXAGELOONT-NXOAAHMSSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551794 1258200594 /nfs/dbraw/zinc/20/05/94/1258200594.db2.gz DEPOBXAGELOONT-NXOAAHMSSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551794 1258200597 /nfs/dbraw/zinc/20/05/97/1258200597.db2.gz DEPOBXAGELOONT-NXOAAHMSSA-N 2 1 339.911 2.250 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185783671 1278780451 /nfs/dbraw/zinc/78/04/51/1278780451.db2.gz AULGTSWLAAUFHM-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001205483572 1280632001 /nfs/dbraw/zinc/63/20/01/1280632001.db2.gz JAILMWGWQSVNMQ-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001193601113 1282630628 /nfs/dbraw/zinc/63/06/28/1282630628.db2.gz SIGSJUPFOIERGD-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001193601113 1282630639 /nfs/dbraw/zinc/63/06/39/1282630639.db2.gz SIGSJUPFOIERGD-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001193601113 1282630656 /nfs/dbraw/zinc/63/06/56/1282630656.db2.gz SIGSJUPFOIERGD-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001197886010 1284869596 /nfs/dbraw/zinc/86/95/96/1284869596.db2.gz NPRXVBWZZQYEFX-UHFFFAOYSA-N 2 1 342.487 2.324 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001197886010 1284869605 /nfs/dbraw/zinc/86/96/05/1284869605.db2.gz NPRXVBWZZQYEFX-UHFFFAOYSA-N 2 1 342.487 2.324 20 30 EEEDMP C=CC[NH2+][C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)c1ccccc1OC ZINC001198776156 1285354976 /nfs/dbraw/zinc/35/49/76/1285354976.db2.gz OCJHXODKVFEJOD-INIZCTEOSA-N 2 1 333.476 2.358 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201558270 1289665754 /nfs/dbraw/zinc/66/57/54/1289665754.db2.gz NGOQLIMJVWXWLS-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001073455498 1297082820 /nfs/dbraw/zinc/08/28/20/1297082820.db2.gz JIJZQADHOHKOAI-UHFFFAOYSA-N 2 1 327.472 2.472 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001073821519 1297572445 /nfs/dbraw/zinc/57/24/45/1297572445.db2.gz LOOVSAWKSXZRGE-IBGZPJMESA-N 2 1 345.487 2.145 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463534 1298797474 /nfs/dbraw/zinc/79/74/74/1298797474.db2.gz WZJHTMSHJBMXSQ-YRXWBPOGSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCCCC=C)C[C@H]21 ZINC001221626299 1298966176 /nfs/dbraw/zinc/96/61/76/1298966176.db2.gz ZPLHIYUDKXUSKP-HSALFYBXSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCCCC=C)C[C@H]21 ZINC001221626299 1298966181 /nfs/dbraw/zinc/96/61/81/1298966181.db2.gz ZPLHIYUDKXUSKP-HSALFYBXSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCCCC=C)C[C@H]21 ZINC001221626299 1298966183 /nfs/dbraw/zinc/96/61/83/1298966183.db2.gz ZPLHIYUDKXUSKP-HSALFYBXSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCCCC=C)C[C@H]21 ZINC001221626299 1298966186 /nfs/dbraw/zinc/96/61/86/1298966186.db2.gz ZPLHIYUDKXUSKP-HSALFYBXSA-N 2 1 343.515 2.363 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001099521453 1299180643 /nfs/dbraw/zinc/18/06/43/1299180643.db2.gz RINTYYXTBIGHNK-XSLAGTTESA-N 2 1 331.504 2.073 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001102087417 1300273376 /nfs/dbraw/zinc/27/33/76/1300273376.db2.gz YPNBDXKDYLZOCK-MISYRCLQSA-N 2 1 341.499 2.062 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170725 1302377616 /nfs/dbraw/zinc/37/76/16/1302377616.db2.gz GJYIBTGTHVLQDQ-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170725 1302377627 /nfs/dbraw/zinc/37/76/27/1302377627.db2.gz GJYIBTGTHVLQDQ-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103494341 1303033132 /nfs/dbraw/zinc/03/31/32/1303033132.db2.gz XXKMYFSQFPMSJZ-QZTJIDSGSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103494341 1303033141 /nfs/dbraw/zinc/03/31/41/1303033141.db2.gz XXKMYFSQFPMSJZ-QZTJIDSGSA-N 2 1 344.503 2.494 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001230284852 1303141515 /nfs/dbraw/zinc/14/15/15/1303141515.db2.gz XDEOIHSXHVNDAR-RTBURBONSA-N 2 1 342.487 2.415 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230286289 1303142342 /nfs/dbraw/zinc/14/23/42/1303142342.db2.gz ILTLCRUQJFJBAI-QRVBRYPASA-N 2 1 327.472 2.330 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767045 1303442928 /nfs/dbraw/zinc/44/29/28/1303442928.db2.gz NBBRFGBOXKQHHD-IEBWSBKVSA-N 2 1 344.503 2.306 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767045 1303442930 /nfs/dbraw/zinc/44/29/30/1303442930.db2.gz NBBRFGBOXKQHHD-IEBWSBKVSA-N 2 1 344.503 2.306 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767045 1303442931 /nfs/dbraw/zinc/44/29/31/1303442931.db2.gz NBBRFGBOXKQHHD-IEBWSBKVSA-N 2 1 344.503 2.306 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111794698 1303897338 /nfs/dbraw/zinc/89/73/38/1303897338.db2.gz FSQKIDDVPMWPIU-LPHOPBHVSA-N 2 1 328.460 2.065 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC001231908726 1303944067 /nfs/dbraw/zinc/94/40/67/1303944067.db2.gz HDCHGUOJWADUHF-UHFFFAOYSA-N 2 1 339.487 2.355 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112190027 1304310882 /nfs/dbraw/zinc/31/08/82/1304310882.db2.gz HQFDBZVNJPRQBS-ZIAGYGMSSA-N 2 1 335.414 2.273 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115754053 1305733142 /nfs/dbraw/zinc/73/31/42/1305733142.db2.gz NRTHCBQHFBEQKC-UHFFFAOYSA-N 2 1 330.476 2.439 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246304641 1310276434 /nfs/dbraw/zinc/27/64/34/1310276434.db2.gz FWDFGUPXGIDSBJ-HOCLYGCPSA-N 2 1 349.431 2.342 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001149818212 1316055790 /nfs/dbraw/zinc/05/57/90/1316055790.db2.gz QLAPEZIYFQVZOE-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001149818212 1316055794 /nfs/dbraw/zinc/05/57/94/1316055794.db2.gz QLAPEZIYFQVZOE-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001149818212 1316055801 /nfs/dbraw/zinc/05/58/01/1316055801.db2.gz QLAPEZIYFQVZOE-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001154784880 1317310047 /nfs/dbraw/zinc/31/00/47/1317310047.db2.gz OCXKTTMQAXBDJT-QZTJIDSGSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154784880 1317310056 /nfs/dbraw/zinc/31/00/56/1317310056.db2.gz OCXKTTMQAXBDJT-QZTJIDSGSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154784880 1317310066 /nfs/dbraw/zinc/31/00/66/1317310066.db2.gz OCXKTTMQAXBDJT-QZTJIDSGSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOC[C@@H](O)CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001252469722 1317608868 /nfs/dbraw/zinc/60/88/68/1317608868.db2.gz ASQGYEQAYRUIMC-FQEVSTJZSA-N 2 1 330.472 2.073 20 30 EEEDMP C=CCOC[C@@H](O)C[NH+]1CCC(N2CCc3ccccc3C2)CC1 ZINC001252469722 1317608872 /nfs/dbraw/zinc/60/88/72/1317608872.db2.gz ASQGYEQAYRUIMC-FQEVSTJZSA-N 2 1 330.472 2.073 20 30 EEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001158067233 1318993136 /nfs/dbraw/zinc/99/31/36/1318993136.db2.gz YCXVSFMQBMXJON-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158067233 1318993138 /nfs/dbraw/zinc/99/31/38/1318993138.db2.gz YCXVSFMQBMXJON-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158067233 1318993140 /nfs/dbraw/zinc/99/31/40/1318993140.db2.gz YCXVSFMQBMXJON-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCCC)CC1 ZINC001158913802 1319504565 /nfs/dbraw/zinc/50/45/65/1319504565.db2.gz DQZGKQCDZDOGPH-LJQANCHMSA-N 2 1 333.520 2.445 20 30 EEEDMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001159837411 1320002076 /nfs/dbraw/zinc/00/20/76/1320002076.db2.gz CVPYCGFNFOHEDC-IBGZPJMESA-N 2 1 342.487 2.132 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001160209596 1320099894 /nfs/dbraw/zinc/09/98/94/1320099894.db2.gz RQBDTYJRIJIZCM-KSSFIOAISA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001160209596 1320099900 /nfs/dbraw/zinc/09/99/00/1320099900.db2.gz RQBDTYJRIJIZCM-KSSFIOAISA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205479382 1323154674 /nfs/dbraw/zinc/15/46/74/1323154674.db2.gz JWSKTULTLVRIKE-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205479382 1323154680 /nfs/dbraw/zinc/15/46/80/1323154680.db2.gz JWSKTULTLVRIKE-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001206057201 1323381229 /nfs/dbraw/zinc/38/12/29/1323381229.db2.gz QFEFYOGGZUYTEE-QGZVFWFLSA-N 2 1 330.476 2.158 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001208090869 1324310687 /nfs/dbraw/zinc/31/06/87/1324310687.db2.gz YGKKHQNCJPOFHW-YJBOKZPZSA-N 2 1 345.491 2.337 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001208090869 1324310708 /nfs/dbraw/zinc/31/07/08/1324310708.db2.gz YGKKHQNCJPOFHW-YJBOKZPZSA-N 2 1 345.491 2.337 20 30 EEEDMP C=CCN(CC[NH+]1CCN(c2cc[nH+]cc2C)CC1)C(=O)OCC ZINC001209024480 1324766712 /nfs/dbraw/zinc/76/67/12/1324766712.db2.gz SIKBVMAMKUXDKG-UHFFFAOYSA-N 2 1 332.448 2.157 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209166713 1324829314 /nfs/dbraw/zinc/82/93/14/1324829314.db2.gz KVOZBCLLXQCMPT-IAGOWNOFSA-N 2 1 348.491 2.036 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209166713 1324829319 /nfs/dbraw/zinc/82/93/19/1324829319.db2.gz KVOZBCLLXQCMPT-IAGOWNOFSA-N 2 1 348.491 2.036 20 30 EEEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001209728729 1325022799 /nfs/dbraw/zinc/02/27/99/1325022799.db2.gz UMZREKHHGBYHJL-UHFFFAOYSA-N 2 1 344.459 2.495 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001326714009 1334148440 /nfs/dbraw/zinc/14/84/40/1334148440.db2.gz SCUUMHCTWQNIGV-DLBZAZTESA-N 2 1 330.476 2.391 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001100459939 1338396744 /nfs/dbraw/zinc/39/67/44/1338396744.db2.gz GUCYXGBUQWMBBJ-UHFFFAOYSA-N 2 1 342.487 2.273 20 30 EEEDMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]([NH3+])CCCCC#N)sc2C1 ZINC001575697691 1343859214 /nfs/dbraw/zinc/85/92/14/1343859214.db2.gz GRCDPBGXMBNSQK-GFCCVEGCSA-N 2 1 335.477 2.259 20 30 EEEDMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]([NH3+])CCCCC#N)sc2C1 ZINC001575697691 1343859216 /nfs/dbraw/zinc/85/92/16/1343859216.db2.gz GRCDPBGXMBNSQK-GFCCVEGCSA-N 2 1 335.477 2.259 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001673103180 1356646171 /nfs/dbraw/zinc/64/61/71/1356646171.db2.gz ZSZQJHJBCMZYGH-CRAIPNDOSA-N 2 1 345.491 2.337 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001673103180 1356646173 /nfs/dbraw/zinc/64/61/73/1356646173.db2.gz ZSZQJHJBCMZYGH-CRAIPNDOSA-N 2 1 345.491 2.337 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)cc1 ZINC001367518842 1374193644 /nfs/dbraw/zinc/19/36/44/1374193644.db2.gz OLHWNMFNYMYJJE-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001367518842 1374193645 /nfs/dbraw/zinc/19/36/45/1374193645.db2.gz OLHWNMFNYMYJJE-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001367518842 1374193646 /nfs/dbraw/zinc/19/36/46/1374193646.db2.gz OLHWNMFNYMYJJE-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001375780560 1378000484 /nfs/dbraw/zinc/00/04/84/1378000484.db2.gz KXXROKXYCUGUTM-SFHVURJKSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001378895451 1380245323 /nfs/dbraw/zinc/24/53/23/1380245323.db2.gz IQFMQORTNSHKPP-TZMCWYRMSA-N 2 1 346.313 2.063 20 30 EEEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001379416133 1380702072 /nfs/dbraw/zinc/70/20/72/1380702072.db2.gz KATNABMVILVFEI-CQSZACIVSA-N 2 1 348.466 2.270 20 30 EEEDMP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001390639869 1388713159 /nfs/dbraw/zinc/71/31/59/1388713159.db2.gz WNSIIBGWECAKAC-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001390639869 1388713163 /nfs/dbraw/zinc/71/31/63/1388713163.db2.gz WNSIIBGWECAKAC-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC001390639869 1388713166 /nfs/dbraw/zinc/71/31/66/1388713166.db2.gz WNSIIBGWECAKAC-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC001390639869 1388713170 /nfs/dbraw/zinc/71/31/70/1388713170.db2.gz WNSIIBGWECAKAC-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001382358826 1382085640 /nfs/dbraw/zinc/08/56/40/1382085640.db2.gz URIJCOMIVUPHLG-VQIMIIECSA-N 2 1 342.487 2.275 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1cccc(C)c1 ZINC001753083393 1406673669 /nfs/dbraw/zinc/67/36/69/1406673669.db2.gz CJLUYNABFPOROZ-IBGZPJMESA-N 2 1 327.472 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1cccc(C)c1 ZINC001753083393 1406673676 /nfs/dbraw/zinc/67/36/76/1406673676.db2.gz CJLUYNABFPOROZ-IBGZPJMESA-N 2 1 327.472 2.031 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cccc(C)c1 ZINC001753083393 1406673686 /nfs/dbraw/zinc/67/36/86/1406673686.db2.gz CJLUYNABFPOROZ-IBGZPJMESA-N 2 1 327.472 2.031 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cccc(C)c1 ZINC001753083393 1406673694 /nfs/dbraw/zinc/67/36/94/1406673694.db2.gz CJLUYNABFPOROZ-IBGZPJMESA-N 2 1 327.472 2.031 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]C/C=C/Cl)CC1 ZINC001753273770 1406728397 /nfs/dbraw/zinc/72/83/97/1406728397.db2.gz MCRHXNWRDRYDHC-IZVQQQLMSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]C/C=C/Cl)CC1 ZINC001753273770 1406728400 /nfs/dbraw/zinc/72/84/00/1406728400.db2.gz MCRHXNWRDRYDHC-IZVQQQLMSA-N 2 1 337.895 2.053 20 30 EEEDMP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001399939888 1395694154 /nfs/dbraw/zinc/69/41/54/1395694154.db2.gz IVSGDMRKTWYMLD-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001399939888 1395694156 /nfs/dbraw/zinc/69/41/56/1395694156.db2.gz IVSGDMRKTWYMLD-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cc(C#N)ccc1F ZINC001399939888 1395694159 /nfs/dbraw/zinc/69/41/59/1395694159.db2.gz IVSGDMRKTWYMLD-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cc(C#N)ccc1F ZINC001399939888 1395694162 /nfs/dbraw/zinc/69/41/62/1395694162.db2.gz IVSGDMRKTWYMLD-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001754313425 1406889516 /nfs/dbraw/zinc/88/95/16/1406889516.db2.gz VYEUCSMDJNFBNF-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001754313425 1406889521 /nfs/dbraw/zinc/88/95/21/1406889521.db2.gz VYEUCSMDJNFBNF-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001754313425 1406889530 /nfs/dbraw/zinc/88/95/30/1406889530.db2.gz VYEUCSMDJNFBNF-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001754313425 1406889538 /nfs/dbraw/zinc/88/95/38/1406889538.db2.gz VYEUCSMDJNFBNF-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001402680115 1398149209 /nfs/dbraw/zinc/14/92/09/1398149209.db2.gz JZPAFOVKYARNJW-MRXNPFEDSA-N 2 1 327.900 2.443 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001402680115 1398149213 /nfs/dbraw/zinc/14/92/13/1398149213.db2.gz JZPAFOVKYARNJW-MRXNPFEDSA-N 2 1 327.900 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC=C ZINC001754865668 1406970036 /nfs/dbraw/zinc/97/00/36/1406970036.db2.gz PAUYSKMZOBMJNS-FHWLQOOXSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC=C ZINC001754865668 1406970045 /nfs/dbraw/zinc/97/00/45/1406970045.db2.gz PAUYSKMZOBMJNS-FHWLQOOXSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC=C ZINC001754865668 1406970052 /nfs/dbraw/zinc/97/00/52/1406970052.db2.gz PAUYSKMZOBMJNS-FHWLQOOXSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC=C ZINC001754865668 1406970056 /nfs/dbraw/zinc/97/00/56/1406970056.db2.gz PAUYSKMZOBMJNS-FHWLQOOXSA-N 2 1 329.488 2.116 20 30 EEEDMP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001755516993 1407572191 /nfs/dbraw/zinc/57/21/91/1407572191.db2.gz RAPIURWZJKIMON-IRXDYDNUSA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001755552360 1407625630 /nfs/dbraw/zinc/62/56/30/1407625630.db2.gz ZNZULXSEAZUFJT-FUHWJXTLSA-N 2 1 332.492 2.451 20 30 EEEDMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC001772051601 1410026479 /nfs/dbraw/zinc/02/64/79/1410026479.db2.gz QZAZQMHHICPAQW-ROUUACIJSA-N 2 1 345.487 2.202 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1CC ZINC001087845131 782361783 /nfs/dbraw/zinc/36/17/83/782361783.db2.gz IIDSCRXJKJYFQK-DLBZAZTESA-N 2 1 331.460 2.337 20 30 EEEDMP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168030316 782401057 /nfs/dbraw/zinc/40/10/57/782401057.db2.gz NGTJNKNAASUULB-MOPGFXCFSA-N 2 1 340.471 2.171 20 30 EEEDMP C=CCOCC[NH2+]CC1(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001167240187 757553668 /nfs/dbraw/zinc/55/36/68/757553668.db2.gz DYOCMJHFHPHZDK-UHFFFAOYSA-N 2 1 339.524 2.043 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC=C)C1 ZINC001104305938 758303515 /nfs/dbraw/zinc/30/35/15/758303515.db2.gz AVFJNBNSQPAKMY-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC=C)C1 ZINC001104305938 758303525 /nfs/dbraw/zinc/30/35/25/758303525.db2.gz AVFJNBNSQPAKMY-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001075454327 760712224 /nfs/dbraw/zinc/71/22/24/760712224.db2.gz QSBKCWBXLMHLDT-IEBWSBKVSA-N 2 1 333.520 2.301 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104680739 764730666 /nfs/dbraw/zinc/73/06/66/764730666.db2.gz WTAMQDLDVKDVFH-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104680740 764730866 /nfs/dbraw/zinc/73/08/66/764730866.db2.gz WTAMQDLDVKDVFH-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948449331 782578594 /nfs/dbraw/zinc/57/85/94/782578594.db2.gz QLJTVXHVKVKZGX-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948449331 782578602 /nfs/dbraw/zinc/57/86/02/782578602.db2.gz QLJTVXHVKVKZGX-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948449331 782578576 /nfs/dbraw/zinc/57/85/76/782578576.db2.gz QLJTVXHVKVKZGX-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948449331 782578584 /nfs/dbraw/zinc/57/85/84/782578584.db2.gz QLJTVXHVKVKZGX-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530882 782633144 /nfs/dbraw/zinc/63/31/44/782633144.db2.gz XTNCBJMLOHRCRV-YLJYHZDGSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067762 768990960 /nfs/dbraw/zinc/99/09/60/768990960.db2.gz TXPTWEAYOUSSHP-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088130143 782951278 /nfs/dbraw/zinc/95/12/78/782951278.db2.gz YCYLQZLDWMZEJH-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088130143 782951282 /nfs/dbraw/zinc/95/12/82/782951282.db2.gz YCYLQZLDWMZEJH-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088130143 782951286 /nfs/dbraw/zinc/95/12/86/782951286.db2.gz YCYLQZLDWMZEJH-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942720488 783052156 /nfs/dbraw/zinc/05/21/56/783052156.db2.gz JLAQLTXEMKRMSY-WBVHZDCISA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942720488 783052158 /nfs/dbraw/zinc/05/21/58/783052158.db2.gz JLAQLTXEMKRMSY-WBVHZDCISA-N 2 1 346.475 2.287 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213142 783066818 /nfs/dbraw/zinc/06/68/18/783066818.db2.gz MATOMCNORXQHQX-HSALFYBXSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213142 783066820 /nfs/dbraw/zinc/06/68/20/783066820.db2.gz MATOMCNORXQHQX-HSALFYBXSA-N 2 1 339.483 2.093 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776891 783129092 /nfs/dbraw/zinc/12/90/92/783129092.db2.gz WIBCONILCFCTQU-HDICACEKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776891 783129100 /nfs/dbraw/zinc/12/91/00/783129100.db2.gz WIBCONILCFCTQU-HDICACEKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776891 783129106 /nfs/dbraw/zinc/12/91/06/783129106.db2.gz WIBCONILCFCTQU-HDICACEKSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2C1 ZINC000980248976 774160162 /nfs/dbraw/zinc/16/01/62/774160162.db2.gz XGYHEMFSFHSPKZ-SLFFLAALSA-N 2 1 339.483 2.212 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001171248513 790474348 /nfs/dbraw/zinc/47/43/48/790474348.db2.gz VZRNYFGRKXCFMA-ROUUACIJSA-N 2 1 349.523 2.044 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000981420719 777358893 /nfs/dbraw/zinc/35/88/93/777358893.db2.gz HRJUUPDSVQEWNV-IRXDYDNUSA-N 2 1 339.443 2.474 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851642 778035884 /nfs/dbraw/zinc/03/58/84/778035884.db2.gz XMPUDLYCDGKWTJ-RDGPPVDQSA-N 2 1 331.504 2.073 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981780637 778200955 /nfs/dbraw/zinc/20/09/55/778200955.db2.gz NZBQZPXLLNWZIE-KRWDZBQOSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981780637 778200958 /nfs/dbraw/zinc/20/09/58/778200958.db2.gz NZBQZPXLLNWZIE-KRWDZBQOSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052212 778998527 /nfs/dbraw/zinc/99/85/27/778998527.db2.gz DKFDBXKAWRSYKS-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052212 778998532 /nfs/dbraw/zinc/99/85/32/778998532.db2.gz DKFDBXKAWRSYKS-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052212 778998538 /nfs/dbraw/zinc/99/85/38/778998538.db2.gz DKFDBXKAWRSYKS-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860219 790871520 /nfs/dbraw/zinc/87/15/20/790871520.db2.gz ADIDCTHAUGJHIF-RVKKMQEKSA-N 2 1 325.472 2.354 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001088862498 790914622 /nfs/dbraw/zinc/91/46/22/790914622.db2.gz BRMPJCJTRPNLAG-ZBFHGGJFSA-N 2 1 332.448 2.039 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001088862498 790914634 /nfs/dbraw/zinc/91/46/34/790914634.db2.gz BRMPJCJTRPNLAG-ZBFHGGJFSA-N 2 1 332.448 2.039 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001035051963 783658364 /nfs/dbraw/zinc/65/83/64/783658364.db2.gz VCKSPKIKNGSVRO-HUUCEWRRSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471132 783825065 /nfs/dbraw/zinc/82/50/65/783825065.db2.gz HICQUFNLCZNFBW-LSDHHAIUSA-N 2 1 334.464 2.333 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574987 783887923 /nfs/dbraw/zinc/88/79/23/783887923.db2.gz NLYBNOCOKZPHMV-RTBURBONSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574987 783887926 /nfs/dbraw/zinc/88/79/26/783887926.db2.gz NLYBNOCOKZPHMV-RTBURBONSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948574987 783887930 /nfs/dbraw/zinc/88/79/30/783887930.db2.gz NLYBNOCOKZPHMV-RTBURBONSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035192533 784079726 /nfs/dbraw/zinc/07/97/26/784079726.db2.gz LQXCVFBCQKSNJY-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035192533 784079731 /nfs/dbraw/zinc/07/97/31/784079731.db2.gz LQXCVFBCQKSNJY-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035192533 784079734 /nfs/dbraw/zinc/07/97/34/784079734.db2.gz LQXCVFBCQKSNJY-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035237835 784157668 /nfs/dbraw/zinc/15/76/68/784157668.db2.gz WVKRFUGBNQUGBD-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035237835 784157673 /nfs/dbraw/zinc/15/76/73/784157673.db2.gz WVKRFUGBNQUGBD-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035237835 784157678 /nfs/dbraw/zinc/15/76/78/784157678.db2.gz WVKRFUGBNQUGBD-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035256568 784205723 /nfs/dbraw/zinc/20/57/23/784205723.db2.gz ITOXNUSWPUPEGF-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995802906 785691530 /nfs/dbraw/zinc/69/15/30/785691530.db2.gz PNEYACHHADDRNB-GJZGRUSLSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000996667147 787030242 /nfs/dbraw/zinc/03/02/42/787030242.db2.gz UDBIKQCWMFGHFD-OAHLLOKOSA-N 2 1 327.900 2.297 20 30 EEEDMP C[NH+](C)CCOc1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)cc1 ZINC000822723159 787355051 /nfs/dbraw/zinc/35/50/51/787355051.db2.gz RQYWTEAXKRAKPN-OAHLLOKOSA-N 2 1 329.404 2.371 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000996805366 787640768 /nfs/dbraw/zinc/64/07/68/787640768.db2.gz WIJHHQXBIAWNJS-UHFFFAOYSA-N 2 1 336.867 2.095 20 30 EEEDMP CC(C)(C)[NH+]=C(NCc1ccccc1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000912499555 788210774 /nfs/dbraw/zinc/21/07/74/788210774.db2.gz QVSRWLOARZUUOX-QZTJIDSGSA-N 2 1 344.503 2.384 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000996993249 788376999 /nfs/dbraw/zinc/37/69/99/788376999.db2.gz CAGQFMAVBVEGBG-AWEZNQCLSA-N 2 1 346.500 2.185 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991474953 789023323 /nfs/dbraw/zinc/02/33/23/789023323.db2.gz ROFDSONWANNFGE-UYAOXDASSA-N 2 1 336.439 2.393 20 30 EEEDMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000997188158 789386966 /nfs/dbraw/zinc/38/69/66/789386966.db2.gz YTIWSCRVZZQKHU-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c(OC)c1 ZINC000923370455 789447163 /nfs/dbraw/zinc/44/71/63/789447163.db2.gz OUYXWIKGYGZXGY-MXHNKVEKSA-N 2 1 348.487 2.140 20 30 EEEDMP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707175 791441964 /nfs/dbraw/zinc/44/19/64/791441964.db2.gz OFVKKAXWIOIJTI-ROUUACIJSA-N 2 1 347.503 2.194 20 30 EEEDMP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707175 791441969 /nfs/dbraw/zinc/44/19/69/791441969.db2.gz OFVKKAXWIOIJTI-ROUUACIJSA-N 2 1 347.503 2.194 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCCCCC)C3)CC1 ZINC001148827877 792703784 /nfs/dbraw/zinc/70/37/84/792703784.db2.gz PPXOYKAJVSDIAP-UHFFFAOYSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992156446 792953503 /nfs/dbraw/zinc/95/35/03/792953503.db2.gz WGCWGPJPZUTVSB-DOTOQJQBSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992156446 792953508 /nfs/dbraw/zinc/95/35/08/792953508.db2.gz WGCWGPJPZUTVSB-DOTOQJQBSA-N 2 1 325.884 2.194 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+]4CCCC4)on3)CCC[C@@H]12 ZINC000992166954 793015481 /nfs/dbraw/zinc/01/54/81/793015481.db2.gz JUIFECXVLARFFT-MJGOQNOKSA-N 2 1 344.459 2.183 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+]4CCCC4)on3)CCC[C@@H]12 ZINC000992166954 793015494 /nfs/dbraw/zinc/01/54/94/793015494.db2.gz JUIFECXVLARFFT-MJGOQNOKSA-N 2 1 344.459 2.183 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)c3cc(C[NH+]4CCCC4)on3)CCC[C@H]12 ZINC000992166956 793015780 /nfs/dbraw/zinc/01/57/80/793015780.db2.gz JUIFECXVLARFFT-PKOBYXMFSA-N 2 1 344.459 2.183 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(C[NH+]4CCCC4)on3)CCC[C@H]12 ZINC000992166956 793015790 /nfs/dbraw/zinc/01/57/90/793015790.db2.gz JUIFECXVLARFFT-PKOBYXMFSA-N 2 1 344.459 2.183 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001091860845 793362066 /nfs/dbraw/zinc/36/20/66/793362066.db2.gz LHAGFZCBIBSJJL-UZLBHIALSA-N 2 1 342.487 2.118 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001091860845 793362072 /nfs/dbraw/zinc/36/20/72/793362072.db2.gz LHAGFZCBIBSJJL-UZLBHIALSA-N 2 1 342.487 2.118 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC2(CCOCC2)C1 ZINC001089939409 793764365 /nfs/dbraw/zinc/76/43/65/793764365.db2.gz PCUGHSVBBJKMQU-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC2(CCOCC2)C1 ZINC001089939409 793764370 /nfs/dbraw/zinc/76/43/70/793764370.db2.gz PCUGHSVBBJKMQU-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC2(CCOCC2)C1 ZINC001089939409 793764378 /nfs/dbraw/zinc/76/43/78/793764378.db2.gz PCUGHSVBBJKMQU-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992512494 794463954 /nfs/dbraw/zinc/46/39/54/794463954.db2.gz STRVBZQAWXECJM-AZUAARDMSA-N 2 1 325.456 2.108 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccccc1F ZINC001079302753 794541392 /nfs/dbraw/zinc/54/13/92/794541392.db2.gz ICDBNKNQEYXLJB-FUHWJXTLSA-N 2 1 342.418 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCCCC)[C@H](C)C1 ZINC001106266592 795312618 /nfs/dbraw/zinc/31/26/18/795312618.db2.gz SBEXUTSXLLGOBD-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCCCC)[C@H](C)C1 ZINC001106266592 795312623 /nfs/dbraw/zinc/31/26/23/795312623.db2.gz SBEXUTSXLLGOBD-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848614 795317998 /nfs/dbraw/zinc/31/79/98/795317998.db2.gz DJMYOXHZFXYYMZ-VNQPRFMTSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079848614 795318006 /nfs/dbraw/zinc/31/80/06/795318006.db2.gz DJMYOXHZFXYYMZ-VNQPRFMTSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079848614 795318012 /nfs/dbraw/zinc/31/80/12/795318012.db2.gz DJMYOXHZFXYYMZ-VNQPRFMTSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079848614 795318018 /nfs/dbraw/zinc/31/80/18/795318018.db2.gz DJMYOXHZFXYYMZ-VNQPRFMTSA-N 2 1 327.900 2.438 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036841661 795423179 /nfs/dbraw/zinc/42/31/79/795423179.db2.gz BIHQQERADVXJNG-VQTJNVASSA-N 2 1 339.483 2.308 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001108006821 795485196 /nfs/dbraw/zinc/48/51/96/795485196.db2.gz DROLMNMANGLNON-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108006821 795485199 /nfs/dbraw/zinc/48/51/99/795485199.db2.gz DROLMNMANGLNON-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001094380060 796188949 /nfs/dbraw/zinc/18/89/49/796188949.db2.gz KXVBOHIUAAUSLZ-BFYDXBDKSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380060 796188955 /nfs/dbraw/zinc/18/89/55/796188955.db2.gz KXVBOHIUAAUSLZ-BFYDXBDKSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380060 796188960 /nfs/dbraw/zinc/18/89/60/796188960.db2.gz KXVBOHIUAAUSLZ-BFYDXBDKSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C/C=C/Cl)C2)CC1 ZINC001036904548 796447636 /nfs/dbraw/zinc/44/76/36/796447636.db2.gz UAUWWYGGPOHBJX-IINIBRLJSA-N 2 1 349.906 2.007 20 30 EEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171826745 796740834 /nfs/dbraw/zinc/74/08/34/796740834.db2.gz WBTUWUXSAWTRDT-MRXNPFEDSA-N 2 1 330.476 2.050 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799574 796912311 /nfs/dbraw/zinc/91/23/11/796912311.db2.gz VWFMWMLTDKPQJV-RCCFBDPRSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799574 796912314 /nfs/dbraw/zinc/91/23/14/796912314.db2.gz VWFMWMLTDKPQJV-RCCFBDPRSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799574 796912317 /nfs/dbraw/zinc/91/23/17/796912317.db2.gz VWFMWMLTDKPQJV-RCCFBDPRSA-N 2 1 337.508 2.031 20 30 EEEDMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H](C)CCCC#N)CCC2 ZINC001172493765 797005568 /nfs/dbraw/zinc/00/55/68/797005568.db2.gz CQFXASMPZRWGIG-INIZCTEOSA-N 2 1 345.491 2.372 20 30 EEEDMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+]([C@@H](C)CCCC#N)CCC2 ZINC001172493765 797005570 /nfs/dbraw/zinc/00/55/70/797005570.db2.gz CQFXASMPZRWGIG-INIZCTEOSA-N 2 1 345.491 2.372 20 30 EEEDMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+]([C@@H](C)CCCC#N)CCC2 ZINC001172493765 797005576 /nfs/dbraw/zinc/00/55/76/797005576.db2.gz CQFXASMPZRWGIG-INIZCTEOSA-N 2 1 345.491 2.372 20 30 EEEDMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H](C)CCCC#N)CCC2 ZINC001172493765 797005580 /nfs/dbraw/zinc/00/55/80/797005580.db2.gz CQFXASMPZRWGIG-INIZCTEOSA-N 2 1 345.491 2.372 20 30 EEEDMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H](C)CCCC#N)CCC2 ZINC001172493765 797005590 /nfs/dbraw/zinc/00/55/90/797005590.db2.gz CQFXASMPZRWGIG-INIZCTEOSA-N 2 1 345.491 2.372 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001001592163 797044957 /nfs/dbraw/zinc/04/49/57/797044957.db2.gz XSRQZUQNWRKWMT-UHFFFAOYSA-N 2 1 325.884 2.196 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1C#N ZINC001172976352 797178747 /nfs/dbraw/zinc/17/87/47/797178747.db2.gz OMWIARQGZLAMNJ-WBVHZDCISA-N 2 1 348.491 2.494 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994119528 797301967 /nfs/dbraw/zinc/30/19/67/797301967.db2.gz XCCCNULHKQELGW-QAPCUYQASA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994119528 797301972 /nfs/dbraw/zinc/30/19/72/797301972.db2.gz XCCCNULHKQELGW-QAPCUYQASA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174913979 797929525 /nfs/dbraw/zinc/92/95/25/797929525.db2.gz VRHNASWMJXMTJZ-MSOLQXFVSA-N 2 1 339.524 2.326 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174913979 797929530 /nfs/dbraw/zinc/92/95/30/797929530.db2.gz VRHNASWMJXMTJZ-MSOLQXFVSA-N 2 1 339.524 2.326 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCNc2cccc(C)[nH+]2)CC1 ZINC000917098349 798075916 /nfs/dbraw/zinc/07/59/16/798075916.db2.gz VGHZVJHVMAVNAB-UHFFFAOYSA-N 2 1 331.464 2.142 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)[C@H]2C)CC1 ZINC000994501175 798107019 /nfs/dbraw/zinc/10/70/19/798107019.db2.gz SEPPHIMQSKNYNR-QFBILLFUSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603836 798304147 /nfs/dbraw/zinc/30/41/47/798304147.db2.gz NHZGAOLXHGNBCP-YZGWKJHDSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603836 798304154 /nfs/dbraw/zinc/30/41/54/798304154.db2.gz NHZGAOLXHGNBCP-YZGWKJHDSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603836 798304159 /nfs/dbraw/zinc/30/41/59/798304159.db2.gz NHZGAOLXHGNBCP-YZGWKJHDSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603836 798304165 /nfs/dbraw/zinc/30/41/65/798304165.db2.gz NHZGAOLXHGNBCP-YZGWKJHDSA-N 2 1 343.515 2.340 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001084613639 798314667 /nfs/dbraw/zinc/31/46/67/798314667.db2.gz OEFIDWSDOGNDFW-ZHALLVOQSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001084613639 798314673 /nfs/dbraw/zinc/31/46/73/798314673.db2.gz OEFIDWSDOGNDFW-ZHALLVOQSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001212453041 798370284 /nfs/dbraw/zinc/37/02/84/798370284.db2.gz OXQYJFAFDDTGEN-RCCFBDPRSA-N 2 1 349.519 2.033 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176986408 798675038 /nfs/dbraw/zinc/67/50/38/798675038.db2.gz NHEMPWDKYJXDOX-SFHVURJKSA-N 2 1 328.460 2.029 20 30 EEEDMP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001177016316 798696463 /nfs/dbraw/zinc/69/64/63/798696463.db2.gz JHMRPLVJFWZACF-NRFANRHFSA-N 2 1 349.478 2.437 20 30 EEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001179585003 800016793 /nfs/dbraw/zinc/01/67/93/800016793.db2.gz ABWWEYORJCLIKK-QGZVFWFLSA-N 2 1 330.476 2.043 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001184609043 802095381 /nfs/dbraw/zinc/09/53/81/802095381.db2.gz IRBRDDYONKNWEJ-QGZVFWFLSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001184702130 802137379 /nfs/dbraw/zinc/13/73/79/802137379.db2.gz UFRYVAUSJLOBBC-JKSUJKDBSA-N 2 1 348.491 2.390 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001108074089 802145167 /nfs/dbraw/zinc/14/51/67/802145167.db2.gz BLZCGQAQFWMJOW-IBGZPJMESA-N 2 1 342.443 2.121 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001086119356 802215783 /nfs/dbraw/zinc/21/57/83/802215783.db2.gz KPGCEONHOMRXFX-QXSJWSMHSA-N 2 1 325.884 2.240 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623877 802291631 /nfs/dbraw/zinc/29/16/31/802291631.db2.gz RTFPMAAPSYQNMD-IXDOHACOSA-N 2 1 339.911 2.250 20 30 EEEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185234985 802435919 /nfs/dbraw/zinc/43/59/19/802435919.db2.gz KRXICHIZTXAYFB-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004617522 802493902 /nfs/dbraw/zinc/49/39/02/802493902.db2.gz RBKJHUKTVNFNFS-SFHVURJKSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004617522 802493908 /nfs/dbraw/zinc/49/39/08/802493908.db2.gz RBKJHUKTVNFNFS-SFHVURJKSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109359285 805358181 /nfs/dbraw/zinc/35/81/81/805358181.db2.gz FPGVLXJGHCAMKZ-NCOADZHNSA-N 2 1 325.472 2.354 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001130710757 811958780 /nfs/dbraw/zinc/95/87/80/811958780.db2.gz CYQIMWJSGZIYKH-IBGZPJMESA-N 2 1 345.462 2.003 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCC2)C1 ZINC001440339832 1093486906 /nfs/dbraw/zinc/48/69/06/1093486906.db2.gz NZBAZDYIRKJUTL-CQSZACIVSA-N 2 1 346.500 2.090 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001440599682 1093864545 /nfs/dbraw/zinc/86/45/45/1093864545.db2.gz QEPHBBJTPDYSSF-LPHOPBHVSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC001448986889 1093989263 /nfs/dbraw/zinc/98/92/63/1093989263.db2.gz XFAGSTGEXYHLFQ-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001495495226 1101204503 /nfs/dbraw/zinc/20/45/03/1101204503.db2.gz LZMUBJHONCSBJB-CQSZACIVSA-N 2 1 335.879 2.487 20 30 EEEDMP CN(CCC[NH+](C)Cc1ccccc1C#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001447342080 1102481013 /nfs/dbraw/zinc/48/10/13/1102481013.db2.gz NTNDSQZDJQRCEJ-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)[C@H]1CC ZINC001087630533 781976413 /nfs/dbraw/zinc/97/64/13/781976413.db2.gz NIEVXBRFPFQLQE-UWWQBHOKSA-N 2 1 330.476 2.368 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000375901315 167222578 /nfs/dbraw/zinc/22/25/78/167222578.db2.gz BDRZAVJMLIXELX-GOSISDBHSA-N 2 1 330.451 2.298 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000375901315 167222581 /nfs/dbraw/zinc/22/25/81/167222581.db2.gz BDRZAVJMLIXELX-GOSISDBHSA-N 2 1 330.451 2.298 20 30 EEEDMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000351503597 465190366 /nfs/dbraw/zinc/19/03/66/465190366.db2.gz SBWQMZPUUQUVSQ-UHFFFAOYSA-N 2 1 331.460 2.306 20 30 EEEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1C1CC1)N[C@H]1CCOc2ccccc21 ZINC000262849908 464049660 /nfs/dbraw/zinc/04/96/60/464049660.db2.gz SFVZUOFWJHMAAU-WBVHZDCISA-N 2 1 328.460 2.431 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000181338855 464474995 /nfs/dbraw/zinc/47/49/95/464474995.db2.gz WCTWUYIOHVBDLH-QGZVFWFLSA-N 2 1 344.503 2.457 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(C(F)(F)F)cs1 ZINC000267391218 464930344 /nfs/dbraw/zinc/93/03/44/464930344.db2.gz CVONZUXVLAWVTB-VIFPVBQESA-N 2 1 335.399 2.051 20 30 EEEDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCc2nccn2C1 ZINC000329912861 465472877 /nfs/dbraw/zinc/47/28/77/465472877.db2.gz WZCRUGSJTGMGMN-DLBZAZTESA-N 2 1 347.507 2.460 20 30 EEEDMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329912861 465472880 /nfs/dbraw/zinc/47/28/80/465472880.db2.gz WZCRUGSJTGMGMN-DLBZAZTESA-N 2 1 347.507 2.460 20 30 EEEDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329912861 465472890 /nfs/dbraw/zinc/47/28/90/465472890.db2.gz WZCRUGSJTGMGMN-DLBZAZTESA-N 2 1 347.507 2.460 20 30 EEEDMP C=C(C)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cnn(C(C)C)c1 ZINC000352904200 465567484 /nfs/dbraw/zinc/56/74/84/465567484.db2.gz TYPWEPVONPPEIC-UHFFFAOYSA-N 2 1 347.507 2.006 20 30 EEEDMP C=C(C)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cnn(C(C)C)c1 ZINC000352904200 465567493 /nfs/dbraw/zinc/56/74/93/465567493.db2.gz TYPWEPVONPPEIC-UHFFFAOYSA-N 2 1 347.507 2.006 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330338279 465619929 /nfs/dbraw/zinc/61/99/29/465619929.db2.gz VEMMJQQQKODYQK-CABCVRRESA-N 2 1 342.447 2.154 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330338279 465619939 /nfs/dbraw/zinc/61/99/39/465619939.db2.gz VEMMJQQQKODYQK-CABCVRRESA-N 2 1 342.447 2.154 20 30 EEEDMP C[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000357450578 466049146 /nfs/dbraw/zinc/04/91/46/466049146.db2.gz FGUXUWPRXVKJBO-AWEZNQCLSA-N 2 1 343.431 2.071 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424152071 466991584 /nfs/dbraw/zinc/99/15/84/466991584.db2.gz IBKZRIQVUNICJG-NXHRZFHOSA-N 2 1 328.460 2.177 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(OCC)cc2)CC1 ZINC000518517830 468118596 /nfs/dbraw/zinc/11/85/96/468118596.db2.gz PRPKHWIDLCGHFB-KRWDZBQOSA-N 2 1 334.460 2.065 20 30 EEEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600718259 468632278 /nfs/dbraw/zinc/63/22/78/468632278.db2.gz WOHDEMLWXMSEHG-PKOBYXMFSA-N 2 1 345.487 2.400 20 30 EEEDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602511377 469344630 /nfs/dbraw/zinc/34/46/30/469344630.db2.gz QVWMZNAXTHABTQ-SFHVURJKSA-N 2 1 336.524 2.093 20 30 EEEDMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000602527049 469350631 /nfs/dbraw/zinc/35/06/31/469350631.db2.gz IUHZOZZWEZZJRA-RTBURBONSA-N 2 1 342.487 2.377 20 30 EEEDMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000602527049 469350634 /nfs/dbraw/zinc/35/06/34/469350634.db2.gz IUHZOZZWEZZJRA-RTBURBONSA-N 2 1 342.487 2.377 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Br)cs1 ZINC000104174011 529101647 /nfs/dbraw/zinc/10/16/47/529101647.db2.gz KIRDHFPNXCODBL-NSHDSACASA-N 2 1 345.310 2.399 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000771414764 577211647 /nfs/dbraw/zinc/21/16/47/577211647.db2.gz VALRQMPQZCQPQA-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000771414764 577211648 /nfs/dbraw/zinc/21/16/48/577211648.db2.gz VALRQMPQZCQPQA-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](CC)CC2CC2)CC1 ZINC000771414764 577211649 /nfs/dbraw/zinc/21/16/49/577211649.db2.gz VALRQMPQZCQPQA-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](CC)CC2CC2)CC1 ZINC000771414764 577211650 /nfs/dbraw/zinc/21/16/50/577211650.db2.gz VALRQMPQZCQPQA-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(=C)C)CC1 ZINC000969155529 674643096 /nfs/dbraw/zinc/64/30/96/674643096.db2.gz BEMMLFJFVWXMAV-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000969864591 675265826 /nfs/dbraw/zinc/26/58/26/675265826.db2.gz DQXREWFENVWJDP-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000969864591 675265827 /nfs/dbraw/zinc/26/58/27/675265827.db2.gz DQXREWFENVWJDP-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039174001 675877070 /nfs/dbraw/zinc/87/70/70/675877070.db2.gz KMFMIIYVIQCVMK-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174001 675877072 /nfs/dbraw/zinc/87/70/72/675877072.db2.gz KMFMIIYVIQCVMK-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174001 675877075 /nfs/dbraw/zinc/87/70/75/675877075.db2.gz KMFMIIYVIQCVMK-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039242869 676256537 /nfs/dbraw/zinc/25/65/37/676256537.db2.gz CUQVAQQTLVJGQP-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001039249539 676266141 /nfs/dbraw/zinc/26/61/41/676266141.db2.gz BIVJHEWPXXCLTF-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001022201456 676727058 /nfs/dbraw/zinc/72/70/58/676727058.db2.gz IQTDGTFGAPNNCO-KSZLIROESA-N 2 1 349.438 2.069 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC000972330076 678550809 /nfs/dbraw/zinc/55/08/09/678550809.db2.gz DFTIKTBMIIYSOZ-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC000972330076 678550814 /nfs/dbraw/zinc/55/08/14/678550814.db2.gz DFTIKTBMIIYSOZ-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC000972330076 678550819 /nfs/dbraw/zinc/55/08/19/678550819.db2.gz DFTIKTBMIIYSOZ-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000972330076 678550822 /nfs/dbraw/zinc/55/08/22/678550822.db2.gz DFTIKTBMIIYSOZ-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC000972355616 678596596 /nfs/dbraw/zinc/59/65/96/678596596.db2.gz XLPGWTGTCBNIGE-AEFFLSMTSA-N 2 1 346.450 2.070 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC000972355616 678596598 /nfs/dbraw/zinc/59/65/98/678596598.db2.gz XLPGWTGTCBNIGE-AEFFLSMTSA-N 2 1 346.450 2.070 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001023367332 679275192 /nfs/dbraw/zinc/27/51/92/679275192.db2.gz YOGWYZOHTZBJFD-HOTGVXAUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023367332 679275194 /nfs/dbraw/zinc/27/51/94/679275194.db2.gz YOGWYZOHTZBJFD-HOTGVXAUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023367332 679275196 /nfs/dbraw/zinc/27/51/96/679275196.db2.gz YOGWYZOHTZBJFD-HOTGVXAUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023367332 679275197 /nfs/dbraw/zinc/27/51/97/679275197.db2.gz YOGWYZOHTZBJFD-HOTGVXAUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024517060 680022549 /nfs/dbraw/zinc/02/25/49/680022549.db2.gz QMBONULZAQPFCS-DLBZAZTESA-N 2 1 330.476 2.382 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261967926 682684747 /nfs/dbraw/zinc/68/47/47/682684747.db2.gz LYPBDNPIABUVBQ-HKUYNNGSSA-N 2 1 336.524 2.185 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527488 682956760 /nfs/dbraw/zinc/95/67/60/682956760.db2.gz HSKVUWDIFVLWQQ-PXNSSMCTSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCC=C)C2)CC1 ZINC001025630814 683168479 /nfs/dbraw/zinc/16/84/79/683168479.db2.gz WSLBGJWGIAFVOT-PKOBYXMFSA-N 2 1 331.504 2.124 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974660825 685170691 /nfs/dbraw/zinc/17/06/91/685170691.db2.gz DONFEMRWVMJCKY-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000974660825 685170696 /nfs/dbraw/zinc/17/06/96/685170696.db2.gz DONFEMRWVMJCKY-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974950184 685778579 /nfs/dbraw/zinc/77/85/79/685778579.db2.gz VRLTUXJWRFOSCD-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974950184 685778583 /nfs/dbraw/zinc/77/85/83/685778583.db2.gz VRLTUXJWRFOSCD-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974950184 685778589 /nfs/dbraw/zinc/77/85/89/685778589.db2.gz VRLTUXJWRFOSCD-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974950184 685778594 /nfs/dbraw/zinc/77/85/94/685778594.db2.gz VRLTUXJWRFOSCD-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956644 685807078 /nfs/dbraw/zinc/80/70/78/685807078.db2.gz QSQWEKGDUGXWGB-RDJZCZTQSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956644 685807084 /nfs/dbraw/zinc/80/70/84/685807084.db2.gz QSQWEKGDUGXWGB-RDJZCZTQSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040099 686063572 /nfs/dbraw/zinc/06/35/72/686063572.db2.gz PCPAIPWKVHNAMS-DNVCBOLYSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040099 686063577 /nfs/dbraw/zinc/06/35/77/686063577.db2.gz PCPAIPWKVHNAMS-DNVCBOLYSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040099 686063583 /nfs/dbraw/zinc/06/35/83/686063583.db2.gz PCPAIPWKVHNAMS-DNVCBOLYSA-N 2 1 337.483 2.049 20 30 EEEDMP CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2C#N)CC1)[NH+](C)C ZINC000985492552 687032651 /nfs/dbraw/zinc/03/26/51/687032651.db2.gz NKNWFMWKDPIWMM-LJQANCHMSA-N 2 1 342.487 2.321 20 30 EEEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988966341 691333127 /nfs/dbraw/zinc/33/31/27/691333127.db2.gz LEKXCCQLULIFHX-YJBOKZPZSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943756883 1192536060 /nfs/dbraw/zinc/53/60/60/1192536060.db2.gz XGJBVDCUQKAVCB-HOCLYGCPSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943756883 1192536061 /nfs/dbraw/zinc/53/60/61/1192536061.db2.gz XGJBVDCUQKAVCB-HOCLYGCPSA-N 2 1 327.900 2.297 20 30 EEEDMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001266948226 1177873149 /nfs/dbraw/zinc/87/31/49/1177873149.db2.gz LNAJWWOZDWCXDO-QAPCUYQASA-N 2 1 347.890 2.270 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001105430730 1187058106 /nfs/dbraw/zinc/05/81/06/1187058106.db2.gz BXVDKLQWOMTNIM-PUZFROQSSA-N 2 1 338.455 2.184 20 30 EEEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CCO2 ZINC001105481897 1188098255 /nfs/dbraw/zinc/09/82/55/1188098255.db2.gz KNKNHAATCJPZCP-PGYGNJIDSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991070925 1189860452 /nfs/dbraw/zinc/86/04/52/1189860452.db2.gz WUPHRTNOAMAUJI-FRQCXROJSA-N 2 1 328.460 2.450 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991070925 1189860458 /nfs/dbraw/zinc/86/04/58/1189860458.db2.gz WUPHRTNOAMAUJI-FRQCXROJSA-N 2 1 328.460 2.450 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCC[N@H+]1C ZINC001409835976 1190666978 /nfs/dbraw/zinc/66/69/78/1190666978.db2.gz VZJIFIWUEBTXMR-ZIAGYGMSSA-N 2 1 346.313 2.254 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819264 1194445673 /nfs/dbraw/zinc/44/56/73/1194445673.db2.gz YMVQCQJPEARULH-ZSYWTGECSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946819264 1194445676 /nfs/dbraw/zinc/44/56/76/1194445676.db2.gz YMVQCQJPEARULH-ZSYWTGECSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946819264 1194445679 /nfs/dbraw/zinc/44/56/79/1194445679.db2.gz YMVQCQJPEARULH-ZSYWTGECSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034010651 1195629935 /nfs/dbraw/zinc/62/99/35/1195629935.db2.gz BQABKGZYYYTKSP-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367570 1196136252 /nfs/dbraw/zinc/13/62/52/1196136252.db2.gz FSQMJBKRFZKYLN-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367570 1196136255 /nfs/dbraw/zinc/13/62/55/1196136255.db2.gz FSQMJBKRFZKYLN-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034367570 1196136260 /nfs/dbraw/zinc/13/62/60/1196136260.db2.gz FSQMJBKRFZKYLN-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034367570 1196136266 /nfs/dbraw/zinc/13/62/66/1196136266.db2.gz FSQMJBKRFZKYLN-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC001034792039 1196734913 /nfs/dbraw/zinc/73/49/13/1196734913.db2.gz CQAGXOFJMOBVKK-KKUMJFAQSA-N 2 1 346.500 2.088 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC001034792962 1196736120 /nfs/dbraw/zinc/73/61/20/1196736120.db2.gz PTJCBGQGVWLOFS-FHWLQOOXSA-N 2 1 340.471 2.027 20 30 EEEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)CC1 ZINC001273143240 1196999706 /nfs/dbraw/zinc/99/97/06/1196999706.db2.gz DHKLERMVBDPOTM-IBGZPJMESA-N 2 1 332.492 2.089 20 30 EEEDMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144477 1197014871 /nfs/dbraw/zinc/01/48/71/1197014871.db2.gz QGNTZQFXHZXTEL-AZUAARDMSA-N 2 1 346.519 2.337 20 30 EEEDMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144477 1197014875 /nfs/dbraw/zinc/01/48/75/1197014875.db2.gz QGNTZQFXHZXTEL-AZUAARDMSA-N 2 1 346.519 2.337 20 30 EEEDMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144477 1197014880 /nfs/dbraw/zinc/01/48/80/1197014880.db2.gz QGNTZQFXHZXTEL-AZUAARDMSA-N 2 1 346.519 2.337 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132140549 1199349351 /nfs/dbraw/zinc/34/93/51/1199349351.db2.gz IWRBZYLAMPCUCL-IAGOWNOFSA-N 2 1 330.476 2.453 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)CC[C@H]1C ZINC001132264787 1199502338 /nfs/dbraw/zinc/50/23/38/1199502338.db2.gz BLCSFWSIOGLTSY-WBVHZDCISA-N 2 1 349.475 2.127 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132264787 1199502343 /nfs/dbraw/zinc/50/23/43/1199502343.db2.gz BLCSFWSIOGLTSY-WBVHZDCISA-N 2 1 349.475 2.127 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132441471 1199726842 /nfs/dbraw/zinc/72/68/42/1199726842.db2.gz PRSMLBPWXLDEDI-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132441471 1199726850 /nfs/dbraw/zinc/72/68/50/1199726850.db2.gz PRSMLBPWXLDEDI-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132441471 1199726854 /nfs/dbraw/zinc/72/68/54/1199726854.db2.gz PRSMLBPWXLDEDI-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001132738007 1199965191 /nfs/dbraw/zinc/96/51/91/1199965191.db2.gz SZKSEZQFAHGOLD-INIZCTEOSA-N 2 1 346.450 2.025 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001132738007 1199965196 /nfs/dbraw/zinc/96/51/96/1199965196.db2.gz SZKSEZQFAHGOLD-INIZCTEOSA-N 2 1 346.450 2.025 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cn1 ZINC001275296220 1205302007 /nfs/dbraw/zinc/30/20/07/1205302007.db2.gz VYGMMRJUWSIWOT-HDICACEKSA-N 2 1 336.443 2.020 20 30 EEEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cn1 ZINC001275296220 1205302009 /nfs/dbraw/zinc/30/20/09/1205302009.db2.gz VYGMMRJUWSIWOT-HDICACEKSA-N 2 1 336.443 2.020 20 30 EEEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cn1 ZINC001275296220 1205302011 /nfs/dbraw/zinc/30/20/11/1205302011.db2.gz VYGMMRJUWSIWOT-HDICACEKSA-N 2 1 336.443 2.020 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2CC1 ZINC001275327360 1205309880 /nfs/dbraw/zinc/30/98/80/1205309880.db2.gz OMUUEBFBDHKBTL-KDURUIRLSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2CC1 ZINC001275327360 1205309882 /nfs/dbraw/zinc/30/98/82/1205309882.db2.gz OMUUEBFBDHKBTL-KDURUIRLSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2CC1 ZINC001275327360 1205309884 /nfs/dbraw/zinc/30/98/84/1205309884.db2.gz OMUUEBFBDHKBTL-KDURUIRLSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2CC1 ZINC001275327360 1205309885 /nfs/dbraw/zinc/30/98/85/1205309885.db2.gz OMUUEBFBDHKBTL-KDURUIRLSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2CC1 ZINC001275327360 1205309886 /nfs/dbraw/zinc/30/98/86/1205309886.db2.gz OMUUEBFBDHKBTL-KDURUIRLSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(C#N)ccc3F)C[C@H]2CC1 ZINC001275359378 1205321469 /nfs/dbraw/zinc/32/14/69/1205321469.db2.gz REYSAWPFURFBCF-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2CC1 ZINC001275359378 1205321470 /nfs/dbraw/zinc/32/14/70/1205321470.db2.gz REYSAWPFURFBCF-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2CC1 ZINC001275359378 1205321472 /nfs/dbraw/zinc/32/14/72/1205321472.db2.gz REYSAWPFURFBCF-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2CC1 ZINC001275359378 1205321473 /nfs/dbraw/zinc/32/14/73/1205321473.db2.gz REYSAWPFURFBCF-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2CC1 ZINC001275359378 1205321475 /nfs/dbraw/zinc/32/14/75/1205321475.db2.gz REYSAWPFURFBCF-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1C#N)C2 ZINC001275968673 1205607795 /nfs/dbraw/zinc/60/77/95/1205607795.db2.gz HZLBUJLDALHGPN-FQEVSTJZSA-N 2 1 326.488 2.408 20 30 EEEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1C#N)C2 ZINC001275968673 1205607796 /nfs/dbraw/zinc/60/77/96/1205607796.db2.gz HZLBUJLDALHGPN-FQEVSTJZSA-N 2 1 326.488 2.408 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947802370 1208723318 /nfs/dbraw/zinc/72/33/18/1208723318.db2.gz YJFCGBZDBLHTNR-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947802372 1208723355 /nfs/dbraw/zinc/72/33/55/1208723355.db2.gz YJFCGBZDBLHTNR-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000949358168 1209649085 /nfs/dbraw/zinc/64/90/85/1209649085.db2.gz FVWJZQZVJRIDFX-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000949358168 1209649087 /nfs/dbraw/zinc/64/90/87/1209649087.db2.gz FVWJZQZVJRIDFX-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000949358168 1209649090 /nfs/dbraw/zinc/64/90/90/1209649090.db2.gz FVWJZQZVJRIDFX-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCCCCC1 ZINC000190537253 1209906832 /nfs/dbraw/zinc/90/68/32/1209906832.db2.gz DNCUNAYFKAAKRG-LJQANCHMSA-N 2 1 344.503 2.468 20 30 EEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000950506297 1210252880 /nfs/dbraw/zinc/25/28/80/1210252880.db2.gz YWJOZJVXQSWZOW-SFHVURJKSA-N 2 1 325.472 2.309 20 30 EEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000950506297 1210252881 /nfs/dbraw/zinc/25/28/81/1210252881.db2.gz YWJOZJVXQSWZOW-SFHVURJKSA-N 2 1 325.472 2.309 20 30 EEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)CC(C)C ZINC000303774779 1213904085 /nfs/dbraw/zinc/90/40/85/1213904085.db2.gz GCPPOGNRLCXBNT-IAGOWNOFSA-N 3 1 325.545 2.132 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000303780855 1213905563 /nfs/dbraw/zinc/90/55/63/1213905563.db2.gz LTBHBBRVABHYDT-QGZVFWFLSA-N 2 1 348.491 2.163 20 30 EEEDMP CC[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)Oc1ccccc1F ZINC000304667641 1216082994 /nfs/dbraw/zinc/08/29/94/1216082994.db2.gz BMKKDXZNZLVUTP-HUUCEWRRSA-N 2 1 336.455 2.372 20 30 EEEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304740567 1216102509 /nfs/dbraw/zinc/10/25/09/1216102509.db2.gz BSNDJQYPMJKZFX-CYBMUJFWSA-N 2 1 344.381 2.331 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000960323372 1216493239 /nfs/dbraw/zinc/49/32/39/1216493239.db2.gz GDJGJEPRQQSGIK-POZUXBRTSA-N 2 1 347.890 2.453 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000960323372 1216493243 /nfs/dbraw/zinc/49/32/43/1216493243.db2.gz GDJGJEPRQQSGIK-POZUXBRTSA-N 2 1 347.890 2.453 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963356210 1217550521 /nfs/dbraw/zinc/55/05/21/1217550521.db2.gz CDDVEHMHRSCMRL-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963356210 1217550525 /nfs/dbraw/zinc/55/05/25/1217550525.db2.gz CDDVEHMHRSCMRL-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963356210 1217550528 /nfs/dbraw/zinc/55/05/28/1217550528.db2.gz CDDVEHMHRSCMRL-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CCC[N@@H+]3CC=C)C2)CC1 ZINC000963429783 1217623659 /nfs/dbraw/zinc/62/36/59/1217623659.db2.gz RKRIKWLYWXNYBX-WOJBJXKFSA-N 2 1 343.515 2.221 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967319224 1220410662 /nfs/dbraw/zinc/41/06/62/1220410662.db2.gz YBKLMPATCXSMQI-MAUKXSAKSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327841 1221212586 /nfs/dbraw/zinc/21/25/86/1221212586.db2.gz TUNCRHOKCMDHTB-QFBILLFUSA-N 2 1 329.488 2.417 20 30 EEEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000968998460 1221728258 /nfs/dbraw/zinc/72/82/58/1221728258.db2.gz WYWMWRSXNKZNHB-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000968998460 1221728260 /nfs/dbraw/zinc/72/82/60/1221728260.db2.gz WYWMWRSXNKZNHB-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000968998460 1221728263 /nfs/dbraw/zinc/72/82/63/1221728263.db2.gz WYWMWRSXNKZNHB-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008337378 1222770564 /nfs/dbraw/zinc/77/05/64/1222770564.db2.gz DLYZPCRKEVULEO-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008337378 1222770569 /nfs/dbraw/zinc/77/05/69/1222770569.db2.gz DLYZPCRKEVULEO-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001009631418 1223310679 /nfs/dbraw/zinc/31/06/79/1223310679.db2.gz YERTZSSJSCSDGW-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001017740474 1227692466 /nfs/dbraw/zinc/69/24/66/1227692466.db2.gz IIVNKFXSYCIOBI-CALCHBBNSA-N 2 1 342.487 2.403 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001017740474 1227692472 /nfs/dbraw/zinc/69/24/72/1227692472.db2.gz IIVNKFXSYCIOBI-CALCHBBNSA-N 2 1 342.487 2.403 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018835617 1228443480 /nfs/dbraw/zinc/44/34/80/1228443480.db2.gz KTWYYWGPEBTDBB-RBUKOAKNSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130423 1230338242 /nfs/dbraw/zinc/33/82/42/1230338242.db2.gz OVOSVPNWSBZJGR-UXHICEINSA-N 2 1 345.531 2.465 20 30 EEEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039132882 1230343152 /nfs/dbraw/zinc/34/31/52/1230343152.db2.gz QHHLWDKTRPOWEN-NZSAHSFTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039132882 1230343156 /nfs/dbraw/zinc/34/31/56/1230343156.db2.gz QHHLWDKTRPOWEN-NZSAHSFTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039132882 1230343161 /nfs/dbraw/zinc/34/31/61/1230343161.db2.gz QHHLWDKTRPOWEN-NZSAHSFTSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039133873 1230344825 /nfs/dbraw/zinc/34/48/25/1230344825.db2.gz LRMFMIIVMAAVOS-LJQANCHMSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180712 1230407303 /nfs/dbraw/zinc/40/73/03/1230407303.db2.gz VHADBARPGTZHPF-MOPGFXCFSA-N 2 1 333.520 2.156 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001039386937 1230571248 /nfs/dbraw/zinc/57/12/48/1230571248.db2.gz LFFMCLVGRQCYNQ-IKGGRYGDSA-N 2 1 328.460 2.402 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001039386937 1230571251 /nfs/dbraw/zinc/57/12/51/1230571251.db2.gz LFFMCLVGRQCYNQ-IKGGRYGDSA-N 2 1 328.460 2.402 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699942 1231340193 /nfs/dbraw/zinc/34/01/93/1231340193.db2.gz FNTDYSGROFLSJK-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041680818 1231648469 /nfs/dbraw/zinc/64/84/69/1231648469.db2.gz VWEJQILIKMKWAJ-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041680818 1231648471 /nfs/dbraw/zinc/64/84/71/1231648471.db2.gz VWEJQILIKMKWAJ-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723885 1231661943 /nfs/dbraw/zinc/66/19/43/1231661943.db2.gz LWFIKDGZKYXVCU-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723885 1231661945 /nfs/dbraw/zinc/66/19/45/1231661945.db2.gz LWFIKDGZKYXVCU-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723885 1231661946 /nfs/dbraw/zinc/66/19/46/1231661946.db2.gz LWFIKDGZKYXVCU-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254287 1231984978 /nfs/dbraw/zinc/98/49/78/1231984978.db2.gz KEEYQCXVIYXQHQ-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254287 1231984980 /nfs/dbraw/zinc/98/49/80/1231984980.db2.gz KEEYQCXVIYXQHQ-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042305647 1232018398 /nfs/dbraw/zinc/01/83/98/1232018398.db2.gz BYNBCPUKDCFUPM-ICSRJNTNSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015754 1233587934 /nfs/dbraw/zinc/58/79/34/1233587934.db2.gz RFZKSJAFBHRNLH-DRMAHVMPSA-N 2 1 337.483 2.497 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001096015754 1233587937 /nfs/dbraw/zinc/58/79/37/1233587937.db2.gz RFZKSJAFBHRNLH-DRMAHVMPSA-N 2 1 337.483 2.497 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001096015754 1233587941 /nfs/dbraw/zinc/58/79/41/1233587941.db2.gz RFZKSJAFBHRNLH-DRMAHVMPSA-N 2 1 337.483 2.497 20 30 EEEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001045685354 1233906492 /nfs/dbraw/zinc/90/64/92/1233906492.db2.gz HNKJHRLJKRYROA-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966168 1234245273 /nfs/dbraw/zinc/24/52/73/1234245273.db2.gz QCCMJKHREQKGGV-NRFANRHFSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045966168 1234245275 /nfs/dbraw/zinc/24/52/75/1234245275.db2.gz QCCMJKHREQKGGV-NRFANRHFSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045966168 1234245277 /nfs/dbraw/zinc/24/52/77/1234245277.db2.gz QCCMJKHREQKGGV-NRFANRHFSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046925939 1235314731 /nfs/dbraw/zinc/31/47/31/1235314731.db2.gz PPPZLDWGJDDYRW-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046925939 1235314734 /nfs/dbraw/zinc/31/47/34/1235314734.db2.gz PPPZLDWGJDDYRW-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046925939 1235314735 /nfs/dbraw/zinc/31/47/35/1235314735.db2.gz PPPZLDWGJDDYRW-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047256362 1235759560 /nfs/dbraw/zinc/75/95/60/1235759560.db2.gz JQKKPRBGXQWBTR-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047256364 1235759968 /nfs/dbraw/zinc/75/99/68/1235759968.db2.gz JQKKPRBGXQWBTR-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048531833 1237888210 /nfs/dbraw/zinc/88/82/10/1237888210.db2.gz GVMVTWVIZSEABU-HAGHYFMRSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001048531833 1237888219 /nfs/dbraw/zinc/88/82/19/1237888219.db2.gz GVMVTWVIZSEABU-HAGHYFMRSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001048531833 1237888230 /nfs/dbraw/zinc/88/82/30/1237888230.db2.gz GVMVTWVIZSEABU-HAGHYFMRSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)C)CC1 ZINC001048590711 1238043707 /nfs/dbraw/zinc/04/37/07/1238043707.db2.gz WCHXYOFDHLXENZ-FNLKRUPLSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048609578 1238091486 /nfs/dbraw/zinc/09/14/86/1238091486.db2.gz DILCQHIXUYCADY-UFYCRDLUSA-N 2 1 345.531 2.396 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048609578 1238091496 /nfs/dbraw/zinc/09/14/96/1238091496.db2.gz DILCQHIXUYCADY-UFYCRDLUSA-N 2 1 345.531 2.396 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860077 1239060159 /nfs/dbraw/zinc/06/01/59/1239060159.db2.gz FXZABEGTPAJCNX-GBESFXJTSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860077 1239060171 /nfs/dbraw/zinc/06/01/71/1239060171.db2.gz FXZABEGTPAJCNX-GBESFXJTSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860077 1239060181 /nfs/dbraw/zinc/06/01/81/1239060181.db2.gz FXZABEGTPAJCNX-GBESFXJTSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4ccnc4)cc3)C[C@H]2C1 ZINC001048964169 1239595766 /nfs/dbraw/zinc/59/57/66/1239595766.db2.gz HQQCINBSKZZOEJ-HDICACEKSA-N 2 1 336.439 2.452 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC001049114944 1240037155 /nfs/dbraw/zinc/03/71/55/1240037155.db2.gz XYTSUXOMPAIIPF-KDURUIRLSA-N 2 1 327.472 2.328 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001000557185 1240510695 /nfs/dbraw/zinc/51/06/95/1240510695.db2.gz KNTHCUHIATZNRH-OAHLLOKOSA-N 2 1 345.834 2.214 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049472794 1241052288 /nfs/dbraw/zinc/05/22/88/1241052288.db2.gz HCRCRALNZRBRMU-YSIASYRMSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001049472794 1241052297 /nfs/dbraw/zinc/05/22/97/1241052297.db2.gz HCRCRALNZRBRMU-YSIASYRMSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001049472794 1241052306 /nfs/dbraw/zinc/05/23/06/1241052306.db2.gz HCRCRALNZRBRMU-YSIASYRMSA-N 2 1 343.515 2.340 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478360 1241075480 /nfs/dbraw/zinc/07/54/80/1241075480.db2.gz NEFQHEPITZVWTB-YESZJQIVSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478360 1241075483 /nfs/dbraw/zinc/07/54/83/1241075483.db2.gz NEFQHEPITZVWTB-YESZJQIVSA-N 2 1 337.895 2.146 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049529495 1241264294 /nfs/dbraw/zinc/26/42/94/1241264294.db2.gz OAXPIIWERSIACX-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049529495 1241264308 /nfs/dbraw/zinc/26/43/08/1241264308.db2.gz OAXPIIWERSIACX-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001049529495 1241264316 /nfs/dbraw/zinc/26/43/16/1241264316.db2.gz OAXPIIWERSIACX-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC001049529495 1241264327 /nfs/dbraw/zinc/26/43/27/1241264327.db2.gz OAXPIIWERSIACX-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049599992 1241599646 /nfs/dbraw/zinc/59/96/46/1241599646.db2.gz XDEPUORMPCDVCX-ROUUACIJSA-N 2 1 328.460 2.013 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049599992 1241599650 /nfs/dbraw/zinc/59/96/50/1241599650.db2.gz XDEPUORMPCDVCX-ROUUACIJSA-N 2 1 328.460 2.013 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049912750 1242674077 /nfs/dbraw/zinc/67/40/77/1242674077.db2.gz OILCLIBAFQIBKG-RBUKOAKNSA-N 2 1 325.456 2.060 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050047968 1242718418 /nfs/dbraw/zinc/71/84/18/1242718418.db2.gz WGYWLPDNHCFFNU-IPMKNSEASA-N 2 1 331.504 2.217 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001050125579 1242932147 /nfs/dbraw/zinc/93/21/47/1242932147.db2.gz BAUVHEGNMFAWRF-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001050125579 1242932158 /nfs/dbraw/zinc/93/21/58/1242932158.db2.gz BAUVHEGNMFAWRF-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050181955 1243061997 /nfs/dbraw/zinc/06/19/97/1243061997.db2.gz MKVSRXPKXCAUTH-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050181955 1243062010 /nfs/dbraw/zinc/06/20/10/1243062010.db2.gz MKVSRXPKXCAUTH-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050181955 1243062018 /nfs/dbraw/zinc/06/20/18/1243062018.db2.gz MKVSRXPKXCAUTH-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050181955 1243062030 /nfs/dbraw/zinc/06/20/30/1243062030.db2.gz MKVSRXPKXCAUTH-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517777 1243770287 /nfs/dbraw/zinc/77/02/87/1243770287.db2.gz FLJFPMVJOARGIT-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@H](C)CC)CC2)CC1 ZINC001052954727 1245547114 /nfs/dbraw/zinc/54/71/14/1245547114.db2.gz QWCKIVOQBYTYHO-MJGOQNOKSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053035076 1245731470 /nfs/dbraw/zinc/73/14/70/1245731470.db2.gz ZNVPKSUUHAOXHZ-MOPGFXCFSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053035076 1245731476 /nfs/dbraw/zinc/73/14/76/1245731476.db2.gz ZNVPKSUUHAOXHZ-MOPGFXCFSA-N 2 1 342.487 2.165 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054153026 1247541450 /nfs/dbraw/zinc/54/14/50/1247541450.db2.gz KCLMJVYLTHSKQD-LJQANCHMSA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001071066209 1253933164 /nfs/dbraw/zinc/93/31/64/1253933164.db2.gz HBOFISLCQVZJSA-QYZOEREBSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001071055709 1286736693 /nfs/dbraw/zinc/73/66/93/1286736693.db2.gz SIEKRZMIZDNSAQ-QYZOEREBSA-N 2 1 349.519 2.031 20 30 EEEDMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC23CN(CCC#N)C3)cc1 ZINC001277938969 1305200398 /nfs/dbraw/zinc/20/03/98/1305200398.db2.gz KMTPCJQIGHTREO-UHFFFAOYSA-N 2 1 342.487 2.191 20 30 EEEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC23CN(CCC#N)C3)cc1 ZINC001277938969 1305200403 /nfs/dbraw/zinc/20/04/03/1305200403.db2.gz KMTPCJQIGHTREO-UHFFFAOYSA-N 2 1 342.487 2.191 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)CCCO1 ZINC001201669045 1289707941 /nfs/dbraw/zinc/70/79/41/1289707941.db2.gz OKCOAXYDPQHMSF-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCCCC)C2)CC1 ZINC001490578990 1291473959 /nfs/dbraw/zinc/47/39/59/1291473959.db2.gz AIJZFNRIQOIFEG-LJQANCHMSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](C/C=C/Cl)C2)CC1 ZINC001072094764 1295234455 /nfs/dbraw/zinc/23/44/55/1295234455.db2.gz CBNYLEIBSQTYIZ-ASECLENFSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](C/C=C/Cl)C2)CC1 ZINC001072094764 1295234466 /nfs/dbraw/zinc/23/44/66/1295234466.db2.gz CBNYLEIBSQTYIZ-ASECLENFSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC/C=C/CC)C[C@H]2C)CC1 ZINC001211307335 1295811516 /nfs/dbraw/zinc/81/15/16/1295811516.db2.gz UENPINICLLRUHH-WAQVGJNASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215389212 1296885402 /nfs/dbraw/zinc/88/54/02/1296885402.db2.gz ZFLJMGJBWZCTJB-QRQLOZEOSA-N 2 1 331.504 2.243 20 30 EEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCNc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000927166248 1297046164 /nfs/dbraw/zinc/04/61/64/1297046164.db2.gz UTXLVGIWHMEZIJ-FUHWJXTLSA-N 2 1 345.491 2.092 20 30 EEEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001073742932 1297475072 /nfs/dbraw/zinc/47/50/72/1297475072.db2.gz JFDMIKCSFFCNGE-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001073742932 1297475074 /nfs/dbraw/zinc/47/50/74/1297475074.db2.gz JFDMIKCSFFCNGE-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001073742932 1297475079 /nfs/dbraw/zinc/47/50/79/1297475079.db2.gz JFDMIKCSFFCNGE-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099349869 1299070851 /nfs/dbraw/zinc/07/08/51/1299070851.db2.gz UREXDHBNDQCLPS-ZWKOTPCHSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099349869 1299070859 /nfs/dbraw/zinc/07/08/59/1299070859.db2.gz UREXDHBNDQCLPS-ZWKOTPCHSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CCN1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)[C@@H]2C1 ZINC001221942527 1299215856 /nfs/dbraw/zinc/21/58/56/1299215856.db2.gz ONDNSBOIUMQHCE-AQNXPRMDSA-N 2 1 339.483 2.235 20 30 EEEDMP N#Cc1ccnc(-c2ccc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)cc2)c1 ZINC001222090517 1299340767 /nfs/dbraw/zinc/34/07/67/1299340767.db2.gz FJGILZMHOHYELL-UHFFFAOYSA-N 2 1 347.466 2.148 20 30 EEEDMP C=C(Cl)CN1CCC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001224569331 1300653891 /nfs/dbraw/zinc/65/38/91/1300653891.db2.gz LFSXFHBDICAQNC-UHFFFAOYSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001224569331 1300653904 /nfs/dbraw/zinc/65/39/04/1300653904.db2.gz LFSXFHBDICAQNC-UHFFFAOYSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373726 1300952900 /nfs/dbraw/zinc/95/29/00/1300952900.db2.gz JSIFKVKMNBFZKY-UKRRQHHQSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373726 1300952901 /nfs/dbraw/zinc/95/29/01/1300952901.db2.gz JSIFKVKMNBFZKY-UKRRQHHQSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373726 1300952907 /nfs/dbraw/zinc/95/29/07/1300952907.db2.gz JSIFKVKMNBFZKY-UKRRQHHQSA-N 2 1 327.900 2.155 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001230101507 1303058507 /nfs/dbraw/zinc/05/85/07/1303058507.db2.gz OWCQFVBYIFHNHH-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C#CC[N@@H+](CCCNC(=O)[C@@H](CC)[NH+](CC)CC)Cc1cccnc1 ZINC001230846647 1303499177 /nfs/dbraw/zinc/49/91/77/1303499177.db2.gz SJNANJWGTJFEPM-LJQANCHMSA-N 2 1 344.503 2.144 20 30 EEEDMP C#CC[N@H+](CCCNC(=O)[C@@H](CC)[NH+](CC)CC)Cc1cccnc1 ZINC001230846647 1303499181 /nfs/dbraw/zinc/49/91/81/1303499181.db2.gz SJNANJWGTJFEPM-LJQANCHMSA-N 2 1 344.503 2.144 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1cccnc1 ZINC001230898774 1303532375 /nfs/dbraw/zinc/53/23/75/1303532375.db2.gz NTMKFQHVDIWDRH-GOSISDBHSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230898774 1303532378 /nfs/dbraw/zinc/53/23/78/1303532378.db2.gz NTMKFQHVDIWDRH-GOSISDBHSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230898774 1303532383 /nfs/dbraw/zinc/53/23/83/1303532383.db2.gz NTMKFQHVDIWDRH-GOSISDBHSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001111852485 1303997444 /nfs/dbraw/zinc/99/74/44/1303997444.db2.gz XFRHKQNFXBDINO-BJLQDIEVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001111852485 1303997447 /nfs/dbraw/zinc/99/74/47/1303997447.db2.gz XFRHKQNFXBDINO-BJLQDIEVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001111852485 1303997450 /nfs/dbraw/zinc/99/74/50/1303997450.db2.gz XFRHKQNFXBDINO-BJLQDIEVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001111852485 1303997453 /nfs/dbraw/zinc/99/74/53/1303997453.db2.gz XFRHKQNFXBDINO-BJLQDIEVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001234435419 1304921175 /nfs/dbraw/zinc/92/11/75/1304921175.db2.gz HBVAQGCMOPYWOM-KRWDZBQOSA-N 2 1 330.476 2.261 20 30 EEEDMP N#CCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12 ZINC001277949184 1305253812 /nfs/dbraw/zinc/25/38/12/1305253812.db2.gz TZVBLZIRBRNLQM-ROUUACIJSA-N 2 1 344.503 2.135 20 30 EEEDMP CCCCCCCCN(CC[NH3+])[C@H]1C[NH2+][C@](CC)(C(=O)OC)C1 ZINC001246308760 1310277901 /nfs/dbraw/zinc/27/79/01/1310277901.db2.gz SDGNYUGDNFJHHM-AEFFLSMTSA-N 2 1 327.513 2.291 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001149738986 1316031533 /nfs/dbraw/zinc/03/15/33/1316031533.db2.gz HGZPHYGBPMLGMO-IAGOWNOFSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001149738986 1316031535 /nfs/dbraw/zinc/03/15/35/1316031535.db2.gz HGZPHYGBPMLGMO-IAGOWNOFSA-N 2 1 348.491 2.180 20 30 EEEDMP C[NH+](C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC001152528288 1316683857 /nfs/dbraw/zinc/68/38/57/1316683857.db2.gz CONCEFQIEGLPNC-IBGZPJMESA-N 2 1 336.439 2.067 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254870 1317525018 /nfs/dbraw/zinc/52/50/18/1317525018.db2.gz HEQAQYBMRRJYLX-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155254870 1317525021 /nfs/dbraw/zinc/52/50/21/1317525021.db2.gz HEQAQYBMRRJYLX-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155254870 1317525027 /nfs/dbraw/zinc/52/50/27/1317525027.db2.gz HEQAQYBMRRJYLX-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255582 1317525862 /nfs/dbraw/zinc/52/58/62/1317525862.db2.gz USZLANBFVZDAEV-RBUKOAKNSA-N 2 1 341.499 2.207 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155255582 1317525869 /nfs/dbraw/zinc/52/58/69/1317525869.db2.gz USZLANBFVZDAEV-RBUKOAKNSA-N 2 1 341.499 2.207 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155255582 1317525876 /nfs/dbraw/zinc/52/58/76/1317525876.db2.gz USZLANBFVZDAEV-RBUKOAKNSA-N 2 1 341.499 2.207 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC#Cc1ccccc1)[NH+](C)C ZINC001155289178 1317539222 /nfs/dbraw/zinc/53/92/22/1317539222.db2.gz MWNOOSYMJJUDHF-MJGOQNOKSA-N 2 1 329.488 2.205 20 30 EEEDMP C=CCC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001252595667 1317642812 /nfs/dbraw/zinc/64/28/12/1317642812.db2.gz JIVPXZYZFQZKBA-WCIQWLHISA-N 2 1 346.519 2.383 20 30 EEEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001252595667 1317642819 /nfs/dbraw/zinc/64/28/19/1317642819.db2.gz JIVPXZYZFQZKBA-WCIQWLHISA-N 2 1 346.519 2.383 20 30 EEEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001252595667 1317642820 /nfs/dbraw/zinc/64/28/20/1317642820.db2.gz JIVPXZYZFQZKBA-WCIQWLHISA-N 2 1 346.519 2.383 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC#Cc1ccccc1 ZINC001155900205 1317781708 /nfs/dbraw/zinc/78/17/08/1317781708.db2.gz GMHKOMZTJHNIHH-GOSISDBHSA-N 2 1 329.488 2.207 20 30 EEEDMP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287187 1318546213 /nfs/dbraw/zinc/54/62/13/1318546213.db2.gz HGPBXMOKKFXZDN-GOSISDBHSA-N 2 1 347.503 2.148 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287187 1318546230 /nfs/dbraw/zinc/54/62/30/1318546230.db2.gz HGPBXMOKKFXZDN-GOSISDBHSA-N 2 1 347.503 2.148 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001157287187 1318546239 /nfs/dbraw/zinc/54/62/39/1318546239.db2.gz HGPBXMOKKFXZDN-GOSISDBHSA-N 2 1 347.503 2.148 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001157287187 1318546250 /nfs/dbraw/zinc/54/62/50/1318546250.db2.gz HGPBXMOKKFXZDN-GOSISDBHSA-N 2 1 347.503 2.148 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001158228162 1319097812 /nfs/dbraw/zinc/09/78/12/1319097812.db2.gz WTGRRNSJFXAINZ-QGZVFWFLSA-N 2 1 342.487 2.098 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001158228162 1319097823 /nfs/dbraw/zinc/09/78/23/1319097823.db2.gz WTGRRNSJFXAINZ-QGZVFWFLSA-N 2 1 342.487 2.098 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001160209594 1320100235 /nfs/dbraw/zinc/10/02/35/1320100235.db2.gz RLQKUWDHYGTKBP-YJBOKZPZSA-N 2 1 331.435 2.080 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001160209594 1320100238 /nfs/dbraw/zinc/10/02/38/1320100238.db2.gz RLQKUWDHYGTKBP-YJBOKZPZSA-N 2 1 331.435 2.080 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)(COC)CC1 ZINC001162533787 1320888678 /nfs/dbraw/zinc/88/86/78/1320888678.db2.gz STYVTTHTXQWRLM-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001163822109 1321225556 /nfs/dbraw/zinc/22/55/56/1321225556.db2.gz SHLMXBFLTDYMPY-GOSISDBHSA-N 2 1 340.471 2.029 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1)CC(C)(C)C ZINC001166744431 1321779804 /nfs/dbraw/zinc/77/98/04/1321779804.db2.gz WODLNVBNZAMQRY-UHFFFAOYSA-N 2 1 336.505 2.194 20 30 EEEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001203797232 1321962795 /nfs/dbraw/zinc/96/27/95/1321962795.db2.gz ATEXFWPKWQLCSE-SFHVURJKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203797232 1321962796 /nfs/dbraw/zinc/96/27/96/1321962796.db2.gz ATEXFWPKWQLCSE-SFHVURJKSA-N 2 1 337.508 2.034 20 30 EEEDMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001265061482 1322900348 /nfs/dbraw/zinc/90/03/48/1322900348.db2.gz SCERPSVIYVAAMD-SFHVURJKSA-N 2 1 348.466 2.222 20 30 EEEDMP C=CCOCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206445961 1323495581 /nfs/dbraw/zinc/49/55/81/1323495581.db2.gz YLEWSAPEBDUJOW-UHFFFAOYSA-N 2 1 348.491 2.037 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001206795019 1323600312 /nfs/dbraw/zinc/60/03/12/1323600312.db2.gz YSGVATPZCOLSOC-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001492035476 1330459955 /nfs/dbraw/zinc/45/99/55/1330459955.db2.gz ZEHACGXHWOSYSV-AWEZNQCLSA-N 2 1 346.450 2.166 20 30 EEEDMP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001366675718 1374001009 /nfs/dbraw/zinc/00/10/09/1374001009.db2.gz ZVUZKACCVKXTFO-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001366675718 1374001013 /nfs/dbraw/zinc/00/10/13/1374001013.db2.gz ZVUZKACCVKXTFO-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001366675718 1374001016 /nfs/dbraw/zinc/00/10/16/1374001016.db2.gz ZVUZKACCVKXTFO-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001366675718 1374001021 /nfs/dbraw/zinc/00/10/21/1374001021.db2.gz ZVUZKACCVKXTFO-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001376524543 1378573778 /nfs/dbraw/zinc/57/37/78/1378573778.db2.gz CWWNLFRJKGCSBZ-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001376703383 1378690206 /nfs/dbraw/zinc/69/02/06/1378690206.db2.gz BFSFFFXCXHTWKU-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001379764244 1380873400 /nfs/dbraw/zinc/87/34/00/1380873400.db2.gz GBMSUZZAKNVADV-CZUORRHYSA-N 2 1 336.505 2.142 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001379764244 1380873406 /nfs/dbraw/zinc/87/34/06/1380873406.db2.gz GBMSUZZAKNVADV-CZUORRHYSA-N 2 1 336.505 2.142 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001379805907 1380899787 /nfs/dbraw/zinc/89/97/87/1380899787.db2.gz WLYUQWXTEXPJIH-QGZVFWFLSA-N 2 1 342.487 2.371 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001752799991 1406420131 /nfs/dbraw/zinc/42/01/31/1406420131.db2.gz OHHUDNYHTBJQAZ-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001752799991 1406420137 /nfs/dbraw/zinc/42/01/37/1406420137.db2.gz OHHUDNYHTBJQAZ-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001393179900 1390356895 /nfs/dbraw/zinc/35/68/95/1390356895.db2.gz KNDWUVHQDSSOIX-CQSZACIVSA-N 2 1 327.900 2.299 20 30 EEEDMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001399958952 1395745591 /nfs/dbraw/zinc/74/55/91/1395745591.db2.gz RHGFAXALPRNHIN-QGZVFWFLSA-N 2 1 348.516 2.432 20 30 EEEDMP CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)C[NH+](C)CC(C)(C)C ZINC001401387420 1397220047 /nfs/dbraw/zinc/22/00/47/1397220047.db2.gz WAAMMQMIVQSHBR-UHFFFAOYSA-N 2 1 344.503 2.426 20 30 EEEDMP CN(CC[NH+](C)Cc1cccc(C#N)c1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001401387420 1397220062 /nfs/dbraw/zinc/22/00/62/1397220062.db2.gz WAAMMQMIVQSHBR-UHFFFAOYSA-N 2 1 344.503 2.426 20 30 EEEDMP CN(CC[NH+](C)Cc1cccc(C#N)c1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001401387420 1397220070 /nfs/dbraw/zinc/22/00/70/1397220070.db2.gz WAAMMQMIVQSHBR-UHFFFAOYSA-N 2 1 344.503 2.426 20 30 EEEDMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001403187503 1398467189 /nfs/dbraw/zinc/46/71/89/1398467189.db2.gz HWTYHKXEKQIJJN-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001425063579 1401423850 /nfs/dbraw/zinc/42/38/50/1401423850.db2.gz GIUIEFXWDLIMCI-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001425063579 1401423854 /nfs/dbraw/zinc/42/38/54/1401423854.db2.gz GIUIEFXWDLIMCI-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001425906051 1401796638 /nfs/dbraw/zinc/79/66/38/1401796638.db2.gz FNFSQVSCQGIEFT-PBHICJAKSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[C@@]1(C(=O)N2CC[NH+]([C@@H](CC)c3ccccc3)CC2)CCC[NH2+]1 ZINC001574515896 1403521405 /nfs/dbraw/zinc/52/14/05/1403521405.db2.gz AVUMSFYNKAWBAI-FPOVZHCZSA-N 2 1 339.483 2.427 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)Cc2ccsc2)CC1 ZINC001752120789 1406216272 /nfs/dbraw/zinc/21/62/72/1406216272.db2.gz BZINCFWYFXJALB-UHFFFAOYSA-N 2 1 333.501 2.031 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001755707231 1407759984 /nfs/dbraw/zinc/75/99/84/1407759984.db2.gz FQZFANONQWMVHC-CEXWTWQISA-N 2 1 342.487 2.212 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001091301034 790266367 /nfs/dbraw/zinc/26/63/67/790266367.db2.gz FGUBTHHMVJPJKO-UHFFFAOYSA-N 2 1 345.834 2.118 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087296514 761513392 /nfs/dbraw/zinc/51/33/92/761513392.db2.gz ADOJDSFYNFTDSH-NJAFHUGGSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087296514 761513399 /nfs/dbraw/zinc/51/33/99/761513399.db2.gz ADOJDSFYNFTDSH-NJAFHUGGSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993100 782735363 /nfs/dbraw/zinc/73/53/63/782735363.db2.gz ZPRQDZOXCIYHGS-IXDOHACOSA-N 2 1 328.460 2.117 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993100 782735371 /nfs/dbraw/zinc/73/53/71/782735371.db2.gz ZPRQDZOXCIYHGS-IXDOHACOSA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106125 782920848 /nfs/dbraw/zinc/92/08/48/782920848.db2.gz NVRPDQQJHBDPQO-OAGGEKHMSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106125 782920852 /nfs/dbraw/zinc/92/08/52/782920852.db2.gz NVRPDQQJHBDPQO-OAGGEKHMSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106125 782920861 /nfs/dbraw/zinc/92/08/61/782920861.db2.gz NVRPDQQJHBDPQO-OAGGEKHMSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106125 782920867 /nfs/dbraw/zinc/92/08/67/782920867.db2.gz NVRPDQQJHBDPQO-OAGGEKHMSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130358 782953099 /nfs/dbraw/zinc/95/30/99/782953099.db2.gz KONKJQWTSNIBMP-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886664 774010106 /nfs/dbraw/zinc/01/01/06/774010106.db2.gz VQFJAJJUUDTOOD-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027886664 774010111 /nfs/dbraw/zinc/01/01/11/774010111.db2.gz VQFJAJJUUDTOOD-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027886664 774010116 /nfs/dbraw/zinc/01/01/16/774010116.db2.gz VQFJAJJUUDTOOD-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC000980181575 774015334 /nfs/dbraw/zinc/01/53/34/774015334.db2.gz FAYMQCJHRIXKFS-ZCNNSNEGSA-N 2 1 339.483 2.212 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC=C(C)C)CC1 ZINC000997623655 790467759 /nfs/dbraw/zinc/46/77/59/790467759.db2.gz GTYWCMFGRPHEOW-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC=C(C)C)CC1 ZINC000997623655 790467766 /nfs/dbraw/zinc/46/77/66/790467766.db2.gz GTYWCMFGRPHEOW-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089820974 776965010 /nfs/dbraw/zinc/96/50/10/776965010.db2.gz PZJXTMKTJNOFRJ-KANFNMMFSA-N 2 1 331.504 2.216 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820974 776965014 /nfs/dbraw/zinc/96/50/14/776965014.db2.gz PZJXTMKTJNOFRJ-KANFNMMFSA-N 2 1 331.504 2.216 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820974 776965022 /nfs/dbraw/zinc/96/50/22/776965022.db2.gz PZJXTMKTJNOFRJ-KANFNMMFSA-N 2 1 331.504 2.216 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089846210 777802564 /nfs/dbraw/zinc/80/25/64/777802564.db2.gz KWWHPYYLVUHXMJ-RDGPPVDQSA-N 2 1 343.515 2.053 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767624 778165056 /nfs/dbraw/zinc/16/50/56/778165056.db2.gz UUVJFHFKCDUWJO-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981767624 778165058 /nfs/dbraw/zinc/16/50/58/778165058.db2.gz UUVJFHFKCDUWJO-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767624 778165060 /nfs/dbraw/zinc/16/50/60/778165060.db2.gz UUVJFHFKCDUWJO-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC1CCCC1)C2 ZINC000981819170 778262721 /nfs/dbraw/zinc/26/27/21/778262721.db2.gz QIUIKUYAHWPRLC-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC1CCCC1)C2 ZINC000981819170 778262725 /nfs/dbraw/zinc/26/27/25/778262725.db2.gz QIUIKUYAHWPRLC-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC000981819170 778262731 /nfs/dbraw/zinc/26/27/31/778262731.db2.gz QIUIKUYAHWPRLC-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC000981819170 778262738 /nfs/dbraw/zinc/26/27/38/778262738.db2.gz QIUIKUYAHWPRLC-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982117041 779127871 /nfs/dbraw/zinc/12/78/71/779127871.db2.gz XWMDWNCMAXIPMN-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](C/C=C/Cl)C3)CC1 ZINC000982162157 779180629 /nfs/dbraw/zinc/18/06/29/779180629.db2.gz LCHRUQUZQKJXJZ-XBXARRHUSA-N 2 1 349.906 2.009 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226804 779402829 /nfs/dbraw/zinc/40/28/29/779402829.db2.gz OAXGDEYMSSIYAU-GOSISDBHSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226804 779402834 /nfs/dbraw/zinc/40/28/34/779402834.db2.gz OAXGDEYMSSIYAU-GOSISDBHSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCC(C)C)C[C@]2(C)C1 ZINC000982298639 779621073 /nfs/dbraw/zinc/62/10/73/779621073.db2.gz KBKBIEAXLBSHRS-SESVDKBCSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCC(C)C)C[C@]2(C)C1 ZINC000982298639 779621078 /nfs/dbraw/zinc/62/10/78/779621078.db2.gz KBKBIEAXLBSHRS-SESVDKBCSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCC(C)C)C[C@]2(C)C1 ZINC000982298639 779621082 /nfs/dbraw/zinc/62/10/82/779621082.db2.gz KBKBIEAXLBSHRS-SESVDKBCSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCC(C)C)C[C@]2(C)C1 ZINC000982298639 779621087 /nfs/dbraw/zinc/62/10/87/779621087.db2.gz KBKBIEAXLBSHRS-SESVDKBCSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@@]2(C)C1 ZINC000982306256 779658755 /nfs/dbraw/zinc/65/87/55/779658755.db2.gz OSIWPRPLCFVPRD-IZZBFERCSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C[C@@]2(C)C1 ZINC000982306256 779658762 /nfs/dbraw/zinc/65/87/62/779658762.db2.gz OSIWPRPLCFVPRD-IZZBFERCSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@@]2(C)C1 ZINC000982306256 779658772 /nfs/dbraw/zinc/65/87/72/779658772.db2.gz OSIWPRPLCFVPRD-IZZBFERCSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333223 779752360 /nfs/dbraw/zinc/75/23/60/779752360.db2.gz WMBYAUHOMIPNNN-SESVDKBCSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333223 779752367 /nfs/dbraw/zinc/75/23/67/779752367.db2.gz WMBYAUHOMIPNNN-SESVDKBCSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333223 779752371 /nfs/dbraw/zinc/75/23/71/779752371.db2.gz WMBYAUHOMIPNNN-SESVDKBCSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942101085 781723217 /nfs/dbraw/zinc/72/32/17/781723217.db2.gz QJPMVSJHQJPJPE-GDBMZVCRSA-N 2 1 333.501 2.273 20 30 EEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135691624 784253300 /nfs/dbraw/zinc/25/33/00/784253300.db2.gz XTSDYABFMYXSFX-ROUUACIJSA-N 2 1 339.524 2.328 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035395430 784438937 /nfs/dbraw/zinc/43/89/37/784438937.db2.gz WNPNRSLBBIFUOY-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001035395430 784438943 /nfs/dbraw/zinc/43/89/43/784438943.db2.gz WNPNRSLBBIFUOY-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001035395430 784438948 /nfs/dbraw/zinc/43/89/48/784438948.db2.gz WNPNRSLBBIFUOY-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135858204 784640708 /nfs/dbraw/zinc/64/07/08/784640708.db2.gz UZJOHPGAEVTSPV-KGLIPLIRSA-N 2 1 336.505 2.334 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001035724275 785022725 /nfs/dbraw/zinc/02/27/25/785022725.db2.gz APLRDFBEGUTDLW-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001035724275 785022734 /nfs/dbraw/zinc/02/27/34/785022734.db2.gz APLRDFBEGUTDLW-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP CCN(CC)c1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000170905837 791135265 /nfs/dbraw/zinc/13/52/65/791135265.db2.gz GNYRRJDWCSSIAZ-GOSISDBHSA-N 2 1 331.508 2.421 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001036193314 785964513 /nfs/dbraw/zinc/96/45/13/785964513.db2.gz MESIJZPQWVVMDN-HIFRSBDPSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996190685 786106297 /nfs/dbraw/zinc/10/62/97/786106297.db2.gz MXXDHMOWQDCNTF-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC000996683059 787126421 /nfs/dbraw/zinc/12/64/21/787126421.db2.gz ALDNBJCPNIJAOZ-IBGZPJMESA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC000996683059 787126424 /nfs/dbraw/zinc/12/64/24/787126424.db2.gz ALDNBJCPNIJAOZ-IBGZPJMESA-N 2 1 343.515 2.245 20 30 EEEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438825 787246693 /nfs/dbraw/zinc/24/66/93/787246693.db2.gz JLGZOZVIXJABNG-UYAOXDASSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438825 787246699 /nfs/dbraw/zinc/24/66/99/787246699.db2.gz JLGZOZVIXJABNG-UYAOXDASSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438825 787246704 /nfs/dbraw/zinc/24/67/04/787246704.db2.gz JLGZOZVIXJABNG-UYAOXDASSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646605 787996853 /nfs/dbraw/zinc/99/68/53/787996853.db2.gz MMFIBJQWZDLPSQ-QWFCFKBJSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941774 789558942 /nfs/dbraw/zinc/55/89/42/789558942.db2.gz NFGOFVSMWPQAAW-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107941774 789558951 /nfs/dbraw/zinc/55/89/51/789558951.db2.gz NFGOFVSMWPQAAW-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107941774 789558959 /nfs/dbraw/zinc/55/89/59/789558959.db2.gz NFGOFVSMWPQAAW-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997299151 789592560 /nfs/dbraw/zinc/59/25/60/789592560.db2.gz XMOGPEVPTRNOEU-RHSMWYFYSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001112539495 789833823 /nfs/dbraw/zinc/83/38/23/789833823.db2.gz DBCZFXOOQXELEP-PXNSSMCTSA-N 2 1 342.487 2.248 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593036 791361685 /nfs/dbraw/zinc/36/16/85/791361685.db2.gz MRXXUSFAXAUDNT-OLZOCXBDSA-N 2 1 334.302 2.108 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](CCC)CC2)CC1 ZINC000998194693 792198362 /nfs/dbraw/zinc/19/83/62/792198362.db2.gz DTXMWTICNCSWOT-LJQANCHMSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@H]12 ZINC000992191726 793161166 /nfs/dbraw/zinc/16/11/66/793161166.db2.gz RPLSFAYEMFEPLE-XKGZKEIXSA-N 2 1 342.487 2.443 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@H]12 ZINC000992191726 793161177 /nfs/dbraw/zinc/16/11/77/793161177.db2.gz RPLSFAYEMFEPLE-XKGZKEIXSA-N 2 1 342.487 2.443 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126585 793179864 /nfs/dbraw/zinc/17/98/64/793179864.db2.gz VQHAUKKKQYMPGN-DLBZAZTESA-N 2 1 339.524 2.136 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1 ZINC001109928199 806226480 /nfs/dbraw/zinc/22/64/80/806226480.db2.gz LPLCRTYAIBGVEX-AABGKKOBSA-N 2 1 339.483 2.101 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001109928199 806226487 /nfs/dbraw/zinc/22/64/87/806226487.db2.gz LPLCRTYAIBGVEX-AABGKKOBSA-N 2 1 339.483 2.101 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001109928199 806226495 /nfs/dbraw/zinc/22/64/95/806226495.db2.gz LPLCRTYAIBGVEX-AABGKKOBSA-N 2 1 339.483 2.101 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001109928199 806226503 /nfs/dbraw/zinc/22/65/03/806226503.db2.gz LPLCRTYAIBGVEX-AABGKKOBSA-N 2 1 339.483 2.101 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001109928199 806226512 /nfs/dbraw/zinc/22/65/12/806226512.db2.gz LPLCRTYAIBGVEX-AABGKKOBSA-N 2 1 339.483 2.101 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091819264 793331678 /nfs/dbraw/zinc/33/16/78/793331678.db2.gz SBSRXPZLZKSBGA-MJGOQNOKSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303103 793778921 /nfs/dbraw/zinc/77/89/21/793778921.db2.gz ROXAMKUMADHZBO-GGPKGHCWSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650552 794176824 /nfs/dbraw/zinc/17/68/24/794176824.db2.gz BUOJFIGAYORWRE-GDBMZVCRSA-N 2 1 333.501 2.131 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](C[C@H](C)CC)CC3)CC1 ZINC000992511255 794459641 /nfs/dbraw/zinc/45/96/41/794459641.db2.gz QMJSUDISYUXLAD-QFUCXCTJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](C[C@@H](C)CC)CC3)CC1 ZINC000992511242 794460301 /nfs/dbraw/zinc/46/03/01/794460301.db2.gz QMJSUDISYUXLAD-DSKINZAPSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092968437 794505744 /nfs/dbraw/zinc/50/57/44/794505744.db2.gz UBFRQBQVFGXOCQ-HZPDHXFCSA-N 2 1 346.475 2.144 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092968437 794505752 /nfs/dbraw/zinc/50/57/52/794505752.db2.gz UBFRQBQVFGXOCQ-HZPDHXFCSA-N 2 1 346.475 2.144 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001093543470 795354248 /nfs/dbraw/zinc/35/42/48/795354248.db2.gz SIQMNWXPJLGFDK-KRWDZBQOSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001093543470 795354253 /nfs/dbraw/zinc/35/42/53/795354253.db2.gz SIQMNWXPJLGFDK-KRWDZBQOSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106591211 795902907 /nfs/dbraw/zinc/90/29/07/795902907.db2.gz SGFHOHIHHXPZIY-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106665737 796072426 /nfs/dbraw/zinc/07/24/26/796072426.db2.gz ADXHYAMNDZWRIO-GPMSIDNRSA-N 2 1 339.499 2.459 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(=C)C)CC2 ZINC001094437744 796243396 /nfs/dbraw/zinc/24/33/96/796243396.db2.gz YTDOKUXXHDKGJA-QKNQBKEWSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(=C)C)CC2 ZINC001094437744 796243401 /nfs/dbraw/zinc/24/34/01/796243401.db2.gz YTDOKUXXHDKGJA-QKNQBKEWSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(=C)C)CC2 ZINC001094437744 796243407 /nfs/dbraw/zinc/24/34/07/796243407.db2.gz YTDOKUXXHDKGJA-QKNQBKEWSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(=C)C)CC2 ZINC001094437744 796243410 /nfs/dbraw/zinc/24/34/10/796243410.db2.gz YTDOKUXXHDKGJA-QKNQBKEWSA-N 2 1 343.515 2.411 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560292 796395286 /nfs/dbraw/zinc/39/52/86/796395286.db2.gz PXEQJDFZUFZZEG-IEBWSBKVSA-N 2 1 331.504 2.409 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001171725451 796705778 /nfs/dbraw/zinc/70/57/78/796705778.db2.gz LDPKVMXLCBNSFP-UHFFFAOYSA-N 2 1 334.439 2.025 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C12CCC2 ZINC001078760760 796984396 /nfs/dbraw/zinc/98/43/96/796984396.db2.gz AAFYDQPHXONECM-IAGOWNOFSA-N 2 1 337.427 2.084 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[C@@H](n2cc[nH+]c2CCC[NH3+])C[C@H]1C#N ZINC001172978038 797179408 /nfs/dbraw/zinc/17/94/08/797179408.db2.gz HUMUEDNUDPUAPA-KGLIPLIRSA-N 2 1 333.436 2.239 20 30 EEEDMP COCC[N@H+]1CCO[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)CC[C@@H]2C1 ZINC001173594637 797551325 /nfs/dbraw/zinc/55/13/25/797551325.db2.gz JBVKCASIFBBQBZ-TXQGORRRSA-N 2 1 335.492 2.128 20 30 EEEDMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)CC[C@@H]2C1 ZINC001173594637 797551331 /nfs/dbraw/zinc/55/13/31/797551331.db2.gz JBVKCASIFBBQBZ-TXQGORRRSA-N 2 1 335.492 2.128 20 30 EEEDMP COCC[NH+]1CCO[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)CC[C@@H]2C1 ZINC001173594637 797551335 /nfs/dbraw/zinc/55/13/35/797551335.db2.gz JBVKCASIFBBQBZ-TXQGORRRSA-N 2 1 335.492 2.128 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H](C)CC)[C@H]3C2)CC1 ZINC001085100682 798674142 /nfs/dbraw/zinc/67/41/42/798674142.db2.gz WSQOFCXCPIZTIH-NSHGMRRFSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101583 798674866 /nfs/dbraw/zinc/67/48/66/798674866.db2.gz RYNAVBOGHGDURW-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085149075 798723233 /nfs/dbraw/zinc/72/32/33/798723233.db2.gz AXVBOQRBULXDCE-QRVBRYPASA-N 2 1 340.471 2.169 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085152719 798727100 /nfs/dbraw/zinc/72/71/00/798727100.db2.gz OTVYAQCSNBVGAZ-GUDVDZBRSA-N 2 1 340.471 2.169 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182684 800289253 /nfs/dbraw/zinc/28/92/53/800289253.db2.gz KNRCQYWABGEGRW-BZSNNMDCSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182684 800289258 /nfs/dbraw/zinc/28/92/58/800289258.db2.gz KNRCQYWABGEGRW-BZSNNMDCSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832811 801380451 /nfs/dbraw/zinc/38/04/51/801380451.db2.gz RPCOPGHTIIBGEZ-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085832811 801380456 /nfs/dbraw/zinc/38/04/56/801380456.db2.gz RPCOPGHTIIBGEZ-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832811 801380465 /nfs/dbraw/zinc/38/04/65/801380465.db2.gz RPCOPGHTIIBGEZ-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001004460539 802129218 /nfs/dbraw/zinc/12/92/18/802129218.db2.gz ZUELVBLWEMCCMB-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004460539 802129222 /nfs/dbraw/zinc/12/92/22/802129222.db2.gz ZUELVBLWEMCCMB-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004460539 802129227 /nfs/dbraw/zinc/12/92/27/802129227.db2.gz ZUELVBLWEMCCMB-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004485748 802189617 /nfs/dbraw/zinc/18/96/17/802189617.db2.gz SLLFKULZJFRKPT-GOSISDBHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004485748 802189620 /nfs/dbraw/zinc/18/96/20/802189620.db2.gz SLLFKULZJFRKPT-GOSISDBHSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004540888 802332278 /nfs/dbraw/zinc/33/22/78/802332278.db2.gz USQURRRMDMCPJL-RTBURBONSA-N 2 1 333.520 2.299 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001004549334 802351995 /nfs/dbraw/zinc/35/19/95/802351995.db2.gz XHBXTKVIKTXQHC-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004549334 802352009 /nfs/dbraw/zinc/35/20/09/802352009.db2.gz XHBXTKVIKTXQHC-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004549334 802352013 /nfs/dbraw/zinc/35/20/13/802352013.db2.gz XHBXTKVIKTXQHC-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185216959 802401784 /nfs/dbraw/zinc/40/17/84/802401784.db2.gz SNWVWHRPHMHPIG-DLBZAZTESA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004595017 802447596 /nfs/dbraw/zinc/44/75/96/802447596.db2.gz DZOSKDYUFKTZSF-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595017 802447600 /nfs/dbraw/zinc/44/76/00/802447600.db2.gz DZOSKDYUFKTZSF-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595017 802447604 /nfs/dbraw/zinc/44/76/04/802447604.db2.gz DZOSKDYUFKTZSF-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001108259098 802632272 /nfs/dbraw/zinc/63/22/72/802632272.db2.gz YWDXAVQSJMRXFX-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001108259098 802632273 /nfs/dbraw/zinc/63/22/73/802632273.db2.gz YWDXAVQSJMRXFX-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001108259098 802632276 /nfs/dbraw/zinc/63/22/76/802632276.db2.gz YWDXAVQSJMRXFX-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001108259098 802632278 /nfs/dbraw/zinc/63/22/78/802632278.db2.gz YWDXAVQSJMRXFX-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946678121 802802807 /nfs/dbraw/zinc/80/28/07/802802807.db2.gz ULHHETLMCLTMSA-IYBDPMFKSA-N 2 1 336.867 2.114 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946678121 802802813 /nfs/dbraw/zinc/80/28/13/802802813.db2.gz ULHHETLMCLTMSA-IYBDPMFKSA-N 2 1 336.867 2.114 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697037 802836819 /nfs/dbraw/zinc/83/68/19/802836819.db2.gz LOYJOBOBDSZBTI-CEXWTWQISA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086386645 802875392 /nfs/dbraw/zinc/87/53/92/802875392.db2.gz BDDKMSBPXZGNMX-BZUAXINKSA-N 2 1 327.900 2.201 20 30 EEEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001108421053 803506022 /nfs/dbraw/zinc/50/60/22/803506022.db2.gz GKJKXSDBIWQVCY-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421053 803506027 /nfs/dbraw/zinc/50/60/27/803506027.db2.gz GKJKXSDBIWQVCY-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421053 803506030 /nfs/dbraw/zinc/50/60/30/803506030.db2.gz GKJKXSDBIWQVCY-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109418110 805432969 /nfs/dbraw/zinc/43/29/69/805432969.db2.gz XTRJLCMQXYRMKV-FZKCQIBNSA-N 2 1 325.884 2.335 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001086620111 810657247 /nfs/dbraw/zinc/65/72/47/810657247.db2.gz YRPCADLKBVLOEA-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001129841831 811004651 /nfs/dbraw/zinc/00/46/51/811004651.db2.gz PTHUHPNAOCBWBZ-GOSISDBHSA-N 2 1 347.890 2.272 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001130423794 811618423 /nfs/dbraw/zinc/61/84/23/811618423.db2.gz WMBPSVPGARPNMB-RDJZCZTQSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[N@H+](C)CCC)C1 ZINC001130445955 811650280 /nfs/dbraw/zinc/65/02/80/811650280.db2.gz FIMCDLWKUAYLGF-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CCC)C1 ZINC001130445955 811650286 /nfs/dbraw/zinc/65/02/86/811650286.db2.gz FIMCDLWKUAYLGF-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CCC)C1 ZINC001130445955 811650290 /nfs/dbraw/zinc/65/02/90/811650290.db2.gz FIMCDLWKUAYLGF-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001130710758 811959259 /nfs/dbraw/zinc/95/92/59/811959259.db2.gz CYQIMWJSGZIYKH-LJQANCHMSA-N 2 1 345.462 2.003 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001439160018 1091803427 /nfs/dbraw/zinc/80/34/27/1091803427.db2.gz NSGBOVLNJIIQOA-CYBMUJFWSA-N 2 1 345.472 2.234 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001439784540 1092742228 /nfs/dbraw/zinc/74/22/28/1092742228.db2.gz QFCLFRNXEVXDJF-SFHVURJKSA-N 2 1 349.906 2.494 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCC1 ZINC001440334836 1093477498 /nfs/dbraw/zinc/47/74/98/1093477498.db2.gz ASUUYBANVDQEPT-OAHLLOKOSA-N 2 1 327.900 2.489 20 30 EEEDMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001449036715 1094050666 /nfs/dbraw/zinc/05/06/66/1094050666.db2.gz MJOMOOOQFGEKLS-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)Cc2cccc(C#N)c2)CC1 ZINC001441389897 1094947957 /nfs/dbraw/zinc/94/79/57/1094947957.db2.gz WLHGBVQPVPOPIP-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001441389897 1094947964 /nfs/dbraw/zinc/94/79/64/1094947964.db2.gz WLHGBVQPVPOPIP-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001441389897 1094947974 /nfs/dbraw/zinc/94/79/74/1094947974.db2.gz WLHGBVQPVPOPIP-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001442157376 1096413120 /nfs/dbraw/zinc/41/31/20/1096413120.db2.gz NJNFIPJLRAZCPR-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001479913332 1099311360 /nfs/dbraw/zinc/31/13/60/1099311360.db2.gz XLEOERXPPGDQTN-HXUWFJFHSA-N 2 1 341.499 2.351 20 30 EEEDMP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001479913332 1099311368 /nfs/dbraw/zinc/31/13/68/1099311368.db2.gz XLEOERXPPGDQTN-HXUWFJFHSA-N 2 1 341.499 2.351 20 30 EEEDMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001448146147 1104105394 /nfs/dbraw/zinc/10/53/94/1104105394.db2.gz JQVLAJBWVCNISU-QGZVFWFLSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494857030 1104461635 /nfs/dbraw/zinc/46/16/35/1104461635.db2.gz QODWLUHXECZGEU-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494857030 1104461639 /nfs/dbraw/zinc/46/16/39/1104461639.db2.gz QODWLUHXECZGEU-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494857030 1104461641 /nfs/dbraw/zinc/46/16/41/1104461641.db2.gz QODWLUHXECZGEU-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494857030 1104461645 /nfs/dbraw/zinc/46/16/45/1104461645.db2.gz QODWLUHXECZGEU-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1C#N ZINC000374206831 154003260 /nfs/dbraw/zinc/00/32/60/154003260.db2.gz VGJIXJDQZYOIGZ-ZHALLVOQSA-N 2 1 329.444 2.250 20 30 EEEDMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1C#N ZINC000374206831 154003265 /nfs/dbraw/zinc/00/32/65/154003265.db2.gz VGJIXJDQZYOIGZ-ZHALLVOQSA-N 2 1 329.444 2.250 20 30 EEEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247450626 160324984 /nfs/dbraw/zinc/32/49/84/160324984.db2.gz HKUHTNFFHONYNI-ZWKOTPCHSA-N 2 1 331.460 2.104 20 30 EEEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247450626 160324986 /nfs/dbraw/zinc/32/49/86/160324986.db2.gz HKUHTNFFHONYNI-ZWKOTPCHSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247450626 160324987 /nfs/dbraw/zinc/32/49/87/160324987.db2.gz HKUHTNFFHONYNI-ZWKOTPCHSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247450626 160324989 /nfs/dbraw/zinc/32/49/89/160324989.db2.gz HKUHTNFFHONYNI-ZWKOTPCHSA-N 2 1 331.460 2.104 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000104155699 276371380 /nfs/dbraw/zinc/37/13/80/276371380.db2.gz MNJLOHOJWUVWMD-CVEARBPZSA-N 3 1 349.548 2.274 20 30 EEEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)N1CCCC1 ZINC000104155699 276371381 /nfs/dbraw/zinc/37/13/81/276371381.db2.gz MNJLOHOJWUVWMD-CVEARBPZSA-N 2 1 349.548 2.274 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)N1CCCC1 ZINC000104155699 276371383 /nfs/dbraw/zinc/37/13/83/276371383.db2.gz MNJLOHOJWUVWMD-CVEARBPZSA-N 2 1 349.548 2.274 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H](CNCc2cnc3c(C#N)cnn3c2)C1 ZINC000581944031 324346848 /nfs/dbraw/zinc/34/68/48/324346848.db2.gz NEQSDKNJTZJMPB-HNNXBMFYSA-N 2 1 326.448 2.059 20 30 EEEDMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000581944031 324346850 /nfs/dbraw/zinc/34/68/50/324346850.db2.gz NEQSDKNJTZJMPB-HNNXBMFYSA-N 2 1 326.448 2.059 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000581944031 324346854 /nfs/dbraw/zinc/34/68/54/324346854.db2.gz NEQSDKNJTZJMPB-HNNXBMFYSA-N 2 1 326.448 2.059 20 30 EEEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290753904 464130842 /nfs/dbraw/zinc/13/08/42/464130842.db2.gz YNPGCVBYSPOXNG-WMZOPIPTSA-N 2 1 332.492 2.228 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000173195977 464209251 /nfs/dbraw/zinc/20/92/51/464209251.db2.gz CRYGWTCMRDRBHD-SFHVURJKSA-N 2 1 334.508 2.201 20 30 EEEDMP COCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270547568 464260044 /nfs/dbraw/zinc/26/00/44/464260044.db2.gz FFAPPXDIYJQNPT-IUODEOHRSA-N 2 1 342.846 2.023 20 30 EEEDMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1C#N ZINC000281850343 464607704 /nfs/dbraw/zinc/60/77/04/464607704.db2.gz ZDWCYGFSFCUGBD-RBUKOAKNSA-N 2 1 343.471 2.424 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000190977792 464754425 /nfs/dbraw/zinc/75/44/25/464754425.db2.gz XULGSMIFXQWMCE-UHFFFAOYSA-N 2 1 332.492 2.294 20 30 EEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000350249957 466438567 /nfs/dbraw/zinc/43/85/67/466438567.db2.gz JOCLCPVVAWNPJN-LJQANCHMSA-N 2 1 331.460 2.370 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425540488 467106810 /nfs/dbraw/zinc/10/68/10/467106810.db2.gz ODGLMPPELTYSQP-HNNXBMFYSA-N 2 1 328.460 2.152 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](CC=C)CC1 ZINC000566107347 468144672 /nfs/dbraw/zinc/14/46/72/468144672.db2.gz JOFLJYRBSUFOPH-IBGZPJMESA-N 2 1 330.472 2.395 20 30 EEEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000595504074 468879241 /nfs/dbraw/zinc/87/92/41/468879241.db2.gz DRKQHBMDWRIDPR-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000595504074 468879244 /nfs/dbraw/zinc/87/92/44/468879244.db2.gz DRKQHBMDWRIDPR-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000595504074 468879245 /nfs/dbraw/zinc/87/92/45/468879245.db2.gz DRKQHBMDWRIDPR-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610371778 470008694 /nfs/dbraw/zinc/00/86/94/470008694.db2.gz MWANBHFEXUHIFX-OALUTQOASA-N 2 1 345.487 2.156 20 30 EEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610371778 470008698 /nfs/dbraw/zinc/00/86/98/470008698.db2.gz MWANBHFEXUHIFX-OALUTQOASA-N 2 1 345.487 2.156 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2sccc2C#N)CC1 ZINC000522682747 485514139 /nfs/dbraw/zinc/51/41/39/485514139.db2.gz VODMRNVQBKXXDW-UHFFFAOYSA-N 2 1 327.413 2.019 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC000972329761 678552381 /nfs/dbraw/zinc/55/23/81/678552381.db2.gz BBBPVYQZYONQLW-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000972329761 678552385 /nfs/dbraw/zinc/55/23/85/678552385.db2.gz BBBPVYQZYONQLW-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000972329761 678552388 /nfs/dbraw/zinc/55/23/88/678552388.db2.gz BBBPVYQZYONQLW-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC000972355766 678597096 /nfs/dbraw/zinc/59/70/96/678597096.db2.gz ZGMVUMRRABYODG-WMZOPIPTSA-N 2 1 346.450 2.070 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972650980 679510664 /nfs/dbraw/zinc/51/06/64/679510664.db2.gz NGXBUOHLGMXYJP-INIZCTEOSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972650980 679510668 /nfs/dbraw/zinc/51/06/68/679510668.db2.gz NGXBUOHLGMXYJP-INIZCTEOSA-N 2 1 327.900 2.392 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC001026893498 685259249 /nfs/dbraw/zinc/25/92/49/685259249.db2.gz HZIBDEAMTDADEE-QUCCMNQESA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC001026893498 685259253 /nfs/dbraw/zinc/25/92/53/685259253.db2.gz HZIBDEAMTDADEE-QUCCMNQESA-N 2 1 339.483 2.031 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001024652951 681318571 /nfs/dbraw/zinc/31/85/71/681318571.db2.gz ZDMJGZONUZYQDD-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001024652951 681318577 /nfs/dbraw/zinc/31/85/77/681318577.db2.gz ZDMJGZONUZYQDD-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832376 681350947 /nfs/dbraw/zinc/35/09/47/681350947.db2.gz XOJKHAICKIDZTI-TZRIAGMCSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553853 681635867 /nfs/dbraw/zinc/63/58/67/681635867.db2.gz RBCFHUOYKBYVPI-KVPLUYHFSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553853 681635868 /nfs/dbraw/zinc/63/58/68/681635868.db2.gz RBCFHUOYKBYVPI-KVPLUYHFSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553853 681635869 /nfs/dbraw/zinc/63/58/69/681635869.db2.gz RBCFHUOYKBYVPI-KVPLUYHFSA-N 2 1 333.520 2.321 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@]2(C)C1 ZINC000982694344 682048810 /nfs/dbraw/zinc/04/88/10/682048810.db2.gz MHCOCMJPKPSQLC-OYRHEFFESA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461663 682827510 /nfs/dbraw/zinc/82/75/10/682827510.db2.gz WXUXZHAWWUYXOY-GJZGRUSLSA-N 2 1 334.464 2.143 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461663 682827519 /nfs/dbraw/zinc/82/75/19/682827519.db2.gz WXUXZHAWWUYXOY-GJZGRUSLSA-N 2 1 334.464 2.143 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974665704 685192129 /nfs/dbraw/zinc/19/21/29/685192129.db2.gz SKDASQZJIHHAFW-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000974665704 685192131 /nfs/dbraw/zinc/19/21/31/685192131.db2.gz SKDASQZJIHHAFW-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C(C)(C)C1 ZINC000974665704 685192133 /nfs/dbraw/zinc/19/21/33/685192133.db2.gz SKDASQZJIHHAFW-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198488 1186837943 /nfs/dbraw/zinc/83/79/43/1186837943.db2.gz XWFHDPLWCDSGJC-ZIAGYGMSSA-N 2 1 335.414 2.273 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001105549662 1188165094 /nfs/dbraw/zinc/16/50/94/1188165094.db2.gz RGIBBSHXWMASKP-SFHVURJKSA-N 2 1 342.487 2.356 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001105549371 1188165195 /nfs/dbraw/zinc/16/51/95/1188165195.db2.gz IXWLSOPJWUOBQT-GOSISDBHSA-N 2 1 342.487 2.356 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105574708 1188188378 /nfs/dbraw/zinc/18/83/78/1188188378.db2.gz FQJNIDASAMESGH-OALUTQOASA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812212 1188555996 /nfs/dbraw/zinc/55/59/96/1188555996.db2.gz RTBBIBSPQNCKJI-NEWSRXKRSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812212 1188555997 /nfs/dbraw/zinc/55/59/97/1188555997.db2.gz RTBBIBSPQNCKJI-NEWSRXKRSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812212 1188555998 /nfs/dbraw/zinc/55/59/98/1188555998.db2.gz RTBBIBSPQNCKJI-NEWSRXKRSA-N 2 1 331.504 2.386 20 30 EEEDMP CCCCCCCC[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272478893 1190844177 /nfs/dbraw/zinc/84/41/77/1190844177.db2.gz RMOZHLIHRVOMMY-LJQANCHMSA-N 2 1 339.524 2.212 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018065688 1224280783 /nfs/dbraw/zinc/28/07/83/1224280783.db2.gz WMXQLHUPVUTDQM-KDURUIRLSA-N 2 1 325.456 2.060 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034241150 1195991459 /nfs/dbraw/zinc/99/14/59/1195991459.db2.gz PBYFHNQHPROMQQ-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034241150 1195991462 /nfs/dbraw/zinc/99/14/62/1195991462.db2.gz PBYFHNQHPROMQQ-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034241150 1195991465 /nfs/dbraw/zinc/99/14/65/1195991465.db2.gz PBYFHNQHPROMQQ-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398955 1196190500 /nfs/dbraw/zinc/19/05/00/1196190500.db2.gz PRVZYKYONIODRD-LPHOPBHVSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398955 1196190502 /nfs/dbraw/zinc/19/05/02/1196190502.db2.gz PRVZYKYONIODRD-LPHOPBHVSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398955 1196190506 /nfs/dbraw/zinc/19/05/06/1196190506.db2.gz PRVZYKYONIODRD-LPHOPBHVSA-N 2 1 337.483 2.193 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001411217653 1198927190 /nfs/dbraw/zinc/92/71/90/1198927190.db2.gz QHLXIBWINSKKGO-ZDUSSCGKSA-N 2 1 348.329 2.357 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406640 1199664593 /nfs/dbraw/zinc/66/45/93/1199664593.db2.gz LYNMQKKEVCPBMI-IAGOWNOFSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133147419 1200520874 /nfs/dbraw/zinc/52/08/74/1200520874.db2.gz SUQHLTJVCLMRGA-ZWKOTPCHSA-N 2 1 344.503 2.494 20 30 EEEDMP C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@@H+](CCCCC#N)C2)C1=O ZINC001274043189 1204343736 /nfs/dbraw/zinc/34/37/36/1204343736.db2.gz MYJRGPNDKVVYNC-FQEVSTJZSA-N 2 1 340.471 2.232 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000104155834 1204610552 /nfs/dbraw/zinc/61/05/52/1204610552.db2.gz SLBBWNOELSJSSA-GOSISDBHSA-N 2 1 348.491 2.163 20 30 EEEDMP N#CCCCN1CC[C@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001274266638 1204979694 /nfs/dbraw/zinc/97/96/94/1204979694.db2.gz ADFPJEFKJHWREM-IBGZPJMESA-N 2 1 337.427 2.291 20 30 EEEDMP COCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001274939336 1205213969 /nfs/dbraw/zinc/21/39/69/1205213969.db2.gz HMGOLXIUYOQBAT-HDICACEKSA-N 2 1 330.476 2.077 20 30 EEEDMP COCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001274939336 1205213971 /nfs/dbraw/zinc/21/39/71/1205213971.db2.gz HMGOLXIUYOQBAT-HDICACEKSA-N 2 1 330.476 2.077 20 30 EEEDMP COCCC[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001274939336 1205213973 /nfs/dbraw/zinc/21/39/73/1205213973.db2.gz HMGOLXIUYOQBAT-HDICACEKSA-N 2 1 330.476 2.077 20 30 EEEDMP N#Cc1cncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001275027503 1205236122 /nfs/dbraw/zinc/23/61/22/1205236122.db2.gz LXPCHINVZWSAEA-KDURUIRLSA-N 2 1 336.443 2.020 20 30 EEEDMP N#Cc1cncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001275027503 1205236123 /nfs/dbraw/zinc/23/61/23/1205236123.db2.gz LXPCHINVZWSAEA-KDURUIRLSA-N 2 1 336.443 2.020 20 30 EEEDMP N#Cc1cncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001275027503 1205236126 /nfs/dbraw/zinc/23/61/26/1205236126.db2.gz LXPCHINVZWSAEA-KDURUIRLSA-N 2 1 336.443 2.020 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001275414725 1205348244 /nfs/dbraw/zinc/34/82/44/1205348244.db2.gz XLQSGZBWKBKUTB-UHFFFAOYSA-N 2 1 330.451 2.157 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001111230333 1208397049 /nfs/dbraw/zinc/39/70/49/1208397049.db2.gz LPLCRTYAIBGVEX-AQNXPRMDSA-N 2 1 339.483 2.101 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001111230333 1208397051 /nfs/dbraw/zinc/39/70/51/1208397051.db2.gz LPLCRTYAIBGVEX-AQNXPRMDSA-N 2 1 339.483 2.101 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001111230333 1208397054 /nfs/dbraw/zinc/39/70/54/1208397054.db2.gz LPLCRTYAIBGVEX-AQNXPRMDSA-N 2 1 339.483 2.101 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001111230333 1208397057 /nfs/dbraw/zinc/39/70/57/1208397057.db2.gz LPLCRTYAIBGVEX-AQNXPRMDSA-N 2 1 339.483 2.101 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723054 1208686962 /nfs/dbraw/zinc/68/69/62/1208686962.db2.gz PLJQJIYMUIBSGM-PXNSSMCTSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(C)C[NH+]1CCOC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949389294 1209662412 /nfs/dbraw/zinc/66/24/12/1209662412.db2.gz WVEOXLMXUVFIMV-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949389294 1209662415 /nfs/dbraw/zinc/66/24/15/1209662415.db2.gz WVEOXLMXUVFIMV-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949389294 1209662417 /nfs/dbraw/zinc/66/24/17/1209662417.db2.gz WVEOXLMXUVFIMV-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957642279 1215289477 /nfs/dbraw/zinc/28/94/77/1215289477.db2.gz GLWPYZRLFLVTCC-INIZCTEOSA-N 2 1 339.911 2.395 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](OC)c1ccccc1Cl ZINC000305062769 1216138960 /nfs/dbraw/zinc/13/89/60/1216138960.db2.gz KGKACEIZHKKGQL-XJKSGUPXSA-N 2 1 338.883 2.416 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963352481 1217547022 /nfs/dbraw/zinc/54/70/22/1217547022.db2.gz NPNIPOHXTLLLRG-AEFFLSMTSA-N 2 1 343.471 2.291 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326085 1221210690 /nfs/dbraw/zinc/21/06/90/1221210690.db2.gz CRFGNIIIIKQINK-YLJYHZDGSA-N 2 1 341.499 2.254 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327839 1221211929 /nfs/dbraw/zinc/21/19/29/1221211929.db2.gz TUNCRHOKCMDHTB-APWZRJJASA-N 2 1 329.488 2.417 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000968861225 1221629590 /nfs/dbraw/zinc/62/95/90/1221629590.db2.gz KEUOVWPNEHISKH-CRAIPNDOSA-N 2 1 345.491 2.337 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008543333 1222917557 /nfs/dbraw/zinc/91/75/57/1222917557.db2.gz UWRXALFRYRAQSW-LJQANCHMSA-N 2 1 327.472 2.008 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008602107 1222955495 /nfs/dbraw/zinc/95/54/95/1222955495.db2.gz HWYPDRKQZQRRKQ-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008602107 1222955496 /nfs/dbraw/zinc/95/54/96/1222955496.db2.gz HWYPDRKQZQRRKQ-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008602107 1222955497 /nfs/dbraw/zinc/95/54/97/1222955497.db2.gz HWYPDRKQZQRRKQ-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001016337233 1226361466 /nfs/dbraw/zinc/36/14/66/1226361466.db2.gz QEGDISDWIFGSAQ-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018938472 1228551922 /nfs/dbraw/zinc/55/19/22/1228551922.db2.gz PRDLUKYRXRXGBT-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018985926 1228608020 /nfs/dbraw/zinc/60/80/20/1228608020.db2.gz MHOSSDYGHBTGDU-OALUTQOASA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018985926 1228608024 /nfs/dbraw/zinc/60/80/24/1228608024.db2.gz MHOSSDYGHBTGDU-OALUTQOASA-N 2 1 343.515 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140240 1230355601 /nfs/dbraw/zinc/35/56/01/1230355601.db2.gz RDRLYVAGTNVMLC-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140240 1230355604 /nfs/dbraw/zinc/35/56/04/1230355604.db2.gz RDRLYVAGTNVMLC-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140240 1230355609 /nfs/dbraw/zinc/35/56/09/1230355609.db2.gz RDRLYVAGTNVMLC-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CC[N@H+](CC=C)C3)CC2)CC1 ZINC001039182913 1230410514 /nfs/dbraw/zinc/41/05/14/1230410514.db2.gz UMKAZYKAXNNRGR-HXUWFJFHSA-N 2 1 343.515 2.078 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228609 1230461498 /nfs/dbraw/zinc/46/14/98/1230461498.db2.gz GLUTZWYYNUEIDS-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039228609 1230461499 /nfs/dbraw/zinc/46/14/99/1230461499.db2.gz GLUTZWYYNUEIDS-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039228609 1230461500 /nfs/dbraw/zinc/46/15/00/1230461500.db2.gz GLUTZWYYNUEIDS-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001039376253 1230562267 /nfs/dbraw/zinc/56/22/67/1230562267.db2.gz PROMTDGSDKHXNF-QYZOEREBSA-N 2 1 331.504 2.360 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040277256 1231148561 /nfs/dbraw/zinc/14/85/61/1231148561.db2.gz ZJOHMDYJAOLRKV-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040277256 1231148564 /nfs/dbraw/zinc/14/85/64/1231148564.db2.gz ZJOHMDYJAOLRKV-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040277256 1231148565 /nfs/dbraw/zinc/14/85/65/1231148565.db2.gz ZJOHMDYJAOLRKV-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001040354723 1231184621 /nfs/dbraw/zinc/18/46/21/1231184621.db2.gz SIZGVHWNZKNSEV-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001040354723 1231184622 /nfs/dbraw/zinc/18/46/22/1231184622.db2.gz SIZGVHWNZKNSEV-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001040882224 1231394996 /nfs/dbraw/zinc/39/49/96/1231394996.db2.gz AWSJADISDZFFDR-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598531 1231616954 /nfs/dbraw/zinc/61/69/54/1231616954.db2.gz APOYERUMVPKRBW-XYJFISCASA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598531 1231616955 /nfs/dbraw/zinc/61/69/55/1231616955.db2.gz APOYERUMVPKRBW-XYJFISCASA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598531 1231616956 /nfs/dbraw/zinc/61/69/56/1231616956.db2.gz APOYERUMVPKRBW-XYJFISCASA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598531 1231616958 /nfs/dbraw/zinc/61/69/58/1231616958.db2.gz APOYERUMVPKRBW-XYJFISCASA-N 2 1 339.911 2.394 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724349 1231662910 /nfs/dbraw/zinc/66/29/10/1231662910.db2.gz VLRLWSSGJAMNOZ-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041724349 1231662911 /nfs/dbraw/zinc/66/29/11/1231662911.db2.gz VLRLWSSGJAMNOZ-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041724349 1231662912 /nfs/dbraw/zinc/66/29/12/1231662912.db2.gz VLRLWSSGJAMNOZ-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778998 1231690247 /nfs/dbraw/zinc/69/02/47/1231690247.db2.gz JRPIARZTNIQNQS-RTWAWAEBSA-N 2 1 339.483 2.021 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042123437 1231903706 /nfs/dbraw/zinc/90/37/06/1231903706.db2.gz SEOICNJRJCAKOW-LPHOPBHVSA-N 2 1 336.439 2.202 20 30 EEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001045538111 1233799910 /nfs/dbraw/zinc/79/99/10/1233799910.db2.gz JQLSPUPOTOLYAO-INIZCTEOSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](F)CC)CC1 ZINC001045895890 1234127688 /nfs/dbraw/zinc/12/76/88/1234127688.db2.gz RYXUAUWCHZISMU-OTWHNJEPSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960562 1234235585 /nfs/dbraw/zinc/23/55/85/1234235585.db2.gz MPYRLEKGEORYGD-FQEVSTJZSA-N 2 1 343.471 2.293 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046942523 1235336021 /nfs/dbraw/zinc/33/60/21/1235336021.db2.gz KEGUUOZEQGCARD-HZPDHXFCSA-N 2 1 343.462 2.224 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046942523 1235336022 /nfs/dbraw/zinc/33/60/22/1235336022.db2.gz KEGUUOZEQGCARD-HZPDHXFCSA-N 2 1 343.462 2.224 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046942523 1235336024 /nfs/dbraw/zinc/33/60/24/1235336024.db2.gz KEGUUOZEQGCARD-HZPDHXFCSA-N 2 1 343.462 2.224 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001000741761 1240834326 /nfs/dbraw/zinc/83/43/26/1240834326.db2.gz GCNLIPNMVBOPGP-UHFFFAOYSA-N 2 1 331.485 2.195 20 30 EEEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001001075431 1241586863 /nfs/dbraw/zinc/58/68/63/1241586863.db2.gz ILFZBXDBLWEBOC-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001001075431 1241586880 /nfs/dbraw/zinc/58/68/80/1241586880.db2.gz ILFZBXDBLWEBOC-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001001075431 1241586898 /nfs/dbraw/zinc/58/68/98/1241586898.db2.gz ILFZBXDBLWEBOC-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049791091 1242195054 /nfs/dbraw/zinc/19/50/54/1242195054.db2.gz PQRLKMJNOVMJET-VQTJNVASSA-N 2 1 339.483 2.450 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052701276 1244784417 /nfs/dbraw/zinc/78/44/17/1244784417.db2.gz CALFXXHCSJBBRT-QFBILLFUSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701276 1244784423 /nfs/dbraw/zinc/78/44/23/1244784423.db2.gz CALFXXHCSJBBRT-QFBILLFUSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701276 1244784430 /nfs/dbraw/zinc/78/44/30/1244784430.db2.gz CALFXXHCSJBBRT-QFBILLFUSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)C)CC2)CC1 ZINC001052953781 1245545296 /nfs/dbraw/zinc/54/52/96/1245545296.db2.gz HYSMRLXVMPCDPQ-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053053853 1245780129 /nfs/dbraw/zinc/78/01/29/1245780129.db2.gz DLLYVIZLQGNQAE-MSOLQXFVSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053053853 1245780134 /nfs/dbraw/zinc/78/01/34/1245780134.db2.gz DLLYVIZLQGNQAE-MSOLQXFVSA-N 2 1 330.476 2.328 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001052254717 1246778544 /nfs/dbraw/zinc/77/85/44/1246778544.db2.gz OJMSLYGVNBJGMV-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001052254717 1246778552 /nfs/dbraw/zinc/77/85/52/1246778552.db2.gz OJMSLYGVNBJGMV-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001052254717 1246778557 /nfs/dbraw/zinc/77/85/57/1246778557.db2.gz OJMSLYGVNBJGMV-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053830027 1246862234 /nfs/dbraw/zinc/86/22/34/1246862234.db2.gz PFIYGYQAGAHMOI-QZTJIDSGSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053830027 1246862247 /nfs/dbraw/zinc/86/22/47/1246862247.db2.gz PFIYGYQAGAHMOI-QZTJIDSGSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384995 1247167626 /nfs/dbraw/zinc/16/76/26/1247167626.db2.gz FODQLUZYVZDHHK-CVEARBPZSA-N 2 1 325.884 2.051 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052425642 1247253722 /nfs/dbraw/zinc/25/37/22/1247253722.db2.gz AFXLVHBVLUJGRN-INIZCTEOSA-N 2 1 333.501 2.417 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052457455 1247330021 /nfs/dbraw/zinc/33/00/21/1247330021.db2.gz RPBMUEADAPMHSM-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052457455 1247330034 /nfs/dbraw/zinc/33/00/34/1247330034.db2.gz RPBMUEADAPMHSM-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052457455 1247330042 /nfs/dbraw/zinc/33/00/42/1247330042.db2.gz RPBMUEADAPMHSM-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052457455 1247330055 /nfs/dbraw/zinc/33/00/55/1247330055.db2.gz RPBMUEADAPMHSM-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134565 1247488699 /nfs/dbraw/zinc/48/86/99/1247488699.db2.gz HXGVAZGSRHJANI-JFIYKMOQSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134565 1247488706 /nfs/dbraw/zinc/48/87/06/1247488706.db2.gz HXGVAZGSRHJANI-JFIYKMOQSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134565 1247488717 /nfs/dbraw/zinc/48/87/17/1247488717.db2.gz HXGVAZGSRHJANI-JFIYKMOQSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142517 1247509851 /nfs/dbraw/zinc/50/98/51/1247509851.db2.gz FBHBHXKDYKYJNA-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142517 1247509859 /nfs/dbraw/zinc/50/98/59/1247509859.db2.gz FBHBHXKDYKYJNA-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142517 1247509864 /nfs/dbraw/zinc/50/98/64/1247509864.db2.gz FBHBHXKDYKYJNA-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245089 1247861114 /nfs/dbraw/zinc/86/11/14/1247861114.db2.gz OOIXFPCFXSAZCV-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071198756 1254044471 /nfs/dbraw/zinc/04/44/71/1254044471.db2.gz DLBRADNUUMBKAN-YLJYHZDGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001072983365 1255545750 /nfs/dbraw/zinc/54/57/50/1255545750.db2.gz UEXLDMHPBMDQSE-UHFFFAOYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001072983365 1255545756 /nfs/dbraw/zinc/54/57/56/1255545756.db2.gz UEXLDMHPBMDQSE-UHFFFAOYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001072983365 1255545763 /nfs/dbraw/zinc/54/57/63/1255545763.db2.gz UEXLDMHPBMDQSE-UHFFFAOYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001072983365 1255545765 /nfs/dbraw/zinc/54/57/65/1255545765.db2.gz UEXLDMHPBMDQSE-UHFFFAOYSA-N 2 1 325.884 2.005 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1C ZINC001074877665 1257184940 /nfs/dbraw/zinc/18/49/40/1257184940.db2.gz GCYZNXFOZJJGML-GJYPPUQNSA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099240564 1258029459 /nfs/dbraw/zinc/02/94/59/1258029459.db2.gz SKFHNFQWUWIVDN-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099240564 1258029463 /nfs/dbraw/zinc/02/94/63/1258029463.db2.gz SKFHNFQWUWIVDN-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001099240564 1258029468 /nfs/dbraw/zinc/02/94/68/1258029468.db2.gz SKFHNFQWUWIVDN-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001099553712 1258203016 /nfs/dbraw/zinc/20/30/16/1258203016.db2.gz VSEIJVIYHUVJHD-RDGPPVDQSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099582873 1258227661 /nfs/dbraw/zinc/22/76/61/1258227661.db2.gz DEZPFJNHCBJUOY-KRWDZBQOSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099582873 1258227664 /nfs/dbraw/zinc/22/76/64/1258227664.db2.gz DEZPFJNHCBJUOY-KRWDZBQOSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099582873 1258227670 /nfs/dbraw/zinc/22/76/70/1258227670.db2.gz DEZPFJNHCBJUOY-KRWDZBQOSA-N 2 1 349.519 2.034 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001100829625 1259311527 /nfs/dbraw/zinc/31/15/27/1259311527.db2.gz DFEDMUIPYRGLST-UHFFFAOYSA-N 2 1 346.450 2.024 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135030270 1278119427 /nfs/dbraw/zinc/11/94/27/1278119427.db2.gz ZWYJKCGAMQXANY-LSDHHAIUSA-N 2 1 339.443 2.136 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188189628 1279787220 /nfs/dbraw/zinc/78/72/20/1279787220.db2.gz OFQPCELXOOSEDO-IPMKNSEASA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188189628 1279787227 /nfs/dbraw/zinc/78/72/27/1279787227.db2.gz OFQPCELXOOSEDO-IPMKNSEASA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188189628 1279787236 /nfs/dbraw/zinc/78/72/36/1279787236.db2.gz OFQPCELXOOSEDO-IPMKNSEASA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001190818099 1281091256 /nfs/dbraw/zinc/09/12/56/1281091256.db2.gz OBTPGNDOPLUPDE-ZWKOTPCHSA-N 2 1 348.491 2.206 20 30 EEEDMP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193630419 1282613348 /nfs/dbraw/zinc/61/33/48/1282613348.db2.gz JMAGREGMGOQGDZ-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193630419 1282613362 /nfs/dbraw/zinc/61/33/62/1282613362.db2.gz JMAGREGMGOQGDZ-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193630419 1282613376 /nfs/dbraw/zinc/61/33/76/1282613376.db2.gz JMAGREGMGOQGDZ-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193630419 1282613386 /nfs/dbraw/zinc/61/33/86/1282613386.db2.gz JMAGREGMGOQGDZ-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202197939 1289941216 /nfs/dbraw/zinc/94/12/16/1289941216.db2.gz YAAZANPNSIVARR-MRXNPFEDSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001202503926 1294900733 /nfs/dbraw/zinc/90/07/33/1294900733.db2.gz PWNLZQQBGQFCHJ-SFHVURJKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001213574705 1296092950 /nfs/dbraw/zinc/09/29/50/1296092950.db2.gz LDLYVPLLCAHUEU-RTBURBONSA-N 2 1 345.487 2.143 20 30 EEEDMP C=CCC1(O)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000886778893 1296725493 /nfs/dbraw/zinc/72/54/93/1296725493.db2.gz ZPCVAXYEPMSJIW-UHFFFAOYSA-N 2 1 330.472 2.422 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001221770598 1299074004 /nfs/dbraw/zinc/07/40/04/1299074004.db2.gz UPVCHEHOKRXCSK-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001221770598 1299074015 /nfs/dbraw/zinc/07/40/15/1299074015.db2.gz UPVCHEHOKRXCSK-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109278 1300323620 /nfs/dbraw/zinc/32/36/20/1300323620.db2.gz BNOMIVCLQPNKAF-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109278 1300323636 /nfs/dbraw/zinc/32/36/36/1300323636.db2.gz BNOMIVCLQPNKAF-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157519 1300444237 /nfs/dbraw/zinc/44/42/37/1300444237.db2.gz JBBRGZOSRYLEPQ-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157519 1300444242 /nfs/dbraw/zinc/44/42/42/1300444242.db2.gz JBBRGZOSRYLEPQ-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP C=CC[NH+](CCCNC(=O)C[N@@H+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846464 1303497553 /nfs/dbraw/zinc/49/75/53/1303497553.db2.gz KNOZIEBRTFYXCS-QGZVFWFLSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)C[NH+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846464 1303497555 /nfs/dbraw/zinc/49/75/55/1303497555.db2.gz KNOZIEBRTFYXCS-QGZVFWFLSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)C[NH+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846464 1303497558 /nfs/dbraw/zinc/49/75/58/1303497558.db2.gz KNOZIEBRTFYXCS-QGZVFWFLSA-N 2 1 330.476 2.060 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001235587483 1305289859 /nfs/dbraw/zinc/28/98/59/1305289859.db2.gz DIEAHVHBKUPOPL-OALUTQOASA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001235587483 1305289864 /nfs/dbraw/zinc/28/98/64/1305289864.db2.gz DIEAHVHBKUPOPL-OALUTQOASA-N 2 1 342.487 2.177 20 30 EEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CCCCC1 ZINC001115571665 1305392311 /nfs/dbraw/zinc/39/23/11/1305392311.db2.gz JPYYMJALEXACIZ-GOSISDBHSA-N 2 1 349.519 2.225 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115577894 1305412259 /nfs/dbraw/zinc/41/22/59/1305412259.db2.gz NRNYSOXHRINGJV-SFHVURJKSA-N 2 1 331.504 2.293 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115577894 1305412275 /nfs/dbraw/zinc/41/22/75/1305412275.db2.gz NRNYSOXHRINGJV-SFHVURJKSA-N 2 1 331.504 2.293 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001121915354 1310172999 /nfs/dbraw/zinc/17/29/99/1310172999.db2.gz FMCNMPYPRVFJNP-UHFFFAOYSA-N 2 1 328.460 2.012 20 30 EEEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246314670 1310279808 /nfs/dbraw/zinc/27/98/08/1310279808.db2.gz YUQOUKSTNBLOFT-HFCFLWKCSA-N 3 1 337.508 2.115 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149847707 1316064918 /nfs/dbraw/zinc/06/49/18/1316064918.db2.gz HVXYRAFTEOJSTK-DLBZAZTESA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001151129074 1316454760 /nfs/dbraw/zinc/45/47/60/1316454760.db2.gz WZFJZHBPHJIDAL-KRWDZBQOSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001151352309 1316511174 /nfs/dbraw/zinc/51/11/74/1316511174.db2.gz XPRIIXRQSPTKNY-ZWKOTPCHSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C)c1 ZINC001153868323 1316904926 /nfs/dbraw/zinc/90/49/26/1316904926.db2.gz RATPULVEOYJWAA-QUCCMNQESA-N 2 1 341.499 2.419 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(C)c1 ZINC001153868323 1316904927 /nfs/dbraw/zinc/90/49/27/1316904927.db2.gz RATPULVEOYJWAA-QUCCMNQESA-N 2 1 341.499 2.419 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C)c1 ZINC001153868323 1316904929 /nfs/dbraw/zinc/90/49/29/1316904929.db2.gz RATPULVEOYJWAA-QUCCMNQESA-N 2 1 341.499 2.419 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(C)c1 ZINC001153868323 1316904930 /nfs/dbraw/zinc/90/49/30/1316904930.db2.gz RATPULVEOYJWAA-QUCCMNQESA-N 2 1 341.499 2.419 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(C)c1 ZINC001153868323 1316904932 /nfs/dbraw/zinc/90/49/32/1316904932.db2.gz RATPULVEOYJWAA-QUCCMNQESA-N 2 1 341.499 2.419 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034177 1316942036 /nfs/dbraw/zinc/94/20/36/1316942036.db2.gz UVJJGNJRIOXRDO-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154034177 1316942037 /nfs/dbraw/zinc/94/20/37/1316942037.db2.gz UVJJGNJRIOXRDO-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154034177 1316942038 /nfs/dbraw/zinc/94/20/38/1316942038.db2.gz UVJJGNJRIOXRDO-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154344857 1317087456 /nfs/dbraw/zinc/08/74/56/1317087456.db2.gz NGXKXPZXBDCTKW-MRXNPFEDSA-N 2 1 339.443 2.090 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154344857 1317087462 /nfs/dbraw/zinc/08/74/62/1317087462.db2.gz NGXKXPZXBDCTKW-MRXNPFEDSA-N 2 1 339.443 2.090 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC001155900217 1317781290 /nfs/dbraw/zinc/78/12/90/1317781290.db2.gz HGAQTWUKQSMNES-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1 ZINC001155900532 1317781999 /nfs/dbraw/zinc/78/19/99/1317781999.db2.gz XGKGNWJMNXCXDC-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)s1 ZINC001155900487 1317782210 /nfs/dbraw/zinc/78/22/10/1317782210.db2.gz VJVDRAMOMKAMAA-CQSZACIVSA-N 2 1 336.505 2.288 20 30 EEEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663488 1318160987 /nfs/dbraw/zinc/16/09/87/1318160987.db2.gz CBTMYJVYKKKBEU-RSPOEFSDSA-N 2 1 340.471 2.297 20 30 EEEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663488 1318160988 /nfs/dbraw/zinc/16/09/88/1318160988.db2.gz CBTMYJVYKKKBEU-RSPOEFSDSA-N 2 1 340.471 2.297 20 30 EEEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663488 1318160992 /nfs/dbraw/zinc/16/09/92/1318160992.db2.gz CBTMYJVYKKKBEU-RSPOEFSDSA-N 2 1 340.471 2.297 20 30 EEEDMP C=CCN(CC=C)CC[NH+]1CCN([C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255972049 1318581496 /nfs/dbraw/zinc/58/14/96/1318581496.db2.gz MJHLZXNKQIQXKP-FQEVSTJZSA-N 2 1 336.568 2.398 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158290098 1319146901 /nfs/dbraw/zinc/14/69/01/1319146901.db2.gz XFPNQLNCOUUUOA-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C[N@H+]1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)C2(CCCC2)C1 ZINC001158403841 1319221689 /nfs/dbraw/zinc/22/16/89/1319221689.db2.gz FMYZOUBOKUVGKK-UHFFFAOYSA-N 2 1 325.460 2.054 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCC(=O)OCC)CC1 ZINC001258501192 1319280520 /nfs/dbraw/zinc/28/05/20/1319280520.db2.gz RQGIUYSUMDRHHO-SFHVURJKSA-N 2 1 337.508 2.010 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001159908243 1320017354 /nfs/dbraw/zinc/01/73/54/1320017354.db2.gz HPVBIONDOFJEIX-FQEVSTJZSA-N 2 1 341.499 2.397 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131246 1320078576 /nfs/dbraw/zinc/07/85/76/1320078576.db2.gz IKEFZZLWYNHLNJ-MOPGFXCFSA-N 2 1 329.488 2.023 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131246 1320078579 /nfs/dbraw/zinc/07/85/79/1320078579.db2.gz IKEFZZLWYNHLNJ-MOPGFXCFSA-N 2 1 329.488 2.023 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131246 1320078585 /nfs/dbraw/zinc/07/85/85/1320078585.db2.gz IKEFZZLWYNHLNJ-MOPGFXCFSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001160209288 1320100339 /nfs/dbraw/zinc/10/03/39/1320100339.db2.gz GRCAVVPQCFHQRK-YLZBSDIZSA-N 2 1 339.483 2.283 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001160209288 1320100345 /nfs/dbraw/zinc/10/03/45/1320100345.db2.gz GRCAVVPQCFHQRK-YLZBSDIZSA-N 2 1 339.483 2.283 20 30 EEEDMP CC1(C)CCCc2cc(C#N)c(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)nc21 ZINC001160517929 1320182145 /nfs/dbraw/zinc/18/21/45/1320182145.db2.gz FGIDZUZUTAZOIC-HXUWFJFHSA-N 2 1 339.487 2.402 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001162982728 1321004358 /nfs/dbraw/zinc/00/43/58/1321004358.db2.gz MNDCDCLNTMDPHO-LJQANCHMSA-N 2 1 329.488 2.175 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001164449694 1321382257 /nfs/dbraw/zinc/38/22/57/1321382257.db2.gz QEBRBCUKYLLQKH-OAHLLOKOSA-N 2 1 348.516 2.338 20 30 EEEDMP Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2cccc3c[nH+]cn32)cc1C#N ZINC001280047688 1324067896 /nfs/dbraw/zinc/06/78/96/1324067896.db2.gz PPTWPZCKKUZPHK-BGYRXZFFSA-N 2 1 346.438 2.003 20 30 EEEDMP Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2cccc3c[nH+]cn32)cc1C#N ZINC001280047688 1324067902 /nfs/dbraw/zinc/06/79/02/1324067902.db2.gz PPTWPZCKKUZPHK-BGYRXZFFSA-N 2 1 346.438 2.003 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208352752 1324444220 /nfs/dbraw/zinc/44/42/20/1324444220.db2.gz NAHZSLJRFJQRPQ-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208352752 1324444230 /nfs/dbraw/zinc/44/42/30/1324444230.db2.gz NAHZSLJRFJQRPQ-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001209650259 1324999140 /nfs/dbraw/zinc/99/91/40/1324999140.db2.gz GGDQCQMPPKWDCC-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200722387 1338550203 /nfs/dbraw/zinc/55/02/03/1338550203.db2.gz WJKQWAZPKSMFRM-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001122249330 1371954967 /nfs/dbraw/zinc/95/49/67/1371954967.db2.gz SPZYXYYLSCYUGN-MBEFBZSESA-N 2 1 339.483 2.330 20 30 EEEDMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001374428614 1376807029 /nfs/dbraw/zinc/80/70/29/1376807029.db2.gz WPYKLNLONSZMOM-LJQANCHMSA-N 2 1 342.487 2.273 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001376419704 1378537997 /nfs/dbraw/zinc/53/79/97/1378537997.db2.gz UULAVXJQUVBUCC-OWCLPIDISA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Br)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001376914635 1378848104 /nfs/dbraw/zinc/84/81/04/1378848104.db2.gz SUGUPOJKJYMNRC-CQSZACIVSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001376914635 1378848109 /nfs/dbraw/zinc/84/81/09/1378848109.db2.gz SUGUPOJKJYMNRC-CQSZACIVSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001376914635 1378848116 /nfs/dbraw/zinc/84/81/16/1378848116.db2.gz SUGUPOJKJYMNRC-CQSZACIVSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001376914635 1378848124 /nfs/dbraw/zinc/84/81/24/1378848124.db2.gz SUGUPOJKJYMNRC-CQSZACIVSA-N 2 1 346.313 2.208 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001382361679 1382088589 /nfs/dbraw/zinc/08/85/89/1382088589.db2.gz QIWYQKDCTPFWIM-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001382361679 1382088595 /nfs/dbraw/zinc/08/85/95/1382088595.db2.gz QIWYQKDCTPFWIM-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001382361679 1382088601 /nfs/dbraw/zinc/08/86/01/1382088601.db2.gz QIWYQKDCTPFWIM-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001382581696 1382138121 /nfs/dbraw/zinc/13/81/21/1382138121.db2.gz HWCBYSGVVJOGTM-UHFFFAOYSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2C#N)C1 ZINC001393392050 1390424443 /nfs/dbraw/zinc/42/44/43/1390424443.db2.gz QEJQNSRBUUPSBI-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCc1ccccc1C ZINC001752878149 1406507312 /nfs/dbraw/zinc/50/73/12/1406507312.db2.gz IVGOIDFHGQDYDT-QUCCMNQESA-N 2 1 341.499 2.120 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCc1ccccc1C ZINC001752878149 1406507319 /nfs/dbraw/zinc/50/73/19/1406507319.db2.gz IVGOIDFHGQDYDT-QUCCMNQESA-N 2 1 341.499 2.120 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCCC2)C1 ZINC001401189378 1397023155 /nfs/dbraw/zinc/02/31/55/1397023155.db2.gz RKPSPLFDIRZMDO-AWEZNQCLSA-N 2 1 346.500 2.090 20 30 EEEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1CC ZINC001754469797 1406914594 /nfs/dbraw/zinc/91/45/94/1406914594.db2.gz FZZVEPLPHVNBRS-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001402394994 1397974643 /nfs/dbraw/zinc/97/46/43/1397974643.db2.gz SIQCFOGDKNCSTQ-HNNXBMFYSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001402406002 1397982122 /nfs/dbraw/zinc/98/21/22/1397982122.db2.gz FQALGVCRFQSVDG-WKILWMFISA-N 2 1 338.883 2.456 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001423364156 1400547173 /nfs/dbraw/zinc/54/71/73/1400547173.db2.gz MCNAQPJLBFFRAU-INIZCTEOSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001423364156 1400547176 /nfs/dbraw/zinc/54/71/76/1400547176.db2.gz MCNAQPJLBFFRAU-INIZCTEOSA-N 2 1 325.884 2.005 20 30 EEEDMP C#CC[C@]1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC001574515854 1403521442 /nfs/dbraw/zinc/52/14/42/1403521442.db2.gz AITGKINUKNPJFO-YLJYHZDGSA-N 2 1 327.472 2.159 20 30 EEEDMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C[NH3+] ZINC001576729767 1403600729 /nfs/dbraw/zinc/60/07/29/1403600729.db2.gz YDUKVBBLPCOKMX-TZMCWYRMSA-N 2 1 334.851 2.457 20 30 EEEDMP C[C@@H]1[C@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001755655573 1407708050 /nfs/dbraw/zinc/70/80/50/1407708050.db2.gz XSJVXYCHKUZQLR-YLJYHZDGSA-N 2 1 339.483 2.101 20 30 EEEDMP C=CCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C(F)(F)F ZINC001755850443 1407901697 /nfs/dbraw/zinc/90/16/97/1407901697.db2.gz DULDMEFKVDYQEB-KGLIPLIRSA-N 2 1 344.381 2.137 20 30 EEEDMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC001772051597 1410025211 /nfs/dbraw/zinc/02/52/11/1410025211.db2.gz QZAZQMHHICPAQW-MSOLQXFVSA-N 2 1 345.487 2.202 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100038701 1410515243 /nfs/dbraw/zinc/51/52/43/1410515243.db2.gz LTCHHBRXWSGISP-ROUUACIJSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038701 1410515246 /nfs/dbraw/zinc/51/52/46/1410515246.db2.gz LTCHHBRXWSGISP-ROUUACIJSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038701 1410515253 /nfs/dbraw/zinc/51/52/53/1410515253.db2.gz LTCHHBRXWSGISP-ROUUACIJSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001089863408 782298960 /nfs/dbraw/zinc/29/89/60/782298960.db2.gz ZQCMBPVEFAFMDF-VJANTYMQSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001089863408 782298967 /nfs/dbraw/zinc/29/89/67/782298967.db2.gz ZQCMBPVEFAFMDF-VJANTYMQSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001089863408 782298975 /nfs/dbraw/zinc/29/89/75/782298975.db2.gz ZQCMBPVEFAFMDF-VJANTYMQSA-N 2 1 345.531 2.463 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001203203548 759697957 /nfs/dbraw/zinc/69/79/57/759697957.db2.gz NYZKDEOSOORQAE-UHFFFAOYSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001203203582 759698580 /nfs/dbraw/zinc/69/85/80/759698580.db2.gz OQDFYWVZEYWHAQ-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001167641250 760805842 /nfs/dbraw/zinc/80/58/42/760805842.db2.gz WMUUPXRHNFTZBO-UHFFFAOYSA-N 2 1 348.516 2.338 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211625655 761226757 /nfs/dbraw/zinc/22/67/57/761226757.db2.gz QJONUPRGRUHXFD-ZWKOTPCHSA-N 2 1 329.488 2.487 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@@H]21 ZINC001087306025 761553054 /nfs/dbraw/zinc/55/30/54/761553054.db2.gz BYSIPQSJSFDVCU-KBAYOESNSA-N 2 1 342.487 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@@H]21 ZINC001087306025 761553062 /nfs/dbraw/zinc/55/30/62/761553062.db2.gz BYSIPQSJSFDVCU-KBAYOESNSA-N 2 1 342.487 2.245 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087306401 761554452 /nfs/dbraw/zinc/55/44/52/761554452.db2.gz IMWLSVGQZWLPHR-MISYRCLQSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430693 769092991 /nfs/dbraw/zinc/09/29/91/769092991.db2.gz RKRSZFHNWQCQDB-QGZVFWFLSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948474768 783005898 /nfs/dbraw/zinc/00/58/98/783005898.db2.gz YVNIVOZVGQAJAZ-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210544 783061650 /nfs/dbraw/zinc/06/16/50/783061650.db2.gz PJLVVTYUZKZDNA-UXHICEINSA-N 2 1 339.483 2.165 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213133 783066804 /nfs/dbraw/zinc/06/68/04/783066804.db2.gz LVTXSSMZPAFIQG-CEXWTWQISA-N 2 1 327.472 2.256 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213133 783066807 /nfs/dbraw/zinc/06/68/07/783066807.db2.gz LVTXSSMZPAFIQG-CEXWTWQISA-N 2 1 327.472 2.256 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4nccn43)C[C@H]2C1 ZINC000980143836 773940863 /nfs/dbraw/zinc/94/08/63/773940863.db2.gz PARPWRBULUDRQQ-ULQDDVLXSA-N 2 1 336.439 2.188 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]cn1 ZINC001089820713 776949559 /nfs/dbraw/zinc/94/95/59/776949559.db2.gz OGUUPOKJMOBPAY-NQYYFHDYSA-N 2 1 342.487 2.477 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnc[nH]1 ZINC001089820713 776949563 /nfs/dbraw/zinc/94/95/63/776949563.db2.gz OGUUPOKJMOBPAY-NQYYFHDYSA-N 2 1 342.487 2.477 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnc[nH]1 ZINC001089820713 776949568 /nfs/dbraw/zinc/94/95/68/776949568.db2.gz OGUUPOKJMOBPAY-NQYYFHDYSA-N 2 1 342.487 2.477 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000981341226 777184894 /nfs/dbraw/zinc/18/48/94/777184894.db2.gz RJAPTNUOCCTTKZ-CVEARBPZSA-N 2 1 346.475 2.477 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC000981861151 778408210 /nfs/dbraw/zinc/40/82/10/778408210.db2.gz DIVIGGNXHABGQZ-UHFFFAOYSA-N 2 1 336.439 2.204 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000981962879 778690585 /nfs/dbraw/zinc/69/05/85/778690585.db2.gz ABCGFHXZRKJOSV-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000981962879 778690588 /nfs/dbraw/zinc/69/05/88/778690588.db2.gz ABCGFHXZRKJOSV-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982305953 779656067 /nfs/dbraw/zinc/65/60/67/779656067.db2.gz BINWZNCYQGANBK-BWPNAZKDSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982305953 779656070 /nfs/dbraw/zinc/65/60/70/779656070.db2.gz BINWZNCYQGANBK-BWPNAZKDSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982305953 779656077 /nfs/dbraw/zinc/65/60/77/779656077.db2.gz BINWZNCYQGANBK-BWPNAZKDSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087469605 781318231 /nfs/dbraw/zinc/31/82/31/781318231.db2.gz MOROHXXJLKZUQP-BHIYHBOVSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087469605 781318236 /nfs/dbraw/zinc/31/82/36/781318236.db2.gz MOROHXXJLKZUQP-BHIYHBOVSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087469605 781318241 /nfs/dbraw/zinc/31/82/41/781318241.db2.gz MOROHXXJLKZUQP-BHIYHBOVSA-N 2 1 345.462 2.238 20 30 EEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997725184 790900364 /nfs/dbraw/zinc/90/03/64/790900364.db2.gz CMOVZXGGRBWEPT-HKUYNNGSSA-N 2 1 333.520 2.348 20 30 EEEDMP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)CCCC1 ZINC001131835248 783334576 /nfs/dbraw/zinc/33/45/76/783334576.db2.gz QEUQPACMWUCXFL-UHFFFAOYSA-N 2 1 346.450 2.168 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233962 784147290 /nfs/dbraw/zinc/14/72/90/784147290.db2.gz QMKMXDZCUNPITB-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035245118 784179465 /nfs/dbraw/zinc/17/94/65/784179465.db2.gz KXXSKKKJOWICEE-UHFFFAOYSA-N 2 1 340.471 2.099 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035245626 784180229 /nfs/dbraw/zinc/18/02/29/784180229.db2.gz VZJYTWZETHZRKJ-UHFFFAOYSA-N 2 1 340.471 2.099 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035249594 784193443 /nfs/dbraw/zinc/19/34/43/784193443.db2.gz VPKORENDQDTJEW-UHFFFAOYSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035719762 785012848 /nfs/dbraw/zinc/01/28/48/785012848.db2.gz AJAYCJFZPSIKDR-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995914957 785837766 /nfs/dbraw/zinc/83/77/66/785837766.db2.gz NAVVQRPKODDGAF-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000996711717 787235358 /nfs/dbraw/zinc/23/53/58/787235358.db2.gz KOROLKSJMWHHKV-JKSUJKDBSA-N 2 1 325.884 2.336 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107435797 787236478 /nfs/dbraw/zinc/23/64/78/787236478.db2.gz APSIXBHQPJYEQF-NLWGTHIKSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435797 787236490 /nfs/dbraw/zinc/23/64/90/787236490.db2.gz APSIXBHQPJYEQF-NLWGTHIKSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435797 787236494 /nfs/dbraw/zinc/23/64/94/787236494.db2.gz APSIXBHQPJYEQF-NLWGTHIKSA-N 2 1 331.504 2.243 20 30 EEEDMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])N1CCSCC1)C1CC1 ZINC000187055888 788535709 /nfs/dbraw/zinc/53/57/09/788535709.db2.gz HHCSOWJRQPKUFG-KRWDZBQOSA-N 2 1 332.517 2.261 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946904325 789621830 /nfs/dbraw/zinc/62/18/30/789621830.db2.gz BGWGLOZQNVNOKV-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001147359116 791799622 /nfs/dbraw/zinc/79/96/22/791799622.db2.gz LLTWPGZRMPOIQN-QGZVFWFLSA-N 2 1 348.516 2.480 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001148611905 792559801 /nfs/dbraw/zinc/55/98/01/792559801.db2.gz RKPOVTVJBNMABH-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611905 792559802 /nfs/dbraw/zinc/55/98/02/792559802.db2.gz RKPOVTVJBNMABH-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611905 792559803 /nfs/dbraw/zinc/55/98/03/792559803.db2.gz RKPOVTVJBNMABH-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942305 793033345 /nfs/dbraw/zinc/03/33/45/793033345.db2.gz NQROPLVGUHRJOG-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091808163 793279405 /nfs/dbraw/zinc/27/94/05/793279405.db2.gz ZXNDZJIBCXHJBD-UZLBHIALSA-N 2 1 336.439 2.060 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782607 794361548 /nfs/dbraw/zinc/36/15/48/794361548.db2.gz RUZGVXUTCQKEBO-IUODEOHRSA-N 2 1 332.835 2.385 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000999391262 794404298 /nfs/dbraw/zinc/40/42/98/794404298.db2.gz JPZGNLVHXUMVSY-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000999391262 794404306 /nfs/dbraw/zinc/40/43/06/794404306.db2.gz JPZGNLVHXUMVSY-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992504043 794433481 /nfs/dbraw/zinc/43/34/81/794433481.db2.gz GAWCYIOWCOLCCO-TZIWHRDSSA-N 2 1 339.483 2.498 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=C)C)CC3)CC1 ZINC000992510053 794453732 /nfs/dbraw/zinc/45/37/32/794453732.db2.gz OJENNPQOPALIDL-ICSRJNTNSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036755151 794786082 /nfs/dbraw/zinc/78/60/82/794786082.db2.gz ROYBFQRVAPYMEW-APWZRJJASA-N 2 1 336.439 2.202 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1ccccc1 ZINC001081118488 796659176 /nfs/dbraw/zinc/65/91/76/796659176.db2.gz GWCZTOUVMDNTBS-VNTMZGSJSA-N 2 1 341.499 2.487 20 30 EEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175295528 798051544 /nfs/dbraw/zinc/05/15/44/798051544.db2.gz GMBVBYXKODBRPD-SFHVURJKSA-N 2 1 329.488 2.059 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346259 798160119 /nfs/dbraw/zinc/16/01/19/798160119.db2.gz DHZHCVFEVCBDMS-QWFCFKBJSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346259 798160121 /nfs/dbraw/zinc/16/01/21/798160121.db2.gz DHZHCVFEVCBDMS-QWFCFKBJSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346259 798160123 /nfs/dbraw/zinc/16/01/23/798160123.db2.gz DHZHCVFEVCBDMS-QWFCFKBJSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC3CCC3)C[C@H]21 ZINC001084417941 798184888 /nfs/dbraw/zinc/18/48/88/798184888.db2.gz NGGWXUNEJFQTPD-HSALFYBXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC3CCC3)C[C@H]21 ZINC001084417941 798184890 /nfs/dbraw/zinc/18/48/90/798184890.db2.gz NGGWXUNEJFQTPD-HSALFYBXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]21 ZINC001084417941 798184901 /nfs/dbraw/zinc/18/49/01/798184901.db2.gz NGGWXUNEJFQTPD-HSALFYBXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001084417941 798184905 /nfs/dbraw/zinc/18/49/05/798184905.db2.gz NGGWXUNEJFQTPD-HSALFYBXSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401544 798383981 /nfs/dbraw/zinc/38/39/81/798383981.db2.gz VFIODIKJKDABIX-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401544 798383986 /nfs/dbraw/zinc/38/39/86/798383986.db2.gz VFIODIKJKDABIX-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401544 798383993 /nfs/dbraw/zinc/38/39/93/798383993.db2.gz VFIODIKJKDABIX-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401617 798384644 /nfs/dbraw/zinc/38/46/44/798384644.db2.gz VVHLPCZLMXRMJC-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401617 798384649 /nfs/dbraw/zinc/38/46/49/798384649.db2.gz VVHLPCZLMXRMJC-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401617 798384655 /nfs/dbraw/zinc/38/46/55/798384655.db2.gz VVHLPCZLMXRMJC-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001179655334 800022907 /nfs/dbraw/zinc/02/29/07/800022907.db2.gz WIRUQDZXXGBDKW-UXHICEINSA-N 2 1 341.499 2.231 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001180352879 800374248 /nfs/dbraw/zinc/37/42/48/800374248.db2.gz XKUCGMDMXUTYSJ-HDICACEKSA-N 2 1 339.524 2.328 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001085646837 800954824 /nfs/dbraw/zinc/95/48/24/800954824.db2.gz RVTJWGSYIIABMV-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001085646837 800954827 /nfs/dbraw/zinc/95/48/27/800954827.db2.gz RVTJWGSYIIABMV-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CC2(CCC2)C1 ZINC001085646837 800954830 /nfs/dbraw/zinc/95/48/30/800954830.db2.gz RVTJWGSYIIABMV-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CC2(CCC2)C1 ZINC001085646837 800954832 /nfs/dbraw/zinc/95/48/32/800954832.db2.gz RVTJWGSYIIABMV-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182775999 801347126 /nfs/dbraw/zinc/34/71/26/801347126.db2.gz QSBPCQNOGWSINU-VQIMIIECSA-N 2 1 330.476 2.104 20 30 EEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001184331132 801988070 /nfs/dbraw/zinc/98/80/70/801988070.db2.gz IIQYEOSUACPTRP-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621008 802255308 /nfs/dbraw/zinc/25/53/08/802255308.db2.gz GLVYMKKQBMAMNX-HSALFYBXSA-N 2 1 345.531 2.158 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621008 802255314 /nfs/dbraw/zinc/25/53/14/802255314.db2.gz GLVYMKKQBMAMNX-HSALFYBXSA-N 2 1 345.531 2.158 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621008 802255323 /nfs/dbraw/zinc/25/53/23/802255323.db2.gz GLVYMKKQBMAMNX-HSALFYBXSA-N 2 1 345.531 2.158 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004522562 802284537 /nfs/dbraw/zinc/28/45/37/802284537.db2.gz LLUYICGPNAXPBF-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004596532 802450239 /nfs/dbraw/zinc/45/02/39/802450239.db2.gz MWZOLOBQVOPHML-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004596532 802450247 /nfs/dbraw/zinc/45/02/47/802450247.db2.gz MWZOLOBQVOPHML-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004596532 802450250 /nfs/dbraw/zinc/45/02/50/802450250.db2.gz MWZOLOBQVOPHML-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946643056 802553422 /nfs/dbraw/zinc/55/34/22/802553422.db2.gz ZKTOLGGOBNLHKC-YRPNKDGESA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946643056 802553424 /nfs/dbraw/zinc/55/34/24/802553424.db2.gz ZKTOLGGOBNLHKC-YRPNKDGESA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946643056 802553431 /nfs/dbraw/zinc/55/34/31/802553431.db2.gz ZKTOLGGOBNLHKC-YRPNKDGESA-N 2 1 343.515 2.197 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662791 802723731 /nfs/dbraw/zinc/72/37/31/802723731.db2.gz OHHXHEZNHQMCIA-HDICACEKSA-N 2 1 331.504 2.361 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169808720 804084364 /nfs/dbraw/zinc/08/43/64/804084364.db2.gz DHAQLQQFWXXCNM-QFBILLFUSA-N 2 1 342.487 2.417 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001437026002 1088826103 /nfs/dbraw/zinc/82/61/03/1088826103.db2.gz ZJUITKLVKFDPAZ-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001437087534 1089035951 /nfs/dbraw/zinc/03/59/51/1089035951.db2.gz FLPLYRBXBAAHBO-UHFFFAOYSA-N 2 1 348.516 2.479 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC001445105373 1100330373 /nfs/dbraw/zinc/33/03/73/1100330373.db2.gz GDNVDVDDTNHPDW-KGLIPLIRSA-N 2 1 346.313 2.111 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001480536126 1100364814 /nfs/dbraw/zinc/36/48/14/1100364814.db2.gz CFPBJCFGGQAOKL-OAHLLOKOSA-N 2 1 330.476 2.130 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001446953651 1101651087 /nfs/dbraw/zinc/65/10/87/1101651087.db2.gz SVODNXMEYHETEP-LSDHHAIUSA-N 2 1 348.516 2.288 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001480708777 1106930325 /nfs/dbraw/zinc/93/03/25/1106930325.db2.gz QQIPLFRJDOCHIA-KBPBESRZSA-N 2 1 346.313 2.254 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001507293176 1115177432 /nfs/dbraw/zinc/17/74/32/1115177432.db2.gz PHKGVYKMFULASP-KBXCAEBGSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000442881787 267058907 /nfs/dbraw/zinc/05/89/07/267058907.db2.gz NZPZKKYVZVNLHV-SFHVURJKSA-N 2 1 331.460 2.500 20 30 EEEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000076965968 462928348 /nfs/dbraw/zinc/92/83/48/462928348.db2.gz YRCNXKGAVPEVFP-UHFFFAOYSA-N 2 1 334.508 2.337 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000119954931 462945015 /nfs/dbraw/zinc/94/50/15/462945015.db2.gz XBMWEIWSPOUHSJ-QGZVFWFLSA-N 2 1 336.524 2.304 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137448640 463293251 /nfs/dbraw/zinc/29/32/51/463293251.db2.gz FCJYMSWXSYFYPJ-YLJYHZDGSA-N 2 1 339.483 2.111 20 30 EEEDMP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261937457 463905908 /nfs/dbraw/zinc/90/59/08/463905908.db2.gz CSXZXGBFPUVKBN-NVXWUHKLSA-N 2 1 342.491 2.036 20 30 EEEDMP C=CCOc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1OC ZINC000289530635 464083605 /nfs/dbraw/zinc/08/36/05/464083605.db2.gz VZSDPMHLJUEEAM-UHFFFAOYSA-N 2 1 347.503 2.329 20 30 EEEDMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000264605891 464391556 /nfs/dbraw/zinc/39/15/56/464391556.db2.gz HEZWQDTWUATXTC-GOSISDBHSA-N 2 1 331.460 2.104 20 30 EEEDMP C#CC[N@@H+](CC)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000266958179 464884758 /nfs/dbraw/zinc/88/47/58/464884758.db2.gz VZUCLZFRAJTQSC-KRWDZBQOSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CC[N@H+](CC)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000266958179 464884761 /nfs/dbraw/zinc/88/47/61/464884761.db2.gz VZUCLZFRAJTQSC-KRWDZBQOSA-N 2 1 327.472 2.111 20 30 EEEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000304764809 466316138 /nfs/dbraw/zinc/31/61/38/466316138.db2.gz YLQHFQQERMCPAJ-MRXNPFEDSA-N 2 1 327.432 2.400 20 30 EEEDMP N#CC1(C[C@H](O)C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000528509516 467691642 /nfs/dbraw/zinc/69/16/42/467691642.db2.gz PWBVPLCJNPORMW-ZCNNSNEGSA-N 2 1 339.483 2.495 20 30 EEEDMP N#CC1(C[C@H](O)C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000528509516 467691644 /nfs/dbraw/zinc/69/16/44/467691644.db2.gz PWBVPLCJNPORMW-ZCNNSNEGSA-N 2 1 339.483 2.495 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000488801918 468105891 /nfs/dbraw/zinc/10/58/91/468105891.db2.gz QIHFBELFBBBEFR-SOLBZPMBSA-N 2 1 334.508 2.009 20 30 EEEDMP C=CCn1cccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000488985618 468114628 /nfs/dbraw/zinc/11/46/28/468114628.db2.gz RIRWSSCPJHIHQL-KRWDZBQOSA-N 2 1 332.492 2.162 20 30 EEEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600718257 468631752 /nfs/dbraw/zinc/63/17/52/468631752.db2.gz WOHDEMLWXMSEHG-IEBWSBKVSA-N 2 1 345.487 2.400 20 30 EEEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](C)CCC#N)CC2)CC1 ZINC000602461348 469325876 /nfs/dbraw/zinc/32/58/76/469325876.db2.gz KKOKSPUAXFBHAP-KRWDZBQOSA-N 2 1 334.508 2.192 20 30 EEEDMP CC(C)[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602535588 469353519 /nfs/dbraw/zinc/35/35/19/469353519.db2.gz QOKKWIUKJIQXDP-MOPGFXCFSA-N 2 1 342.487 2.377 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2cncn2C)C1 ZINC001039248304 676264820 /nfs/dbraw/zinc/26/48/20/676264820.db2.gz BDIMSZRFXSJGFK-HKUYNNGSSA-N 2 1 342.487 2.079 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637002 676292472 /nfs/dbraw/zinc/29/24/72/676292472.db2.gz VVIPSELAWKLMHS-APWZRJJASA-N 2 1 336.439 2.284 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737569 676395607 /nfs/dbraw/zinc/39/56/07/676395607.db2.gz VTVYPWLNUKUYIF-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737569 676395609 /nfs/dbraw/zinc/39/56/09/676395609.db2.gz VTVYPWLNUKUYIF-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001022166098 676713318 /nfs/dbraw/zinc/71/33/18/676713318.db2.gz KNWHXCPDDLCTIB-OTWHNJEPSA-N 2 1 340.471 2.169 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673210 676732483 /nfs/dbraw/zinc/73/24/83/676732483.db2.gz CVZVJDSQJRNWCK-CVEARBPZSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000971673210 676732484 /nfs/dbraw/zinc/73/24/84/676732484.db2.gz CVZVJDSQJRNWCK-CVEARBPZSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971673210 676732486 /nfs/dbraw/zinc/73/24/86/676732486.db2.gz CVZVJDSQJRNWCK-CVEARBPZSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971673210 676732487 /nfs/dbraw/zinc/73/24/87/676732487.db2.gz CVZVJDSQJRNWCK-CVEARBPZSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001022713818 678307396 /nfs/dbraw/zinc/30/73/96/678307396.db2.gz MWAGFVVHBQOGQX-DVOMOZLQSA-N 2 1 331.863 2.188 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCC(C)C)CC1 ZINC001024812429 681465574 /nfs/dbraw/zinc/46/55/74/681465574.db2.gz OSTMLZFHKNCRAT-LJQANCHMSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025241452 682300477 /nfs/dbraw/zinc/30/04/77/682300477.db2.gz XNVGQBOGCOBXPX-QZTJIDSGSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@@H+]2CCF)CC1 ZINC001025302127 682408461 /nfs/dbraw/zinc/40/84/61/682408461.db2.gz RWCPOWPHBLSHMF-RTBURBONSA-N 2 1 349.494 2.147 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028895960 682441224 /nfs/dbraw/zinc/44/12/24/682441224.db2.gz GAOMEOWZPKHRKV-MRXNPFEDSA-N 2 1 339.443 2.285 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028895960 682441231 /nfs/dbraw/zinc/44/12/31/682441231.db2.gz GAOMEOWZPKHRKV-MRXNPFEDSA-N 2 1 339.443 2.285 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025451522 682785948 /nfs/dbraw/zinc/78/59/48/682785948.db2.gz HRHSLUNXAUAINL-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000983901311 683742123 /nfs/dbraw/zinc/74/21/23/683742123.db2.gz MBKCPADZHPCICM-WDSOQIARSA-N 2 1 343.515 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000983901311 683742129 /nfs/dbraw/zinc/74/21/29/683742129.db2.gz MBKCPADZHPCICM-WDSOQIARSA-N 2 1 343.515 2.149 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000978843549 693942155 /nfs/dbraw/zinc/94/21/55/693942155.db2.gz FTQXIPZEFFMETP-LDLYASANSA-N 2 1 327.472 2.232 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C(C)(C)C1 ZINC000974877604 685654703 /nfs/dbraw/zinc/65/47/03/685654703.db2.gz DYFJWMFVHFVPFN-GOSISDBHSA-N 2 1 336.439 2.336 20 30 EEEDMP CC#CCN1C[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C(C)(C)C1 ZINC000974877604 685654706 /nfs/dbraw/zinc/65/47/06/685654706.db2.gz DYFJWMFVHFVPFN-GOSISDBHSA-N 2 1 336.439 2.336 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975079947 686103336 /nfs/dbraw/zinc/10/33/36/686103336.db2.gz NYTAYEFBHWRTDV-QYZOEREBSA-N 2 1 341.499 2.344 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975079947 686103337 /nfs/dbraw/zinc/10/33/37/686103337.db2.gz NYTAYEFBHWRTDV-QYZOEREBSA-N 2 1 341.499 2.344 20 30 EEEDMP C[NH+]=C(NCc1ccccc1Cl)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262470404 686251526 /nfs/dbraw/zinc/25/15/26/686251526.db2.gz ZYPJPSRONOCEDY-INIZCTEOSA-N 2 1 340.924 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000978907276 694008118 /nfs/dbraw/zinc/00/81/18/694008118.db2.gz NAPSGXFCUZGJDS-OSYLJGHBSA-N 2 1 339.911 2.153 20 30 EEEDMP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262490680 686377309 /nfs/dbraw/zinc/37/73/09/686377309.db2.gz XDMPJBMIGVJMJS-ZDUSSCGKSA-N 2 1 337.349 2.321 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001029843603 687297903 /nfs/dbraw/zinc/29/79/03/687297903.db2.gz KSFVSROZUIQERW-LPHOPBHVSA-N 2 1 342.487 2.179 20 30 EEEDMP CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000985655956 687404551 /nfs/dbraw/zinc/40/45/51/687404551.db2.gz KKTGCSSITXRXBN-IBGZPJMESA-N 2 1 342.487 2.321 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(CC)CC)C[C@H]32)CC1 ZINC000979088868 694170722 /nfs/dbraw/zinc/17/07/22/694170722.db2.gz NPYUFHIJVKWDHS-OWZKRDHZSA-N 2 1 345.531 2.062 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000987269705 689565924 /nfs/dbraw/zinc/56/59/24/689565924.db2.gz SLYRIWPBXRDDML-BBRMVZONSA-N 2 1 345.834 2.212 20 30 EEEDMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000263051691 691334153 /nfs/dbraw/zinc/33/41/53/691334153.db2.gz DNAVBVABFWAFEZ-AWEZNQCLSA-N 2 1 332.448 2.306 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990664065 693170853 /nfs/dbraw/zinc/17/08/53/693170853.db2.gz SSQILJFQKVBRAS-HFSMHLIXSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990664065 693170855 /nfs/dbraw/zinc/17/08/55/693170855.db2.gz SSQILJFQKVBRAS-HFSMHLIXSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990664065 693170858 /nfs/dbraw/zinc/17/08/58/693170858.db2.gz SSQILJFQKVBRAS-HFSMHLIXSA-N 2 1 343.515 2.387 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943772115 1192556227 /nfs/dbraw/zinc/55/62/27/1192556227.db2.gz QGGPYSUNDVWVLP-MAUKXSAKSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943772115 1192556230 /nfs/dbraw/zinc/55/62/30/1192556230.db2.gz QGGPYSUNDVWVLP-MAUKXSAKSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)C[NH+](CCCC(F)(F)F)C2 ZINC001271954560 1186703186 /nfs/dbraw/zinc/70/31/86/1186703186.db2.gz WPBNNISCODCWCM-UHFFFAOYSA-N 2 1 345.409 2.125 20 30 EEEDMP C=C(C)CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001105462084 1187526512 /nfs/dbraw/zinc/52/65/12/1187526512.db2.gz HVTGFQOXSBLTDF-FDYSRKEFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)CC[N@H+](C)CCC)CCO2 ZINC001105485392 1188102000 /nfs/dbraw/zinc/10/20/00/1188102000.db2.gz GLFWRLZOWGQZKQ-UHFFFAOYSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105574710 1188188719 /nfs/dbraw/zinc/18/87/19/1188188719.db2.gz FQJNIDASAMESGH-RTBURBONSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168346446 1188313729 /nfs/dbraw/zinc/31/37/29/1188313729.db2.gz ZJEDBTAOQLRIIA-SFHVURJKSA-N 2 1 327.472 2.189 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273039351 1194343908 /nfs/dbraw/zinc/34/39/08/1194343908.db2.gz OWVMAWBPAVEJHW-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365964 1194481112 /nfs/dbraw/zinc/48/11/12/1194481112.db2.gz RWSGHTQTZIAXRN-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365964 1194481114 /nfs/dbraw/zinc/48/11/14/1194481114.db2.gz RWSGHTQTZIAXRN-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365964 1194481117 /nfs/dbraw/zinc/48/11/17/1194481117.db2.gz RWSGHTQTZIAXRN-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCC3CC3)C2)CC1 ZINC001034538858 1196362313 /nfs/dbraw/zinc/36/23/13/1196362313.db2.gz SRGMIFJIVZQKQL-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC001034792040 1196734783 /nfs/dbraw/zinc/73/47/83/1196734783.db2.gz CQAGXOFJMOBVKK-RBSFLKMASA-N 2 1 346.500 2.088 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC001034961965 1196942628 /nfs/dbraw/zinc/94/26/28/1196942628.db2.gz CBGODMOTORIGJL-MSOLQXFVSA-N 2 1 345.512 2.235 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC001034961965 1196942631 /nfs/dbraw/zinc/94/26/31/1196942631.db2.gz CBGODMOTORIGJL-MSOLQXFVSA-N 2 1 345.512 2.235 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126518 1199334634 /nfs/dbraw/zinc/33/46/34/1199334634.db2.gz VPSICQCISBISOH-UHOSZYNNSA-N 2 1 329.488 2.392 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001086721422 1199506580 /nfs/dbraw/zinc/50/65/80/1199506580.db2.gz YNLOYEOAWPTTSX-JQHSSLGASA-N 2 1 345.512 2.220 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001086721422 1199506585 /nfs/dbraw/zinc/50/65/85/1199506585.db2.gz YNLOYEOAWPTTSX-JQHSSLGASA-N 2 1 345.512 2.220 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccccc1C#N ZINC001132270082 1199510194 /nfs/dbraw/zinc/51/01/94/1199510194.db2.gz QKDBABINMWARLI-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1C#N ZINC001132270082 1199510200 /nfs/dbraw/zinc/51/02/00/1199510200.db2.gz QKDBABINMWARLI-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310910 1199561466 /nfs/dbraw/zinc/56/14/66/1199561466.db2.gz PYSCJVPASZINMF-QUCCMNQESA-N 2 1 341.499 2.153 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310910 1199561472 /nfs/dbraw/zinc/56/14/72/1199561472.db2.gz PYSCJVPASZINMF-QUCCMNQESA-N 2 1 341.499 2.153 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310910 1199561477 /nfs/dbraw/zinc/56/14/77/1199561477.db2.gz PYSCJVPASZINMF-QUCCMNQESA-N 2 1 341.499 2.153 20 30 EEEDMP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134613937 1199690642 /nfs/dbraw/zinc/69/06/42/1199690642.db2.gz YYGYXYQCQFHXHS-JKSUJKDBSA-N 2 1 342.487 2.415 20 30 EEEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133145955 1200519432 /nfs/dbraw/zinc/51/94/32/1200519432.db2.gz FSZJXBTUQYCKCX-IRXDYDNUSA-N 2 1 330.476 2.104 20 30 EEEDMP COc1cccc([C@@H](CNC(=[NH2+])N2CCSCC2)[NH+]2CCCC2)c1 ZINC000104155842 1204610662 /nfs/dbraw/zinc/61/06/62/1204610662.db2.gz TUBBTSVRAVZEIE-QGZVFWFLSA-N 2 1 348.516 2.196 20 30 EEEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)nc1 ZINC001275032371 1205239203 /nfs/dbraw/zinc/23/92/03/1205239203.db2.gz NSTPSXGJCDELTI-UHFFFAOYSA-N 2 1 336.443 2.164 20 30 EEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001275959619 1205603569 /nfs/dbraw/zinc/60/35/69/1205603569.db2.gz FZUMOYYKMFPXCK-PMACEKPBSA-N 2 1 329.488 2.462 20 30 EEEDMP C=CCNC(=O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925978556 1206177509 /nfs/dbraw/zinc/17/75/09/1206177509.db2.gz DVCVZASDEAYZIH-YQQQUEKLSA-N 2 1 327.472 2.464 20 30 EEEDMP C=CCNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925978556 1206177510 /nfs/dbraw/zinc/17/75/10/1206177510.db2.gz DVCVZASDEAYZIH-YQQQUEKLSA-N 2 1 327.472 2.464 20 30 EEEDMP C=CCNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925978556 1206177511 /nfs/dbraw/zinc/17/75/11/1206177511.db2.gz DVCVZASDEAYZIH-YQQQUEKLSA-N 2 1 327.472 2.464 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C2 ZINC001111040710 1207676467 /nfs/dbraw/zinc/67/64/67/1207676467.db2.gz XOQIUYMKAGULIA-HHARLNAUSA-N 2 1 328.460 2.211 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947722619 1208686646 /nfs/dbraw/zinc/68/66/46/1208686646.db2.gz KTIWCTCILIBLKT-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947722619 1208686649 /nfs/dbraw/zinc/68/66/49/1208686649.db2.gz KTIWCTCILIBLKT-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947722619 1208686643 /nfs/dbraw/zinc/68/66/43/1208686643.db2.gz KTIWCTCILIBLKT-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947722619 1208686651 /nfs/dbraw/zinc/68/66/51/1208686651.db2.gz KTIWCTCILIBLKT-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000948565966 1209226082 /nfs/dbraw/zinc/22/60/82/1209226082.db2.gz IUHFVLUCIIVSCX-SJORKVTESA-N 2 1 342.487 2.159 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000948565966 1209226086 /nfs/dbraw/zinc/22/60/86/1209226086.db2.gz IUHFVLUCIIVSCX-SJORKVTESA-N 2 1 342.487 2.159 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Cc1ccc(OC)cc1 ZINC000305701460 1216989668 /nfs/dbraw/zinc/98/96/68/1216989668.db2.gz PRBTWUIBFSVIDS-RDJZCZTQSA-N 2 1 332.492 2.262 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224933 1217097127 /nfs/dbraw/zinc/09/71/27/1217097127.db2.gz FJLWFMNVTLWFBH-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961243615 1217105921 /nfs/dbraw/zinc/10/59/21/1217105921.db2.gz QAGZYNQSQXHBPD-QZTJIDSGSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961243615 1217105923 /nfs/dbraw/zinc/10/59/23/1217105923.db2.gz QAGZYNQSQXHBPD-QZTJIDSGSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961261134 1217116110 /nfs/dbraw/zinc/11/61/10/1217116110.db2.gz MTGCRFIOFDSYBF-WOJBJXKFSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961293306 1217132332 /nfs/dbraw/zinc/13/23/32/1217132332.db2.gz NVVGZEOERYYBQG-PMACEKPBSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961441088 1217191074 /nfs/dbraw/zinc/19/10/74/1217191074.db2.gz NXLMYGDHPFIXKL-LJQANCHMSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961441088 1217191075 /nfs/dbraw/zinc/19/10/75/1217191075.db2.gz NXLMYGDHPFIXKL-LJQANCHMSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000963809205 1218050379 /nfs/dbraw/zinc/05/03/79/1218050379.db2.gz XMQAUJQLPJPPBZ-GUYFDXGHSA-N 2 1 343.515 2.291 20 30 EEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000965816822 1219264333 /nfs/dbraw/zinc/26/43/33/1219264333.db2.gz UTBWBOFBIHCWLM-QAELIBMJSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680643 1221486751 /nfs/dbraw/zinc/48/67/51/1221486751.db2.gz CEJBLVXSVMGUPZ-LPHOPBHVSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001007520042 1222274685 /nfs/dbraw/zinc/27/46/85/1222274685.db2.gz WTTJKCSNCFCQBY-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277735 1222731753 /nfs/dbraw/zinc/73/17/53/1222731753.db2.gz VXPSPNKQYJQEGS-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008277735 1222731755 /nfs/dbraw/zinc/73/17/55/1222731755.db2.gz VXPSPNKQYJQEGS-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008277735 1222731758 /nfs/dbraw/zinc/73/17/58/1222731758.db2.gz VXPSPNKQYJQEGS-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001008539430 1222915696 /nfs/dbraw/zinc/91/56/96/1222915696.db2.gz KJALNDYDSAMARK-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001008539430 1222915698 /nfs/dbraw/zinc/91/56/98/1222915698.db2.gz KJALNDYDSAMARK-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001009626653 1223308278 /nfs/dbraw/zinc/30/82/78/1223308278.db2.gz JVNNQBJJJFTYHR-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001009631417 1223310636 /nfs/dbraw/zinc/31/06/36/1223310636.db2.gz YERTZSSJSCSDGW-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016663878 1226748908 /nfs/dbraw/zinc/74/89/08/1226748908.db2.gz VZXFKPXLDGKPOS-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016858163 1226925774 /nfs/dbraw/zinc/92/57/74/1226925774.db2.gz BYSJIEJWWUTJPJ-MRXNPFEDSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCCC2CCC2)CC1 ZINC001039041397 1230257136 /nfs/dbraw/zinc/25/71/36/1230257136.db2.gz CGTIVHVUOULLSG-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C)c2)CC1 ZINC001039042171 1230258508 /nfs/dbraw/zinc/25/85/08/1230258508.db2.gz MUOVSIVRCVJICO-FQEVSTJZSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CC[N@H+](CCC)C3)CC2)CC1 ZINC001039181936 1230408551 /nfs/dbraw/zinc/40/85/51/1230408551.db2.gz FJSBJNMDIFFZFG-FQEVSTJZSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247002 1230482166 /nfs/dbraw/zinc/48/21/66/1230482166.db2.gz SONXBQUCEICNDI-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001039422700 1230600476 /nfs/dbraw/zinc/60/04/76/1230600476.db2.gz LJULBFZNMZTAHU-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001039422700 1230600480 /nfs/dbraw/zinc/60/04/80/1230600480.db2.gz LJULBFZNMZTAHU-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001039422700 1230600481 /nfs/dbraw/zinc/60/04/81/1230600481.db2.gz LJULBFZNMZTAHU-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001039422700 1230600485 /nfs/dbraw/zinc/60/04/85/1230600485.db2.gz LJULBFZNMZTAHU-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387894 1231200228 /nfs/dbraw/zinc/20/02/28/1231200228.db2.gz GGAONEQDLCKVFI-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001041477637 1231559399 /nfs/dbraw/zinc/55/93/99/1231559399.db2.gz BCIKAGJTXQHPPS-FQEVSTJZSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001041477637 1231559401 /nfs/dbraw/zinc/55/94/01/1231559401.db2.gz BCIKAGJTXQHPPS-FQEVSTJZSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041776379 1231688570 /nfs/dbraw/zinc/68/85/70/1231688570.db2.gz ANNBRMVEFMOTPA-FQEVSTJZSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001041852867 1231733619 /nfs/dbraw/zinc/73/36/19/1231733619.db2.gz YSPZKHYAUYDNGY-FQEVSTJZSA-N 2 1 343.471 2.293 20 30 EEEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441249 1233747461 /nfs/dbraw/zinc/74/74/61/1233747461.db2.gz BTLBROSBSBSQPJ-KRWDZBQOSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC2CCC2)CC1 ZINC001045895248 1234127086 /nfs/dbraw/zinc/12/70/86/1234127086.db2.gz BTHOEBJPIQOQSD-UXHICEINSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961899 1234238333 /nfs/dbraw/zinc/23/83/33/1234238333.db2.gz UHTHFCBGVJAFRH-ZJOUEHCJSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045961899 1234238334 /nfs/dbraw/zinc/23/83/34/1234238334.db2.gz UHTHFCBGVJAFRH-ZJOUEHCJSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045961899 1234238337 /nfs/dbraw/zinc/23/83/37/1234238337.db2.gz UHTHFCBGVJAFRH-ZJOUEHCJSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970195 1234253324 /nfs/dbraw/zinc/25/33/24/1234253324.db2.gz CMNUEBNDOCQSPO-NRFANRHFSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@]3(CC[N@H+](C(C)C)C3)C2)CC1 ZINC001045986147 1234281558 /nfs/dbraw/zinc/28/15/58/1234281558.db2.gz IACFPWVIBRWQEV-NRFANRHFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046963984 1235365171 /nfs/dbraw/zinc/36/51/71/1235365171.db2.gz KZKDOVXTZGYSCR-HZPDHXFCSA-N 2 1 343.462 2.368 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046963984 1235365173 /nfs/dbraw/zinc/36/51/73/1235365173.db2.gz KZKDOVXTZGYSCR-HZPDHXFCSA-N 2 1 343.462 2.368 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046963984 1235365175 /nfs/dbraw/zinc/36/51/75/1235365175.db2.gz KZKDOVXTZGYSCR-HZPDHXFCSA-N 2 1 343.462 2.368 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047226773 1235701496 /nfs/dbraw/zinc/70/14/96/1235701496.db2.gz XHYHFWUGZQIJTA-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047255592 1235758794 /nfs/dbraw/zinc/75/87/94/1235758794.db2.gz BGASKGQXHJISOT-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047255813 1235758800 /nfs/dbraw/zinc/75/88/00/1235758800.db2.gz DONYQDCQAQYGOM-AZUAARDMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263224 1235773345 /nfs/dbraw/zinc/77/33/45/1235773345.db2.gz CBLUHLNCZGKWQM-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263497 1235773634 /nfs/dbraw/zinc/77/36/34/1235773634.db2.gz HOOBPVXEAYBVIW-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001047265973 1235780170 /nfs/dbraw/zinc/78/01/70/1235780170.db2.gz NATNIHCOXWHPCK-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525114 1237859890 /nfs/dbraw/zinc/85/98/90/1237859890.db2.gz LLZSHGJAZSZEDA-OMZCGLGVSA-N 2 1 343.515 2.243 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)C2 ZINC001048525114 1237859900 /nfs/dbraw/zinc/85/99/00/1237859900.db2.gz LLZSHGJAZSZEDA-OMZCGLGVSA-N 2 1 343.515 2.243 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)C2 ZINC001048525114 1237859910 /nfs/dbraw/zinc/85/99/10/1237859910.db2.gz LLZSHGJAZSZEDA-OMZCGLGVSA-N 2 1 343.515 2.243 20 30 EEEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048563043 1237972274 /nfs/dbraw/zinc/97/22/74/1237972274.db2.gz TXBOXQGUVDGXKB-USACIQFYSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048563043 1237972278 /nfs/dbraw/zinc/97/22/78/1237972278.db2.gz TXBOXQGUVDGXKB-USACIQFYSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048563043 1237972280 /nfs/dbraw/zinc/97/22/80/1237972280.db2.gz TXBOXQGUVDGXKB-USACIQFYSA-N 2 1 339.911 2.296 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574234 1237998189 /nfs/dbraw/zinc/99/81/89/1237998189.db2.gz STMPAQSDNFGQRX-OUUBHVDSSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048574234 1237998191 /nfs/dbraw/zinc/99/81/91/1237998191.db2.gz STMPAQSDNFGQRX-OUUBHVDSSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048574234 1237998199 /nfs/dbraw/zinc/99/81/99/1237998199.db2.gz STMPAQSDNFGQRX-OUUBHVDSSA-N 2 1 343.515 2.386 20 30 EEEDMP C=C(Cl)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049482319 1241087235 /nfs/dbraw/zinc/08/72/35/1241087235.db2.gz MLXQRKOBDKJDJO-LVQVYYBASA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049482319 1241087247 /nfs/dbraw/zinc/08/72/47/1241087247.db2.gz MLXQRKOBDKJDJO-LVQVYYBASA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049482319 1241087256 /nfs/dbraw/zinc/08/72/56/1241087256.db2.gz MLXQRKOBDKJDJO-LVQVYYBASA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049482319 1241087265 /nfs/dbraw/zinc/08/72/65/1241087265.db2.gz MLXQRKOBDKJDJO-LVQVYYBASA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049482319 1241087273 /nfs/dbraw/zinc/08/72/73/1241087273.db2.gz MLXQRKOBDKJDJO-LVQVYYBASA-N 2 1 325.884 2.144 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514405 1241189272 /nfs/dbraw/zinc/18/92/72/1241189272.db2.gz DQQALFHRAYYBAH-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049514405 1241189282 /nfs/dbraw/zinc/18/92/82/1241189282.db2.gz DQQALFHRAYYBAH-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514405 1241189289 /nfs/dbraw/zinc/18/92/89/1241189289.db2.gz DQQALFHRAYYBAH-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001049720690 1241989495 /nfs/dbraw/zinc/98/94/95/1241989495.db2.gz SJHPMXIDJUTNNB-ROUUACIJSA-N 2 1 344.459 2.135 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001049720690 1241989502 /nfs/dbraw/zinc/98/95/02/1241989502.db2.gz SJHPMXIDJUTNNB-ROUUACIJSA-N 2 1 344.459 2.135 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761151 1242117440 /nfs/dbraw/zinc/11/74/40/1242117440.db2.gz FXZFBZWVCKJYKX-ROUUACIJSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761151 1242117446 /nfs/dbraw/zinc/11/74/46/1242117446.db2.gz FXZFBZWVCKJYKX-ROUUACIJSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820683 1242305257 /nfs/dbraw/zinc/30/52/57/1242305257.db2.gz MEIDMFQQDHBZAQ-MOPGFXCFSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073461603 1242504176 /nfs/dbraw/zinc/50/41/76/1242504176.db2.gz GPZWPSBBFHKNQP-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052789591 1244990485 /nfs/dbraw/zinc/99/04/85/1244990485.db2.gz YUUZNFIMDKBNKL-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CCO2 ZINC001053286844 1246142981 /nfs/dbraw/zinc/14/29/81/1246142981.db2.gz FOLXXZBBHFVGSK-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CCO2 ZINC001053286844 1246142984 /nfs/dbraw/zinc/14/29/84/1246142984.db2.gz FOLXXZBBHFVGSK-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054050851 1247240653 /nfs/dbraw/zinc/24/06/53/1247240653.db2.gz NFSAKBXLWISPNC-FQEVSTJZSA-N 2 1 341.499 2.447 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054222559 1247760168 /nfs/dbraw/zinc/76/01/68/1247760168.db2.gz DRFPVLZRPUKIKE-NRFANRHFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054228717 1247784745 /nfs/dbraw/zinc/78/47/45/1247784745.db2.gz XZBDPTXETULARL-QGZVFWFLSA-N 2 1 337.895 2.149 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071937514 1254830905 /nfs/dbraw/zinc/83/09/05/1254830905.db2.gz CKXGSYROJHOAAG-WBVHZDCISA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071937514 1254830910 /nfs/dbraw/zinc/83/09/10/1254830910.db2.gz CKXGSYROJHOAAG-WBVHZDCISA-N 2 1 339.443 2.426 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099115990 1257976322 /nfs/dbraw/zinc/97/63/22/1257976322.db2.gz MHAZLYNHDCITNE-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115990 1257976328 /nfs/dbraw/zinc/97/63/28/1257976328.db2.gz MHAZLYNHDCITNE-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115990 1257976332 /nfs/dbraw/zinc/97/63/32/1257976332.db2.gz MHAZLYNHDCITNE-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099262031 1258048080 /nfs/dbraw/zinc/04/80/80/1258048080.db2.gz BMHLMRBFYJKLMT-RBSFLKMASA-N 2 1 347.425 2.414 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099556029 1258205487 /nfs/dbraw/zinc/20/54/87/1258205487.db2.gz FCTMUSRIGUSOBX-MANSERQUSA-N 2 1 333.520 2.462 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556029 1258205491 /nfs/dbraw/zinc/20/54/91/1258205491.db2.gz FCTMUSRIGUSOBX-MANSERQUSA-N 2 1 333.520 2.462 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556029 1258205493 /nfs/dbraw/zinc/20/54/93/1258205493.db2.gz FCTMUSRIGUSOBX-MANSERQUSA-N 2 1 333.520 2.462 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001100898568 1259410497 /nfs/dbraw/zinc/41/04/97/1259410497.db2.gz NXGVYZDKTZQWLS-UHFFFAOYSA-N 2 1 348.516 2.336 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187035163 1279375093 /nfs/dbraw/zinc/37/50/93/1279375093.db2.gz WCQIQUMRONTTAE-MOPGFXCFSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258568 1280761177 /nfs/dbraw/zinc/76/11/77/1280761177.db2.gz KNYJNXPOAXTBBG-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258568 1280761187 /nfs/dbraw/zinc/76/11/87/1280761187.db2.gz KNYJNXPOAXTBBG-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001190258568 1280761195 /nfs/dbraw/zinc/76/11/95/1280761195.db2.gz KNYJNXPOAXTBBG-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001190258568 1280761203 /nfs/dbraw/zinc/76/12/03/1280761203.db2.gz KNYJNXPOAXTBBG-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001201321570 1289478902 /nfs/dbraw/zinc/47/89/02/1289478902.db2.gz PRQYEXWPABNTRS-UHFFFAOYSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001213336273 1295984323 /nfs/dbraw/zinc/98/43/23/1295984323.db2.gz URXOPJHCXLJYSB-DJIMGWMZSA-N 2 1 349.475 2.125 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001213336273 1295984334 /nfs/dbraw/zinc/98/43/34/1295984334.db2.gz URXOPJHCXLJYSB-DJIMGWMZSA-N 2 1 349.475 2.125 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598732 1296103613 /nfs/dbraw/zinc/10/36/13/1296103613.db2.gz LRSXGQUYBBYVFB-IAGOWNOFSA-N 2 1 327.513 2.114 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C\CCC)C1 ZINC001214880917 1296633487 /nfs/dbraw/zinc/63/34/87/1296633487.db2.gz YTEYBXGYDSDCFK-MOZIWPGPSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C\CCC)C1 ZINC001214880917 1296633505 /nfs/dbraw/zinc/63/35/05/1296633505.db2.gz YTEYBXGYDSDCFK-MOZIWPGPSA-N 2 1 331.504 2.267 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049397 1297917856 /nfs/dbraw/zinc/91/78/56/1297917856.db2.gz LYUOJXUZKOBHLS-GBESFXJTSA-N 2 1 349.519 2.129 20 30 EEEDMP C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)C[NH2+]CCC[NH3+] ZINC001219483580 1298038114 /nfs/dbraw/zinc/03/81/14/1298038114.db2.gz ZVKNROKTRXLAJS-UHFFFAOYSA-N 2 1 337.927 2.446 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001221942389 1299215283 /nfs/dbraw/zinc/21/52/83/1299215283.db2.gz KHQMSLRSKJEMNA-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899846 1299472553 /nfs/dbraw/zinc/47/25/53/1299472553.db2.gz YZSWAMKDSHUSCL-IAGOWNOFSA-N 2 1 339.524 2.015 20 30 EEEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899846 1299472562 /nfs/dbraw/zinc/47/25/62/1299472562.db2.gz YZSWAMKDSHUSCL-IAGOWNOFSA-N 2 1 339.524 2.015 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899846 1299472572 /nfs/dbraw/zinc/47/25/72/1299472572.db2.gz YZSWAMKDSHUSCL-IAGOWNOFSA-N 2 1 339.524 2.015 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799403 1299867688 /nfs/dbraw/zinc/86/76/88/1299867688.db2.gz JAWPCDFDDZFNHC-OAGGEKHMSA-N 2 1 345.890 2.342 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799403 1299867694 /nfs/dbraw/zinc/86/76/94/1299867694.db2.gz JAWPCDFDDZFNHC-OAGGEKHMSA-N 2 1 345.890 2.342 20 30 EEEDMP N#Cc1cc[nH]c1C[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001276840927 1299875910 /nfs/dbraw/zinc/87/59/10/1299875910.db2.gz ZQQDNGCHHKNXMH-UHFFFAOYSA-N 2 1 338.459 2.071 20 30 EEEDMP N#Cc1cc[nH]c1C[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001276840927 1299875919 /nfs/dbraw/zinc/87/59/19/1299875919.db2.gz ZQQDNGCHHKNXMH-UHFFFAOYSA-N 2 1 338.459 2.071 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCC(C)C)CC1 ZINC001223494913 1300153727 /nfs/dbraw/zinc/15/37/27/1300153727.db2.gz FTKJSSXZEHOVSD-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCC(C)C)CC1 ZINC001223494913 1300153720 /nfs/dbraw/zinc/15/37/20/1300153720.db2.gz FTKJSSXZEHOVSD-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001225088213 1300885304 /nfs/dbraw/zinc/88/53/04/1300885304.db2.gz XUOXUFCHDADBRT-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372749 1300952146 /nfs/dbraw/zinc/95/21/46/1300952146.db2.gz NNOFSTUNCUWGJM-IIDMSEBBSA-N 2 1 325.472 2.069 20 30 EEEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372749 1300952148 /nfs/dbraw/zinc/95/21/48/1300952148.db2.gz NNOFSTUNCUWGJM-IIDMSEBBSA-N 2 1 325.472 2.069 20 30 EEEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372749 1300952150 /nfs/dbraw/zinc/95/21/50/1300952150.db2.gz NNOFSTUNCUWGJM-IIDMSEBBSA-N 2 1 325.472 2.069 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001103007744 1302058168 /nfs/dbraw/zinc/05/81/68/1302058168.db2.gz VAVWOLNZNUYBMC-IXDOHACOSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001103007744 1302058179 /nfs/dbraw/zinc/05/81/79/1302058179.db2.gz VAVWOLNZNUYBMC-IXDOHACOSA-N 2 1 330.476 2.104 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001103049746 1302129985 /nfs/dbraw/zinc/12/99/85/1302129985.db2.gz CKNHYGZWOOTDDN-BRWVUGGUSA-N 2 1 327.488 2.317 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111699 1302249058 /nfs/dbraw/zinc/24/90/58/1302249058.db2.gz JNSPKQAIYLVOCG-BMFZPTHFSA-N 2 1 329.916 2.399 20 30 EEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376059 1302861203 /nfs/dbraw/zinc/86/12/03/1302861203.db2.gz IYVWFUUKXWVIDO-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376059 1302861214 /nfs/dbraw/zinc/86/12/14/1302861214.db2.gz IYVWFUUKXWVIDO-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001230113196 1303069074 /nfs/dbraw/zinc/06/90/74/1303069074.db2.gz WQPXVUSJRGGOJT-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001230113196 1303069078 /nfs/dbraw/zinc/06/90/78/1303069078.db2.gz WQPXVUSJRGGOJT-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCN1CC[C@@]2(C[N@@H+](CCCC[NH3+])C[C@@H]2c2ccccc2)C1=O ZINC001235497475 1305253622 /nfs/dbraw/zinc/25/36/22/1305253622.db2.gz JUQFDBSYBVNMTK-QUCCMNQESA-N 2 1 327.472 2.229 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571938 1305391477 /nfs/dbraw/zinc/39/14/77/1305391477.db2.gz VXAFSMJDXIBOGG-SFHVURJKSA-N 2 1 333.520 2.396 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c1 ZINC001160866296 1320296029 /nfs/dbraw/zinc/29/60/29/1320296029.db2.gz AMPYTYPYFBGDDG-RBUKOAKNSA-N 2 1 340.471 2.171 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001151174531 1316466657 /nfs/dbraw/zinc/46/66/57/1316466657.db2.gz DKTCLHZSLTZSGT-ROUUACIJSA-N 2 1 349.519 2.177 20 30 EEEDMP C[NH+](C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC001152528686 1316684249 /nfs/dbraw/zinc/68/42/49/1316684249.db2.gz LCCFESKPYMBPPH-QGZVFWFLSA-N 2 1 342.468 2.128 20 30 EEEDMP C=C[C@@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001253580728 1317886720 /nfs/dbraw/zinc/88/67/20/1317886720.db2.gz FFPARHHRJPNXNP-LJQANCHMSA-N 2 1 330.472 2.209 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255663291 1318508879 /nfs/dbraw/zinc/50/88/79/1318508879.db2.gz CMDKNUNOXVRDPG-MVCQKVDPSA-N 2 1 341.499 2.497 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255663291 1318508889 /nfs/dbraw/zinc/50/88/89/1318508889.db2.gz CMDKNUNOXVRDPG-MVCQKVDPSA-N 2 1 341.499 2.497 20 30 EEEDMP N#Cc1ccc(N2CCCN(C3CC[NH+](C4CC4)CC3)CC2)nc1 ZINC001256079830 1318640634 /nfs/dbraw/zinc/64/06/34/1318640634.db2.gz OTXGRSSYZIQYOQ-UHFFFAOYSA-N 2 1 325.460 2.092 20 30 EEEDMP COC(=O)[C@@H](CCC[NH3+])[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257011559 1318918094 /nfs/dbraw/zinc/91/80/94/1318918094.db2.gz SILKQYWSGPACMM-DAWZGUTISA-N 2 1 329.444 2.455 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001159908714 1320018030 /nfs/dbraw/zinc/01/80/30/1320018030.db2.gz JCJHWJTXWGBFDU-IBGZPJMESA-N 2 1 342.487 2.417 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160352236 1320141032 /nfs/dbraw/zinc/14/10/32/1320141032.db2.gz DWASSHGGPYNOBN-MRXNPFEDSA-N 2 1 325.884 2.218 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160352236 1320141037 /nfs/dbraw/zinc/14/10/37/1320141037.db2.gz DWASSHGGPYNOBN-MRXNPFEDSA-N 2 1 325.884 2.218 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001161649464 1320570373 /nfs/dbraw/zinc/57/03/73/1320570373.db2.gz JEDVFTVGFGEGRG-IBGZPJMESA-N 2 1 342.487 2.275 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001161649831 1320571246 /nfs/dbraw/zinc/57/12/46/1320571246.db2.gz XXLRQRZEDFUGAQ-HXUWFJFHSA-N 2 1 341.499 2.254 20 30 EEEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001162934946 1320991108 /nfs/dbraw/zinc/99/11/08/1320991108.db2.gz MIZZOMGWJYABLD-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001164449268 1321381719 /nfs/dbraw/zinc/38/17/19/1321381719.db2.gz GKEUJKQAANRLHM-LJQANCHMSA-N 2 1 342.487 2.276 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC001204495227 1322156488 /nfs/dbraw/zinc/15/64/88/1322156488.db2.gz XPPNAFQWVCLKKI-UHFFFAOYSA-N 2 1 341.499 2.413 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001207761074 1324133333 /nfs/dbraw/zinc/13/33/33/1324133333.db2.gz GKCHIWNSBMMBPF-DDUZABMNSA-N 2 1 330.476 2.226 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331272 1324430777 /nfs/dbraw/zinc/43/07/77/1324430777.db2.gz PBNKEYJGQLUTLO-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC001335367477 1336367757 /nfs/dbraw/zinc/36/77/57/1336367757.db2.gz MTFIFMOMUOEBMH-ROUUACIJSA-N 2 1 348.487 2.095 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCCO1 ZINC001200704719 1338536256 /nfs/dbraw/zinc/53/62/56/1338536256.db2.gz PFNJBCYSPJNGGQ-WMZOPIPTSA-N 2 1 337.508 2.033 20 30 EEEDMP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001676169436 1357115428 /nfs/dbraw/zinc/11/54/28/1357115428.db2.gz MDEKCULSTJPMJS-WOJBJXKFSA-N 2 1 341.499 2.253 20 30 EEEDMP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001669833122 1356219756 /nfs/dbraw/zinc/21/97/56/1356219756.db2.gz OBVDVGITLZSQOY-CRAIPNDOSA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001669833122 1356219761 /nfs/dbraw/zinc/21/97/61/1356219761.db2.gz OBVDVGITLZSQOY-CRAIPNDOSA-N 2 1 349.906 2.468 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC#CC)CC1CCCC1 ZINC001177342053 1368132805 /nfs/dbraw/zinc/13/28/05/1368132805.db2.gz ICECPMYQPWLFPC-FQEVSTJZSA-N 2 1 343.515 2.106 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC#CC)CC1CCCC1 ZINC001177342053 1368132811 /nfs/dbraw/zinc/13/28/11/1368132811.db2.gz ICECPMYQPWLFPC-FQEVSTJZSA-N 2 1 343.515 2.106 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001112382144 1371426894 /nfs/dbraw/zinc/42/68/94/1371426894.db2.gz HTRGBFGJFDNGTE-NSHGMRRFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC001115772988 1371706765 /nfs/dbraw/zinc/70/67/65/1371706765.db2.gz DZMKZVGDKGQOSF-UHFFFAOYSA-N 2 1 330.476 2.404 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100415246 1373039832 /nfs/dbraw/zinc/03/98/32/1373039832.db2.gz GVCLOILIFFYHGO-ABHNRTSZSA-N 2 1 333.520 2.395 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100415246 1373039836 /nfs/dbraw/zinc/03/98/36/1373039836.db2.gz GVCLOILIFFYHGO-ABHNRTSZSA-N 2 1 333.520 2.395 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001366443254 1373900361 /nfs/dbraw/zinc/90/03/61/1373900361.db2.gz XYWJHXOKXKGQRB-MOPGFXCFSA-N 2 1 342.487 2.417 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1F ZINC001371365317 1375412956 /nfs/dbraw/zinc/41/29/56/1375412956.db2.gz QIKOWBROMVAIRB-CQSZACIVSA-N 2 1 348.466 2.270 20 30 EEEDMP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC001372425211 1375996777 /nfs/dbraw/zinc/99/67/77/1375996777.db2.gz ZCYOBNHREYTAIW-UHFFFAOYSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC001372425211 1375996782 /nfs/dbraw/zinc/99/67/82/1375996782.db2.gz ZCYOBNHREYTAIW-UHFFFAOYSA-N 2 1 348.516 2.290 20 30 EEEDMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001373682316 1376553101 /nfs/dbraw/zinc/55/31/01/1376553101.db2.gz ZIBOOHFDVLBUQY-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001373682316 1376553110 /nfs/dbraw/zinc/55/31/10/1376553110.db2.gz ZIBOOHFDVLBUQY-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001376154046 1378333610 /nfs/dbraw/zinc/33/36/10/1378333610.db2.gz GAZBNNIIKINZRG-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP C=C(Br)C[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001377771772 1379508058 /nfs/dbraw/zinc/50/80/58/1379508058.db2.gz VBUDVZSAAVDDJO-CQSZACIVSA-N 2 1 346.313 2.017 20 30 EEEDMP C=C(Br)C[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001377771772 1379508062 /nfs/dbraw/zinc/50/80/62/1379508062.db2.gz VBUDVZSAAVDDJO-CQSZACIVSA-N 2 1 346.313 2.017 20 30 EEEDMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001378248618 1379819399 /nfs/dbraw/zinc/81/93/99/1379819399.db2.gz FOEQFEJXWYOCEW-KRWDZBQOSA-N 2 1 328.460 2.027 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001380055492 1381028704 /nfs/dbraw/zinc/02/87/04/1381028704.db2.gz LIYPZNIBUAHYEC-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001380055492 1381028707 /nfs/dbraw/zinc/02/87/07/1381028707.db2.gz LIYPZNIBUAHYEC-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP CC[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)Cc1ccc(C#N)cc1 ZINC001390961485 1388917422 /nfs/dbraw/zinc/91/74/22/1388917422.db2.gz JQXGHDVZBHXAHM-UHFFFAOYSA-N 2 1 344.503 2.474 20 30 EEEDMP CC[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)Cc1ccc(C#N)cc1 ZINC001390961485 1388917431 /nfs/dbraw/zinc/91/74/31/1388917431.db2.gz JQXGHDVZBHXAHM-UHFFFAOYSA-N 2 1 344.503 2.474 20 30 EEEDMP CC[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)Cc1ccc(C#N)cc1 ZINC001390961485 1388917434 /nfs/dbraw/zinc/91/74/34/1388917434.db2.gz JQXGHDVZBHXAHM-UHFFFAOYSA-N 2 1 344.503 2.474 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001753074405 1406666877 /nfs/dbraw/zinc/66/68/77/1406666877.db2.gz KJPKWMGBCKFDLI-UHFFFAOYSA-N 2 1 335.879 2.080 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001753074405 1406666883 /nfs/dbraw/zinc/66/68/83/1406666883.db2.gz KJPKWMGBCKFDLI-UHFFFAOYSA-N 2 1 335.879 2.080 20 30 EEEDMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001753074405 1406666889 /nfs/dbraw/zinc/66/68/89/1406666889.db2.gz KJPKWMGBCKFDLI-UHFFFAOYSA-N 2 1 335.879 2.080 20 30 EEEDMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001753074405 1406666896 /nfs/dbraw/zinc/66/68/96/1406666896.db2.gz KJPKWMGBCKFDLI-UHFFFAOYSA-N 2 1 335.879 2.080 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001400186703 1396026424 /nfs/dbraw/zinc/02/64/24/1396026424.db2.gz NYJRMHSSVXXAJP-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001400186703 1396026436 /nfs/dbraw/zinc/02/64/36/1396026436.db2.gz NYJRMHSSVXXAJP-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001400186703 1396026448 /nfs/dbraw/zinc/02/64/48/1396026448.db2.gz NYJRMHSSVXXAJP-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP C[C@H]1C[C@@H](C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001576600230 1403588921 /nfs/dbraw/zinc/58/89/21/1403588921.db2.gz ZKEYQTOMTMLXQZ-PXNSSMCTSA-N 2 1 326.488 2.454 20 30 EEEDMP N#Cc1ccsc1N1CC[C@H]([N@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)C1=O ZINC001580080668 1403821546 /nfs/dbraw/zinc/82/15/46/1403821546.db2.gz BBOVBGGNUOLNIG-VKJFTORMSA-N 2 1 344.484 2.176 20 30 EEEDMP N#Cc1ccsc1N1CC[C@H]([N@@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)C1=O ZINC001580080668 1403821552 /nfs/dbraw/zinc/82/15/52/1403821552.db2.gz BBOVBGGNUOLNIG-VKJFTORMSA-N 2 1 344.484 2.176 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@]2(C)C1 ZINC001755460049 1407489798 /nfs/dbraw/zinc/48/97/98/1407489798.db2.gz AFBFORWEIGGJTH-OYRHEFFESA-N 2 1 341.499 2.475 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@]2(C)C1 ZINC001755460049 1407489817 /nfs/dbraw/zinc/48/98/17/1407489817.db2.gz AFBFORWEIGGJTH-OYRHEFFESA-N 2 1 341.499 2.475 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@]2(C)C1 ZINC001755460049 1407489824 /nfs/dbraw/zinc/48/98/24/1407489824.db2.gz AFBFORWEIGGJTH-OYRHEFFESA-N 2 1 341.499 2.475 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@]2(C)C1 ZINC001755460049 1407489831 /nfs/dbraw/zinc/48/98/31/1407489831.db2.gz AFBFORWEIGGJTH-OYRHEFFESA-N 2 1 341.499 2.475 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC1(C)C ZINC001755757891 1407816223 /nfs/dbraw/zinc/81/62/23/1407816223.db2.gz SLPBBWSDRXSOFX-MRXNPFEDSA-N 2 1 334.464 2.143 20 30 EEEDMP Cc1ccc(NC(=[NH2+])NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000303875381 1409792016 /nfs/dbraw/zinc/79/20/16/1409792016.db2.gz DJKUMUHNHOUALG-LJQANCHMSA-N 2 1 338.455 2.141 20 30 EEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001100402228 1410649540 /nfs/dbraw/zinc/64/95/40/1410649540.db2.gz SXANRWZXXSTFCG-TVPLGVNVSA-N 2 1 349.519 2.080 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)[C@@H]2CC)CC1 ZINC001087840218 782349014 /nfs/dbraw/zinc/34/90/14/782349014.db2.gz MOVMDCZSDHPKCI-RBUKOAKNSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167425846 758349480 /nfs/dbraw/zinc/34/94/80/758349480.db2.gz LSPRTSONZCWCHS-ROUUACIJSA-N 2 1 349.519 2.082 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001167627922 760770045 /nfs/dbraw/zinc/77/00/45/760770045.db2.gz UUMGXMAQPFFWMB-HXUWFJFHSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461423 760929721 /nfs/dbraw/zinc/92/97/21/760929721.db2.gz GRQOEDVCSRVCMM-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461423 760929734 /nfs/dbraw/zinc/92/97/34/760929734.db2.gz GRQOEDVCSRVCMM-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461423 760929741 /nfs/dbraw/zinc/92/97/41/760929741.db2.gz GRQOEDVCSRVCMM-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ccnc3C(C)C)C(C)(C)[C@H]21 ZINC001087306027 761553911 /nfs/dbraw/zinc/55/39/11/761553911.db2.gz BYSIPQSJSFDVCU-NXHRZFHOSA-N 2 1 342.487 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@H]21 ZINC001087306027 761553922 /nfs/dbraw/zinc/55/39/22/761553922.db2.gz BYSIPQSJSFDVCU-NXHRZFHOSA-N 2 1 342.487 2.245 20 30 EEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089473059 769617694 /nfs/dbraw/zinc/61/76/94/769617694.db2.gz QSMKNSLHIILPLL-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473059 769617699 /nfs/dbraw/zinc/61/76/99/769617699.db2.gz QSMKNSLHIILPLL-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473059 769617707 /nfs/dbraw/zinc/61/77/07/769617707.db2.gz QSMKNSLHIILPLL-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001112529937 770345025 /nfs/dbraw/zinc/34/50/25/770345025.db2.gz WADBMAZCLKQCNX-FFZOFVMBSA-N 2 1 349.494 2.050 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088157932 783002055 /nfs/dbraw/zinc/00/20/55/783002055.db2.gz OQTRQBJRBSUKGT-MOPGFXCFSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088167099 783012037 /nfs/dbraw/zinc/01/20/37/783012037.db2.gz HJZQFZWLBIVMFR-LVCYWYKZSA-N 2 1 341.499 2.430 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980141777 773933796 /nfs/dbraw/zinc/93/37/96/773933796.db2.gz KLJXOKBIBSSIHZ-JQHSSLGASA-N 2 1 336.439 2.188 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776182 783147061 /nfs/dbraw/zinc/14/70/61/783147061.db2.gz GCYHYUPTXCMJFL-HDICACEKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776182 783147064 /nfs/dbraw/zinc/14/70/64/783147064.db2.gz GCYHYUPTXCMJFL-HDICACEKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776182 783147067 /nfs/dbraw/zinc/14/70/67/783147067.db2.gz GCYHYUPTXCMJFL-HDICACEKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089833470 777337986 /nfs/dbraw/zinc/33/79/86/777337986.db2.gz KPIJRQJGIVDRHT-AITUJVMLSA-N 2 1 336.439 2.303 20 30 EEEDMP C=CCC[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957603 778656939 /nfs/dbraw/zinc/65/69/39/778656939.db2.gz NIBRKJKTTYKXKF-GOSISDBHSA-N 2 1 325.472 2.309 20 30 EEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957603 778656941 /nfs/dbraw/zinc/65/69/41/778656941.db2.gz NIBRKJKTTYKXKF-GOSISDBHSA-N 2 1 325.472 2.309 20 30 EEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957603 778656943 /nfs/dbraw/zinc/65/69/43/778656943.db2.gz NIBRKJKTTYKXKF-GOSISDBHSA-N 2 1 325.472 2.309 20 30 EEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC000982160952 779200000 /nfs/dbraw/zinc/20/00/00/779200000.db2.gz HAJRYXZJVDZRLY-UHFFFAOYSA-N 2 1 327.472 2.472 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@]2(C)C1 ZINC000982374650 779908768 /nfs/dbraw/zinc/90/87/68/779908768.db2.gz RNVSURPOOYEWMV-BGYRXZFFSA-N 2 1 336.439 2.142 20 30 EEEDMP C[N@@H+](CCC(=O)NCC[NH2+]Cc1cccc(C#N)c1)C1CCCCC1 ZINC001131815436 783299331 /nfs/dbraw/zinc/29/93/31/783299331.db2.gz CSRUNEUMXIJNIJ-UHFFFAOYSA-N 2 1 342.487 2.419 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946807657 783530710 /nfs/dbraw/zinc/53/07/10/783530710.db2.gz BUFURGKHCAGEAR-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946807657 783530717 /nfs/dbraw/zinc/53/07/17/783530717.db2.gz BUFURGKHCAGEAR-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946807657 783530724 /nfs/dbraw/zinc/53/07/24/783530724.db2.gz BUFURGKHCAGEAR-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@H+](CC(C)C)C3)CC2)CC1 ZINC001035256343 784204510 /nfs/dbraw/zinc/20/45/10/784204510.db2.gz IDEMIONJINBREL-UHFFFAOYSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135691625 784252785 /nfs/dbraw/zinc/25/27/85/784252785.db2.gz XTSDYABFMYXSFX-ZWKOTPCHSA-N 2 1 339.524 2.328 20 30 EEEDMP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135784535 784424596 /nfs/dbraw/zinc/42/45/96/784424596.db2.gz INTJYMBNEOGGLF-LSDHHAIUSA-N 2 1 327.432 2.330 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544347 787566016 /nfs/dbraw/zinc/56/60/16/787566016.db2.gz YWQLAYVWDFGHHY-NLWGTHIKSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997086029 788744129 /nfs/dbraw/zinc/74/41/29/788744129.db2.gz RPMWZENEOJXPMT-PBHICJAKSA-N 2 1 339.911 2.297 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991474950 789021527 /nfs/dbraw/zinc/02/15/27/789021527.db2.gz ROFDSONWANNFGE-QUCCMNQESA-N 2 1 336.439 2.393 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001105734537 789307677 /nfs/dbraw/zinc/30/76/77/789307677.db2.gz XCWALEPJNPFOHT-UHFFFAOYSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001107946173 789706127 /nfs/dbraw/zinc/70/61/27/789706127.db2.gz QIMPNWQLAKUJDI-LJQANCHMSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001107946173 789706137 /nfs/dbraw/zinc/70/61/37/789706137.db2.gz QIMPNWQLAKUJDI-LJQANCHMSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847698 806072703 /nfs/dbraw/zinc/07/27/03/806072703.db2.gz CPXVRVCIXWGSQG-QYZOEREBSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847698 806072713 /nfs/dbraw/zinc/07/27/13/806072713.db2.gz CPXVRVCIXWGSQG-QYZOEREBSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147647382 791896940 /nfs/dbraw/zinc/89/69/40/791896940.db2.gz SXXABAIZBHKFOR-MRXNPFEDSA-N 2 1 325.472 2.167 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735092 792552359 /nfs/dbraw/zinc/55/23/59/792552359.db2.gz IZIIISKJNSNELY-ZBFHGGJFSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992169871 793024750 /nfs/dbraw/zinc/02/47/50/793024750.db2.gz SLCIUPJJSBFLJH-TZIWHRDSSA-N 2 1 339.483 2.151 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C#N ZINC001109928237 806227062 /nfs/dbraw/zinc/22/70/62/806227062.db2.gz NABMEAHTYHJESI-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001109928237 806227066 /nfs/dbraw/zinc/22/70/66/806227066.db2.gz NABMEAHTYHJESI-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001109928237 806227076 /nfs/dbraw/zinc/22/70/76/806227076.db2.gz NABMEAHTYHJESI-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109928237 806227086 /nfs/dbraw/zinc/22/70/86/806227086.db2.gz NABMEAHTYHJESI-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109928237 806227098 /nfs/dbraw/zinc/22/70/98/806227098.db2.gz NABMEAHTYHJESI-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@]2(C)C1 ZINC001091882869 793344299 /nfs/dbraw/zinc/34/42/99/793344299.db2.gz NEFOOFVJAZDIJU-NQIIRXRSSA-N 2 1 341.499 2.371 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013523 793506561 /nfs/dbraw/zinc/50/65/61/793506561.db2.gz URYKDDSUWDQUJP-AYOQOUSVSA-N 2 1 337.483 2.165 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013523 793506567 /nfs/dbraw/zinc/50/65/67/793506567.db2.gz URYKDDSUWDQUJP-AYOQOUSVSA-N 2 1 337.483 2.165 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013523 793506571 /nfs/dbraw/zinc/50/65/71/793506571.db2.gz URYKDDSUWDQUJP-AYOQOUSVSA-N 2 1 337.483 2.165 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](C[C@@H](C)CC)C[C@@]3(C)C2)CC1 ZINC001092300286 793776328 /nfs/dbraw/zinc/77/63/28/793776328.db2.gz USTISRAZKQYSGI-DSKINZAPSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304919 793781794 /nfs/dbraw/zinc/78/17/94/793781794.db2.gz RSFBQMAHPVQLPX-SBHAEUEKSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304919 793781799 /nfs/dbraw/zinc/78/17/99/793781799.db2.gz RSFBQMAHPVQLPX-SBHAEUEKSA-N 2 1 339.483 2.093 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@@]3(NC(=O)Cn4ccnc4)CCC[C@H]23)cc1 ZINC000992528045 794512651 /nfs/dbraw/zinc/51/26/51/794512651.db2.gz GEFGFEKXDQQWDR-ICSRJNTNSA-N 2 1 349.438 2.068 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC001079879446 795312746 /nfs/dbraw/zinc/31/27/46/795312746.db2.gz SCYILOSJJWOEGB-QRQLOZEOSA-N 2 1 343.515 2.101 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108022050 795617746 /nfs/dbraw/zinc/61/77/46/795617746.db2.gz CEORYNVPOQJHBW-MJGOQNOKSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCO[C@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108033958 796075991 /nfs/dbraw/zinc/07/59/91/796075991.db2.gz PSIZERCYSPNENR-VQIMIIECSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108033958 796075995 /nfs/dbraw/zinc/07/59/95/796075995.db2.gz PSIZERCYSPNENR-VQIMIIECSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108033958 796076003 /nfs/dbraw/zinc/07/60/03/796076003.db2.gz PSIZERCYSPNENR-VQIMIIECSA-N 2 1 339.524 2.279 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC=C(C)C)CC2 ZINC001094436414 796242459 /nfs/dbraw/zinc/24/24/59/796242459.db2.gz REYXHGVMXYNASL-QKNQBKEWSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2 ZINC001094436414 796242466 /nfs/dbraw/zinc/24/24/66/796242466.db2.gz REYXHGVMXYNASL-QKNQBKEWSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001094436414 796242472 /nfs/dbraw/zinc/24/24/72/796242472.db2.gz REYXHGVMXYNASL-QKNQBKEWSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001094436414 796242478 /nfs/dbraw/zinc/24/24/78/796242478.db2.gz REYXHGVMXYNASL-QKNQBKEWSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456605 796266831 /nfs/dbraw/zinc/26/68/31/796266831.db2.gz JJGBKRALUHZEFY-SFHLNBCPSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456605 796266835 /nfs/dbraw/zinc/26/68/35/796266835.db2.gz JJGBKRALUHZEFY-SFHLNBCPSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456605 796266838 /nfs/dbraw/zinc/26/68/38/796266838.db2.gz JJGBKRALUHZEFY-SFHLNBCPSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226529 796678370 /nfs/dbraw/zinc/67/83/70/796678370.db2.gz FNAUYPXNRLIXDM-GBESFXJTSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001832758 797263370 /nfs/dbraw/zinc/26/33/70/797263370.db2.gz HJAMDSBCVRPEIU-QGZVFWFLSA-N 2 1 330.476 2.158 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001082568925 797591734 /nfs/dbraw/zinc/59/17/34/797591734.db2.gz YYEXDVPDAIXUNR-OLMNPRSZSA-N 2 1 345.512 2.091 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001082568925 797591739 /nfs/dbraw/zinc/59/17/39/797591739.db2.gz YYEXDVPDAIXUNR-OLMNPRSZSA-N 2 1 345.512 2.091 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082568608 797591814 /nfs/dbraw/zinc/59/18/14/797591814.db2.gz HGIQAHXXOFUHTN-QRQLOZEOSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082568608 797591816 /nfs/dbraw/zinc/59/18/16/797591816.db2.gz HGIQAHXXOFUHTN-QRQLOZEOSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174913982 797929721 /nfs/dbraw/zinc/92/97/21/797929721.db2.gz VRHNASWMJXMTJZ-ZWKOTPCHSA-N 2 1 339.524 2.326 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174913982 797929722 /nfs/dbraw/zinc/92/97/22/797929722.db2.gz VRHNASWMJXMTJZ-ZWKOTPCHSA-N 2 1 339.524 2.326 20 30 EEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001175286837 798049021 /nfs/dbraw/zinc/04/90/21/798049021.db2.gz ANESFZHBIYKQCU-OAHLLOKOSA-N 2 1 334.464 2.335 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085152720 798727152 /nfs/dbraw/zinc/72/71/52/798727152.db2.gz OTVYAQCSNBVGAZ-QRVBRYPASA-N 2 1 340.471 2.169 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001177214982 798796654 /nfs/dbraw/zinc/79/66/54/798796654.db2.gz RVSFGJWKQCCXMS-IBGZPJMESA-N 2 1 342.487 2.060 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720700 800879443 /nfs/dbraw/zinc/87/94/43/800879443.db2.gz NBGMLHRDXVHYDU-QWFCFKBJSA-N 2 1 333.520 2.062 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004439794 802048616 /nfs/dbraw/zinc/04/86/16/802048616.db2.gz WSUDJAWNLLFJKZ-PMACEKPBSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001004444847 802057684 /nfs/dbraw/zinc/05/76/84/802057684.db2.gz BMDHMOASKALZCA-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004444847 802057691 /nfs/dbraw/zinc/05/76/91/802057691.db2.gz BMDHMOASKALZCA-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004444847 802057700 /nfs/dbraw/zinc/05/77/00/802057700.db2.gz BMDHMOASKALZCA-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001086175351 802395112 /nfs/dbraw/zinc/39/51/12/802395112.db2.gz SBLGSIAPNXDUFZ-OAGGEKHMSA-N 2 1 327.900 2.345 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004619344 802496826 /nfs/dbraw/zinc/49/68/26/802496826.db2.gz BSWHXPOFRAQPQF-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004619344 802496829 /nfs/dbraw/zinc/49/68/29/802496829.db2.gz BSWHXPOFRAQPQF-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004619344 802496834 /nfs/dbraw/zinc/49/68/34/802496834.db2.gz BSWHXPOFRAQPQF-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001108258020 802598035 /nfs/dbraw/zinc/59/80/35/802598035.db2.gz OVJXYZSDOSSBJT-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001108258020 802598043 /nfs/dbraw/zinc/59/80/43/802598043.db2.gz OVJXYZSDOSSBJT-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001108258020 802598048 /nfs/dbraw/zinc/59/80/48/802598048.db2.gz OVJXYZSDOSSBJT-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086402338 802899067 /nfs/dbraw/zinc/89/90/67/802899067.db2.gz QCYIHHWJFHRVIG-SNRMKQJTSA-N 2 1 340.471 2.027 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108395139 803446060 /nfs/dbraw/zinc/44/60/60/803446060.db2.gz OVMFSMFRNSTOMU-IEBWSBKVSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108395139 803446064 /nfs/dbraw/zinc/44/60/64/803446064.db2.gz OVMFSMFRNSTOMU-IEBWSBKVSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108395139 803446071 /nfs/dbraw/zinc/44/60/71/803446071.db2.gz OVMFSMFRNSTOMU-IEBWSBKVSA-N 2 1 339.524 2.116 20 30 EEEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001086619919 810645301 /nfs/dbraw/zinc/64/53/01/810645301.db2.gz OAPJKNXBMHQXFV-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001086619919 810645308 /nfs/dbraw/zinc/64/53/08/810645308.db2.gz OAPJKNXBMHQXFV-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001086619919 810645313 /nfs/dbraw/zinc/64/53/13/810645313.db2.gz OAPJKNXBMHQXFV-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001130710825 811959897 /nfs/dbraw/zinc/95/98/97/811959897.db2.gz GCLSKUYVNLGDNV-SFHVURJKSA-N 2 1 346.450 2.024 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001130710825 811959900 /nfs/dbraw/zinc/95/99/00/811959900.db2.gz GCLSKUYVNLGDNV-SFHVURJKSA-N 2 1 346.450 2.024 20 30 EEEDMP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438814946 1091432804 /nfs/dbraw/zinc/43/28/04/1091432804.db2.gz GDZOIXVEKIWFKE-ZWKOTPCHSA-N 2 1 346.450 2.022 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCC1 ZINC001440334832 1093477179 /nfs/dbraw/zinc/47/71/79/1093477179.db2.gz ASUUYBANVDQEPT-HNNXBMFYSA-N 2 1 327.900 2.489 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC001449023687 1094029948 /nfs/dbraw/zinc/02/99/48/1094029948.db2.gz WRKQLHXJRSVSNE-YOEHRIQHSA-N 2 1 346.450 2.118 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC001441650988 1095604894 /nfs/dbraw/zinc/60/48/94/1095604894.db2.gz ZEMBTZQZUAVZMU-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001445105374 1100330689 /nfs/dbraw/zinc/33/06/89/1100330689.db2.gz GDNVDVDDTNHPDW-UONOGXRCSA-N 2 1 346.313 2.111 20 30 EEEDMP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498118589 1106945174 /nfs/dbraw/zinc/94/51/74/1106945174.db2.gz STMSVOLANWGMMG-HNNXBMFYSA-N 2 1 330.476 2.130 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001507293425 1115177818 /nfs/dbraw/zinc/17/78/18/1115177818.db2.gz RTABMCGZUMOGDA-WMLDXEAASA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001507416712 1115258671 /nfs/dbraw/zinc/25/86/71/1115258671.db2.gz QBVQOOXLYMUAOT-RTBURBONSA-N 2 1 342.487 2.275 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000130889505 223185440 /nfs/dbraw/zinc/18/54/40/223185440.db2.gz KGHOWTPLUOXWJT-CQSZACIVSA-N 2 1 325.416 2.412 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000130889505 223185442 /nfs/dbraw/zinc/18/54/42/223185442.db2.gz KGHOWTPLUOXWJT-CQSZACIVSA-N 2 1 325.416 2.412 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000438846239 242053813 /nfs/dbraw/zinc/05/38/13/242053813.db2.gz ADOXPSCRZNGIAA-SFHVURJKSA-N 2 1 336.524 2.447 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000491814733 246164252 /nfs/dbraw/zinc/16/42/52/246164252.db2.gz NTFIPMATJXNJJH-IBGZPJMESA-N 2 1 326.440 2.124 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000491814733 246164254 /nfs/dbraw/zinc/16/42/54/246164254.db2.gz NTFIPMATJXNJJH-IBGZPJMESA-N 2 1 326.440 2.124 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)c(C#N)c1 ZINC000286474427 266145059 /nfs/dbraw/zinc/14/50/59/266145059.db2.gz PLHFGRIRUKEGSO-QGZVFWFLSA-N 2 1 346.450 2.185 20 30 EEEDMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528399316 267017587 /nfs/dbraw/zinc/01/75/87/267017587.db2.gz VOGQMFWBJHXWTG-SFHVURJKSA-N 2 1 331.460 2.104 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700690 782094338 /nfs/dbraw/zinc/09/43/38/782094338.db2.gz UWPYFHPHBUBDPC-KSZLIROESA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700690 782094346 /nfs/dbraw/zinc/09/43/46/782094346.db2.gz UWPYFHPHBUBDPC-KSZLIROESA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700690 782094357 /nfs/dbraw/zinc/09/43/57/782094357.db2.gz UWPYFHPHBUBDPC-KSZLIROESA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700690 782094367 /nfs/dbraw/zinc/09/43/67/782094367.db2.gz UWPYFHPHBUBDPC-KSZLIROESA-N 2 1 337.508 2.031 20 30 EEEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)cc[nH+]1 ZINC000328848335 465146816 /nfs/dbraw/zinc/14/68/16/465146816.db2.gz RAWYFJIRKAYYFL-JONQDZQNSA-N 2 1 346.454 2.083 20 30 EEEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc[nH+]1 ZINC000328848335 465146820 /nfs/dbraw/zinc/14/68/20/465146820.db2.gz RAWYFJIRKAYYFL-JONQDZQNSA-N 2 1 346.454 2.083 20 30 EEEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150767169 463424170 /nfs/dbraw/zinc/42/41/70/463424170.db2.gz MGQALCCIZJRSJA-CQSZACIVSA-N 2 1 332.473 2.366 20 30 EEEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150767169 463424175 /nfs/dbraw/zinc/42/41/75/463424175.db2.gz MGQALCCIZJRSJA-CQSZACIVSA-N 2 1 332.473 2.366 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000106455609 463517615 /nfs/dbraw/zinc/51/76/15/463517615.db2.gz GKPMDAHGXWMRKD-IBGZPJMESA-N 2 1 342.487 2.179 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000106455609 463517616 /nfs/dbraw/zinc/51/76/16/463517616.db2.gz GKPMDAHGXWMRKD-IBGZPJMESA-N 2 1 342.487 2.179 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000170908961 463739399 /nfs/dbraw/zinc/73/93/99/463739399.db2.gz PYIPIVPXGICEFU-IBGZPJMESA-N 3 1 343.519 2.171 20 30 EEEDMP C[NH+]=C(NCc1ccco1)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266118942 464766564 /nfs/dbraw/zinc/76/65/64/464766564.db2.gz MBZUIQGUIWNGAR-UHFFFAOYSA-N 2 1 326.444 2.044 20 30 EEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000350147713 466404458 /nfs/dbraw/zinc/40/44/58/466404458.db2.gz AUZMSCGKMJSCGM-IBGZPJMESA-N 2 1 331.460 2.370 20 30 EEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370707524 466974327 /nfs/dbraw/zinc/97/43/27/466974327.db2.gz FEILNLVVKOPCBP-GHTZIAJQSA-N 2 1 341.499 2.156 20 30 EEEDMP C#CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370707524 466974330 /nfs/dbraw/zinc/97/43/30/466974330.db2.gz FEILNLVVKOPCBP-GHTZIAJQSA-N 2 1 341.499 2.156 20 30 EEEDMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1cccs1 ZINC000424138705 466987983 /nfs/dbraw/zinc/98/79/83/466987983.db2.gz DRDHGUREORMWRO-FMKPAKJESA-N 2 1 334.489 2.268 20 30 EEEDMP C[C@H](CCC#N)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000602549204 469357282 /nfs/dbraw/zinc/35/72/82/469357282.db2.gz SWTIIWLNVWAVFX-APWZRJJASA-N 2 1 342.487 2.413 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644548906 470979388 /nfs/dbraw/zinc/97/93/88/470979388.db2.gz DUHXYNXNEAMMBD-FQEVSTJZSA-N 2 1 331.504 2.109 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726275 782139060 /nfs/dbraw/zinc/13/90/60/782139060.db2.gz YUXGPXUFUDDFKG-BPQIPLTHSA-N 2 1 330.476 2.299 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726275 782139066 /nfs/dbraw/zinc/13/90/66/782139066.db2.gz YUXGPXUFUDDFKG-BPQIPLTHSA-N 2 1 330.476 2.299 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000171907818 526434467 /nfs/dbraw/zinc/43/44/67/526434467.db2.gz WMLRDOCUVKFBEZ-QGZVFWFLSA-N 2 1 344.503 2.457 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000106334940 526594423 /nfs/dbraw/zinc/59/44/23/526594423.db2.gz JGVTVYHAEQTTMM-DLBZAZTESA-N 2 1 336.524 2.447 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000732119925 577150547 /nfs/dbraw/zinc/15/05/47/577150547.db2.gz GMRDHYOJXXUDEM-IBGZPJMESA-N 2 1 327.472 2.241 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000732119925 577150549 /nfs/dbraw/zinc/15/05/49/577150549.db2.gz GMRDHYOJXXUDEM-IBGZPJMESA-N 2 1 327.472 2.241 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+](C)C(C)C)c1 ZINC000732119925 577150553 /nfs/dbraw/zinc/15/05/53/577150553.db2.gz GMRDHYOJXXUDEM-IBGZPJMESA-N 2 1 327.472 2.241 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+](C)C(C)C)c1 ZINC000732119925 577150556 /nfs/dbraw/zinc/15/05/56/577150556.db2.gz GMRDHYOJXXUDEM-IBGZPJMESA-N 2 1 327.472 2.241 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC2CC2)CC1 ZINC000969156223 674643046 /nfs/dbraw/zinc/64/30/46/674643046.db2.gz MXQRIPMNZJCTJS-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC(=C)C)CC1 ZINC000969155530 674643054 /nfs/dbraw/zinc/64/30/54/674643054.db2.gz BEMMLFJFVWXMAV-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000969865872 675267926 /nfs/dbraw/zinc/26/79/26/675267926.db2.gz RVDOEBYHMIIIDP-LPHOPBHVSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000969865872 675267929 /nfs/dbraw/zinc/26/79/29/675267929.db2.gz RVDOEBYHMIIIDP-LPHOPBHVSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682539 676338306 /nfs/dbraw/zinc/33/83/06/676338306.db2.gz RHAIRVWNMVYGLA-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711622 676369694 /nfs/dbraw/zinc/36/96/94/676369694.db2.gz YYRHQNIYKQQJMH-WOJBJXKFSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021715176 676371973 /nfs/dbraw/zinc/37/19/73/676371973.db2.gz DQIDKCQJTPHVKZ-CVEARBPZSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021715176 676371974 /nfs/dbraw/zinc/37/19/74/676371974.db2.gz DQIDKCQJTPHVKZ-CVEARBPZSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737572 676395568 /nfs/dbraw/zinc/39/55/68/676395568.db2.gz VTVYPWLNUKUYIF-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737572 676395570 /nfs/dbraw/zinc/39/55/70/676395570.db2.gz VTVYPWLNUKUYIF-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001022220735 676742591 /nfs/dbraw/zinc/74/25/91/676742591.db2.gz MEKUUKGWULJYMC-ZCNNSNEGSA-N 2 1 339.483 2.083 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001022220735 676742592 /nfs/dbraw/zinc/74/25/92/676742592.db2.gz MEKUUKGWULJYMC-ZCNNSNEGSA-N 2 1 339.483 2.083 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972155117 678325806 /nfs/dbraw/zinc/32/58/06/678325806.db2.gz URODVLQOEXNJEJ-HZPDHXFCSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000972155117 678325809 /nfs/dbraw/zinc/32/58/09/678325809.db2.gz URODVLQOEXNJEJ-HZPDHXFCSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC000972155117 678325811 /nfs/dbraw/zinc/32/58/11/678325811.db2.gz URODVLQOEXNJEJ-HZPDHXFCSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC000972155117 678325813 /nfs/dbraw/zinc/32/58/13/678325813.db2.gz URODVLQOEXNJEJ-HZPDHXFCSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972582560 679350443 /nfs/dbraw/zinc/35/04/43/679350443.db2.gz MHFACAHQNDRERN-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972582560 679350445 /nfs/dbraw/zinc/35/04/45/679350445.db2.gz MHFACAHQNDRERN-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000972689128 679606330 /nfs/dbraw/zinc/60/63/30/679606330.db2.gz SZGUWGWOVBOLGE-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689128 679606331 /nfs/dbraw/zinc/60/63/31/679606331.db2.gz SZGUWGWOVBOLGE-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689128 679606332 /nfs/dbraw/zinc/60/63/32/679606332.db2.gz SZGUWGWOVBOLGE-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000972689136 679606344 /nfs/dbraw/zinc/60/63/44/679606344.db2.gz SZGUWGWOVBOLGE-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689136 679606346 /nfs/dbraw/zinc/60/63/46/679606346.db2.gz SZGUWGWOVBOLGE-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689136 679606347 /nfs/dbraw/zinc/60/63/47/679606347.db2.gz SZGUWGWOVBOLGE-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001024366751 679883746 /nfs/dbraw/zinc/88/37/46/679883746.db2.gz VFOYBOAARHEBJJ-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001024366751 679883747 /nfs/dbraw/zinc/88/37/47/679883747.db2.gz VFOYBOAARHEBJJ-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001024366751 679883748 /nfs/dbraw/zinc/88/37/48/679883748.db2.gz VFOYBOAARHEBJJ-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001024624024 681290934 /nfs/dbraw/zinc/29/09/34/681290934.db2.gz KTRWUCPMHMWYLQ-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624024 681290937 /nfs/dbraw/zinc/29/09/37/681290937.db2.gz KTRWUCPMHMWYLQ-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624024 681290942 /nfs/dbraw/zinc/29/09/42/681290942.db2.gz KTRWUCPMHMWYLQ-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024652964 681318399 /nfs/dbraw/zinc/31/83/99/681318399.db2.gz ZPOGNSFSELZCKW-FQEVSTJZSA-N 2 1 341.499 2.398 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541712 681863307 /nfs/dbraw/zinc/86/33/07/681863307.db2.gz FBSHKOOFMATTJX-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541712 681863313 /nfs/dbraw/zinc/86/33/13/681863313.db2.gz FBSHKOOFMATTJX-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541712 681863316 /nfs/dbraw/zinc/86/33/16/681863316.db2.gz FBSHKOOFMATTJX-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025253980 682342890 /nfs/dbraw/zinc/34/28/90/682342890.db2.gz YSUKLSGYKQGDKA-RBUKOAKNSA-N 2 1 336.439 2.427 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028900651 682448499 /nfs/dbraw/zinc/44/84/99/682448499.db2.gz ICCSWGXBYROPEV-HNNXBMFYSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028900651 682448501 /nfs/dbraw/zinc/44/85/01/682448501.db2.gz ICCSWGXBYROPEV-HNNXBMFYSA-N 2 1 327.900 2.297 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261967929 682685054 /nfs/dbraw/zinc/68/50/54/682685054.db2.gz LYPBDNPIABUVBQ-PKOBYXMFSA-N 2 1 336.524 2.185 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262773158 688433323 /nfs/dbraw/zinc/43/33/23/688433323.db2.gz JGSDHWCEGOZCKW-MWDXBVQZSA-N 2 1 336.524 2.229 20 30 EEEDMP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986354627 688504877 /nfs/dbraw/zinc/50/48/77/688504877.db2.gz KRNINLCMHCCXNG-DNVCBOLYSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241288 692084692 /nfs/dbraw/zinc/08/46/92/692084692.db2.gz MWFCFJBALDUZTG-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241288 692084693 /nfs/dbraw/zinc/08/46/93/692084693.db2.gz MWFCFJBALDUZTG-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241288 692084696 /nfs/dbraw/zinc/08/46/96/692084696.db2.gz MWFCFJBALDUZTG-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001485672599 1191891038 /nfs/dbraw/zinc/89/10/38/1191891038.db2.gz JENHGONKVWJISY-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Br)C[NH2+]CCN(CC)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001754051137 1177020822 /nfs/dbraw/zinc/02/08/22/1177020822.db2.gz ZRMTWOIFUCDSPD-AWEZNQCLSA-N 2 1 346.313 2.208 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@@H](C)C1 ZINC000944124008 1192898211 /nfs/dbraw/zinc/89/82/11/1192898211.db2.gz ZGXIWPSJWNIGJW-DOTOQJQBSA-N 2 1 339.443 2.284 20 30 EEEDMP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001271885360 1186579265 /nfs/dbraw/zinc/57/92/65/1186579265.db2.gz OASZWXKALWORET-UXHICEINSA-N 2 1 341.499 2.253 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001105438335 1187117890 /nfs/dbraw/zinc/11/78/90/1187117890.db2.gz DKTDAMVADKNJHC-QFUCXCTJSA-N 2 1 341.499 2.320 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001105446107 1187195412 /nfs/dbraw/zinc/19/54/12/1187195412.db2.gz BYTQKLUHXHJQDN-PUZFROQSSA-N 2 1 329.488 2.320 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076364754 1188874067 /nfs/dbraw/zinc/87/40/67/1188874067.db2.gz QIMBABARGOUBLP-RBUKOAKNSA-N 2 1 327.472 2.471 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001484657807 1191459587 /nfs/dbraw/zinc/45/95/87/1191459587.db2.gz SUDMOAACRXMRNN-UHFFFAOYSA-N 2 1 328.460 2.029 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034364052 1196152737 /nfs/dbraw/zinc/15/27/37/1196152737.db2.gz HWRQZBAUIPDKLM-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364052 1196152739 /nfs/dbraw/zinc/15/27/39/1196152739.db2.gz HWRQZBAUIPDKLM-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364052 1196152741 /nfs/dbraw/zinc/15/27/41/1196152741.db2.gz HWRQZBAUIPDKLM-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034664020 1196475136 /nfs/dbraw/zinc/47/51/36/1196475136.db2.gz RORGEWGAGZJUOO-FHWLQOOXSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034664020 1196475139 /nfs/dbraw/zinc/47/51/39/1196475139.db2.gz RORGEWGAGZJUOO-FHWLQOOXSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000794574447 1197938620 /nfs/dbraw/zinc/93/86/20/1197938620.db2.gz IJUCILMZBOSPOW-UHFFFAOYSA-N 2 1 342.487 2.111 20 30 EEEDMP C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000794574447 1197938625 /nfs/dbraw/zinc/93/86/25/1197938625.db2.gz IJUCILMZBOSPOW-UHFFFAOYSA-N 2 1 342.487 2.111 20 30 EEEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365679 1199616703 /nfs/dbraw/zinc/61/67/03/1199616703.db2.gz OAYOQJDSHASCMJ-FUHWJXTLSA-N 2 1 348.491 2.143 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365679 1199616705 /nfs/dbraw/zinc/61/67/05/1199616705.db2.gz OAYOQJDSHASCMJ-FUHWJXTLSA-N 2 1 348.491 2.143 20 30 EEEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000826014074 1200228714 /nfs/dbraw/zinc/22/87/14/1200228714.db2.gz UXYKSNWQBJJSLB-LJQANCHMSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001132986750 1200278934 /nfs/dbraw/zinc/27/89/34/1200278934.db2.gz MVLJPLOKZUJZHH-IRXDYDNUSA-N 2 1 344.503 2.412 20 30 EEEDMP CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3cncc(C#N)c3)C2)C1 ZINC001275027934 1205236454 /nfs/dbraw/zinc/23/64/54/1205236454.db2.gz REPDRILUGXPWBF-HXUWFJFHSA-N 2 1 341.503 2.193 20 30 EEEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001275027934 1205236456 /nfs/dbraw/zinc/23/64/56/1205236456.db2.gz REPDRILUGXPWBF-HXUWFJFHSA-N 2 1 341.503 2.193 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3CC2)cc1C#N ZINC001275171723 1205273498 /nfs/dbraw/zinc/27/34/98/1205273498.db2.gz KRUZVGCLDOXDAE-QRQLOZEOSA-N 2 1 342.487 2.077 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]3CC2)cc1C#N ZINC001275171723 1205273501 /nfs/dbraw/zinc/27/35/01/1205273501.db2.gz KRUZVGCLDOXDAE-QRQLOZEOSA-N 2 1 342.487 2.077 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]3CC2)cc1C#N ZINC001275171723 1205273502 /nfs/dbraw/zinc/27/35/02/1205273502.db2.gz KRUZVGCLDOXDAE-QRQLOZEOSA-N 2 1 342.487 2.077 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723055 1208686660 /nfs/dbraw/zinc/68/66/60/1208686660.db2.gz PLJQJIYMUIBSGM-XLIONFOSSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C[C@H]1C ZINC000947723361 1208687387 /nfs/dbraw/zinc/68/73/87/1208687387.db2.gz VKNLITPEBANVKK-HZPDHXFCSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000947723361 1208687390 /nfs/dbraw/zinc/68/73/90/1208687390.db2.gz VKNLITPEBANVKK-HZPDHXFCSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000947723361 1208687393 /nfs/dbraw/zinc/68/73/93/1208687393.db2.gz VKNLITPEBANVKK-HZPDHXFCSA-N 2 1 346.475 2.429 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948436605 1209137210 /nfs/dbraw/zinc/13/72/10/1209137210.db2.gz XSQRFFBXKOQDNR-MOPGFXCFSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948436605 1209137213 /nfs/dbraw/zinc/13/72/13/1209137213.db2.gz XSQRFFBXKOQDNR-MOPGFXCFSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948436605 1209137215 /nfs/dbraw/zinc/13/72/15/1209137215.db2.gz XSQRFFBXKOQDNR-MOPGFXCFSA-N 2 1 333.520 2.301 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000948772074 1209364826 /nfs/dbraw/zinc/36/48/26/1209364826.db2.gz RSTIZGNIARJXOD-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000948772074 1209364829 /nfs/dbraw/zinc/36/48/29/1209364829.db2.gz RSTIZGNIARJXOD-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000948923323 1209454587 /nfs/dbraw/zinc/45/45/87/1209454587.db2.gz FZYBFFGDZQZOAA-SZVBFZGTSA-N 2 1 327.472 2.228 20 30 EEEDMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000948923323 1209454591 /nfs/dbraw/zinc/45/45/91/1209454591.db2.gz FZYBFFGDZQZOAA-SZVBFZGTSA-N 2 1 327.472 2.228 20 30 EEEDMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000948923323 1209454593 /nfs/dbraw/zinc/45/45/93/1209454593.db2.gz FZYBFFGDZQZOAA-SZVBFZGTSA-N 2 1 327.472 2.228 20 30 EEEDMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000948923323 1209454596 /nfs/dbraw/zinc/45/45/96/1209454596.db2.gz FZYBFFGDZQZOAA-SZVBFZGTSA-N 2 1 327.472 2.228 20 30 EEEDMP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000948923851 1209455654 /nfs/dbraw/zinc/45/56/54/1209455654.db2.gz VJPHYBMLKSAPSI-YVWKXTFCSA-N 2 1 339.483 2.066 20 30 EEEDMP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000948923851 1209455656 /nfs/dbraw/zinc/45/56/56/1209455656.db2.gz VJPHYBMLKSAPSI-YVWKXTFCSA-N 2 1 339.483 2.066 20 30 EEEDMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000948923851 1209455658 /nfs/dbraw/zinc/45/56/58/1209455658.db2.gz VJPHYBMLKSAPSI-YVWKXTFCSA-N 2 1 339.483 2.066 20 30 EEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000303869614 1213915993 /nfs/dbraw/zinc/91/59/93/1213915993.db2.gz DZSLYENJNRAZBR-CQSZACIVSA-N 2 1 332.448 2.306 20 30 EEEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000303869613 1213916488 /nfs/dbraw/zinc/91/64/88/1213916488.db2.gz DZSLYENJNRAZBR-AWEZNQCLSA-N 2 1 332.448 2.306 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCSc1nccs1 ZINC000304758459 1216103441 /nfs/dbraw/zinc/10/34/41/1216103441.db2.gz QAXGYHFPOQBKST-LBPRGKRZSA-N 2 1 327.523 2.014 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000304781405 1216105247 /nfs/dbraw/zinc/10/52/47/1216105247.db2.gz GGHYYSZWICFZHY-ZFWWWQNUSA-N 2 1 338.883 2.496 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373059 1217162537 /nfs/dbraw/zinc/16/25/37/1217162537.db2.gz FWKLGQPOGHWDOD-RBUKOAKNSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961401675 1217175980 /nfs/dbraw/zinc/17/59/80/1217175980.db2.gz NHQMCLMXTAFUBE-IBGZPJMESA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000961938414 1217411553 /nfs/dbraw/zinc/41/15/53/1217411553.db2.gz PEULKUULSXTYCY-ACBHZAAOSA-N 2 1 329.488 2.069 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000961938414 1217411557 /nfs/dbraw/zinc/41/15/57/1217411557.db2.gz PEULKUULSXTYCY-ACBHZAAOSA-N 2 1 329.488 2.069 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+]3CCF)C2)CC1 ZINC000963431613 1217625043 /nfs/dbraw/zinc/62/50/43/1217625043.db2.gz XRYPINWLZHMFQC-MOPGFXCFSA-N 2 1 349.494 2.004 20 30 EEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000965063702 1218868232 /nfs/dbraw/zinc/86/82/32/1218868232.db2.gz LKAFAMOGABKWLJ-UEBDJUODSA-N 2 1 342.487 2.347 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114926825 1221617052 /nfs/dbraw/zinc/61/70/52/1221617052.db2.gz CMGFCTVQTVQURL-VQFNDLOPSA-N 2 1 330.476 2.409 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114926825 1221617055 /nfs/dbraw/zinc/61/70/55/1221617055.db2.gz CMGFCTVQTVQURL-VQFNDLOPSA-N 2 1 330.476 2.409 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969013957 1221738939 /nfs/dbraw/zinc/73/89/39/1221738939.db2.gz LHWUESVFFZDYFQ-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969013957 1221738942 /nfs/dbraw/zinc/73/89/42/1221738942.db2.gz LHWUESVFFZDYFQ-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065298 1222600616 /nfs/dbraw/zinc/60/06/16/1222600616.db2.gz ZVIKFDGVCUQTAI-SFHVURJKSA-N 2 1 327.472 2.008 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016663470 1226747923 /nfs/dbraw/zinc/74/79/23/1226747923.db2.gz RQXFPOHVNRFSSZ-RTBURBONSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702018 1226796178 /nfs/dbraw/zinc/79/61/78/1226796178.db2.gz HVQLBMBSHZQOEV-QZTJIDSGSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC001017572321 1227533861 /nfs/dbraw/zinc/53/38/61/1227533861.db2.gz CTFKTIHUEGEYPR-RVKKMQEKSA-N 2 1 343.475 2.041 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001018984767 1228607219 /nfs/dbraw/zinc/60/72/19/1228607219.db2.gz DFPIQQYYUVSEBJ-SNRMKQJTSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001018984767 1228607220 /nfs/dbraw/zinc/60/72/20/1228607220.db2.gz DFPIQQYYUVSEBJ-SNRMKQJTSA-N 2 1 343.446 2.175 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001019820336 1229362581 /nfs/dbraw/zinc/36/25/81/1229362581.db2.gz GQQLRBOFXUBTLY-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140239 1230355516 /nfs/dbraw/zinc/35/55/16/1230355516.db2.gz RDRLYVAGTNVMLC-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140239 1230355521 /nfs/dbraw/zinc/35/55/21/1230355521.db2.gz RDRLYVAGTNVMLC-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140239 1230355524 /nfs/dbraw/zinc/35/55/24/1230355524.db2.gz RDRLYVAGTNVMLC-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314634 1231165466 /nfs/dbraw/zinc/16/54/66/1231165466.db2.gz ULACPNREYOBVIC-TZIWHRDSSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044744254 1233229747 /nfs/dbraw/zinc/22/97/47/1233229747.db2.gz OBPYXCOULOCWJI-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951629 1234218395 /nfs/dbraw/zinc/21/83/95/1234218395.db2.gz GROYMUHJRHFRSF-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951629 1234218399 /nfs/dbraw/zinc/21/83/99/1234218399.db2.gz GROYMUHJRHFRSF-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045964569 1234242509 /nfs/dbraw/zinc/24/25/09/1234242509.db2.gz KTYLDOBJXKZOPH-UYAOXDASSA-N 2 1 333.520 2.301 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046477650 1234847676 /nfs/dbraw/zinc/84/76/76/1234847676.db2.gz UWQGRMFKJXOXAD-GOSISDBHSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046624929 1235007457 /nfs/dbraw/zinc/00/74/57/1235007457.db2.gz DJHLGOIQEHWUSG-LJQANCHMSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046624929 1235007463 /nfs/dbraw/zinc/00/74/63/1235007463.db2.gz DJHLGOIQEHWUSG-LJQANCHMSA-N 2 1 346.475 2.431 20 30 EEEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001046996078 1235408719 /nfs/dbraw/zinc/40/87/19/1235408719.db2.gz SJMZIRYWKIEDSL-MRXNPFEDSA-N 2 1 349.425 2.068 20 30 EEEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001046996078 1235408721 /nfs/dbraw/zinc/40/87/21/1235408721.db2.gz SJMZIRYWKIEDSL-MRXNPFEDSA-N 2 1 349.425 2.068 20 30 EEEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001046996074 1235408940 /nfs/dbraw/zinc/40/89/40/1235408940.db2.gz SJMZIRYWKIEDSL-INIZCTEOSA-N 2 1 349.425 2.068 20 30 EEEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001046996074 1235408942 /nfs/dbraw/zinc/40/89/42/1235408942.db2.gz SJMZIRYWKIEDSL-INIZCTEOSA-N 2 1 349.425 2.068 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001048526666 1237866647 /nfs/dbraw/zinc/86/66/47/1237866647.db2.gz XNBGWTMBGQPNEX-NQYYFHDYSA-N 2 1 331.504 2.264 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574250 1237998820 /nfs/dbraw/zinc/99/88/20/1237998820.db2.gz TZEVJWOZDJJABX-KNJMJIDISA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048574250 1237998829 /nfs/dbraw/zinc/99/88/29/1237998829.db2.gz TZEVJWOZDJJABX-KNJMJIDISA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048574250 1237998835 /nfs/dbraw/zinc/99/88/35/1237998835.db2.gz TZEVJWOZDJJABX-KNJMJIDISA-N 2 1 343.515 2.386 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171012 1240174563 /nfs/dbraw/zinc/17/45/63/1240174563.db2.gz IAZYXUAUEUCEEE-NXOAAHMSSA-N 2 1 339.911 2.250 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049526187 1241250064 /nfs/dbraw/zinc/25/00/64/1241250064.db2.gz UFTMYCQKYAMSNL-GUDVDZBRSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049526187 1241250070 /nfs/dbraw/zinc/25/00/70/1241250070.db2.gz UFTMYCQKYAMSNL-GUDVDZBRSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049526187 1241250078 /nfs/dbraw/zinc/25/00/78/1241250078.db2.gz UFTMYCQKYAMSNL-GUDVDZBRSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049568396 1241452912 /nfs/dbraw/zinc/45/29/12/1241452912.db2.gz VKQBMDFVKNLWRQ-IPMKNSEASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049568396 1241452926 /nfs/dbraw/zinc/45/29/26/1241452926.db2.gz VKQBMDFVKNLWRQ-IPMKNSEASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049568396 1241452933 /nfs/dbraw/zinc/45/29/33/1241452933.db2.gz VKQBMDFVKNLWRQ-IPMKNSEASA-N 2 1 331.504 2.195 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049599993 1241599551 /nfs/dbraw/zinc/59/95/51/1241599551.db2.gz XDEPUORMPCDVCX-ZWKOTPCHSA-N 2 1 328.460 2.013 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049599993 1241599558 /nfs/dbraw/zinc/59/95/58/1241599558.db2.gz XDEPUORMPCDVCX-ZWKOTPCHSA-N 2 1 328.460 2.013 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001142698 1241719541 /nfs/dbraw/zinc/71/95/41/1241719541.db2.gz AYVHIKXFVFCUHS-QGZVFWFLSA-N 2 1 328.460 2.078 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001142698 1241719546 /nfs/dbraw/zinc/71/95/46/1241719546.db2.gz AYVHIKXFVFCUHS-QGZVFWFLSA-N 2 1 328.460 2.078 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049835269 1242360570 /nfs/dbraw/zinc/36/05/70/1242360570.db2.gz HERMVPDPCOXDJU-GUDVDZBRSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049835269 1242360581 /nfs/dbraw/zinc/36/05/81/1242360581.db2.gz HERMVPDPCOXDJU-GUDVDZBRSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049835269 1242360590 /nfs/dbraw/zinc/36/05/90/1242360590.db2.gz HERMVPDPCOXDJU-GUDVDZBRSA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073462515 1242507324 /nfs/dbraw/zinc/50/73/24/1242507324.db2.gz UYAPDLMKFKOXHP-INIZCTEOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073462515 1242507332 /nfs/dbraw/zinc/50/73/32/1242507332.db2.gz UYAPDLMKFKOXHP-INIZCTEOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)CC1 ZINC001050635951 1244002000 /nfs/dbraw/zinc/00/20/00/1244002000.db2.gz VRENPNXYHIHYGO-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050660987 1244066612 /nfs/dbraw/zinc/06/66/12/1244066612.db2.gz LIELKLNZPCFUFC-UHFFFAOYSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001050727677 1244226453 /nfs/dbraw/zinc/22/64/53/1244226453.db2.gz JLAVRCIPETXEPM-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097853962 1244689261 /nfs/dbraw/zinc/68/92/61/1244689261.db2.gz RFZKSJAFBHRNLH-OAFZBRQQSA-N 2 1 337.483 2.497 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001097853962 1244689269 /nfs/dbraw/zinc/68/92/69/1244689269.db2.gz RFZKSJAFBHRNLH-OAFZBRQQSA-N 2 1 337.483 2.497 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001097853962 1244689276 /nfs/dbraw/zinc/68/92/76/1244689276.db2.gz RFZKSJAFBHRNLH-OAFZBRQQSA-N 2 1 337.483 2.497 20 30 EEEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)cccc2C1 ZINC001051300567 1245501108 /nfs/dbraw/zinc/50/11/08/1245501108.db2.gz XFXNGTCKNUIGKA-HNAYVOBHSA-N 2 1 327.472 2.045 20 30 EEEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)cccc2C1 ZINC001051300567 1245501112 /nfs/dbraw/zinc/50/11/12/1245501112.db2.gz XFXNGTCKNUIGKA-HNAYVOBHSA-N 2 1 327.472 2.045 20 30 EEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)cccc2C1 ZINC001051300567 1245501117 /nfs/dbraw/zinc/50/11/17/1245501117.db2.gz XFXNGTCKNUIGKA-HNAYVOBHSA-N 2 1 327.472 2.045 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954892 1245547966 /nfs/dbraw/zinc/54/79/66/1245547966.db2.gz VYFRVRJAIZUHLD-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053038707 1245740113 /nfs/dbraw/zinc/74/01/13/1245740113.db2.gz ANYNMPPONIXXGB-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053040414 1245746059 /nfs/dbraw/zinc/74/60/59/1245746059.db2.gz JOYWGAUNZBJZIO-UXHICEINSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](CCCF)C3)C2)CC1 ZINC001054245290 1247860880 /nfs/dbraw/zinc/86/08/80/1247860880.db2.gz QRYBSFZMKDBHJJ-FQEVSTJZSA-N 2 1 349.494 2.006 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC001054245023 1247863202 /nfs/dbraw/zinc/86/32/02/1247863202.db2.gz MYFSDEWLJCLTAU-NRFANRHFSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071895586 1254762837 /nfs/dbraw/zinc/76/28/37/1254762837.db2.gz AFYXVLOEFLEKIS-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001074878451 1257186451 /nfs/dbraw/zinc/18/64/51/1257186451.db2.gz WCXPZEQQWIZZSY-ZQIUZPCESA-N 2 1 346.500 2.041 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001491119433 1258716102 /nfs/dbraw/zinc/71/61/02/1258716102.db2.gz FAQASSNDNSMKLM-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001100901994 1259414438 /nfs/dbraw/zinc/41/44/38/1259414438.db2.gz YYDKEIWOVMWMDA-UHFFFAOYSA-N 2 1 346.450 2.024 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185783990 1278781792 /nfs/dbraw/zinc/78/17/92/1278781792.db2.gz NOMFZQJEZMONLT-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC/C=C\CCC)C1 ZINC001190721923 1281033489 /nfs/dbraw/zinc/03/34/89/1281033489.db2.gz CHDLQCORCZPLPO-YMHTTXFNSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CCC)C1 ZINC001190721923 1281033499 /nfs/dbraw/zinc/03/34/99/1281033499.db2.gz CHDLQCORCZPLPO-YMHTTXFNSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC/C=C\CCC)C1 ZINC001190721923 1281033507 /nfs/dbraw/zinc/03/35/07/1281033507.db2.gz CHDLQCORCZPLPO-YMHTTXFNSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC/C=C\CCC)C1 ZINC001190721923 1281033518 /nfs/dbraw/zinc/03/35/18/1281033518.db2.gz CHDLQCORCZPLPO-YMHTTXFNSA-N 2 1 331.504 2.363 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001194284382 1282977975 /nfs/dbraw/zinc/97/79/75/1282977975.db2.gz HBSJLRSIFGESDD-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001194284382 1282977976 /nfs/dbraw/zinc/97/79/76/1282977976.db2.gz HBSJLRSIFGESDD-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001194284382 1282977981 /nfs/dbraw/zinc/97/79/81/1282977981.db2.gz HBSJLRSIFGESDD-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211336950 1295827900 /nfs/dbraw/zinc/82/79/00/1295827900.db2.gz GZXHOXMUWNHMJY-VQIMIIECSA-N 2 1 345.487 2.001 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875107 1298732539 /nfs/dbraw/zinc/73/25/39/1298732539.db2.gz MUPZLXCTAGEBCE-BJLQDIEVSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875107 1298732542 /nfs/dbraw/zinc/73/25/42/1298732542.db2.gz MUPZLXCTAGEBCE-BJLQDIEVSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875107 1298732547 /nfs/dbraw/zinc/73/25/47/1298732547.db2.gz MUPZLXCTAGEBCE-BJLQDIEVSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221356468 1298787471 /nfs/dbraw/zinc/78/74/71/1298787471.db2.gz GOSQTAYJJZGZSY-DLBZAZTESA-N 2 1 339.524 2.313 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164948 1298944908 /nfs/dbraw/zinc/94/49/08/1298944908.db2.gz IDXLNENACUCNLN-KRWDZBQOSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC(C)C)C[C@H]21 ZINC001221625802 1298964422 /nfs/dbraw/zinc/96/44/22/1298964422.db2.gz AECRDWUFJNSMPT-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC(C)C)C[C@H]21 ZINC001221625802 1298964430 /nfs/dbraw/zinc/96/44/30/1298964430.db2.gz AECRDWUFJNSMPT-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC(C)C)C[C@H]21 ZINC001221625802 1298964431 /nfs/dbraw/zinc/96/44/31/1298964431.db2.gz AECRDWUFJNSMPT-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC(C)C)C[C@H]21 ZINC001221625802 1298964432 /nfs/dbraw/zinc/96/44/32/1298964432.db2.gz AECRDWUFJNSMPT-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C(F)(F)F ZINC001099345746 1299063928 /nfs/dbraw/zinc/06/39/28/1299063928.db2.gz RNKRKBKGFBIHKO-RBSFLKMASA-N 2 1 347.425 2.416 20 30 EEEDMP C#CCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N(C)CC[NH+](CC)CC ZINC001276979927 1300640678 /nfs/dbraw/zinc/64/06/78/1300640678.db2.gz OJCPSKVDLGDHMD-REPLKXPHSA-N 2 1 333.520 2.158 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001224558081 1300648056 /nfs/dbraw/zinc/64/80/56/1300648056.db2.gz ABEKWAURACYERJ-IBGZPJMESA-N 2 1 337.483 2.050 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC001277007330 1300785235 /nfs/dbraw/zinc/78/52/35/1300785235.db2.gz NRQPPLPTLCBCJC-UHFFFAOYSA-N 2 1 330.451 2.157 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC001277007330 1300785236 /nfs/dbraw/zinc/78/52/36/1300785236.db2.gz NRQPPLPTLCBCJC-UHFFFAOYSA-N 2 1 330.451 2.157 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174608 1302387770 /nfs/dbraw/zinc/38/77/70/1302387770.db2.gz UPPHOLWYKFRNKV-GUDVDZBRSA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174608 1302387781 /nfs/dbraw/zinc/38/77/81/1302387781.db2.gz UPPHOLWYKFRNKV-GUDVDZBRSA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174608 1302387785 /nfs/dbraw/zinc/38/77/85/1302387785.db2.gz UPPHOLWYKFRNKV-GUDVDZBRSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001230571424 1303283581 /nfs/dbraw/zinc/28/35/81/1303283581.db2.gz DOMXGRKJULNGSZ-MSOLQXFVSA-N 2 1 337.483 2.003 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1cccnc1 ZINC001230875882 1303516263 /nfs/dbraw/zinc/51/62/63/1303516263.db2.gz CLSYASYPEJHBTE-UHFFFAOYSA-N 2 1 344.503 2.308 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cccnc1 ZINC001230898692 1303532606 /nfs/dbraw/zinc/53/26/06/1303532606.db2.gz LVOWPTZEJPCWPQ-UHFFFAOYSA-N 2 1 342.487 2.062 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001111499791 1303663891 /nfs/dbraw/zinc/66/38/91/1303663891.db2.gz ZAJCSDKTWYPMRO-QRVBRYPASA-N 2 1 327.472 2.416 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001111499791 1303663894 /nfs/dbraw/zinc/66/38/94/1303663894.db2.gz ZAJCSDKTWYPMRO-QRVBRYPASA-N 2 1 327.472 2.416 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111499791 1303663901 /nfs/dbraw/zinc/66/39/01/1303663901.db2.gz ZAJCSDKTWYPMRO-QRVBRYPASA-N 2 1 327.472 2.416 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111499791 1303663903 /nfs/dbraw/zinc/66/39/03/1303663903.db2.gz ZAJCSDKTWYPMRO-QRVBRYPASA-N 2 1 327.472 2.416 20 30 EEEDMP N#CC1(NC(=O)[C@H]2CCC[C@]23CC[N@@H+](CC2CC[NH2+]CC2)C3)CCC1 ZINC001277821085 1304659842 /nfs/dbraw/zinc/65/98/42/1304659842.db2.gz CRXJKVBYFKLLKC-IEBWSBKVSA-N 2 1 344.503 2.041 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCCCC=C)C[C@H]32)CC1 ZINC001115290024 1304908166 /nfs/dbraw/zinc/90/81/66/1304908166.db2.gz LYPGEQAMWLDNHM-PMOLBWCYSA-N 2 1 343.515 2.124 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001234434975 1304921348 /nfs/dbraw/zinc/92/13/48/1304921348.db2.gz AIXPMBFMVWWTOV-QGZVFWFLSA-N 2 1 330.476 2.261 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160866369 1320296157 /nfs/dbraw/zinc/29/61/57/1320296157.db2.gz BFAHPEKRAFRDGR-KGLIPLIRSA-N 2 1 344.297 2.008 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CCOC)(NC(=O)C[NH+](CC)CC)CC1 ZINC001151375344 1316516521 /nfs/dbraw/zinc/51/65/21/1316516521.db2.gz YHLTYLZPZGHDEL-UHFFFAOYSA-N 2 1 345.915 2.068 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001151415316 1316527941 /nfs/dbraw/zinc/52/79/41/1316527941.db2.gz NEPYYVOMVHAFJZ-CALCHBBNSA-N 2 1 337.508 2.033 20 30 EEEDMP C[NH+](C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC001152528685 1316684046 /nfs/dbraw/zinc/68/40/46/1316684046.db2.gz LCCFESKPYMBPPH-KRWDZBQOSA-N 2 1 342.468 2.128 20 30 EEEDMP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001252595666 1317641998 /nfs/dbraw/zinc/64/19/98/1317641998.db2.gz JIVPXZYZFQZKBA-FYQPLNBISA-N 2 1 346.519 2.383 20 30 EEEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001252595666 1317642002 /nfs/dbraw/zinc/64/20/02/1317642002.db2.gz JIVPXZYZFQZKBA-FYQPLNBISA-N 2 1 346.519 2.383 20 30 EEEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001252595666 1317642007 /nfs/dbraw/zinc/64/20/07/1317642007.db2.gz JIVPXZYZFQZKBA-FYQPLNBISA-N 2 1 346.519 2.383 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC001252848933 1317703899 /nfs/dbraw/zinc/70/38/99/1317703899.db2.gz WMYJJUWHMORLIV-FQEVSTJZSA-N 2 1 347.478 2.151 20 30 EEEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663491 1318161105 /nfs/dbraw/zinc/16/11/05/1318161105.db2.gz CBTMYJVYKKKBEU-VBSBHUPXSA-N 2 1 340.471 2.297 20 30 EEEDMP N#C[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663491 1318161111 /nfs/dbraw/zinc/16/11/11/1318161111.db2.gz CBTMYJVYKKKBEU-VBSBHUPXSA-N 2 1 340.471 2.297 20 30 EEEDMP N#C[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663491 1318161115 /nfs/dbraw/zinc/16/11/15/1318161115.db2.gz CBTMYJVYKKKBEU-VBSBHUPXSA-N 2 1 340.471 2.297 20 30 EEEDMP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942203 1318304096 /nfs/dbraw/zinc/30/40/96/1318304096.db2.gz FIUXZBFJYLCIDB-OAHLLOKOSA-N 2 1 339.443 2.090 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942203 1318304106 /nfs/dbraw/zinc/30/41/06/1318304106.db2.gz FIUXZBFJYLCIDB-OAHLLOKOSA-N 2 1 339.443 2.090 20 30 EEEDMP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158036620 1318979869 /nfs/dbraw/zinc/97/98/69/1318979869.db2.gz DQIAAMHZYWNSHK-UXHICEINSA-N 2 1 339.483 2.008 20 30 EEEDMP C=C(C[NH+]1CCCCC1)c1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001258102066 1319171309 /nfs/dbraw/zinc/17/13/09/1319171309.db2.gz OMVLGYREPLAWEX-HZPDHXFCSA-N 2 1 334.464 2.220 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353039 1320142017 /nfs/dbraw/zinc/14/20/17/1320142017.db2.gz NYORUEQOWZTYQW-LJQANCHMSA-N 2 1 331.504 2.126 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353039 1320142021 /nfs/dbraw/zinc/14/20/21/1320142021.db2.gz NYORUEQOWZTYQW-LJQANCHMSA-N 2 1 331.504 2.126 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353039 1320142023 /nfs/dbraw/zinc/14/20/23/1320142023.db2.gz NYORUEQOWZTYQW-LJQANCHMSA-N 2 1 331.504 2.126 20 30 EEEDMP C=CCCC[NH+]1CCC(CNC(=O)CC[N@H+](C)CC)(COC)CC1 ZINC001162563431 1320899159 /nfs/dbraw/zinc/89/91/59/1320899159.db2.gz JWYVIPOKPJPKBH-UHFFFAOYSA-N 2 1 339.524 2.139 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953622 1323739303 /nfs/dbraw/zinc/73/93/03/1323739303.db2.gz VWVFTZMHALZOGX-IBGZPJMESA-N 2 1 327.472 2.141 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208074175 1324302195 /nfs/dbraw/zinc/30/21/95/1324302195.db2.gz UEFBFGVMRVPMEG-DLBZAZTESA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001208090868 1324310229 /nfs/dbraw/zinc/31/02/29/1324310229.db2.gz YGKKHQNCJPOFHW-QAPCUYQASA-N 2 1 345.491 2.337 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001208090868 1324310235 /nfs/dbraw/zinc/31/02/35/1324310235.db2.gz YGKKHQNCJPOFHW-QAPCUYQASA-N 2 1 345.491 2.337 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC/C=C/CCC)C1 ZINC001208352861 1324445611 /nfs/dbraw/zinc/44/56/11/1324445611.db2.gz QXIRHHBCXWZSPB-KAGICYHLSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC/C=C/CCC)C1 ZINC001208352861 1324445613 /nfs/dbraw/zinc/44/56/13/1324445613.db2.gz QXIRHHBCXWZSPB-KAGICYHLSA-N 2 1 331.504 2.411 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209644128 1324997889 /nfs/dbraw/zinc/99/78/89/1324997889.db2.gz YPALRQZRTLFJBG-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001100459869 1338395842 /nfs/dbraw/zinc/39/58/42/1338395842.db2.gz BXDMCVCNETXGPZ-UHFFFAOYSA-N 2 1 348.516 2.334 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200722547 1338550330 /nfs/dbraw/zinc/55/03/30/1338550330.db2.gz ZNJJNSZETYHQIK-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001402245083 1397894346 /nfs/dbraw/zinc/89/43/46/1397894346.db2.gz NBUDYTNDCOMPJV-HNNXBMFYSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001402245083 1397894356 /nfs/dbraw/zinc/89/43/56/1397894356.db2.gz NBUDYTNDCOMPJV-HNNXBMFYSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001072907582 1370783343 /nfs/dbraw/zinc/78/33/43/1370783343.db2.gz PHSGNOOEWHZUBV-INIZCTEOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907582 1370783346 /nfs/dbraw/zinc/78/33/46/1370783346.db2.gz PHSGNOOEWHZUBV-INIZCTEOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907582 1370783354 /nfs/dbraw/zinc/78/33/54/1370783354.db2.gz PHSGNOOEWHZUBV-INIZCTEOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907582 1370783360 /nfs/dbraw/zinc/78/33/60/1370783360.db2.gz PHSGNOOEWHZUBV-INIZCTEOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212255 1371361293 /nfs/dbraw/zinc/36/12/93/1371361293.db2.gz WEKZAZNLLMOTNH-ZIAGYGMSSA-N 2 1 335.414 2.272 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC001382518121 1382112611 /nfs/dbraw/zinc/11/26/11/1382112611.db2.gz HSCKETPTVJKGFH-CVEARBPZSA-N 2 1 348.516 2.334 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC/C=C/CC)CC1 ZINC001752850839 1406486045 /nfs/dbraw/zinc/48/60/45/1406486045.db2.gz NZZBJHSMPIFYSY-LKFCSYKXSA-N 2 1 331.504 2.457 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC/C=C/CC)CC1 ZINC001752850839 1406486047 /nfs/dbraw/zinc/48/60/47/1406486047.db2.gz NZZBJHSMPIFYSY-LKFCSYKXSA-N 2 1 331.504 2.457 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001401285748 1397120692 /nfs/dbraw/zinc/12/06/92/1397120692.db2.gz AVDDZKXTCCECTH-OCCSQVGLSA-N 2 1 346.313 2.063 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC/C=C/CC)C2)C1 ZINC001754564752 1406926104 /nfs/dbraw/zinc/92/61/04/1406926104.db2.gz IJNPDDQNXNYKCN-FZUCFXCGSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC/C=C/CC)C2)C1 ZINC001754564752 1406926108 /nfs/dbraw/zinc/92/61/08/1406926108.db2.gz IJNPDDQNXNYKCN-FZUCFXCGSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC/C=C/CC)C2)C1 ZINC001754564752 1406926116 /nfs/dbraw/zinc/92/61/16/1406926116.db2.gz IJNPDDQNXNYKCN-FZUCFXCGSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC/C=C/CC)C2)C1 ZINC001754564752 1406926122 /nfs/dbraw/zinc/92/61/22/1406926122.db2.gz IJNPDDQNXNYKCN-FZUCFXCGSA-N 2 1 343.515 2.365 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1CCC[N@H+]1C ZINC001403054384 1398325169 /nfs/dbraw/zinc/32/51/69/1398325169.db2.gz JBNJIXIZBQIHRU-GOSISDBHSA-N 2 1 342.487 2.227 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001754920242 1406997099 /nfs/dbraw/zinc/99/70/99/1406997099.db2.gz XSWZBMGMWCNRTF-PMACEKPBSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001754920242 1406997107 /nfs/dbraw/zinc/99/71/07/1406997107.db2.gz XSWZBMGMWCNRTF-PMACEKPBSA-N 2 1 339.483 2.112 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001424523194 1401151012 /nfs/dbraw/zinc/15/10/12/1401151012.db2.gz WHQVOLIUUITFKN-AWEZNQCLSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001424523194 1401151016 /nfs/dbraw/zinc/15/10/16/1401151016.db2.gz WHQVOLIUUITFKN-AWEZNQCLSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cc(F)ccc1F ZINC001751992536 1406169585 /nfs/dbraw/zinc/16/95/85/1406169585.db2.gz WPQIATLFUZPYMM-SFHVURJKSA-N 2 1 349.425 2.001 20 30 EEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001112396827 1410895927 /nfs/dbraw/zinc/89/59/27/1410895927.db2.gz GQLNJNCSFGUDNO-FCEWJHQRSA-N 2 1 328.460 2.165 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001112493037 758105949 /nfs/dbraw/zinc/10/59/49/758105949.db2.gz MTVOVWMEHJLSDP-RXVVDRJESA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001075454328 760712674 /nfs/dbraw/zinc/71/26/74/760712674.db2.gz QSBKCWBXLMHLDT-PKOBYXMFSA-N 2 1 333.520 2.301 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001167627567 760768933 /nfs/dbraw/zinc/76/89/33/760768933.db2.gz PQBCCYIBVCZZLI-KRWDZBQOSA-N 2 1 348.516 2.479 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001111767151 760826114 /nfs/dbraw/zinc/82/61/14/760826114.db2.gz RDMGTANTMIRJTE-ZOBUZTSGSA-N 2 1 345.890 2.390 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001111767151 760826123 /nfs/dbraw/zinc/82/61/23/760826123.db2.gz RDMGTANTMIRJTE-ZOBUZTSGSA-N 2 1 345.890 2.390 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@H](C)O2 ZINC001098606128 765201658 /nfs/dbraw/zinc/20/16/58/765201658.db2.gz OAKWIIFDORXUFK-KRWDZBQOSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089408806 768845207 /nfs/dbraw/zinc/84/52/07/768845207.db2.gz HWHRHLPOOADFHY-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089408806 768845221 /nfs/dbraw/zinc/84/52/21/768845221.db2.gz HWHRHLPOOADFHY-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089408806 768845234 /nfs/dbraw/zinc/84/52/34/768845234.db2.gz HWHRHLPOOADFHY-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089408806 768845245 /nfs/dbraw/zinc/84/52/45/768845245.db2.gz HWHRHLPOOADFHY-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089408806 768845258 /nfs/dbraw/zinc/84/52/58/768845258.db2.gz HWHRHLPOOADFHY-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078546 782872576 /nfs/dbraw/zinc/87/25/76/782872576.db2.gz LXRWCDPOOASPRV-HBFSDRIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088078546 782872585 /nfs/dbraw/zinc/87/25/85/782872585.db2.gz LXRWCDPOOASPRV-HBFSDRIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088078546 782872595 /nfs/dbraw/zinc/87/25/95/782872595.db2.gz LXRWCDPOOASPRV-HBFSDRIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000979710259 770922040 /nfs/dbraw/zinc/92/20/40/770922040.db2.gz KDJSKBRYSCCWHT-OKZBNKHCSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639842 773638075 /nfs/dbraw/zinc/63/80/75/773638075.db2.gz ZZXUIQLFLRCCFW-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089639842 773638078 /nfs/dbraw/zinc/63/80/78/773638078.db2.gz ZZXUIQLFLRCCFW-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001089639842 773638081 /nfs/dbraw/zinc/63/80/81/773638081.db2.gz ZZXUIQLFLRCCFW-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000979999349 773689004 /nfs/dbraw/zinc/68/90/04/773689004.db2.gz JBRDFBLJQDSNOK-OTWHNJEPSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089649165 773758156 /nfs/dbraw/zinc/75/81/56/773758156.db2.gz CPQOXCBSXWOYJB-QZTJIDSGSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649165 773758162 /nfs/dbraw/zinc/75/81/62/773758162.db2.gz CPQOXCBSXWOYJB-QZTJIDSGSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649165 773758167 /nfs/dbraw/zinc/75/81/67/773758167.db2.gz CPQOXCBSXWOYJB-QZTJIDSGSA-N 2 1 333.520 2.204 20 30 EEEDMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001028116225 778037868 /nfs/dbraw/zinc/03/78/68/778037868.db2.gz DXJTYRIYLHDYQF-OAHLLOKOSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001028116225 778037879 /nfs/dbraw/zinc/03/78/79/778037879.db2.gz DXJTYRIYLHDYQF-OAHLLOKOSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001028151868 778521173 /nfs/dbraw/zinc/52/11/73/778521173.db2.gz IXUJERXVQRTLCA-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151868 778521179 /nfs/dbraw/zinc/52/11/79/778521179.db2.gz IXUJERXVQRTLCA-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151868 778521183 /nfs/dbraw/zinc/52/11/83/778521183.db2.gz IXUJERXVQRTLCA-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052556 779000379 /nfs/dbraw/zinc/00/03/79/779000379.db2.gz PQXPBSOIONPLME-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052556 779000388 /nfs/dbraw/zinc/00/03/88/779000388.db2.gz PQXPBSOIONPLME-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000982052556 779000399 /nfs/dbraw/zinc/00/03/99/779000399.db2.gz PQXPBSOIONPLME-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279892 779519139 /nfs/dbraw/zinc/51/91/39/779519139.db2.gz LUCYXMHXDJRPJD-JYRKZWEQSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279892 779519143 /nfs/dbraw/zinc/51/91/43/779519143.db2.gz LUCYXMHXDJRPJD-JYRKZWEQSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982279892 779519152 /nfs/dbraw/zinc/51/91/52/779519152.db2.gz LUCYXMHXDJRPJD-JYRKZWEQSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982281225 779526884 /nfs/dbraw/zinc/52/68/84/779526884.db2.gz QILHCLFBMSUBIJ-OYRHEFFESA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982285359 779546573 /nfs/dbraw/zinc/54/65/73/779546573.db2.gz AWWAXDSHDCTJLZ-KVPLUYHFSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982285359 779546578 /nfs/dbraw/zinc/54/65/78/779546578.db2.gz AWWAXDSHDCTJLZ-KVPLUYHFSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982285359 779546579 /nfs/dbraw/zinc/54/65/79/779546579.db2.gz AWWAXDSHDCTJLZ-KVPLUYHFSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@H]1CC ZINC001087580846 781887739 /nfs/dbraw/zinc/88/77/39/781887739.db2.gz AZZLXKBFMUXUHE-DLBZAZTESA-N 2 1 330.476 2.307 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035257273 784207148 /nfs/dbraw/zinc/20/71/48/784207148.db2.gz VGCQIHNYFSDKOZ-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135980184 784906346 /nfs/dbraw/zinc/90/63/46/784906346.db2.gz MDTUYQXFSJTXPV-LSDHHAIUSA-N 2 1 348.466 2.412 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135976051 784925914 /nfs/dbraw/zinc/92/59/14/784925914.db2.gz GHRZJQAOGVXYNT-STQMWFEESA-N 2 1 334.302 2.110 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035858345 785300484 /nfs/dbraw/zinc/30/04/84/785300484.db2.gz UNYNAWGIMPKYST-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001108164380 785456593 /nfs/dbraw/zinc/45/65/93/785456593.db2.gz WETDALCHSBBPOU-LJQANCHMSA-N 2 1 349.475 2.128 20 30 EEEDMP N#CC1(Nc2ncc3c(n2)C[NH2+]CC3)CC[NH+](Cc2ccccc2)CC1 ZINC001171274627 791119190 /nfs/dbraw/zinc/11/91/90/791119190.db2.gz LUSYDJZWOKJXMZ-UHFFFAOYSA-N 2 1 348.454 2.093 20 30 EEEDMP CSC(C)(C)CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912507172 788214559 /nfs/dbraw/zinc/21/45/59/788214559.db2.gz WQXOHABURZLCED-UHFFFAOYSA-N 2 1 344.569 2.184 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000997093788 788775384 /nfs/dbraw/zinc/77/53/84/788775384.db2.gz OEEYAYHBIKPZAG-HZPDHXFCSA-N 2 1 325.884 2.336 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859475 788824468 /nfs/dbraw/zinc/82/44/68/788824468.db2.gz WQBMCTFVZBAZFQ-HAGHYFMRSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947853923 789110238 /nfs/dbraw/zinc/11/02/38/789110238.db2.gz XZFJZBOPJPNZNV-HOTGVXAUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947853923 789110242 /nfs/dbraw/zinc/11/02/42/789110242.db2.gz XZFJZBOPJPNZNV-HOTGVXAUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001006001280 789231461 /nfs/dbraw/zinc/23/14/61/789231461.db2.gz LSGPNZWRJHSOPO-MRXNPFEDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(O)c2C)CC1 ZINC001144121193 789265534 /nfs/dbraw/zinc/26/55/34/789265534.db2.gz GIDIEARPNSDDBU-UHFFFAOYSA-N 2 1 329.488 2.492 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)C2CCCCC2)CC1 ZINC000844780151 789370769 /nfs/dbraw/zinc/37/07/69/789370769.db2.gz TUVZRFIBBLOHRY-UHFFFAOYSA-N 2 1 333.520 2.493 20 30 EEEDMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001171215830 790074324 /nfs/dbraw/zinc/07/43/24/790074324.db2.gz CYNAFHPNSJLHQH-KRWDZBQOSA-N 2 1 347.890 2.129 20 30 EEEDMP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707178 791441733 /nfs/dbraw/zinc/44/17/33/791441733.db2.gz OFVKKAXWIOIJTI-ZWKOTPCHSA-N 2 1 347.503 2.194 20 30 EEEDMP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707178 791441740 /nfs/dbraw/zinc/44/17/40/791441740.db2.gz OFVKKAXWIOIJTI-ZWKOTPCHSA-N 2 1 347.503 2.194 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573165 791873496 /nfs/dbraw/zinc/87/34/96/791873496.db2.gz VATYWCCITXUWPJ-WMZOPIPTSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)C1 ZINC001147829521 791987910 /nfs/dbraw/zinc/98/79/10/791987910.db2.gz KIHUJPNULCTUKV-UHFFFAOYSA-N 2 1 342.487 2.408 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091730950 792542652 /nfs/dbraw/zinc/54/26/52/792542652.db2.gz JXVOCXWIVJRFAC-GGPKGHCWSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091730950 792542658 /nfs/dbraw/zinc/54/26/58/792542658.db2.gz JXVOCXWIVJRFAC-GGPKGHCWSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091730950 792542663 /nfs/dbraw/zinc/54/26/63/792542663.db2.gz JXVOCXWIVJRFAC-GGPKGHCWSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001086882729 792894397 /nfs/dbraw/zinc/89/43/97/792894397.db2.gz IFWBHENPSFJQSN-XHSDSOJGSA-N 2 1 327.900 2.488 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938151 793023107 /nfs/dbraw/zinc/02/31/07/793023107.db2.gz JKZAUVDNQNWIDJ-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086940923 793029735 /nfs/dbraw/zinc/02/97/35/793029735.db2.gz DQKMUJLOXSDHID-KRWDZBQOSA-N 2 1 331.504 2.055 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998995788 793649300 /nfs/dbraw/zinc/64/93/00/793649300.db2.gz VCNNBEXSMCHXJK-MQBCKMQZSA-N 2 1 346.500 2.183 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092296939 793813262 /nfs/dbraw/zinc/81/32/62/793813262.db2.gz NLOMNXHNRQAOSZ-QUCCMNQESA-N 2 1 327.472 2.328 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)CC)C2 ZINC001109968693 806295785 /nfs/dbraw/zinc/29/57/85/806295785.db2.gz ICPIBDGZZLGGRB-FUMNGEBKSA-N 2 1 339.483 2.424 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109968693 806295794 /nfs/dbraw/zinc/29/57/94/806295794.db2.gz ICPIBDGZZLGGRB-FUMNGEBKSA-N 2 1 339.483 2.424 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109968693 806295807 /nfs/dbraw/zinc/29/58/07/806295807.db2.gz ICPIBDGZZLGGRB-FUMNGEBKSA-N 2 1 339.483 2.424 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109968693 806295815 /nfs/dbraw/zinc/29/58/15/806295815.db2.gz ICPIBDGZZLGGRB-FUMNGEBKSA-N 2 1 339.483 2.424 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092967889 794506004 /nfs/dbraw/zinc/50/60/04/794506004.db2.gz IZZHOJONVPIOIG-HZPDHXFCSA-N 2 1 346.475 2.144 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092967889 794506012 /nfs/dbraw/zinc/50/60/12/794506012.db2.gz IZZHOJONVPIOIG-HZPDHXFCSA-N 2 1 346.475 2.144 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999506532 794556641 /nfs/dbraw/zinc/55/66/41/794556641.db2.gz BNVOJFUPZMDXSJ-YOEHRIQHSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001093374063 795108039 /nfs/dbraw/zinc/10/80/39/795108039.db2.gz YJWQGYXSVVJYQD-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001093374063 795108042 /nfs/dbraw/zinc/10/80/42/795108042.db2.gz YJWQGYXSVVJYQD-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001093374063 795108044 /nfs/dbraw/zinc/10/80/44/795108044.db2.gz YJWQGYXSVVJYQD-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001093378898 795115485 /nfs/dbraw/zinc/11/54/85/795115485.db2.gz VOIKCSMPXQHVOH-IBGZPJMESA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093378843 795115895 /nfs/dbraw/zinc/11/58/95/795115895.db2.gz UWPNXRCZZCHLST-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992588 795244877 /nfs/dbraw/zinc/24/48/77/795244877.db2.gz ADPVOFXHBRDYGI-FUHWJXTLSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036867588 795610660 /nfs/dbraw/zinc/61/06/60/795610660.db2.gz XEIGPIGHNLBPLJ-UXHICEINSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC(CC)CC)CC1 ZINC001032800650 796449478 /nfs/dbraw/zinc/44/94/78/796449478.db2.gz RQUDZLXIHGCYNK-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001172120982 796895094 /nfs/dbraw/zinc/89/50/94/796895094.db2.gz AYIFQQPSELLQEP-REPLKXPHSA-N 2 1 339.487 2.481 20 30 EEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001172120982 796895100 /nfs/dbraw/zinc/89/51/00/796895100.db2.gz AYIFQQPSELLQEP-REPLKXPHSA-N 2 1 339.487 2.481 20 30 EEEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001172120982 796895105 /nfs/dbraw/zinc/89/51/05/796895105.db2.gz AYIFQQPSELLQEP-REPLKXPHSA-N 2 1 339.487 2.481 20 30 EEEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001172120982 796895110 /nfs/dbraw/zinc/89/51/10/796895110.db2.gz AYIFQQPSELLQEP-REPLKXPHSA-N 2 1 339.487 2.481 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001002036763 797499251 /nfs/dbraw/zinc/49/92/51/797499251.db2.gz KSSBJGWGVYPISJ-LJQANCHMSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084769214 798444803 /nfs/dbraw/zinc/44/48/03/798444803.db2.gz ZTLNXHIERMCXEN-QFUCXCTJSA-N 2 1 339.483 2.019 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084769214 798444806 /nfs/dbraw/zinc/44/48/06/798444806.db2.gz ZTLNXHIERMCXEN-QFUCXCTJSA-N 2 1 339.483 2.019 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001177158699 798780416 /nfs/dbraw/zinc/78/04/16/798780416.db2.gz ZHLYAUVUWMGTOY-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001177158699 798780419 /nfs/dbraw/zinc/78/04/19/798780419.db2.gz ZHLYAUVUWMGTOY-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001177316785 798855907 /nfs/dbraw/zinc/85/59/07/798855907.db2.gz GZCDYPOSVOVRES-VQTJNVASSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001179371475 799903975 /nfs/dbraw/zinc/90/39/75/799903975.db2.gz RRYQBYOGPJOCBQ-SFHVURJKSA-N 2 1 339.524 2.328 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(=C)C)CC1 ZINC001004460431 802128221 /nfs/dbraw/zinc/12/82/21/802128221.db2.gz ZEPKWUHIDWWBAO-UXHICEINSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC(=C)C)CC1 ZINC001004460431 802128228 /nfs/dbraw/zinc/12/82/28/802128228.db2.gz ZEPKWUHIDWWBAO-UXHICEINSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(=C)C)CC1 ZINC001004460431 802128237 /nfs/dbraw/zinc/12/82/37/802128237.db2.gz ZEPKWUHIDWWBAO-UXHICEINSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC(=C)C)CC1 ZINC001004460431 802128241 /nfs/dbraw/zinc/12/82/41/802128241.db2.gz ZEPKWUHIDWWBAO-UXHICEINSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC(=C)C)CC1 ZINC001004460431 802128245 /nfs/dbraw/zinc/12/82/45/802128245.db2.gz ZEPKWUHIDWWBAO-UXHICEINSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004460542 802129019 /nfs/dbraw/zinc/12/90/19/802129019.db2.gz ZUELVBLWEMCCMB-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004460542 802129025 /nfs/dbraw/zinc/12/90/25/802129025.db2.gz ZUELVBLWEMCCMB-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004460542 802129029 /nfs/dbraw/zinc/12/90/29/802129029.db2.gz ZUELVBLWEMCCMB-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001086122613 802222883 /nfs/dbraw/zinc/22/28/83/802222883.db2.gz RHLJWRSKOKKCMX-JKIFEVAISA-N 2 1 346.500 2.088 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004585796 802425664 /nfs/dbraw/zinc/42/56/64/802425664.db2.gz LGERDSJJQANYLA-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001004598840 802456607 /nfs/dbraw/zinc/45/66/07/802456607.db2.gz XSCASZGKYNYLJS-SFHVURJKSA-N 2 1 340.471 2.097 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657876 802679433 /nfs/dbraw/zinc/67/94/33/802679433.db2.gz WQVXTLKFQLTMDE-OTWHNJEPSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657876 802679436 /nfs/dbraw/zinc/67/94/36/802679436.db2.gz WQVXTLKFQLTMDE-OTWHNJEPSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657876 802679439 /nfs/dbraw/zinc/67/94/39/802679439.db2.gz WQVXTLKFQLTMDE-OTWHNJEPSA-N 2 1 333.520 2.463 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086401930 802896019 /nfs/dbraw/zinc/89/60/19/802896019.db2.gz ATVAANKBMMWXMQ-FHWLQOOXSA-N 2 1 340.471 2.027 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728555 802913472 /nfs/dbraw/zinc/91/34/72/802913472.db2.gz GOIPBLLWSJYNDR-ZCNNSNEGSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728555 802913480 /nfs/dbraw/zinc/91/34/80/802913480.db2.gz GOIPBLLWSJYNDR-ZCNNSNEGSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728555 802913486 /nfs/dbraw/zinc/91/34/86/802913486.db2.gz GOIPBLLWSJYNDR-ZCNNSNEGSA-N 2 1 345.531 2.302 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797657 804053156 /nfs/dbraw/zinc/05/31/56/804053156.db2.gz IDSJYULDCJAGAG-LPHOPBHVSA-N 2 1 342.487 2.417 20 30 EEEDMP C=CCCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001113345691 808783546 /nfs/dbraw/zinc/78/35/46/808783546.db2.gz CBNIOQSRWKLERX-SFHVURJKSA-N 2 1 325.472 2.309 20 30 EEEDMP C=CCCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001113345691 808783551 /nfs/dbraw/zinc/78/35/51/808783551.db2.gz CBNIOQSRWKLERX-SFHVURJKSA-N 2 1 325.472 2.309 20 30 EEEDMP CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)CC1CC[NH+](C)CC1 ZINC001438915926 1091577472 /nfs/dbraw/zinc/57/74/72/1091577472.db2.gz HVPTUBALPCDHNP-UHFFFAOYSA-N 2 1 342.487 2.180 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001439804821 1092762923 /nfs/dbraw/zinc/76/29/23/1092762923.db2.gz IRAOREDDCLLCHX-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001439804821 1092762929 /nfs/dbraw/zinc/76/29/29/1092762929.db2.gz IRAOREDDCLLCHX-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001521504506 1119256341 /nfs/dbraw/zinc/25/63/41/1119256341.db2.gz WFFUYUIQRHUHTF-SFHVURJKSA-N 2 1 330.476 2.056 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448013510 242354099 /nfs/dbraw/zinc/35/40/99/242354099.db2.gz XDRPBDRTQJMGLV-KRWDZBQOSA-N 2 1 336.524 2.447 20 30 EEEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133087 218196495 /nfs/dbraw/zinc/19/64/95/218196495.db2.gz BYRHERHRKJPXIY-FQEVSTJZSA-N 2 1 341.499 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700691 782094049 /nfs/dbraw/zinc/09/40/49/782094049.db2.gz UWPYFHPHBUBDPC-RCCFBDPRSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700691 782094060 /nfs/dbraw/zinc/09/40/60/782094060.db2.gz UWPYFHPHBUBDPC-RCCFBDPRSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700691 782094065 /nfs/dbraw/zinc/09/40/65/782094065.db2.gz UWPYFHPHBUBDPC-RCCFBDPRSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700691 782094072 /nfs/dbraw/zinc/09/40/72/782094072.db2.gz UWPYFHPHBUBDPC-RCCFBDPRSA-N 2 1 337.508 2.031 20 30 EEEDMP C[NH+](C)CCCC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000123251420 463327773 /nfs/dbraw/zinc/32/77/73/463327773.db2.gz VGGFCHFGQQTMGV-GOSISDBHSA-N 2 1 328.460 2.138 20 30 EEEDMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000123812098 463369800 /nfs/dbraw/zinc/36/98/00/463369800.db2.gz DHIDDWDAMZAVRF-INIZCTEOSA-N 2 1 343.475 2.017 20 30 EEEDMP C[C@H]1C[N@@H+](CCCNC(=[NH2+])Nc2cc(F)ccc2F)CCCO1 ZINC000288726041 464056952 /nfs/dbraw/zinc/05/69/52/464056952.db2.gz MSVHEQDVZLNXQU-LBPRGKRZSA-N 2 1 326.391 2.192 20 30 EEEDMP C=CC[N@H+](CCc1ccco1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000352929007 465568558 /nfs/dbraw/zinc/56/85/58/465568558.db2.gz FRQTXGUZXVWVHT-UHFFFAOYSA-N 2 1 341.459 2.052 20 30 EEEDMP C=CC[N@@H+](CCc1ccco1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000352929007 465568565 /nfs/dbraw/zinc/56/85/65/465568565.db2.gz FRQTXGUZXVWVHT-UHFFFAOYSA-N 2 1 341.459 2.052 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000376744068 466928365 /nfs/dbraw/zinc/92/83/65/466928365.db2.gz PIAFNBZGZCVHHG-JWTNVVGKSA-N 2 1 334.508 2.294 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424152069 466991855 /nfs/dbraw/zinc/99/18/55/466991855.db2.gz IBKZRIQVUNICJG-KBAYOESNSA-N 2 1 328.460 2.177 20 30 EEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000558753984 468713516 /nfs/dbraw/zinc/71/35/16/468713516.db2.gz YBLVGUTZSHLJEJ-ZIFCJYIRSA-N 2 1 345.487 2.256 20 30 EEEDMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000603111525 469267628 /nfs/dbraw/zinc/26/76/28/469267628.db2.gz RKBCTSSGCOQQSL-IBGZPJMESA-N 2 1 345.487 2.496 20 30 EEEDMP C=CCn1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nn1 ZINC000643794374 470786024 /nfs/dbraw/zinc/78/60/24/470786024.db2.gz GENGOQKCWGQDKR-UHFFFAOYSA-N 2 1 341.459 2.229 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114643409 526926627 /nfs/dbraw/zinc/92/66/27/526926627.db2.gz KUCLNKNEFVHGAG-FQEVSTJZSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000730277970 577014969 /nfs/dbraw/zinc/01/49/69/577014969.db2.gz HUQXLLMCHUHROT-FQEVSTJZSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000730277970 577014971 /nfs/dbraw/zinc/01/49/71/577014971.db2.gz HUQXLLMCHUHROT-FQEVSTJZSA-N 2 1 339.483 2.173 20 30 EEEDMP CCN(CC)c1ccc(C=[NH+]NC(=S)NCCC[NH+](C)C)cc1 ZINC000731928378 577135826 /nfs/dbraw/zinc/13/58/26/577135826.db2.gz JFTDJSBICKSSTK-UHFFFAOYSA-N 2 1 335.521 2.283 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969832115 675236688 /nfs/dbraw/zinc/23/66/88/675236688.db2.gz DWKHIJLUENGQAQ-LPHOPBHVSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622601 676276943 /nfs/dbraw/zinc/27/69/43/676276943.db2.gz KLEUXBGLZJPALS-PKOBYXMFSA-N 2 1 336.439 2.284 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021692305 676350549 /nfs/dbraw/zinc/35/05/49/676350549.db2.gz SZXYXRJKTAASGF-VQTJNVASSA-N 2 1 339.483 2.308 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707850 676366792 /nfs/dbraw/zinc/36/67/92/676366792.db2.gz YSYNXHKDPJXDEI-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673211 676732458 /nfs/dbraw/zinc/73/24/58/676732458.db2.gz CVZVJDSQJRNWCK-HOTGVXAUSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000971673211 676732459 /nfs/dbraw/zinc/73/24/59/676732459.db2.gz CVZVJDSQJRNWCK-HOTGVXAUSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971673211 676732461 /nfs/dbraw/zinc/73/24/61/676732461.db2.gz CVZVJDSQJRNWCK-HOTGVXAUSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971673211 676732462 /nfs/dbraw/zinc/73/24/62/676732462.db2.gz CVZVJDSQJRNWCK-HOTGVXAUSA-N 2 1 327.900 2.250 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001022221033 676742610 /nfs/dbraw/zinc/74/26/10/676742610.db2.gz VULWPBRKUSUMFK-JZXOWHBKSA-N 2 1 345.874 2.174 20 30 EEEDMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC000972264927 678467926 /nfs/dbraw/zinc/46/79/26/678467926.db2.gz IRZUKZYKGZAKDR-RTBURBONSA-N 2 1 342.487 2.177 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508017 679346530 /nfs/dbraw/zinc/34/65/30/679346530.db2.gz GIGPIYQHIHDXME-KRWDZBQOSA-N 2 1 329.488 2.419 20 30 EEEDMP CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479956 679962494 /nfs/dbraw/zinc/96/24/94/679962494.db2.gz VEMFNFZIBULIIH-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479956 679962495 /nfs/dbraw/zinc/96/24/95/679962495.db2.gz VEMFNFZIBULIIH-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479956 679962499 /nfs/dbraw/zinc/96/24/99/679962499.db2.gz VEMFNFZIBULIIH-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479956 679962500 /nfs/dbraw/zinc/96/25/00/679962500.db2.gz VEMFNFZIBULIIH-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479956 679962503 /nfs/dbraw/zinc/96/25/03/679962503.db2.gz VEMFNFZIBULIIH-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624511 681291918 /nfs/dbraw/zinc/29/19/18/681291918.db2.gz UFFAFEXDRYOJMT-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624511 681291921 /nfs/dbraw/zinc/29/19/21/681291921.db2.gz UFFAFEXDRYOJMT-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755575 682109522 /nfs/dbraw/zinc/10/95/22/682109522.db2.gz QISJQUDCSQYPIG-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755575 682109523 /nfs/dbraw/zinc/10/95/23/682109523.db2.gz QISJQUDCSQYPIG-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755575 682109526 /nfs/dbraw/zinc/10/95/26/682109526.db2.gz QISJQUDCSQYPIG-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC000992774114 683432645 /nfs/dbraw/zinc/43/26/45/683432645.db2.gz SMDANJMGTSUNLX-ARFHVFGLSA-N 2 1 336.867 2.161 20 30 EEEDMP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]12 ZINC001026370232 684465831 /nfs/dbraw/zinc/46/58/31/684465831.db2.gz QWWVJAAQARSIKB-IXDOHACOSA-N 2 1 330.476 2.409 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000979073940 694165350 /nfs/dbraw/zinc/16/53/50/694165350.db2.gz ARUKMFKVSQBSHE-LDLYASANSA-N 2 1 327.472 2.232 20 30 EEEDMP C=C(Cl)CN(CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001481184617 1180023107 /nfs/dbraw/zinc/02/31/07/1180023107.db2.gz RCFDUWZJMIJVEE-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001088413208 1186825776 /nfs/dbraw/zinc/82/57/76/1186825776.db2.gz ALISMKDOICLPCE-HOTGVXAUSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(C)CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001105487199 1188103794 /nfs/dbraw/zinc/10/37/94/1188103794.db2.gz URJAQGFDZAGEFM-ZJRDLVKKSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001105576886 1188191247 /nfs/dbraw/zinc/19/12/47/1188191247.db2.gz NMQSCZKEAKUUOW-SFHVURJKSA-N 2 1 342.487 2.356 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991066287 1189805328 /nfs/dbraw/zinc/80/53/28/1189805328.db2.gz IDECMQPTUSWBRR-FRQCXROJSA-N 2 1 328.460 2.450 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991066287 1189805334 /nfs/dbraw/zinc/80/53/34/1189805334.db2.gz IDECMQPTUSWBRR-FRQCXROJSA-N 2 1 328.460 2.450 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365980 1194481377 /nfs/dbraw/zinc/48/13/77/1194481377.db2.gz RWSGHTQTZIAXRN-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365980 1194481379 /nfs/dbraw/zinc/48/13/79/1194481379.db2.gz RWSGHTQTZIAXRN-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365980 1194481382 /nfs/dbraw/zinc/48/13/82/1194481382.db2.gz RWSGHTQTZIAXRN-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444579 1196219203 /nfs/dbraw/zinc/21/92/03/1196219203.db2.gz JHIDZWBEFBBEKU-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001112543015 1196451085 /nfs/dbraw/zinc/45/10/85/1196451085.db2.gz FAJLQJMTOCPZPG-GJYPPUQNSA-N 2 1 330.476 2.383 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132331148 1199578318 /nfs/dbraw/zinc/57/83/18/1199578318.db2.gz LVVHGTIABFZBAH-IAGOWNOFSA-N 2 1 348.491 2.178 20 30 EEEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132331148 1199578322 /nfs/dbraw/zinc/57/83/22/1199578322.db2.gz LVVHGTIABFZBAH-IAGOWNOFSA-N 2 1 348.491 2.178 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133145953 1200519381 /nfs/dbraw/zinc/51/93/81/1200519381.db2.gz FSZJXBTUQYCKCX-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133145957 1200519631 /nfs/dbraw/zinc/51/96/31/1200519631.db2.gz FSZJXBTUQYCKCX-SJORKVTESA-N 2 1 330.476 2.104 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133404074 1200866919 /nfs/dbraw/zinc/86/69/19/1200866919.db2.gz WQKLHWHZLYUGIC-CRAIPNDOSA-N 2 1 347.890 2.089 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cn1cc[nH+]c1C ZINC001133410530 1200878505 /nfs/dbraw/zinc/87/85/05/1200878505.db2.gz LPGKUXSMRTUOSZ-UHFFFAOYSA-N 2 1 344.846 2.097 20 30 EEEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001133410555 1200880416 /nfs/dbraw/zinc/88/04/16/1200880416.db2.gz NCCANKWPBJGRQN-MRXNPFEDSA-N 2 1 335.879 2.396 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000890361101 1204839323 /nfs/dbraw/zinc/83/93/23/1204839323.db2.gz JUKPPIZGCNBETE-LJQANCHMSA-N 2 1 348.535 2.093 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000890361101 1204839328 /nfs/dbraw/zinc/83/93/28/1204839328.db2.gz JUKPPIZGCNBETE-LJQANCHMSA-N 2 1 348.535 2.093 20 30 EEEDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001274920579 1205210624 /nfs/dbraw/zinc/21/06/24/1205210624.db2.gz JEKWCANTTHQBOL-UHFFFAOYSA-N 2 1 340.515 2.450 20 30 EEEDMP C[NH+](C)CCN1CCC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001274920579 1205210627 /nfs/dbraw/zinc/21/06/27/1205210627.db2.gz JEKWCANTTHQBOL-UHFFFAOYSA-N 2 1 340.515 2.450 20 30 EEEDMP COCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001274987887 1205226596 /nfs/dbraw/zinc/22/65/96/1205226596.db2.gz JZBLFZGIQDZDIA-KDURUIRLSA-N 2 1 344.503 2.467 20 30 EEEDMP COCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001274987887 1205226597 /nfs/dbraw/zinc/22/65/97/1205226597.db2.gz JZBLFZGIQDZDIA-KDURUIRLSA-N 2 1 344.503 2.467 20 30 EEEDMP N#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)s1 ZINC001275588978 1205433986 /nfs/dbraw/zinc/43/39/86/1205433986.db2.gz JZRVPJFZSOYHGC-UHFFFAOYSA-N 2 1 327.457 2.441 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C#N ZINC001111230373 1208397106 /nfs/dbraw/zinc/39/71/06/1208397106.db2.gz NABMEAHTYHJESI-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001111230373 1208397109 /nfs/dbraw/zinc/39/71/09/1208397109.db2.gz NABMEAHTYHJESI-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001111230373 1208397112 /nfs/dbraw/zinc/39/71/12/1208397112.db2.gz NABMEAHTYHJESI-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111230373 1208397117 /nfs/dbraw/zinc/39/71/17/1208397117.db2.gz NABMEAHTYHJESI-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111230373 1208397121 /nfs/dbraw/zinc/39/71/21/1208397121.db2.gz NABMEAHTYHJESI-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947568096 1208624077 /nfs/dbraw/zinc/62/40/77/1208624077.db2.gz JDEBINRDLFFPJL-MJGOQNOKSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439157 1209138622 /nfs/dbraw/zinc/13/86/22/1209138622.db2.gz ISRDCEWKFNUUNS-DLBZAZTESA-N 2 1 328.460 2.097 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439157 1209138625 /nfs/dbraw/zinc/13/86/25/1209138625.db2.gz ISRDCEWKFNUUNS-DLBZAZTESA-N 2 1 328.460 2.097 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948717128 1209322165 /nfs/dbraw/zinc/32/21/65/1209322165.db2.gz MWXYSYLEBOORFV-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948717128 1209322169 /nfs/dbraw/zinc/32/21/69/1209322169.db2.gz MWXYSYLEBOORFV-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948779234 1209370901 /nfs/dbraw/zinc/37/09/01/1209370901.db2.gz LMYHVUOOGIYEAF-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948779234 1209370902 /nfs/dbraw/zinc/37/09/02/1209370902.db2.gz LMYHVUOOGIYEAF-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303885722 1213920990 /nfs/dbraw/zinc/92/09/90/1213920990.db2.gz JYUWEPPZCAXORR-QZTJIDSGSA-N 3 1 337.556 2.132 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1OC1CCCC1 ZINC000303889848 1213921079 /nfs/dbraw/zinc/92/10/79/1213921079.db2.gz MFDPIAGMRARUPJ-MRXNPFEDSA-N 2 1 345.491 2.292 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000304757189 1216103459 /nfs/dbraw/zinc/10/34/59/1216103459.db2.gz ONTABMFSLJCNOG-SFHVURJKSA-N 2 1 347.482 2.137 20 30 EEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000960332682 1216499611 /nfs/dbraw/zinc/49/96/11/1216499611.db2.gz DCYIFSVRCAOHEO-CEXWTWQISA-N 2 1 327.472 2.419 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961202043 1217086672 /nfs/dbraw/zinc/08/66/72/1217086672.db2.gz PGSFFGSJSWWWIZ-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC000963428011 1217622081 /nfs/dbraw/zinc/62/20/81/1217622081.db2.gz JHLAQQCEYXPOSB-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401783 1220483431 /nfs/dbraw/zinc/48/34/31/1220483431.db2.gz HAPVSICKMJIZNB-DOTOQJQBSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401783 1220483434 /nfs/dbraw/zinc/48/34/34/1220483434.db2.gz HAPVSICKMJIZNB-DOTOQJQBSA-N 2 1 330.476 2.165 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCC(=C)C)CC[C@H]2C)CC1 ZINC000968682358 1221487493 /nfs/dbraw/zinc/48/74/93/1221487493.db2.gz QBFOYEIAKNNFRQ-MJGOQNOKSA-N 2 1 331.504 2.124 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024074 1221748723 /nfs/dbraw/zinc/74/87/23/1221748723.db2.gz YIZZHSPICXGXGH-QZTJIDSGSA-N 2 1 342.487 2.138 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024074 1221748724 /nfs/dbraw/zinc/74/87/24/1221748724.db2.gz YIZZHSPICXGXGH-QZTJIDSGSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCC2CCCC2)CC1 ZINC001039042180 1230258569 /nfs/dbraw/zinc/25/85/69/1230258569.db2.gz MYARGYNPFKNYRX-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039144906 1230363157 /nfs/dbraw/zinc/36/31/57/1230363157.db2.gz PGJPBESTNGKNEB-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039144906 1230363162 /nfs/dbraw/zinc/36/31/62/1230363162.db2.gz PGJPBESTNGKNEB-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039155110 1230375784 /nfs/dbraw/zinc/37/57/84/1230375784.db2.gz MHLGEEDOPROYIA-LJQANCHMSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182916 1230410021 /nfs/dbraw/zinc/41/00/21/1230410021.db2.gz UMZFZDXWTACCCJ-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182916 1230410023 /nfs/dbraw/zinc/41/00/23/1230410023.db2.gz UMZFZDXWTACCCJ-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182916 1230410027 /nfs/dbraw/zinc/41/00/27/1230410027.db2.gz UMZFZDXWTACCCJ-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039183359 1230411380 /nfs/dbraw/zinc/41/13/80/1230411380.db2.gz ZWARRJAUWQJTDM-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039386732 1230571404 /nfs/dbraw/zinc/57/14/04/1230571404.db2.gz AXBYCANEEDQNBD-QRVBRYPASA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039386732 1230571406 /nfs/dbraw/zinc/57/14/06/1230571406.db2.gz AXBYCANEEDQNBD-QRVBRYPASA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001039386732 1230571408 /nfs/dbraw/zinc/57/14/08/1230571408.db2.gz AXBYCANEEDQNBD-QRVBRYPASA-N 2 1 331.504 2.338 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040356507 1231185387 /nfs/dbraw/zinc/18/53/87/1231185387.db2.gz IWIMSUMPTJWGJM-LJQANCHMSA-N 2 1 331.460 2.455 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040490846 1231259324 /nfs/dbraw/zinc/25/93/24/1231259324.db2.gz CTLRUUXKJFUOHY-WMZOPIPTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040490846 1231259326 /nfs/dbraw/zinc/25/93/26/1231259326.db2.gz CTLRUUXKJFUOHY-WMZOPIPTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040490846 1231259330 /nfs/dbraw/zinc/25/93/30/1231259330.db2.gz CTLRUUXKJFUOHY-WMZOPIPTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040490846 1231259332 /nfs/dbraw/zinc/25/93/32/1231259332.db2.gz CTLRUUXKJFUOHY-WMZOPIPTSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001040725523 1231349211 /nfs/dbraw/zinc/34/92/11/1231349211.db2.gz AUZHTROJJOBZAO-KRWDZBQOSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357662 1231518494 /nfs/dbraw/zinc/51/84/94/1231518494.db2.gz IBKHVXMDUHMSBF-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357662 1231518496 /nfs/dbraw/zinc/51/84/96/1231518496.db2.gz IBKHVXMDUHMSBF-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357662 1231518498 /nfs/dbraw/zinc/51/84/98/1231518498.db2.gz IBKHVXMDUHMSBF-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041420888 1231539496 /nfs/dbraw/zinc/53/94/96/1231539496.db2.gz DLOBGVXWVFILMV-FQEVSTJZSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041420888 1231539498 /nfs/dbraw/zinc/53/94/98/1231539498.db2.gz DLOBGVXWVFILMV-FQEVSTJZSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041420888 1231539500 /nfs/dbraw/zinc/53/95/00/1231539500.db2.gz DLOBGVXWVFILMV-FQEVSTJZSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041681034 1231648521 /nfs/dbraw/zinc/64/85/21/1231648521.db2.gz WSUUCGMQFNOMSS-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041681034 1231648523 /nfs/dbraw/zinc/64/85/23/1231648523.db2.gz WSUUCGMQFNOMSS-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044744245 1233229390 /nfs/dbraw/zinc/22/93/90/1233229390.db2.gz OBPYXCOULOCWJI-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096019819 1233678723 /nfs/dbraw/zinc/67/87/23/1233678723.db2.gz YGPKMTVIJQLAQZ-MVJTYMMSSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096019819 1233678724 /nfs/dbraw/zinc/67/87/24/1233678724.db2.gz YGPKMTVIJQLAQZ-MVJTYMMSSA-N 2 1 328.460 2.052 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045938699 1234194007 /nfs/dbraw/zinc/19/40/07/1234194007.db2.gz JHQCQMQSWCZUDQ-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938699 1234194009 /nfs/dbraw/zinc/19/40/09/1234194009.db2.gz JHQCQMQSWCZUDQ-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938699 1234194011 /nfs/dbraw/zinc/19/40/11/1234194011.db2.gz JHQCQMQSWCZUDQ-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945207 1234205843 /nfs/dbraw/zinc/20/58/43/1234205843.db2.gz ORTNXCXQCYMVMA-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945207 1234205846 /nfs/dbraw/zinc/20/58/46/1234205846.db2.gz ORTNXCXQCYMVMA-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945207 1234205847 /nfs/dbraw/zinc/20/58/47/1234205847.db2.gz ORTNXCXQCYMVMA-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045947538 1234210228 /nfs/dbraw/zinc/21/02/28/1234210228.db2.gz GNWPLYXSFVOAJG-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045947538 1234210230 /nfs/dbraw/zinc/21/02/30/1234210230.db2.gz GNWPLYXSFVOAJG-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045947538 1234210234 /nfs/dbraw/zinc/21/02/34/1234210234.db2.gz GNWPLYXSFVOAJG-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047243389 1235732243 /nfs/dbraw/zinc/73/22/43/1235732243.db2.gz KKBKZWSWRPUGST-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096175255 1235791862 /nfs/dbraw/zinc/79/18/62/1235791862.db2.gz FMHZPGNOUSZZMM-QYZOEREBSA-N 2 1 325.456 2.107 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001048526030 1237865943 /nfs/dbraw/zinc/86/59/43/1237865943.db2.gz MXUSSNWEFJDATM-NQYYFHDYSA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001048587043 1238032840 /nfs/dbraw/zinc/03/28/40/1238032840.db2.gz BDVRRETXZYJUIO-LVQVYYBASA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001048587043 1238032845 /nfs/dbraw/zinc/03/28/45/1238032845.db2.gz BDVRRETXZYJUIO-LVQVYYBASA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001048587043 1238032850 /nfs/dbraw/zinc/03/28/50/1238032850.db2.gz BDVRRETXZYJUIO-LVQVYYBASA-N 2 1 325.884 2.050 20 30 EEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CC2)CC1 ZINC001000240370 1240093343 /nfs/dbraw/zinc/09/33/43/1240093343.db2.gz GXPZCXNKNOAGNR-MRXNPFEDSA-N 2 1 342.487 2.301 20 30 EEEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)CC1 ZINC001000336022 1240181388 /nfs/dbraw/zinc/18/13/88/1240181388.db2.gz WGMZQRVRFRFSBB-SFHVURJKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)CC1 ZINC001000336022 1240181394 /nfs/dbraw/zinc/18/13/94/1240181394.db2.gz WGMZQRVRFRFSBB-SFHVURJKSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049475694 1241064721 /nfs/dbraw/zinc/06/47/21/1241064721.db2.gz ALTCBVHHHADVHD-QZTJIDSGSA-N 2 1 336.439 2.345 20 30 EEEDMP CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049475694 1241064730 /nfs/dbraw/zinc/06/47/30/1241064730.db2.gz ALTCBVHHHADVHD-QZTJIDSGSA-N 2 1 336.439 2.345 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001049672440 1241837518 /nfs/dbraw/zinc/83/75/18/1241837518.db2.gz SOXSQNZCYMOOIG-QXAKKESOSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001049672440 1241837533 /nfs/dbraw/zinc/83/75/33/1241837533.db2.gz SOXSQNZCYMOOIG-QXAKKESOSA-N 2 1 342.487 2.395 20 30 EEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001001353337 1242117334 /nfs/dbraw/zinc/11/73/34/1242117334.db2.gz GBLJFMJENDJXSS-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001001353337 1242117337 /nfs/dbraw/zinc/11/73/37/1242117337.db2.gz GBLJFMJENDJXSS-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001001353337 1242117344 /nfs/dbraw/zinc/11/73/44/1242117344.db2.gz GBLJFMJENDJXSS-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001052708469 1244798473 /nfs/dbraw/zinc/79/84/73/1244798473.db2.gz BEBOXIKDBMUNFI-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001052708469 1244798480 /nfs/dbraw/zinc/79/84/80/1244798480.db2.gz BEBOXIKDBMUNFI-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052824879 1245085319 /nfs/dbraw/zinc/08/53/19/1245085319.db2.gz ATDKUYSIKZSYOV-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052824879 1245085326 /nfs/dbraw/zinc/08/53/26/1245085326.db2.gz ATDKUYSIKZSYOV-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051336 1245773290 /nfs/dbraw/zinc/77/32/90/1245773290.db2.gz NWRAZBOGLTUEES-RTBURBONSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107608 1245926497 /nfs/dbraw/zinc/92/64/97/1245926497.db2.gz KCUDWPRYQHHEKK-RBUKOAKNSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107608 1245926505 /nfs/dbraw/zinc/92/65/05/1245926505.db2.gz KCUDWPRYQHHEKK-RBUKOAKNSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001101541841 1245944566 /nfs/dbraw/zinc/94/45/66/1245944566.db2.gz XHEAWURRJBRUKH-MJGOQNOKSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101985024 1246280816 /nfs/dbraw/zinc/28/08/16/1246280816.db2.gz WWWBDWXUFRNJIG-BRWVUGGUSA-N 2 1 330.476 2.104 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101985024 1246280826 /nfs/dbraw/zinc/28/08/26/1246280826.db2.gz WWWBDWXUFRNJIG-BRWVUGGUSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142697 1247509981 /nfs/dbraw/zinc/50/99/81/1247509981.db2.gz GYZGWFKAKPZDHB-PZJWPPBQSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142697 1247509987 /nfs/dbraw/zinc/50/99/87/1247509987.db2.gz GYZGWFKAKPZDHB-PZJWPPBQSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142697 1247509997 /nfs/dbraw/zinc/50/99/97/1247509997.db2.gz GYZGWFKAKPZDHB-PZJWPPBQSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142695 1247510196 /nfs/dbraw/zinc/51/01/96/1247510196.db2.gz GYZGWFKAKPZDHB-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142695 1247510199 /nfs/dbraw/zinc/51/01/99/1247510199.db2.gz GYZGWFKAKPZDHB-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142695 1247510202 /nfs/dbraw/zinc/51/02/02/1247510202.db2.gz GYZGWFKAKPZDHB-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054145167 1247516418 /nfs/dbraw/zinc/51/64/18/1247516418.db2.gz LOIIQFXOZGEDGF-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054145167 1247516428 /nfs/dbraw/zinc/51/64/28/1247516428.db2.gz LOIIQFXOZGEDGF-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054145167 1247516441 /nfs/dbraw/zinc/51/64/41/1247516441.db2.gz LOIIQFXOZGEDGF-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001054145228 1247516571 /nfs/dbraw/zinc/51/65/71/1247516571.db2.gz NGQAKARLSJCDMS-FPOVZHCZSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145228 1247516575 /nfs/dbraw/zinc/51/65/75/1247516575.db2.gz NGQAKARLSJCDMS-FPOVZHCZSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145228 1247516587 /nfs/dbraw/zinc/51/65/87/1247516587.db2.gz NGQAKARLSJCDMS-FPOVZHCZSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054159015 1247563166 /nfs/dbraw/zinc/56/31/66/1247563166.db2.gz GAFKPESURIULNU-FQEVSTJZSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171470 1247598135 /nfs/dbraw/zinc/59/81/35/1247598135.db2.gz RFWAWZWYKVJGQW-CTNGQTDRSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227155 1247779668 /nfs/dbraw/zinc/77/96/68/1247779668.db2.gz FGGDIKOGUUUTTI-LJQANCHMSA-N 2 1 328.460 2.262 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227155 1247779679 /nfs/dbraw/zinc/77/96/79/1247779679.db2.gz FGGDIKOGUUUTTI-LJQANCHMSA-N 2 1 328.460 2.262 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071828831 1254691940 /nfs/dbraw/zinc/69/19/40/1254691940.db2.gz VLTTUZNGEBIISF-APWZRJJASA-N 2 1 327.472 2.007 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001100830006 1259312788 /nfs/dbraw/zinc/31/27/88/1259312788.db2.gz XCXNVHQNHQAMOA-UHFFFAOYSA-N 2 1 346.450 2.024 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001187276528 1279473963 /nfs/dbraw/zinc/47/39/63/1279473963.db2.gz MUYFLAWGBIMMBA-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001187276528 1279473966 /nfs/dbraw/zinc/47/39/66/1279473966.db2.gz MUYFLAWGBIMMBA-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424264 1282502566 /nfs/dbraw/zinc/50/25/66/1282502566.db2.gz KJESMQUPAJDWPD-MOPGFXCFSA-N 2 1 327.472 2.235 20 30 EEEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424264 1282502573 /nfs/dbraw/zinc/50/25/73/1282502573.db2.gz KJESMQUPAJDWPD-MOPGFXCFSA-N 2 1 327.472 2.235 20 30 EEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424264 1282502579 /nfs/dbraw/zinc/50/25/79/1282502579.db2.gz KJESMQUPAJDWPD-MOPGFXCFSA-N 2 1 327.472 2.235 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001196341418 1284008544 /nfs/dbraw/zinc/00/85/44/1284008544.db2.gz OMPCAZPRFSKNIO-SJORKVTESA-N 2 1 330.476 2.335 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@@H](C)CCC=C)CC2)CC1 ZINC001198236663 1285048370 /nfs/dbraw/zinc/04/83/70/1285048370.db2.gz SCHYFWBFSNRTDP-SFHVURJKSA-N 2 1 331.504 2.221 20 30 EEEDMP C=CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1OC ZINC001198759128 1285345065 /nfs/dbraw/zinc/34/50/65/1285345065.db2.gz BWEULESUXBRDGS-KRWDZBQOSA-N 2 1 331.460 2.112 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001201385841 1289549300 /nfs/dbraw/zinc/54/93/00/1289549300.db2.gz JQULMTOIYOGRMC-AWEZNQCLSA-N 2 1 334.464 2.285 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCCO1 ZINC001201638949 1289687714 /nfs/dbraw/zinc/68/77/14/1289687714.db2.gz FLDZDSFVDWFWOF-SFHVURJKSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC001202154481 1289932979 /nfs/dbraw/zinc/93/29/79/1289932979.db2.gz NLFFGZCDZUDRRD-MOPGFXCFSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001110662334 1292334432 /nfs/dbraw/zinc/33/44/32/1292334432.db2.gz LVSQNBBXOCZYBV-WCXIOVBPSA-N 2 1 328.460 2.448 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001110662334 1292334438 /nfs/dbraw/zinc/33/44/38/1292334438.db2.gz LVSQNBBXOCZYBV-WCXIOVBPSA-N 2 1 328.460 2.448 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095251 1295236379 /nfs/dbraw/zinc/23/63/79/1295236379.db2.gz GXDHCWNOPNLAFE-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001211268288 1295789616 /nfs/dbraw/zinc/78/96/16/1295789616.db2.gz HSGCEUUTKIYXLH-QGZVFWFLSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@H]2C)CC1 ZINC001211307261 1295810165 /nfs/dbraw/zinc/81/01/65/1295810165.db2.gz QBKCLTJLFTZVOG-QWFCFKBJSA-N 2 1 347.547 2.450 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125967 1296551115 /nfs/dbraw/zinc/55/11/15/1296551115.db2.gz QPKRWRCBRHPVOK-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125967 1296551128 /nfs/dbraw/zinc/55/11/28/1296551128.db2.gz QPKRWRCBRHPVOK-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454806 1297080336 /nfs/dbraw/zinc/08/03/36/1297080336.db2.gz SMWASUJJFPTFGF-GASCZTMLSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454806 1297080351 /nfs/dbraw/zinc/08/03/51/1297080351.db2.gz SMWASUJJFPTFGF-GASCZTMLSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454806 1297080364 /nfs/dbraw/zinc/08/03/64/1297080364.db2.gz SMWASUJJFPTFGF-GASCZTMLSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454806 1297080377 /nfs/dbraw/zinc/08/03/77/1297080377.db2.gz SMWASUJJFPTFGF-GASCZTMLSA-N 2 1 325.884 2.146 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001216490795 1297190745 /nfs/dbraw/zinc/19/07/45/1297190745.db2.gz PDBNCVQPHRGRGY-RHSMWYFYSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001216494774 1297192937 /nfs/dbraw/zinc/19/29/37/1297192937.db2.gz OZHOKNLKPZPTTJ-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001074414723 1298105095 /nfs/dbraw/zinc/10/50/95/1298105095.db2.gz DGYUZGVJMRUARV-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001074414723 1298105099 /nfs/dbraw/zinc/10/50/99/1298105099.db2.gz DGYUZGVJMRUARV-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001221616526 1298962888 /nfs/dbraw/zinc/96/28/88/1298962888.db2.gz OEZHKKKUUOEMRT-IXDOHACOSA-N 2 1 328.460 2.259 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001221616526 1298962891 /nfs/dbraw/zinc/96/28/91/1298962891.db2.gz OEZHKKKUUOEMRT-IXDOHACOSA-N 2 1 328.460 2.259 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818309 1299110618 /nfs/dbraw/zinc/11/06/18/1299110618.db2.gz PXQUMYFBFDVQEN-WOJBJXKFSA-N 2 1 341.499 2.270 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818309 1299110622 /nfs/dbraw/zinc/11/06/22/1299110622.db2.gz PXQUMYFBFDVQEN-WOJBJXKFSA-N 2 1 341.499 2.270 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818309 1299110626 /nfs/dbraw/zinc/11/06/26/1299110626.db2.gz PXQUMYFBFDVQEN-WOJBJXKFSA-N 2 1 341.499 2.270 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818309 1299110629 /nfs/dbraw/zinc/11/06/29/1299110629.db2.gz PXQUMYFBFDVQEN-WOJBJXKFSA-N 2 1 341.499 2.270 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099521393 1299180914 /nfs/dbraw/zinc/18/09/14/1299180914.db2.gz QOPICIZKUZQPPB-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102214919 1300578288 /nfs/dbraw/zinc/57/82/88/1300578288.db2.gz GKGSVERGYOXQPR-UKRRQHHQSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001227849660 1301987439 /nfs/dbraw/zinc/98/74/39/1301987439.db2.gz YYPULFRDMMTAMW-HKUYNNGSSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001227849660 1301987452 /nfs/dbraw/zinc/98/74/52/1301987452.db2.gz YYPULFRDMMTAMW-HKUYNNGSSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001103436052 1302959199 /nfs/dbraw/zinc/95/91/99/1302959199.db2.gz IQCVZVKORYEORO-GPMSIDNRSA-N 2 1 339.499 2.459 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)C1(C[NH+](C)C)CC1)Cc1cccnc1 ZINC001230829985 1303487438 /nfs/dbraw/zinc/48/74/38/1303487438.db2.gz UJADNKSJDQEWFN-UHFFFAOYSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846380 1303496856 /nfs/dbraw/zinc/49/68/56/1303496856.db2.gz HNWQWCLGYSELGY-IEBWSBKVSA-N 2 1 344.503 2.164 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846380 1303496861 /nfs/dbraw/zinc/49/68/61/1303496861.db2.gz HNWQWCLGYSELGY-IEBWSBKVSA-N 2 1 344.503 2.164 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846380 1303496866 /nfs/dbraw/zinc/49/68/66/1303496866.db2.gz HNWQWCLGYSELGY-IEBWSBKVSA-N 2 1 344.503 2.164 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)C[NH+](CC)CC)Cc1cccnc1 ZINC001230871501 1303514966 /nfs/dbraw/zinc/51/49/66/1303514966.db2.gz IZWIUPKYNJGCFP-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CCCCC1 ZINC001115691466 1305622510 /nfs/dbraw/zinc/62/25/10/1305622510.db2.gz YZYNLUDRWYXHGL-KRWDZBQOSA-N 2 1 337.508 2.080 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149715171 1316023306 /nfs/dbraw/zinc/02/33/06/1316023306.db2.gz OQVZYQPZIBGOMC-KRWDZBQOSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001252481589 1317613807 /nfs/dbraw/zinc/61/38/07/1317613807.db2.gz DHKISPXRICEZDG-ZGXWSNOMSA-N 2 1 330.472 2.050 20 30 EEEDMP C=CCC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001252615593 1317647181 /nfs/dbraw/zinc/64/71/81/1317647181.db2.gz AOAHJWYRLGBGNA-HXUWFJFHSA-N 2 1 331.504 2.241 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ccccc2)CC1 ZINC001157091828 1318395943 /nfs/dbraw/zinc/39/59/43/1318395943.db2.gz DIAYCNNDPRLCQH-GOSISDBHSA-N 2 1 341.499 2.358 20 30 EEEDMP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158040484 1318981641 /nfs/dbraw/zinc/98/16/41/1318981641.db2.gz XCJLMVULZCXGPJ-OALUTQOASA-N 2 1 340.471 2.029 20 30 EEEDMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001158450510 1319246137 /nfs/dbraw/zinc/24/61/37/1319246137.db2.gz SVZDTWIOVHAWNN-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1C ZINC001160198183 1320096975 /nfs/dbraw/zinc/09/69/75/1320096975.db2.gz VZXQOOUUXMAEPM-SFHVURJKSA-N 2 1 347.890 2.342 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1C ZINC001160198183 1320096979 /nfs/dbraw/zinc/09/69/79/1320096979.db2.gz VZXQOOUUXMAEPM-SFHVURJKSA-N 2 1 347.890 2.342 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1c(F)cccc1F ZINC001160209476 1320099717 /nfs/dbraw/zinc/09/97/17/1320099717.db2.gz MIGUEIDMHILUAO-PBHICJAKSA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1c(F)cccc1F ZINC001160209476 1320099721 /nfs/dbraw/zinc/09/97/21/1320099721.db2.gz MIGUEIDMHILUAO-PBHICJAKSA-N 2 1 349.425 2.219 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160353549 1320142816 /nfs/dbraw/zinc/14/28/16/1320142816.db2.gz XFRZHAXWKDXMFR-QGZVFWFLSA-N 2 1 328.460 2.475 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160353549 1320142820 /nfs/dbraw/zinc/14/28/20/1320142820.db2.gz XFRZHAXWKDXMFR-QGZVFWFLSA-N 2 1 328.460 2.475 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001161649465 1320569845 /nfs/dbraw/zinc/56/98/45/1320569845.db2.gz JEDVFTVGFGEGRG-LJQANCHMSA-N 2 1 342.487 2.275 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467308 1321886504 /nfs/dbraw/zinc/88/65/04/1321886504.db2.gz ADQYTOJQALOIAD-SJORKVTESA-N 2 1 342.487 2.437 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001263097575 1322433117 /nfs/dbraw/zinc/43/31/17/1322433117.db2.gz CDMMQNHDVBDZKM-LPHOPBHVSA-N 2 1 345.487 2.207 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001263097575 1322433122 /nfs/dbraw/zinc/43/31/22/1322433122.db2.gz CDMMQNHDVBDZKM-LPHOPBHVSA-N 2 1 345.487 2.207 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576517 1324570924 /nfs/dbraw/zinc/57/09/24/1324570924.db2.gz LSWLHLQLHKHPBA-INIZCTEOSA-N 2 1 330.476 2.309 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210146258 1325177800 /nfs/dbraw/zinc/17/78/00/1325177800.db2.gz OJYAUUIXUNYWIP-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200636386 1338483922 /nfs/dbraw/zinc/48/39/22/1338483922.db2.gz ZFEVPKPHDARHKR-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200722548 1338550452 /nfs/dbraw/zinc/55/04/52/1338550452.db2.gz ZNJJNSZETYHQIK-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001502829658 1342233675 /nfs/dbraw/zinc/23/36/75/1342233675.db2.gz ZDTWCVNZYNCNBR-OAHLLOKOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001502829658 1342233677 /nfs/dbraw/zinc/23/36/77/1342233677.db2.gz ZDTWCVNZYNCNBR-OAHLLOKOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001502829658 1342233681 /nfs/dbraw/zinc/23/36/81/1342233681.db2.gz ZDTWCVNZYNCNBR-OAHLLOKOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001502829658 1342233683 /nfs/dbraw/zinc/23/36/83/1342233683.db2.gz ZDTWCVNZYNCNBR-OAHLLOKOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001665084944 1355273937 /nfs/dbraw/zinc/27/39/37/1355273937.db2.gz HVYKHNOVBCAHNM-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001665084944 1355273940 /nfs/dbraw/zinc/27/39/40/1355273940.db2.gz HVYKHNOVBCAHNM-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001665084944 1355273943 /nfs/dbraw/zinc/27/39/43/1355273943.db2.gz HVYKHNOVBCAHNM-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001665084944 1355273946 /nfs/dbraw/zinc/27/39/46/1355273946.db2.gz HVYKHNOVBCAHNM-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)C[C@H](C)O2 ZINC001098571214 1370984151 /nfs/dbraw/zinc/98/41/51/1370984151.db2.gz OCFACLTWTFFDAW-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000834362980 1372545641 /nfs/dbraw/zinc/54/56/41/1372545641.db2.gz QMGPTFDBFQGXFH-HDICACEKSA-N 2 1 341.499 2.394 20 30 EEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C#N)c1Cl ZINC001140813993 1372684474 /nfs/dbraw/zinc/68/44/74/1372684474.db2.gz YQDALQBXWMEWCL-DLBZAZTESA-N 2 1 332.879 2.422 20 30 EEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(C#N)c1Cl ZINC001140813993 1372684477 /nfs/dbraw/zinc/68/44/77/1372684477.db2.gz YQDALQBXWMEWCL-DLBZAZTESA-N 2 1 332.879 2.422 20 30 EEEDMP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001376995447 1378903253 /nfs/dbraw/zinc/90/32/53/1378903253.db2.gz JSNURSCNIYILTG-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001376995447 1378903261 /nfs/dbraw/zinc/90/32/61/1378903261.db2.gz JSNURSCNIYILTG-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC001376995447 1378903268 /nfs/dbraw/zinc/90/32/68/1378903268.db2.gz JSNURSCNIYILTG-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC001376995447 1378903272 /nfs/dbraw/zinc/90/32/72/1378903272.db2.gz JSNURSCNIYILTG-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001392704129 1390164397 /nfs/dbraw/zinc/16/43/97/1390164397.db2.gz ABLWCVMITMMHGF-HNNXBMFYSA-N 2 1 348.516 2.288 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001392704129 1390164400 /nfs/dbraw/zinc/16/44/00/1390164400.db2.gz ABLWCVMITMMHGF-HNNXBMFYSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C ZINC001394672819 1390735615 /nfs/dbraw/zinc/73/56/15/1390735615.db2.gz SNDOPLCCIUHBJS-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001398467726 1392884502 /nfs/dbraw/zinc/88/45/02/1392884502.db2.gz OCNNRRUJKAQBRZ-HZPDHXFCSA-N 2 1 329.916 2.496 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]C/C=C\Cl)CC1 ZINC001753273772 1406728595 /nfs/dbraw/zinc/72/85/95/1406728595.db2.gz MCRHXNWRDRYDHC-RDQHTGABSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]C/C=C\Cl)CC1 ZINC001753273772 1406728599 /nfs/dbraw/zinc/72/85/99/1406728599.db2.gz MCRHXNWRDRYDHC-RDQHTGABSA-N 2 1 337.895 2.053 20 30 EEEDMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001400807991 1396601624 /nfs/dbraw/zinc/60/16/24/1396601624.db2.gz CTJNASXWYLLTFU-CYBMUJFWSA-N 2 1 334.489 2.088 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001754469802 1406914777 /nfs/dbraw/zinc/91/47/77/1406914777.db2.gz YDDZMGOMPRRZRY-VQTJNVASSA-N 2 1 341.499 2.358 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1CC ZINC001754469802 1406914783 /nfs/dbraw/zinc/91/47/83/1406914783.db2.gz YDDZMGOMPRRZRY-VQTJNVASSA-N 2 1 341.499 2.358 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccccc1C#N ZINC001422255158 1399838775 /nfs/dbraw/zinc/83/87/75/1399838775.db2.gz ZRAUATDDXAKTCA-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C=CC[NH2+]C1(CC)CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001755071667 1407080276 /nfs/dbraw/zinc/08/02/76/1407080276.db2.gz CIDSUSVVFLRBAY-UHFFFAOYSA-N 2 1 339.443 2.428 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCN(Cc2ccc(C#N)s2)[C@@H]1C ZINC001425934116 1401811227 /nfs/dbraw/zinc/81/12/27/1401811227.db2.gz IJHWMVAZJQFHJG-PBHICJAKSA-N 2 1 348.516 2.431 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001755204828 1407218293 /nfs/dbraw/zinc/21/82/93/1407218293.db2.gz NOVAZYWDXIGUKE-ZWKOTPCHSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573203 761929510 /nfs/dbraw/zinc/92/95/10/761929510.db2.gz LQZDFWNCDLFMEK-GUDVDZBRSA-N 2 1 333.520 2.206 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644496 757654450 /nfs/dbraw/zinc/65/44/50/757654450.db2.gz DYMLZMBQZNWQCB-WBVHZDCISA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644496 757654453 /nfs/dbraw/zinc/65/44/53/757654453.db2.gz DYMLZMBQZNWQCB-WBVHZDCISA-N 2 1 327.900 2.250 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104291822 758132493 /nfs/dbraw/zinc/13/24/93/758132493.db2.gz WGIBJDIBVOAPJH-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001167471352 759727748 /nfs/dbraw/zinc/72/77/48/759727748.db2.gz GGSSTFXULBAVNT-UHFFFAOYSA-N 2 1 345.472 2.236 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461987 760944862 /nfs/dbraw/zinc/94/48/62/760944862.db2.gz YEQOFHOIFWDFRX-LJQANCHMSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001112021464 764816961 /nfs/dbraw/zinc/81/69/61/764816961.db2.gz OSJIBPSZKSKITP-FPOVZHCZSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001112021464 764816969 /nfs/dbraw/zinc/81/69/69/764816969.db2.gz OSJIBPSZKSKITP-FPOVZHCZSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112021464 764816975 /nfs/dbraw/zinc/81/69/75/764816975.db2.gz OSJIBPSZKSKITP-FPOVZHCZSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112021464 764816982 /nfs/dbraw/zinc/81/69/82/764816982.db2.gz OSJIBPSZKSKITP-FPOVZHCZSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(CC)CC)CC[C@@H]2C1 ZINC001087997848 782745317 /nfs/dbraw/zinc/74/53/17/782745317.db2.gz CBSNJPQIHMKQFT-AABGKKOBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(CC)CC)CC[C@@H]2C1 ZINC001087997848 782745320 /nfs/dbraw/zinc/74/53/20/782745320.db2.gz CBSNJPQIHMKQFT-AABGKKOBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(CC)CC)CC[C@@H]2C1 ZINC001087997848 782745328 /nfs/dbraw/zinc/74/53/28/782745328.db2.gz CBSNJPQIHMKQFT-AABGKKOBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(CC)CC)CC[C@@H]2C1 ZINC001087997848 782745333 /nfs/dbraw/zinc/74/53/33/782745333.db2.gz CBSNJPQIHMKQFT-AABGKKOBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089473058 769617603 /nfs/dbraw/zinc/61/76/03/769617603.db2.gz QSMKNSLHIILPLL-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473058 769617611 /nfs/dbraw/zinc/61/76/11/769617611.db2.gz QSMKNSLHIILPLL-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473058 769617618 /nfs/dbraw/zinc/61/76/18/769617618.db2.gz QSMKNSLHIILPLL-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673614 770050907 /nfs/dbraw/zinc/05/09/07/770050907.db2.gz SAGRAGMBFMDVJF-YSIASYRMSA-N 2 1 339.483 2.078 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089646845 773684668 /nfs/dbraw/zinc/68/46/68/773684668.db2.gz QDQXRYIYZAWNCE-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089646845 773684676 /nfs/dbraw/zinc/68/46/76/773684676.db2.gz QDQXRYIYZAWNCE-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089646845 773684682 /nfs/dbraw/zinc/68/46/82/773684682.db2.gz QDQXRYIYZAWNCE-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001089660837 774047254 /nfs/dbraw/zinc/04/72/54/774047254.db2.gz QGVYSXHODGFWSM-CVEARBPZSA-N 2 1 330.476 2.238 20 30 EEEDMP C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089662653 774066515 /nfs/dbraw/zinc/06/65/15/774066515.db2.gz FTUKOEXKOOBJEC-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001089662653 774066520 /nfs/dbraw/zinc/06/65/20/774066520.db2.gz FTUKOEXKOOBJEC-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089662653 774066529 /nfs/dbraw/zinc/06/65/29/774066529.db2.gz FTUKOEXKOOBJEC-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089662653 774066536 /nfs/dbraw/zinc/06/65/36/774066536.db2.gz FTUKOEXKOOBJEC-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089662653 774066542 /nfs/dbraw/zinc/06/65/42/774066542.db2.gz FTUKOEXKOOBJEC-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@H]12 ZINC000991778637 790448760 /nfs/dbraw/zinc/44/87/60/790448760.db2.gz GTWXUERLVGPVRD-ICSRJNTNSA-N 2 1 349.438 2.017 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@@H]12 ZINC000991784491 790478838 /nfs/dbraw/zinc/47/88/38/790478838.db2.gz QBMXTOACGFLZKA-IEBWSBKVSA-N 2 1 337.427 2.180 20 30 EEEDMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001028116224 778038626 /nfs/dbraw/zinc/03/86/26/778038626.db2.gz DXJTYRIYLHDYQF-HNNXBMFYSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001028116224 778038634 /nfs/dbraw/zinc/03/86/34/778038634.db2.gz DXJTYRIYLHDYQF-HNNXBMFYSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981828018 778289767 /nfs/dbraw/zinc/28/97/67/778289767.db2.gz XOLVGOMWLXHFGK-HNNXBMFYSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981828018 778289769 /nfs/dbraw/zinc/28/97/69/778289769.db2.gz XOLVGOMWLXHFGK-HNNXBMFYSA-N 2 1 327.900 2.250 20 30 EEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164404 779184519 /nfs/dbraw/zinc/18/45/19/779184519.db2.gz LUZJBKMHTLHQEY-GOSISDBHSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164404 779184522 /nfs/dbraw/zinc/18/45/22/779184522.db2.gz LUZJBKMHTLHQEY-GOSISDBHSA-N 2 1 327.472 2.400 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001088339305 783559390 /nfs/dbraw/zinc/55/93/90/783559390.db2.gz BXATWSKUGDMHDY-HNNXBMFYSA-N 2 1 334.464 2.287 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3nccn31)CC2 ZINC001035194214 784084173 /nfs/dbraw/zinc/08/41/73/784084173.db2.gz WENXGRQALSPALJ-QGZVFWFLSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035194214 784084182 /nfs/dbraw/zinc/08/41/82/784084182.db2.gz WENXGRQALSPALJ-QGZVFWFLSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035194214 784084184 /nfs/dbraw/zinc/08/41/84/784084184.db2.gz WENXGRQALSPALJ-QGZVFWFLSA-N 2 1 340.471 2.098 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035223071 784103425 /nfs/dbraw/zinc/10/34/25/784103425.db2.gz KRDDODQYKPXINB-UHFFFAOYSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@H+](CCCF)C3)CC2)CC1 ZINC001035256333 784204466 /nfs/dbraw/zinc/20/44/66/784204466.db2.gz IAWZVTCINDKYEY-UHFFFAOYSA-N 2 1 349.494 2.006 20 30 EEEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001035571720 784706215 /nfs/dbraw/zinc/70/62/15/784706215.db2.gz HQEXQDYQCGGPIK-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001035571720 784706222 /nfs/dbraw/zinc/70/62/22/784706222.db2.gz HQEXQDYQCGGPIK-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001035571720 784706235 /nfs/dbraw/zinc/70/62/35/784706235.db2.gz HQEXQDYQCGGPIK-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001035571720 784706239 /nfs/dbraw/zinc/70/62/39/784706239.db2.gz HQEXQDYQCGGPIK-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]cc1C(F)(F)F ZINC001171070062 788326549 /nfs/dbraw/zinc/32/65/49/788326549.db2.gz XLJVACHGTDWFMI-LBPRGKRZSA-N 2 1 331.338 2.161 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000996994824 788389736 /nfs/dbraw/zinc/38/97/36/788389736.db2.gz KCRHPXDKXDOHJH-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904563 789621966 /nfs/dbraw/zinc/62/19/66/789621966.db2.gz JPSPZCRKXATHMT-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001171235310 790255707 /nfs/dbraw/zinc/25/57/07/790255707.db2.gz GWPUYTQNJLZJCX-SJLPKXTDSA-N 2 1 337.508 2.080 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647630 792064201 /nfs/dbraw/zinc/06/42/01/792064201.db2.gz IYKZIDWELHDNDP-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001107981786 792351301 /nfs/dbraw/zinc/35/13/01/792351301.db2.gz GHAKKDQDXFMWKI-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480980 792541739 /nfs/dbraw/zinc/54/17/39/792541739.db2.gz XRXOOTKGKIPHGN-OAQYLSRUSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921381 792986369 /nfs/dbraw/zinc/98/63/69/792986369.db2.gz NYIBGVAQSHHNKV-ZWKOTPCHSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942403 793034865 /nfs/dbraw/zinc/03/48/65/793034865.db2.gz PWTXDNVCXUVUSU-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952441 793086930 /nfs/dbraw/zinc/08/69/30/793086930.db2.gz IRKQFXAOVMJXNU-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000998797424 793417434 /nfs/dbraw/zinc/41/74/34/793417434.db2.gz UBGLEBZMNLGJSE-QROZZAMVSA-N 2 1 346.500 2.039 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109984633 806334979 /nfs/dbraw/zinc/33/49/79/806334979.db2.gz KNCPUOQJXXUJLO-HFTRVMKXSA-N 2 1 328.460 2.449 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109984633 806334989 /nfs/dbraw/zinc/33/49/89/806334989.db2.gz KNCPUOQJXXUJLO-HFTRVMKXSA-N 2 1 328.460 2.449 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352190 795435092 /nfs/dbraw/zinc/43/50/92/795435092.db2.gz HVTKBSBHBKDQFG-OWCLPIDISA-N 2 1 348.491 2.389 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCC(C)C)C2)CC1 ZINC001036904939 796448588 /nfs/dbraw/zinc/44/85/88/796448588.db2.gz ZWOKXKJSDZOALD-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001054059892 796994519 /nfs/dbraw/zinc/99/45/19/796994519.db2.gz AFFFTBSIETZTNL-OALUTQOASA-N 2 1 327.472 2.057 20 30 EEEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429282 797453373 /nfs/dbraw/zinc/45/33/73/797453373.db2.gz VAWOWGXALRXVQB-KXBFYZLASA-N 2 1 340.471 2.093 20 30 EEEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429282 797453378 /nfs/dbraw/zinc/45/33/78/797453378.db2.gz VAWOWGXALRXVQB-KXBFYZLASA-N 2 1 340.471 2.093 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084854035 798506485 /nfs/dbraw/zinc/50/64/85/798506485.db2.gz VQSPVCIUPAISNK-GUDVDZBRSA-N 2 1 327.472 2.398 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084854035 798506488 /nfs/dbraw/zinc/50/64/88/798506488.db2.gz VQSPVCIUPAISNK-GUDVDZBRSA-N 2 1 327.472 2.398 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001212465675 798643836 /nfs/dbraw/zinc/64/38/36/798643836.db2.gz REMWEPXRRKGTLB-KZNAEPCWSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001212465675 798643837 /nfs/dbraw/zinc/64/38/37/798643837.db2.gz REMWEPXRRKGTLB-KZNAEPCWSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001212465675 798643839 /nfs/dbraw/zinc/64/38/39/798643839.db2.gz REMWEPXRRKGTLB-KZNAEPCWSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001212465675 798643841 /nfs/dbraw/zinc/64/38/41/798643841.db2.gz REMWEPXRRKGTLB-KZNAEPCWSA-N 2 1 339.524 2.257 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001176986263 798675210 /nfs/dbraw/zinc/67/52/10/798675210.db2.gz JBQOBFZZNLFJRM-GOSISDBHSA-N 2 1 346.450 2.168 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001178854196 799654741 /nfs/dbraw/zinc/65/47/41/799654741.db2.gz XZDNRILMSOSJPD-UHFFFAOYSA-N 2 1 327.513 2.186 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598099 800865466 /nfs/dbraw/zinc/86/54/66/800865466.db2.gz MXGWXJNXVGJUQW-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598099 800865472 /nfs/dbraw/zinc/86/54/72/800865472.db2.gz MXGWXJNXVGJUQW-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598099 800865474 /nfs/dbraw/zinc/86/54/74/800865474.db2.gz MXGWXJNXVGJUQW-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108218965 801536650 /nfs/dbraw/zinc/53/66/50/801536650.db2.gz CEORYNVPOQJHBW-PKOBYXMFSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC001085986676 801840423 /nfs/dbraw/zinc/84/04/23/801840423.db2.gz KNDCEYZFBKJAHT-HXUWFJFHSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2=CCCCC2)CC1 ZINC001085986647 801840723 /nfs/dbraw/zinc/84/07/23/801840723.db2.gz KATXZCVTLWKZPR-FQEVSTJZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001004460843 802131243 /nfs/dbraw/zinc/13/12/43/802131243.db2.gz XIZZISVKSBKRMA-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004460843 802131246 /nfs/dbraw/zinc/13/12/46/802131246.db2.gz XIZZISVKSBKRMA-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004460843 802131252 /nfs/dbraw/zinc/13/12/52/802131252.db2.gz XIZZISVKSBKRMA-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004485749 802188945 /nfs/dbraw/zinc/18/89/45/802188945.db2.gz SLLFKULZJFRKPT-SFHVURJKSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004485749 802188951 /nfs/dbraw/zinc/18/89/51/802188951.db2.gz SLLFKULZJFRKPT-SFHVURJKSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001086110217 802200472 /nfs/dbraw/zinc/20/04/72/802200472.db2.gz YPNQJWWIWSIPHY-ZCNNSNEGSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001086110217 802200480 /nfs/dbraw/zinc/20/04/80/802200480.db2.gz YPNQJWWIWSIPHY-ZCNNSNEGSA-N 2 1 339.483 2.077 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001108283594 803159439 /nfs/dbraw/zinc/15/94/39/803159439.db2.gz HZGDENURDKPDJD-PKOBYXMFSA-N 2 1 339.524 2.136 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001108283594 803159441 /nfs/dbraw/zinc/15/94/41/803159441.db2.gz HZGDENURDKPDJD-PKOBYXMFSA-N 2 1 339.524 2.136 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001108772236 804476214 /nfs/dbraw/zinc/47/62/14/804476214.db2.gz KYJGREYZAPBDFT-BZSNNMDCSA-N 2 1 342.487 2.389 20 30 EEEDMP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430149 810848874 /nfs/dbraw/zinc/84/88/74/810848874.db2.gz PGUCFQPSGRBKMB-IBGZPJMESA-N 2 1 340.471 2.171 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001129770360 810994414 /nfs/dbraw/zinc/99/44/14/810994414.db2.gz DXMVKFBIQDIBAY-PBHICJAKSA-N 2 1 333.863 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001129770360 810994421 /nfs/dbraw/zinc/99/44/21/810994421.db2.gz DXMVKFBIQDIBAY-PBHICJAKSA-N 2 1 333.863 2.204 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001444258014 1098818201 /nfs/dbraw/zinc/81/82/01/1098818201.db2.gz IADQFLAGIYAQJB-UHFFFAOYSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001444258014 1098818212 /nfs/dbraw/zinc/81/82/12/1098818212.db2.gz IADQFLAGIYAQJB-UHFFFAOYSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001444258014 1098818222 /nfs/dbraw/zinc/81/82/22/1098818222.db2.gz IADQFLAGIYAQJB-UHFFFAOYSA-N 2 1 327.900 2.395 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001446567990 1101052878 /nfs/dbraw/zinc/05/28/78/1101052878.db2.gz XPGKJWUGJGEZRB-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001446567990 1101052887 /nfs/dbraw/zinc/05/28/87/1101052887.db2.gz XPGKJWUGJGEZRB-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C#N)s1 ZINC001505453161 1113987330 /nfs/dbraw/zinc/98/73/30/1113987330.db2.gz VPWKQXBDXLCDFD-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)s1 ZINC001505453161 1113987332 /nfs/dbraw/zinc/98/73/32/1113987332.db2.gz VPWKQXBDXLCDFD-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001505453161 1113987335 /nfs/dbraw/zinc/98/73/35/1113987335.db2.gz VPWKQXBDXLCDFD-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP C#CCN1CCC[C@H]1COC(=O)Cn1c(C)nc2cc(F)c(F)cc21 ZINC000491622222 246085585 /nfs/dbraw/zinc/08/55/85/246085585.db2.gz FDGNBDQRSCIWEU-ZDUSSCGKSA-N 2 1 347.365 2.264 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000491495304 533098752 /nfs/dbraw/zinc/09/87/52/533098752.db2.gz IIIAOVCOGGXVTN-UHFFFAOYSA-N 2 1 328.338 2.477 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000491717052 533106151 /nfs/dbraw/zinc/10/61/51/533106151.db2.gz VNFJIJOOTVITCQ-IBGZPJMESA-N 2 1 338.455 2.094 20 30 EEEDMP Cn1ccnc1CN1CCC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000328912850 465164636 /nfs/dbraw/zinc/16/46/36/465164636.db2.gz HPLFPFONXIERGM-SJORKVTESA-N 2 1 345.491 2.215 20 30 EEEDMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000328912850 465164644 /nfs/dbraw/zinc/16/46/44/465164644.db2.gz HPLFPFONXIERGM-SJORKVTESA-N 2 1 345.491 2.215 20 30 EEEDMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000328912850 465164652 /nfs/dbraw/zinc/16/46/52/465164652.db2.gz HPLFPFONXIERGM-SJORKVTESA-N 2 1 345.491 2.215 20 30 EEEDMP COc1cc(C#N)ccc1OCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151284854 463507083 /nfs/dbraw/zinc/50/70/83/463507083.db2.gz YAGXRTCDHQQGCF-UHFFFAOYSA-N 2 1 338.411 2.163 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000081984036 463510737 /nfs/dbraw/zinc/51/07/37/463510737.db2.gz XQWNSXLXGMAGRU-ZBFHGGJFSA-N 2 1 338.521 2.462 20 30 EEEDMP CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261978858 463916460 /nfs/dbraw/zinc/91/64/60/463916460.db2.gz OINGBXZBMLNLJA-UKRRQHHQSA-N 2 1 348.520 2.180 20 30 EEEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)cc1OC ZINC000277476403 463917666 /nfs/dbraw/zinc/91/76/66/463917666.db2.gz KEVIQHPQKPQPSW-HNNXBMFYSA-N 2 1 332.448 2.447 20 30 EEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(Cl)cc1Cl ZINC000264102135 464283620 /nfs/dbraw/zinc/28/36/20/464283620.db2.gz NCYZHCMSABTRRC-UHFFFAOYSA-N 2 1 345.274 2.120 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000264316292 464295394 /nfs/dbraw/zinc/29/53/94/464295394.db2.gz WDMRQRWFQWGZAH-IRXDYDNUSA-N 2 1 347.507 2.114 20 30 EEEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264316292 464295399 /nfs/dbraw/zinc/29/53/99/464295399.db2.gz WDMRQRWFQWGZAH-IRXDYDNUSA-N 3 1 347.507 2.114 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264316292 464295404 /nfs/dbraw/zinc/29/54/04/464295404.db2.gz WDMRQRWFQWGZAH-IRXDYDNUSA-N 3 1 347.507 2.114 20 30 EEEDMP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1C#N ZINC000281729610 464562045 /nfs/dbraw/zinc/56/20/45/464562045.db2.gz PRQWPKOKTJTVSU-MRXNPFEDSA-N 2 1 329.444 2.157 20 30 EEEDMP Cc1[nH+]ccn1CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266999597 464900669 /nfs/dbraw/zinc/90/06/69/464900669.db2.gz ZSYQHCHUAUFDBW-UHFFFAOYSA-N 2 1 325.338 2.315 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2)C[C@H](C)O1 ZINC000424143442 466989240 /nfs/dbraw/zinc/98/92/40/466989240.db2.gz JSXIFHGFTKCFKR-DAYGRLMNSA-N 2 1 344.459 2.255 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2)C[C@H](C)O1 ZINC000424143442 466989244 /nfs/dbraw/zinc/98/92/44/466989244.db2.gz JSXIFHGFTKCFKR-DAYGRLMNSA-N 2 1 344.459 2.255 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000394408924 467433095 /nfs/dbraw/zinc/43/30/95/467433095.db2.gz HVZRUNNTBFGHKV-AWEZNQCLSA-N 2 1 345.270 2.278 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000394408924 467433098 /nfs/dbraw/zinc/43/30/98/467433098.db2.gz HVZRUNNTBFGHKV-AWEZNQCLSA-N 2 1 345.270 2.278 20 30 EEEDMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437806 468586930 /nfs/dbraw/zinc/58/69/30/468586930.db2.gz KXSBYJHBHCQTJE-WMZOPIPTSA-N 2 1 328.460 2.131 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437806 468586935 /nfs/dbraw/zinc/58/69/35/468586935.db2.gz KXSBYJHBHCQTJE-WMZOPIPTSA-N 2 1 328.460 2.131 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660705220 471452095 /nfs/dbraw/zinc/45/20/95/471452095.db2.gz TXUTZJRKLLZZKQ-KRWDZBQOSA-N 2 1 334.508 2.343 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000377208347 526925956 /nfs/dbraw/zinc/92/59/56/526925956.db2.gz JTDWSALZBALLFN-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001021096801 675729446 /nfs/dbraw/zinc/72/94/46/675729446.db2.gz ZRMKVFKZHLABOK-CKEIUWERSA-N 2 1 346.500 2.231 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707794 676366820 /nfs/dbraw/zinc/36/68/20/676366820.db2.gz YGKZWIJSRMJFNW-RTBURBONSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023423287 679301760 /nfs/dbraw/zinc/30/17/60/679301760.db2.gz WHYRLAQWKZZVFF-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023423287 679301761 /nfs/dbraw/zinc/30/17/61/679301761.db2.gz WHYRLAQWKZZVFF-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023423287 679301762 /nfs/dbraw/zinc/30/17/62/679301762.db2.gz WHYRLAQWKZZVFF-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023423287 679301763 /nfs/dbraw/zinc/30/17/63/679301763.db2.gz WHYRLAQWKZZVFF-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587041 679399046 /nfs/dbraw/zinc/39/90/46/679399046.db2.gz DWVHKWWPIDOJOD-IRXDYDNUSA-N 2 1 330.476 2.158 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587041 679399047 /nfs/dbraw/zinc/39/90/47/679399047.db2.gz DWVHKWWPIDOJOD-IRXDYDNUSA-N 2 1 330.476 2.158 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC(=C)C)CC1 ZINC001024813345 681466060 /nfs/dbraw/zinc/46/60/60/681466060.db2.gz ZWJZUEXEOQEUQV-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557509 681644758 /nfs/dbraw/zinc/64/47/58/681644758.db2.gz PHPIWVSNXFTVIA-YSIASYRMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557509 681644763 /nfs/dbraw/zinc/64/47/63/681644763.db2.gz PHPIWVSNXFTVIA-YSIASYRMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557509 681644770 /nfs/dbraw/zinc/64/47/70/681644770.db2.gz PHPIWVSNXFTVIA-YSIASYRMSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001029003573 682650560 /nfs/dbraw/zinc/65/05/60/682650560.db2.gz NUTIXLXGBXEPGM-QGZVFWFLSA-N 2 1 345.531 2.206 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC(=C)C)C2)CC1 ZINC001025631225 683169542 /nfs/dbraw/zinc/16/95/42/683169542.db2.gz YRACNXQNPWSHBA-IEBWSBKVSA-N 2 1 331.504 2.124 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)Cc3cn4c(n3)CCCC4)CCC[C@H]12 ZINC000990811856 693890466 /nfs/dbraw/zinc/89/04/66/693890466.db2.gz BDVDSNBKBOIZKL-FXAWDEMLSA-N 2 1 342.487 2.451 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029757417 687021952 /nfs/dbraw/zinc/02/19/52/687021952.db2.gz AMWQXQUKXYDAGS-PMACEKPBSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029757417 687021958 /nfs/dbraw/zinc/02/19/58/687021958.db2.gz AMWQXQUKXYDAGS-PMACEKPBSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029757417 687021959 /nfs/dbraw/zinc/02/19/59/687021959.db2.gz AMWQXQUKXYDAGS-PMACEKPBSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029757417 687021965 /nfs/dbraw/zinc/02/19/65/687021965.db2.gz AMWQXQUKXYDAGS-PMACEKPBSA-N 2 1 343.515 2.365 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001027420159 688040663 /nfs/dbraw/zinc/04/06/63/688040663.db2.gz QMAWKVMOWJHHCQ-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001027420159 688040669 /nfs/dbraw/zinc/04/06/69/688040669.db2.gz QMAWKVMOWJHHCQ-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001027420159 688040676 /nfs/dbraw/zinc/04/06/76/688040676.db2.gz QMAWKVMOWJHHCQ-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001027420159 688040683 /nfs/dbraw/zinc/04/06/83/688040683.db2.gz QMAWKVMOWJHHCQ-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001029971354 688749940 /nfs/dbraw/zinc/74/99/40/688749940.db2.gz ZWNWWVIXQWKJSR-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001029971354 688749944 /nfs/dbraw/zinc/74/99/44/688749944.db2.gz ZWNWWVIXQWKJSR-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001029971354 688749949 /nfs/dbraw/zinc/74/99/49/688749949.db2.gz ZWNWWVIXQWKJSR-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001029971354 688749953 /nfs/dbraw/zinc/74/99/53/688749953.db2.gz ZWNWWVIXQWKJSR-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001027545899 692845576 /nfs/dbraw/zinc/84/55/76/692845576.db2.gz IAZINQPHKYGLSA-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027545899 692845581 /nfs/dbraw/zinc/84/55/81/692845581.db2.gz IAZINQPHKYGLSA-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027545899 692845585 /nfs/dbraw/zinc/84/55/85/692845585.db2.gz IAZINQPHKYGLSA-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(Br)C[NH2+]CCN(CC)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001754051138 1177020699 /nfs/dbraw/zinc/02/06/99/1177020699.db2.gz ZRMTWOIFUCDSPD-CQSZACIVSA-N 2 1 346.313 2.208 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365984 1194481300 /nfs/dbraw/zinc/48/13/00/1194481300.db2.gz RWSGHTQTZIAXRN-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365984 1194481297 /nfs/dbraw/zinc/48/12/97/1194481297.db2.gz RWSGHTQTZIAXRN-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365984 1194481302 /nfs/dbraw/zinc/48/13/02/1194481302.db2.gz RWSGHTQTZIAXRN-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955229 1195556999 /nfs/dbraw/zinc/55/69/99/1195556999.db2.gz WYOUJHZOWXHVAK-FQEVSTJZSA-N 2 1 341.499 2.350 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311015 1196080785 /nfs/dbraw/zinc/08/07/85/1196080785.db2.gz CWMFEEYUBCMBKE-INIZCTEOSA-N 2 1 330.476 2.309 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311015 1196080787 /nfs/dbraw/zinc/08/07/87/1196080787.db2.gz CWMFEEYUBCMBKE-INIZCTEOSA-N 2 1 330.476 2.309 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C#N)CC1 ZINC001034611222 1196433896 /nfs/dbraw/zinc/43/38/96/1196433896.db2.gz JCWJHRXCNWXKKE-FHWLQOOXSA-N 2 1 340.471 2.169 20 30 EEEDMP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001132738008 1199965475 /nfs/dbraw/zinc/96/54/75/1199965475.db2.gz SZKSEZQFAHGOLD-MRXNPFEDSA-N 2 1 346.450 2.025 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001132738008 1199965478 /nfs/dbraw/zinc/96/54/78/1199965478.db2.gz SZKSEZQFAHGOLD-MRXNPFEDSA-N 2 1 346.450 2.025 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133360845 1200780583 /nfs/dbraw/zinc/78/05/83/1200780583.db2.gz PYGSSBYFBHGSQM-ICSRJNTNSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133360845 1200780586 /nfs/dbraw/zinc/78/05/86/1200780586.db2.gz PYGSSBYFBHGSQM-ICSRJNTNSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CC[N@@H+](C)CCCNCc1cc2c(cc1OC(F)F)OCO2 ZINC000883131212 1202017882 /nfs/dbraw/zinc/01/78/82/1202017882.db2.gz OVFWIPGYCVJZMI-UHFFFAOYSA-N 2 1 326.343 2.061 20 30 EEEDMP C#CCN(C)CCC[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000883131212 1202017883 /nfs/dbraw/zinc/01/78/83/1202017883.db2.gz OVFWIPGYCVJZMI-UHFFFAOYSA-N 2 1 326.343 2.061 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)C1 ZINC000887986482 1204526984 /nfs/dbraw/zinc/52/69/84/1204526984.db2.gz ZRYCXLCHIWDNID-IRXDYDNUSA-N 2 1 346.475 2.059 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)C1 ZINC000887986482 1204526988 /nfs/dbraw/zinc/52/69/88/1204526988.db2.gz ZRYCXLCHIWDNID-IRXDYDNUSA-N 2 1 346.475 2.059 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948065098 1208850877 /nfs/dbraw/zinc/85/08/77/1208850877.db2.gz HGQYPQMFUKQDGZ-AEFFLSMTSA-N 2 1 327.472 2.354 20 30 EEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000950506296 1210252852 /nfs/dbraw/zinc/25/28/52/1210252852.db2.gz YWJOZJVXQSWZOW-GOSISDBHSA-N 2 1 325.472 2.309 20 30 EEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000950506296 1210252856 /nfs/dbraw/zinc/25/28/56/1210252856.db2.gz YWJOZJVXQSWZOW-GOSISDBHSA-N 2 1 325.472 2.309 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC000957569171 1215219708 /nfs/dbraw/zinc/21/97/08/1215219708.db2.gz YKNTWHBNQVTMIZ-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000961949358 1217417312 /nfs/dbraw/zinc/41/73/12/1217417312.db2.gz VEMRIEULNAMPRR-QXSJWSMHSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000961949358 1217417316 /nfs/dbraw/zinc/41/73/16/1217417316.db2.gz VEMRIEULNAMPRR-QXSJWSMHSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000961949358 1217417320 /nfs/dbraw/zinc/41/73/20/1217417320.db2.gz VEMRIEULNAMPRR-QXSJWSMHSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000961949358 1217417323 /nfs/dbraw/zinc/41/73/23/1217417323.db2.gz VEMRIEULNAMPRR-QXSJWSMHSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC000962275925 1217585349 /nfs/dbraw/zinc/58/53/49/1217585349.db2.gz XAKZEMUWVPLZJM-VVLHAWIVSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC000962275925 1217585356 /nfs/dbraw/zinc/58/53/56/1217585356.db2.gz XAKZEMUWVPLZJM-VVLHAWIVSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962275925 1217585359 /nfs/dbraw/zinc/58/53/59/1217585359.db2.gz XAKZEMUWVPLZJM-VVLHAWIVSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962275925 1217585364 /nfs/dbraw/zinc/58/53/64/1217585364.db2.gz XAKZEMUWVPLZJM-VVLHAWIVSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000963823370 1218058229 /nfs/dbraw/zinc/05/82/29/1218058229.db2.gz HKGUJTXCSVULDH-WENYZVDWSA-N 2 1 339.911 2.486 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967319227 1220410598 /nfs/dbraw/zinc/41/05/98/1220410598.db2.gz YBKLMPATCXSMQI-YJBOKZPZSA-N 2 1 339.443 2.284 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277600 1222731118 /nfs/dbraw/zinc/73/11/18/1222731118.db2.gz SZRQNPXEQGGTJP-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277600 1222731121 /nfs/dbraw/zinc/73/11/21/1222731121.db2.gz SZRQNPXEQGGTJP-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008277600 1222731123 /nfs/dbraw/zinc/73/11/23/1222731123.db2.gz SZRQNPXEQGGTJP-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008277600 1222731126 /nfs/dbraw/zinc/73/11/26/1222731126.db2.gz SZRQNPXEQGGTJP-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016859053 1226926727 /nfs/dbraw/zinc/92/67/27/1226926727.db2.gz JVXUQDCKZPWOKV-INIZCTEOSA-N 2 1 328.460 2.001 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039141317 1230357572 /nfs/dbraw/zinc/35/75/72/1230357572.db2.gz VFZDPFLSAYNALC-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141317 1230357576 /nfs/dbraw/zinc/35/75/76/1230357576.db2.gz VFZDPFLSAYNALC-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141317 1230357578 /nfs/dbraw/zinc/35/75/78/1230357578.db2.gz VFZDPFLSAYNALC-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163412 1230385381 /nfs/dbraw/zinc/38/53/81/1230385381.db2.gz CLDYDCVUQXPINX-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163412 1230385386 /nfs/dbraw/zinc/38/53/86/1230385386.db2.gz CLDYDCVUQXPINX-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163412 1230385388 /nfs/dbraw/zinc/38/53/88/1230385388.db2.gz CLDYDCVUQXPINX-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165471 1230387528 /nfs/dbraw/zinc/38/75/28/1230387528.db2.gz QZAQDGLNEAVYRA-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039165471 1230387532 /nfs/dbraw/zinc/38/75/32/1230387532.db2.gz QZAQDGLNEAVYRA-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039165471 1230387537 /nfs/dbraw/zinc/38/75/37/1230387537.db2.gz QZAQDGLNEAVYRA-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001039386971 1230571530 /nfs/dbraw/zinc/57/15/30/1230571530.db2.gz MSTGQKHCVWCKHV-IKGGRYGDSA-N 2 1 328.460 2.402 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001039386971 1230571532 /nfs/dbraw/zinc/57/15/32/1230571532.db2.gz MSTGQKHCVWCKHV-IKGGRYGDSA-N 2 1 328.460 2.402 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039387263 1230572391 /nfs/dbraw/zinc/57/23/91/1230572391.db2.gz ZWEVBQUJEGFUQB-QRVBRYPASA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039387263 1230572395 /nfs/dbraw/zinc/57/23/95/1230572395.db2.gz ZWEVBQUJEGFUQB-QRVBRYPASA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039387263 1230572398 /nfs/dbraw/zinc/57/23/98/1230572398.db2.gz ZWEVBQUJEGFUQB-QRVBRYPASA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452395 1230619640 /nfs/dbraw/zinc/61/96/40/1230619640.db2.gz UFHCIKKHUKFWQK-UXHICEINSA-N 2 1 339.483 2.450 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCCC)CC1 ZINC001040014070 1230964165 /nfs/dbraw/zinc/96/41/65/1230964165.db2.gz DKTBTWJOLLMLDP-KDURUIRLSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433241 1231230253 /nfs/dbraw/zinc/23/02/53/1231230253.db2.gz VAZFULYHZUUPDI-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433241 1231230255 /nfs/dbraw/zinc/23/02/55/1231230255.db2.gz VAZFULYHZUUPDI-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433241 1231230257 /nfs/dbraw/zinc/23/02/57/1231230257.db2.gz VAZFULYHZUUPDI-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040479181 1231253782 /nfs/dbraw/zinc/25/37/82/1231253782.db2.gz OJYQGMPYJSTWGL-NRFANRHFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545595 1231286278 /nfs/dbraw/zinc/28/62/78/1231286278.db2.gz RQAJFGQQKCSJEE-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357145 1231518088 /nfs/dbraw/zinc/51/80/88/1231518088.db2.gz FCMKUJHPXHMETG-TZIWHRDSSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644495 1231635391 /nfs/dbraw/zinc/63/53/91/1231635391.db2.gz DYMLZMBQZNWQCB-NVXWUHKLSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644495 1231635393 /nfs/dbraw/zinc/63/53/93/1231635393.db2.gz DYMLZMBQZNWQCB-NVXWUHKLSA-N 2 1 327.900 2.250 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042111241 1231895850 /nfs/dbraw/zinc/89/58/50/1231895850.db2.gz IDVKQHWZQGIFBH-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC001042157538 1231925445 /nfs/dbraw/zinc/92/54/45/1231925445.db2.gz RJCNZAHZPZCCLO-VQIMIIECSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC001042157538 1231925447 /nfs/dbraw/zinc/92/54/47/1231925447.db2.gz RJCNZAHZPZCCLO-VQIMIIECSA-N 2 1 342.487 2.261 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001042959761 1232209497 /nfs/dbraw/zinc/20/94/97/1232209497.db2.gz BSJATLYJOBHJAV-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001042959761 1232209504 /nfs/dbraw/zinc/20/95/04/1232209504.db2.gz BSJATLYJOBHJAV-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001045943313 1234202653 /nfs/dbraw/zinc/20/26/53/1234202653.db2.gz HUMZONFXKRFBAN-PXNSSMCTSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001045943313 1234202656 /nfs/dbraw/zinc/20/26/56/1234202656.db2.gz HUMZONFXKRFBAN-PXNSSMCTSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864489 1235262224 /nfs/dbraw/zinc/26/22/24/1235262224.db2.gz VGIZWESHUICOLH-LJQANCHMSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=C)Cl)C3)CC1 ZINC001047209200 1235672786 /nfs/dbraw/zinc/67/27/86/1235672786.db2.gz RHLOQZCJQHSDLP-JQHSSLGASA-N 2 1 349.906 2.053 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525113 1237861294 /nfs/dbraw/zinc/86/12/94/1237861294.db2.gz LLZSHGJAZSZEDA-LTFPLMDUSA-N 2 1 343.515 2.243 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)C2 ZINC001048525113 1237861306 /nfs/dbraw/zinc/86/13/06/1237861306.db2.gz LLZSHGJAZSZEDA-LTFPLMDUSA-N 2 1 343.515 2.243 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)C2 ZINC001048525113 1237861321 /nfs/dbraw/zinc/86/13/21/1237861321.db2.gz LLZSHGJAZSZEDA-LTFPLMDUSA-N 2 1 343.515 2.243 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000020371 1239821505 /nfs/dbraw/zinc/82/15/05/1239821505.db2.gz LWYDZZKENBEHOI-LSDHHAIUSA-N 2 1 336.867 2.087 20 30 EEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049060025 1239890789 /nfs/dbraw/zinc/89/07/89/1239890789.db2.gz LRRAKLSGPWMFOI-JTDSTZFVSA-N 2 1 337.483 2.165 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049060025 1239890795 /nfs/dbraw/zinc/89/07/95/1239890795.db2.gz LRRAKLSGPWMFOI-JTDSTZFVSA-N 2 1 337.483 2.165 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049060025 1239890812 /nfs/dbraw/zinc/89/08/12/1239890812.db2.gz LRRAKLSGPWMFOI-JTDSTZFVSA-N 2 1 337.483 2.165 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000776875 1240919972 /nfs/dbraw/zinc/91/99/72/1240919972.db2.gz MNXSNVFJSQDPFL-LJQANCHMSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001000776875 1240919978 /nfs/dbraw/zinc/91/99/78/1240919978.db2.gz MNXSNVFJSQDPFL-LJQANCHMSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001000776875 1240919985 /nfs/dbraw/zinc/91/99/85/1240919985.db2.gz MNXSNVFJSQDPFL-LJQANCHMSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049472795 1241053267 /nfs/dbraw/zinc/05/32/67/1241053267.db2.gz HCRCRALNZRBRMU-YZGWKJHDSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001049472795 1241053280 /nfs/dbraw/zinc/05/32/80/1241053280.db2.gz HCRCRALNZRBRMU-YZGWKJHDSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001049472795 1241053290 /nfs/dbraw/zinc/05/32/90/1241053290.db2.gz HCRCRALNZRBRMU-YZGWKJHDSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)C ZINC001049530000 1241263478 /nfs/dbraw/zinc/26/34/78/1241263478.db2.gz UZHMSZKEVLBUIF-FHWLQOOXSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)C ZINC001049530000 1241263487 /nfs/dbraw/zinc/26/34/87/1241263487.db2.gz UZHMSZKEVLBUIF-FHWLQOOXSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)C ZINC001049530000 1241263498 /nfs/dbraw/zinc/26/34/98/1241263498.db2.gz UZHMSZKEVLBUIF-FHWLQOOXSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)C ZINC001049530000 1241263508 /nfs/dbraw/zinc/26/35/08/1241263508.db2.gz UZHMSZKEVLBUIF-FHWLQOOXSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049918856 1242708684 /nfs/dbraw/zinc/70/86/84/1242708684.db2.gz MZLPFAREMMIRGV-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC[C@H](C)F)C[C@H]32)CC1 ZINC001050208412 1243125569 /nfs/dbraw/zinc/12/55/69/1243125569.db2.gz KIICWDGAKMLXKI-YTQUADARSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)CC1 ZINC001050524405 1243779868 /nfs/dbraw/zinc/77/98/68/1243779868.db2.gz BDDLOFAFHWGZAK-KRWDZBQOSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@H]3C[NH+]4CCC3CC4)cccc2C1 ZINC001051288741 1245481395 /nfs/dbraw/zinc/48/13/95/1245481395.db2.gz VUGKJRYYSZFCFH-FQEVSTJZSA-N 2 1 339.483 2.189 20 30 EEEDMP C=C(C)C[N@H+]1CCc2c(CNC(=O)C34CC[NH+](CC3)C4)cccc2C1 ZINC001051305598 1245508846 /nfs/dbraw/zinc/50/88/46/1245508846.db2.gz LWWAHUQEOMFDKH-UHFFFAOYSA-N 2 1 339.483 2.333 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382453 1245744196 /nfs/dbraw/zinc/74/41/96/1245744196.db2.gz IJXHZHOZMPRUSU-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101985025 1246280457 /nfs/dbraw/zinc/28/04/57/1246280457.db2.gz WWWBDWXUFRNJIG-IXDOHACOSA-N 2 1 330.476 2.104 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101985025 1246280461 /nfs/dbraw/zinc/28/04/61/1246280461.db2.gz WWWBDWXUFRNJIG-IXDOHACOSA-N 2 1 330.476 2.104 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001097894086 1246370679 /nfs/dbraw/zinc/37/06/79/1246370679.db2.gz UAVCTLQITMITIG-OBKDMQGPSA-N 2 1 339.483 2.239 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001097894086 1246370688 /nfs/dbraw/zinc/37/06/88/1246370688.db2.gz UAVCTLQITMITIG-OBKDMQGPSA-N 2 1 339.483 2.239 20 30 EEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001097894086 1246370695 /nfs/dbraw/zinc/37/06/95/1246370695.db2.gz UAVCTLQITMITIG-OBKDMQGPSA-N 2 1 339.483 2.239 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054132195 1247479736 /nfs/dbraw/zinc/47/97/36/1247479736.db2.gz BCRFVSHRCOYXPO-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164677 1247581482 /nfs/dbraw/zinc/58/14/82/1247581482.db2.gz PDJPUBZJHKTVDA-FQEVSTJZSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054181848 1247636754 /nfs/dbraw/zinc/63/67/54/1247636754.db2.gz AFHBGVMVEAASDJ-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054181848 1247636764 /nfs/dbraw/zinc/63/67/64/1247636764.db2.gz AFHBGVMVEAASDJ-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054181848 1247636776 /nfs/dbraw/zinc/63/67/76/1247636776.db2.gz AFHBGVMVEAASDJ-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054245054 1247863560 /nfs/dbraw/zinc/86/35/60/1247863560.db2.gz NVSGIDWHEAQVRV-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245054 1247863585 /nfs/dbraw/zinc/86/35/85/1247863585.db2.gz NVSGIDWHEAQVRV-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245054 1247863600 /nfs/dbraw/zinc/86/36/00/1247863600.db2.gz NVSGIDWHEAQVRV-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099250591 1258035071 /nfs/dbraw/zinc/03/50/71/1258035071.db2.gz VEVJNELGNYKKFY-RBSFLKMASA-N 2 1 347.425 2.414 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099259471 1258045700 /nfs/dbraw/zinc/04/57/00/1258045700.db2.gz IFLLUVUTELBSLZ-KFWWJZLASA-N 2 1 347.425 2.416 20 30 EEEDMP CN(CCC#N)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850396938 1277211294 /nfs/dbraw/zinc/21/12/94/1277211294.db2.gz RLWDHCRACUJRHT-FQEVSTJZSA-N 2 1 342.487 2.379 20 30 EEEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484424 1284625577 /nfs/dbraw/zinc/62/55/77/1284625577.db2.gz DDVGWLSLKIAXMX-GOSISDBHSA-N 2 1 339.524 2.090 20 30 EEEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313541 1284933295 /nfs/dbraw/zinc/93/32/95/1284933295.db2.gz SOGFROUNAHSKNB-IBGZPJMESA-N 2 1 327.472 2.283 20 30 EEEDMP C=CCC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1OC ZINC001198902094 1285402322 /nfs/dbraw/zinc/40/23/22/1285402322.db2.gz DOMYQPBKUGTUSM-FUHWJXTLSA-N 2 1 345.487 2.360 20 30 EEEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060175 1289893488 /nfs/dbraw/zinc/89/34/88/1289893488.db2.gz TYMOERPUAWEXOR-QZTJIDSGSA-N 2 1 339.524 2.116 20 30 EEEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214637 1294351245 /nfs/dbraw/zinc/35/12/45/1294351245.db2.gz LZCSXTFFWLUMBV-INIZCTEOSA-N 2 1 330.476 2.188 20 30 EEEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214637 1294351251 /nfs/dbraw/zinc/35/12/51/1294351251.db2.gz LZCSXTFFWLUMBV-INIZCTEOSA-N 2 1 330.476 2.188 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213753906 1296160515 /nfs/dbraw/zinc/16/05/15/1296160515.db2.gz PBDONTLDCYBSSI-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001214878709 1296633011 /nfs/dbraw/zinc/63/30/11/1296633011.db2.gz CCYVOCUEWRIPIX-QRQLOZEOSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001214878709 1296633027 /nfs/dbraw/zinc/63/30/27/1296633027.db2.gz CCYVOCUEWRIPIX-QRQLOZEOSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544304 1296935854 /nfs/dbraw/zinc/93/58/54/1296935854.db2.gz OKYBMUPHOMYOQV-QGPMSJSTSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062727 1298848201 /nfs/dbraw/zinc/84/82/01/1298848201.db2.gz BVSXVTFTRFDIHV-WMZOPIPTSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062727 1298848210 /nfs/dbraw/zinc/84/82/10/1298848210.db2.gz BVSXVTFTRFDIHV-WMZOPIPTSA-N 2 1 339.911 2.442 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221642732 1298972380 /nfs/dbraw/zinc/97/23/80/1298972380.db2.gz FKAWTXIYMYMBCI-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659488 1298977541 /nfs/dbraw/zinc/97/75/41/1298977541.db2.gz QORREUKQQYKKIG-SJLPKXTDSA-N 2 1 328.460 2.017 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001099503510 1299173341 /nfs/dbraw/zinc/17/33/41/1299173341.db2.gz CQIVFXAVPFYKRD-OKYOBFRVSA-N 2 1 343.515 2.053 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CCC)C1 ZINC001099547248 1299208193 /nfs/dbraw/zinc/20/81/93/1299208193.db2.gz BMGGVMHOOVIPLB-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099547248 1299208208 /nfs/dbraw/zinc/20/82/08/1299208208.db2.gz BMGGVMHOOVIPLB-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099547248 1299208220 /nfs/dbraw/zinc/20/82/20/1299208220.db2.gz BMGGVMHOOVIPLB-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001226333819 1301363022 /nfs/dbraw/zinc/36/30/22/1301363022.db2.gz NJAMRGARGIDIEJ-BRWVUGGUSA-N 2 1 330.476 2.437 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237105 1302557459 /nfs/dbraw/zinc/55/74/59/1302557459.db2.gz GNCXRJLRZPJGCN-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237105 1302557467 /nfs/dbraw/zinc/55/74/67/1302557467.db2.gz GNCXRJLRZPJGCN-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001229134964 1302635688 /nfs/dbraw/zinc/63/56/88/1302635688.db2.gz JLLUVAGRLLGHAM-QZTJIDSGSA-N 2 1 337.508 2.082 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001103773547 1303316826 /nfs/dbraw/zinc/31/68/26/1303316826.db2.gz DAIFBIDBWQDNOJ-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001103773547 1303316833 /nfs/dbraw/zinc/31/68/33/1303316833.db2.gz DAIFBIDBWQDNOJ-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001103773547 1303316838 /nfs/dbraw/zinc/31/68/38/1303316838.db2.gz DAIFBIDBWQDNOJ-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001103773547 1303316845 /nfs/dbraw/zinc/31/68/45/1303316845.db2.gz DAIFBIDBWQDNOJ-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112072147 1304202923 /nfs/dbraw/zinc/20/29/23/1304202923.db2.gz LJSNGMDUFJGADU-MCIONIFRSA-N 2 1 333.398 2.026 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001112359723 1304490977 /nfs/dbraw/zinc/49/09/77/1304490977.db2.gz HDFVNOBPGWFBHS-HPFXQQBRSA-N 2 1 339.911 2.297 20 30 EEEDMP C#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)c1 ZINC001235352631 1305203415 /nfs/dbraw/zinc/20/34/15/1305203415.db2.gz QNHFDJGHKWVOHT-ICSRJNTNSA-N 2 1 326.440 2.033 20 30 EEEDMP C#CCOc1cccc(Cl)c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000799346200 1305234110 /nfs/dbraw/zinc/23/41/10/1305234110.db2.gz GFFZOGFGPPHZGT-UHFFFAOYSA-N 2 1 349.906 2.468 20 30 EEEDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1C#Cc1ccccc1 ZINC001236083103 1305498622 /nfs/dbraw/zinc/49/86/22/1305498622.db2.gz NTMAGBDTYDCTOZ-UHFFFAOYSA-N 2 1 333.479 2.423 20 30 EEEDMP C=CC[NH2+]C1(CNC(=O)Cn2c[nH+]c3c2CCCC3)CCCCC1 ZINC001115631621 1305544345 /nfs/dbraw/zinc/54/43/45/1305544345.db2.gz LCXQGMUUNFMFGL-UHFFFAOYSA-N 2 1 330.476 2.357 20 30 EEEDMP C=CCC[C@@H](O)C[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246011910 1310209475 /nfs/dbraw/zinc/20/94/75/1310209475.db2.gz LJVVCIARSUPRSR-QZTJIDSGSA-N 2 1 334.460 2.144 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)Cc1ccccc1OC ZINC001246302159 1310276760 /nfs/dbraw/zinc/27/67/60/1310276760.db2.gz ASSDGUWQLQWCAV-WBVHZDCISA-N 2 1 334.460 2.443 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406240 1320155945 /nfs/dbraw/zinc/15/59/45/1320155945.db2.gz LKFQUJSSWAAWQH-INIZCTEOSA-N 2 1 327.900 2.464 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406240 1320155948 /nfs/dbraw/zinc/15/59/48/1320155948.db2.gz LKFQUJSSWAAWQH-INIZCTEOSA-N 2 1 327.900 2.464 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC001160866294 1320296255 /nfs/dbraw/zinc/29/62/55/1320296255.db2.gz AMPYTYPYFBGDDG-MOPGFXCFSA-N 2 1 340.471 2.171 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001152451818 1316672665 /nfs/dbraw/zinc/67/26/65/1316672665.db2.gz IMEPKEMYJHCTHT-GOSISDBHSA-N 2 1 347.890 2.272 20 30 EEEDMP CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904251 1317377862 /nfs/dbraw/zinc/37/78/62/1317377862.db2.gz QMWIGNQIMUGQGD-QGZVFWFLSA-N 2 1 347.478 2.346 20 30 EEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249940 1317521939 /nfs/dbraw/zinc/52/19/39/1317521939.db2.gz VLRWDEILDGJQML-QGZVFWFLSA-N 2 1 329.488 2.254 20 30 EEEDMP C=CCOC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252469008 1317608814 /nfs/dbraw/zinc/60/88/14/1317608814.db2.gz SZXPRCBMQYTRTN-VQTJNVASSA-N 2 1 330.472 2.148 20 30 EEEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001252474018 1317612369 /nfs/dbraw/zinc/61/23/69/1317612369.db2.gz UYUHDYFAODIISD-HSALFYBXSA-N 2 1 330.472 2.004 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001252474018 1317612373 /nfs/dbraw/zinc/61/23/73/1317612373.db2.gz UYUHDYFAODIISD-HSALFYBXSA-N 2 1 330.472 2.004 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001252474018 1317612378 /nfs/dbraw/zinc/61/23/78/1317612378.db2.gz UYUHDYFAODIISD-HSALFYBXSA-N 2 1 330.472 2.004 20 30 EEEDMP C=CCC[C@@H](O)C[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001252620858 1317647504 /nfs/dbraw/zinc/64/75/04/1317647504.db2.gz PSIQPTCQCNRXQB-VAMGGRTRSA-N 2 1 335.536 2.242 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)s1 ZINC001158040744 1318981294 /nfs/dbraw/zinc/98/12/94/1318981294.db2.gz YYFIPYOBTLBHAI-HUUCEWRRSA-N 2 1 346.500 2.090 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131247 1320078107 /nfs/dbraw/zinc/07/81/07/1320078107.db2.gz IKEFZZLWYNHLNJ-OALUTQOASA-N 2 1 329.488 2.023 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131247 1320078112 /nfs/dbraw/zinc/07/81/12/1320078112.db2.gz IKEFZZLWYNHLNJ-OALUTQOASA-N 2 1 329.488 2.023 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131247 1320078116 /nfs/dbraw/zinc/07/81/16/1320078116.db2.gz IKEFZZLWYNHLNJ-OALUTQOASA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001161212815 1320422123 /nfs/dbraw/zinc/42/21/23/1320422123.db2.gz BAWUISAARAZQMG-HXUWFJFHSA-N 2 1 349.494 2.361 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001161212815 1320422124 /nfs/dbraw/zinc/42/21/24/1320422124.db2.gz BAWUISAARAZQMG-HXUWFJFHSA-N 2 1 349.494 2.361 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001161212815 1320422128 /nfs/dbraw/zinc/42/21/28/1320422128.db2.gz BAWUISAARAZQMG-HXUWFJFHSA-N 2 1 349.494 2.361 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924808 1320678062 /nfs/dbraw/zinc/67/80/62/1320678062.db2.gz LXJKPWUJPATPMU-QZTJIDSGSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952966 1320692739 /nfs/dbraw/zinc/69/27/39/1320692739.db2.gz NBDAWVFRWWVNJT-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952966 1320692742 /nfs/dbraw/zinc/69/27/42/1320692742.db2.gz NBDAWVFRWWVNJT-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952966 1320692745 /nfs/dbraw/zinc/69/27/45/1320692745.db2.gz NBDAWVFRWWVNJT-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)CCC=C)CC1 ZINC001165545872 1321543861 /nfs/dbraw/zinc/54/38/61/1321543861.db2.gz SLADYKOVUBOQHB-MSOLQXFVSA-N 2 1 331.504 2.315 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)CCC=C)CC1 ZINC001165545872 1321543862 /nfs/dbraw/zinc/54/38/62/1321543862.db2.gz SLADYKOVUBOQHB-MSOLQXFVSA-N 2 1 331.504 2.315 20 30 EEEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518873 1323173891 /nfs/dbraw/zinc/17/38/91/1323173891.db2.gz NUXYLJKELHWTOG-MOPGFXCFSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC/C=C/CCC)C1 ZINC001208352860 1324445357 /nfs/dbraw/zinc/44/53/57/1324445357.db2.gz QXIRHHBCXWZSPB-FNYRVFDFSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC/C=C/CCC)C1 ZINC001208352860 1324445361 /nfs/dbraw/zinc/44/53/61/1324445361.db2.gz QXIRHHBCXWZSPB-FNYRVFDFSA-N 2 1 331.504 2.411 20 30 EEEDMP C=CCc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1O ZINC001276684319 1325289750 /nfs/dbraw/zinc/28/97/50/1325289750.db2.gz BQQQUJRMFCWQGW-OALUTQOASA-N 2 1 329.488 2.331 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001389361143 1388072386 /nfs/dbraw/zinc/07/23/86/1388072386.db2.gz PVJMUONQQFHEKN-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(C)c1 ZINC001117781635 1371761982 /nfs/dbraw/zinc/76/19/82/1371761982.db2.gz IXNCTTQQOHKKBH-FQEVSTJZSA-N 2 1 341.499 2.421 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001117781635 1371761984 /nfs/dbraw/zinc/76/19/84/1371761984.db2.gz IXNCTTQQOHKKBH-FQEVSTJZSA-N 2 1 341.499 2.421 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001117781635 1371761988 /nfs/dbraw/zinc/76/19/88/1371761988.db2.gz IXNCTTQQOHKKBH-FQEVSTJZSA-N 2 1 341.499 2.421 20 30 EEEDMP C=CCn1c([C@@H]2CCCN2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001121682221 1371912923 /nfs/dbraw/zinc/91/29/23/1371912923.db2.gz NVJGTQDFQSFBHR-SJORKVTESA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001121682221 1371912931 /nfs/dbraw/zinc/91/29/31/1371912931.db2.gz NVJGTQDFQSFBHR-SJORKVTESA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001121682221 1371912938 /nfs/dbraw/zinc/91/29/38/1371912938.db2.gz NVJGTQDFQSFBHR-SJORKVTESA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001121682221 1371912944 /nfs/dbraw/zinc/91/29/44/1371912944.db2.gz NVJGTQDFQSFBHR-SJORKVTESA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001121682221 1371912950 /nfs/dbraw/zinc/91/29/50/1371912950.db2.gz NVJGTQDFQSFBHR-SJORKVTESA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100679892 1373118345 /nfs/dbraw/zinc/11/83/45/1373118345.db2.gz UMDFXSVITGMZOX-JMLCCBQJSA-N 2 1 325.472 2.259 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001389878183 1388344018 /nfs/dbraw/zinc/34/40/18/1388344018.db2.gz AEZJIMYFYMERQO-JOCQHMNTSA-N 2 1 346.313 2.110 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001370887888 1375102392 /nfs/dbraw/zinc/10/23/92/1375102392.db2.gz RUKCCMJBAMGPCS-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(F)c(C#N)c1 ZINC001372362211 1375962764 /nfs/dbraw/zinc/96/27/64/1375962764.db2.gz PSBCKVQRLZOEDC-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001375779772 1377998770 /nfs/dbraw/zinc/99/87/70/1377998770.db2.gz BANXIBFJUDLALB-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001392509315 1390072102 /nfs/dbraw/zinc/07/21/02/1390072102.db2.gz GIOUYROKNSTEKQ-OAHLLOKOSA-N 2 1 330.476 2.130 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001398203762 1391824523 /nfs/dbraw/zinc/82/45/23/1391824523.db2.gz PXEUPPJXNOKYEE-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccc(C#N)s1 ZINC001399719864 1395438610 /nfs/dbraw/zinc/43/86/10/1395438610.db2.gz WEJLTRROQFRBKL-QGZVFWFLSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccc(C#N)s1 ZINC001399719864 1395438614 /nfs/dbraw/zinc/43/86/14/1395438614.db2.gz WEJLTRROQFRBKL-QGZVFWFLSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccc(C#N)s1 ZINC001399719864 1395438621 /nfs/dbraw/zinc/43/86/21/1395438621.db2.gz WEJLTRROQFRBKL-QGZVFWFLSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1ccc(C#N)s1 ZINC001399719864 1395438628 /nfs/dbraw/zinc/43/86/28/1395438628.db2.gz WEJLTRROQFRBKL-QGZVFWFLSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001400808006 1396602663 /nfs/dbraw/zinc/60/26/63/1396602663.db2.gz CTJNASXWYLLTFU-ZDUSSCGKSA-N 2 1 334.489 2.088 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001423522126 1400617391 /nfs/dbraw/zinc/61/73/91/1400617391.db2.gz IKCKIRDRGYZECO-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001423522126 1400617403 /nfs/dbraw/zinc/61/74/03/1400617403.db2.gz IKCKIRDRGYZECO-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C#CC[C@]1(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574515921 1403521533 /nfs/dbraw/zinc/52/15/33/1403521533.db2.gz BEPVZAPHFITKDK-GHTZIAJQSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cccc(C)c1 ZINC001755501708 1407546621 /nfs/dbraw/zinc/54/66/21/1407546621.db2.gz NQWMUYDXFZLNJW-QUCCMNQESA-N 2 1 341.499 2.467 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cccc(C)c1 ZINC001755501708 1407546629 /nfs/dbraw/zinc/54/66/29/1407546629.db2.gz NQWMUYDXFZLNJW-QUCCMNQESA-N 2 1 341.499 2.467 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC/C=C\CCC)C1 ZINC001100415383 1410653472 /nfs/dbraw/zinc/65/34/72/1410653472.db2.gz NRCORWGBZNCWJP-SBDAGSLNSA-N 2 1 331.504 2.315 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC/C=C\CCC)C1 ZINC001100415383 1410653478 /nfs/dbraw/zinc/65/34/78/1410653478.db2.gz NRCORWGBZNCWJP-SBDAGSLNSA-N 2 1 331.504 2.315 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)[C@@H]2CC)CC1 ZINC001087840359 782349647 /nfs/dbraw/zinc/34/96/47/782349647.db2.gz UGVDTNANDONLBZ-RBUKOAKNSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942442813 782438102 /nfs/dbraw/zinc/43/81/02/782438102.db2.gz AKYNQNJNEDFXDX-WBVHZDCISA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001104424544 760680557 /nfs/dbraw/zinc/68/05/57/760680557.db2.gz JXHVVWPDKTXVGH-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001098606129 765201612 /nfs/dbraw/zinc/20/16/12/765201612.db2.gz OAKWIIFDORXUFK-QGZVFWFLSA-N 2 1 349.519 2.129 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001213437780 770028266 /nfs/dbraw/zinc/02/82/66/770028266.db2.gz JKVIGBSFCKAUBE-KZNAEPCWSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001213437780 770028283 /nfs/dbraw/zinc/02/82/83/770028283.db2.gz JKVIGBSFCKAUBE-KZNAEPCWSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001213437780 770028294 /nfs/dbraw/zinc/02/82/94/770028294.db2.gz JKVIGBSFCKAUBE-KZNAEPCWSA-N 2 1 339.524 2.257 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565703 770431176 /nfs/dbraw/zinc/43/11/76/770431176.db2.gz XGDZBBZLPMDTEW-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565703 770431183 /nfs/dbraw/zinc/43/11/83/770431183.db2.gz XGDZBBZLPMDTEW-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565703 770431188 /nfs/dbraw/zinc/43/11/88/770431188.db2.gz XGDZBBZLPMDTEW-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213418 783066338 /nfs/dbraw/zinc/06/63/38/783066338.db2.gz ZYKHNGMFXKIZMN-HSALFYBXSA-N 2 1 339.483 2.093 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213418 783066342 /nfs/dbraw/zinc/06/63/42/783066342.db2.gz ZYKHNGMFXKIZMN-HSALFYBXSA-N 2 1 339.483 2.093 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980212177 774103531 /nfs/dbraw/zinc/10/35/31/774103531.db2.gz IGEBEGLMKULNAT-JYJNAYRXSA-N 2 1 328.460 2.164 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001031741402 774190067 /nfs/dbraw/zinc/19/00/67/774190067.db2.gz YPINMHGKGHURKR-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001031741402 774190069 /nfs/dbraw/zinc/19/00/69/774190069.db2.gz YPINMHGKGHURKR-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000997613287 790447254 /nfs/dbraw/zinc/44/72/54/790447254.db2.gz IAXUICKIJVUGID-LPHOPBHVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000981232375 776879004 /nfs/dbraw/zinc/87/90/04/776879004.db2.gz ZNFUNRRFNBGHFU-CVEARBPZSA-N 2 1 330.476 2.355 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767726 778165028 /nfs/dbraw/zinc/16/50/28/778165028.db2.gz UUVJFHFKCDUWJO-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981767726 778165031 /nfs/dbraw/zinc/16/50/31/778165031.db2.gz UUVJFHFKCDUWJO-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767726 778165033 /nfs/dbraw/zinc/16/50/33/778165033.db2.gz UUVJFHFKCDUWJO-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028138753 778355295 /nfs/dbraw/zinc/35/52/95/778355295.db2.gz BDGVLQOPMOWLJU-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028138753 778355302 /nfs/dbraw/zinc/35/53/02/778355302.db2.gz BDGVLQOPMOWLJU-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC000982168968 779208558 /nfs/dbraw/zinc/20/85/58/779208558.db2.gz JYCYSDFRWBJYQB-UHFFFAOYSA-N 2 1 343.471 2.293 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC001127701097 779784639 /nfs/dbraw/zinc/78/46/39/779784639.db2.gz IFQWNFNPSBYSQW-FUHWJXTLSA-N 2 1 347.890 2.128 20 30 EEEDMP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135584354 784015608 /nfs/dbraw/zinc/01/56/08/784015608.db2.gz MNPBDDLCTPBNNY-HZPDHXFCSA-N 2 1 336.480 2.082 20 30 EEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)c1cc(C[NH+](C)C)on1)CC2 ZINC001035202530 784046819 /nfs/dbraw/zinc/04/68/19/784046819.db2.gz XOZWCQCWZRRYAE-UHFFFAOYSA-N 2 1 346.475 2.240 20 30 EEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1cc(C[NH+](C)C)on1)CC2 ZINC001035202530 784046829 /nfs/dbraw/zinc/04/68/29/784046829.db2.gz XOZWCQCWZRRYAE-UHFFFAOYSA-N 2 1 346.475 2.240 20 30 EEEDMP C=C(C)CN1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001035571579 784704768 /nfs/dbraw/zinc/70/47/68/784704768.db2.gz FCSNGNPBRRWKKZ-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299806 786234279 /nfs/dbraw/zinc/23/42/79/786234279.db2.gz DOFVMHKSOGAJJZ-KDOFPFPSSA-N 2 1 325.472 2.212 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)COC[C@H](C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107552450 787608065 /nfs/dbraw/zinc/60/80/65/787608065.db2.gz NKZWOJVAPCACSA-NLWGTHIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001109653039 805830475 /nfs/dbraw/zinc/83/04/75/805830475.db2.gz LEQWTWGCMXDGIU-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646877 787997959 /nfs/dbraw/zinc/99/79/59/787997959.db2.gz ZSMXXTOEXMUTNB-SVFBPWRDSA-N 2 1 339.483 2.283 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646877 787997963 /nfs/dbraw/zinc/99/79/63/787997963.db2.gz ZSMXXTOEXMUTNB-SVFBPWRDSA-N 2 1 339.483 2.283 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816135 788523199 /nfs/dbraw/zinc/52/31/99/788523199.db2.gz AWXJNUNLFXHOHM-PKOBYXMFSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107816135 788523206 /nfs/dbraw/zinc/52/32/06/788523206.db2.gz AWXJNUNLFXHOHM-PKOBYXMFSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001107816135 788523214 /nfs/dbraw/zinc/52/32/14/788523214.db2.gz AWXJNUNLFXHOHM-PKOBYXMFSA-N 2 1 339.524 2.258 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ccnc2C)C1 ZINC001089909698 789828769 /nfs/dbraw/zinc/82/87/69/789828769.db2.gz YELRFLKCOFUTCA-QAETUUGQSA-N 2 1 348.878 2.113 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001089909698 789828777 /nfs/dbraw/zinc/82/87/77/789828777.db2.gz YELRFLKCOFUTCA-QAETUUGQSA-N 2 1 348.878 2.113 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088980202 791802826 /nfs/dbraw/zinc/80/28/26/791802826.db2.gz AKIZUAMCJOZMAZ-KEYYUXOJSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088980202 791802829 /nfs/dbraw/zinc/80/28/29/791802829.db2.gz AKIZUAMCJOZMAZ-KEYYUXOJSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001088980202 791802833 /nfs/dbraw/zinc/80/28/33/791802833.db2.gz AKIZUAMCJOZMAZ-KEYYUXOJSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001088980202 791802837 /nfs/dbraw/zinc/80/28/37/791802837.db2.gz AKIZUAMCJOZMAZ-KEYYUXOJSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001206030556 806099860 /nfs/dbraw/zinc/09/98/60/806099860.db2.gz BIINOPTWNZKGCQ-HOCLYGCPSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1nccs1 ZINC001171308351 791854329 /nfs/dbraw/zinc/85/43/29/791854329.db2.gz RBZITOVMFSRXAG-CVEARBPZSA-N 2 1 348.516 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1nccs1 ZINC001171308351 791854330 /nfs/dbraw/zinc/85/43/30/791854330.db2.gz RBZITOVMFSRXAG-CVEARBPZSA-N 2 1 348.516 2.005 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](CC=C)CC2)CC1 ZINC000998195710 792200942 /nfs/dbraw/zinc/20/09/42/792200942.db2.gz GXBBIGWHSPFMQP-IBGZPJMESA-N 2 1 331.504 2.221 20 30 EEEDMP C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091685030 792225721 /nfs/dbraw/zinc/22/57/21/792225721.db2.gz YRQPKWHMTUCPOK-HPFXQQBRSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091685030 792225730 /nfs/dbraw/zinc/22/57/30/792225730.db2.gz YRQPKWHMTUCPOK-HPFXQQBRSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091685030 792225739 /nfs/dbraw/zinc/22/57/39/792225739.db2.gz YRQPKWHMTUCPOK-HPFXQQBRSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091685030 792225747 /nfs/dbraw/zinc/22/57/47/792225747.db2.gz YRQPKWHMTUCPOK-HPFXQQBRSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091685030 792225754 /nfs/dbraw/zinc/22/57/54/792225754.db2.gz YRQPKWHMTUCPOK-HPFXQQBRSA-N 2 1 339.911 2.250 20 30 EEEDMP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C(F)(F)F ZINC000998298822 792503672 /nfs/dbraw/zinc/50/36/72/792503672.db2.gz YYRZJNUIUYBEMZ-KGLIPLIRSA-N 2 1 347.425 2.273 20 30 EEEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148755255 792689467 /nfs/dbraw/zinc/68/94/67/792689467.db2.gz RHVCBNUGNGDNNG-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148755255 792689474 /nfs/dbraw/zinc/68/94/74/792689474.db2.gz RHVCBNUGNGDNNG-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091854661 793357426 /nfs/dbraw/zinc/35/74/26/793357426.db2.gz MYXBFIZNCKIXGN-QAPCUYQASA-N 2 1 344.846 2.481 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091854661 793357436 /nfs/dbraw/zinc/35/74/36/793357436.db2.gz MYXBFIZNCKIXGN-QAPCUYQASA-N 2 1 344.846 2.481 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071201 793534586 /nfs/dbraw/zinc/53/45/86/793534586.db2.gz LNOUYQQWORRWBD-HBFSDRIKSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071201 793534594 /nfs/dbraw/zinc/53/45/94/793534594.db2.gz LNOUYQQWORRWBD-HBFSDRIKSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071201 793534600 /nfs/dbraw/zinc/53/46/00/793534600.db2.gz LNOUYQQWORRWBD-HBFSDRIKSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(C)c2)C1 ZINC000998923899 793567926 /nfs/dbraw/zinc/56/79/26/793567926.db2.gz YEQRYDZXGNTHTI-MHJFOBGBSA-N 2 1 339.483 2.172 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(C)c2)C1 ZINC000998923899 793567930 /nfs/dbraw/zinc/56/79/30/793567930.db2.gz YEQRYDZXGNTHTI-MHJFOBGBSA-N 2 1 339.483 2.172 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001092689301 794262973 /nfs/dbraw/zinc/26/29/73/794262973.db2.gz HWDDLXDEPWKAFA-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001092689301 794262979 /nfs/dbraw/zinc/26/29/79/794262979.db2.gz HWDDLXDEPWKAFA-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001092689301 794262987 /nfs/dbraw/zinc/26/29/87/794262987.db2.gz HWDDLXDEPWKAFA-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001092689301 794262997 /nfs/dbraw/zinc/26/29/97/794262997.db2.gz HWDDLXDEPWKAFA-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC2(CCOCC2)C1 ZINC001089941975 794271627 /nfs/dbraw/zinc/27/16/27/794271627.db2.gz NMPDZKGPHSZGQN-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC2(CCOCC2)C1 ZINC001089941975 794271634 /nfs/dbraw/zinc/27/16/34/794271634.db2.gz NMPDZKGPHSZGQN-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC2(CCOCC2)C1 ZINC001089941975 794271643 /nfs/dbraw/zinc/27/16/43/794271643.db2.gz NMPDZKGPHSZGQN-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000999409631 794425406 /nfs/dbraw/zinc/42/54/06/794425406.db2.gz RGAXHXMPVVHXJO-WLYUNCDWSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093120546 794652843 /nfs/dbraw/zinc/65/28/43/794652843.db2.gz KZEFYHAMPGQHTR-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120546 794652846 /nfs/dbraw/zinc/65/28/46/794652846.db2.gz KZEFYHAMPGQHTR-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120546 794652852 /nfs/dbraw/zinc/65/28/52/794652852.db2.gz KZEFYHAMPGQHTR-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093360953 795086722 /nfs/dbraw/zinc/08/67/22/795086722.db2.gz GOGSGMIPSOMIPI-RTBURBONSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001093360953 795086728 /nfs/dbraw/zinc/08/67/28/795086728.db2.gz GOGSGMIPSOMIPI-RTBURBONSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001093360953 795086734 /nfs/dbraw/zinc/08/67/34/795086734.db2.gz GOGSGMIPSOMIPI-RTBURBONSA-N 2 1 343.515 2.197 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncn1C)C2 ZINC001110053612 806461124 /nfs/dbraw/zinc/46/11/24/806461124.db2.gz OELSAFCGKMHTMS-MVJTYMMSSA-N 2 1 330.476 2.429 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC001094567575 796408706 /nfs/dbraw/zinc/40/87/06/796408706.db2.gz DTSWINCJKUNTLM-RLLQIKCJSA-N 2 1 331.504 2.409 20 30 EEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@]34CC[N@H+](C3)CCC4)CCC[C@@H]12 ZINC001094567575 796408708 /nfs/dbraw/zinc/40/87/08/796408708.db2.gz DTSWINCJKUNTLM-RLLQIKCJSA-N 2 1 331.504 2.409 20 30 EEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)CCC[C@@H]12 ZINC001094567575 796408709 /nfs/dbraw/zinc/40/87/09/796408709.db2.gz DTSWINCJKUNTLM-RLLQIKCJSA-N 2 1 331.504 2.409 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCC)CC3)CC1 ZINC001094582440 796423325 /nfs/dbraw/zinc/42/33/25/796423325.db2.gz OEGAHGDVZQISAD-TZIWHRDSSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001054059891 796994002 /nfs/dbraw/zinc/99/40/02/796994002.db2.gz AFFFTBSIETZTNL-MOPGFXCFSA-N 2 1 327.472 2.057 20 30 EEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262734 798060090 /nfs/dbraw/zinc/06/00/90/798060090.db2.gz LCTXVIFMIPSBNA-LPHOPBHVSA-N 2 1 339.499 2.487 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998185 798600570 /nfs/dbraw/zinc/60/05/70/798600570.db2.gz YXFAYEBKSBPORW-NZSAHSFTSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001177416237 798934009 /nfs/dbraw/zinc/93/40/09/798934009.db2.gz WZUMXGYMFPIFTJ-MJGOQNOKSA-N 2 1 333.520 2.206 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981727 799712149 /nfs/dbraw/zinc/71/21/49/799712149.db2.gz CQCQOGCEHRGKLP-VSZNYVQBSA-N 2 1 339.524 2.255 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981727 799712154 /nfs/dbraw/zinc/71/21/54/799712154.db2.gz CQCQOGCEHRGKLP-VSZNYVQBSA-N 2 1 339.524 2.255 20 30 EEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001003516096 799767404 /nfs/dbraw/zinc/76/74/04/799767404.db2.gz MSXDESXDDBHMLI-INIZCTEOSA-N 2 1 330.476 2.301 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001183758956 801724718 /nfs/dbraw/zinc/72/47/18/801724718.db2.gz BPWVBNLUBNAWSQ-MRXNPFEDSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230635 802168808 /nfs/dbraw/zinc/16/88/08/802168808.db2.gz OTSAJAKLVMUWPC-MSOLQXFVSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001004549380 802351097 /nfs/dbraw/zinc/35/10/97/802351097.db2.gz YOERFWNGTGKMAP-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004549380 802351103 /nfs/dbraw/zinc/35/11/03/802351103.db2.gz YOERFWNGTGKMAP-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004549380 802351112 /nfs/dbraw/zinc/35/11/12/802351112.db2.gz YOERFWNGTGKMAP-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185307576 802453355 /nfs/dbraw/zinc/45/33/55/802453355.db2.gz RAAWGYVHHCGZEH-WMZOPIPTSA-N 2 1 330.476 2.069 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001004619040 802496360 /nfs/dbraw/zinc/49/63/60/802496360.db2.gz JPKIYNGMKXWOLV-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004619040 802496365 /nfs/dbraw/zinc/49/63/65/802496365.db2.gz JPKIYNGMKXWOLV-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004619040 802496366 /nfs/dbraw/zinc/49/63/66/802496366.db2.gz JPKIYNGMKXWOLV-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004620874 802500203 /nfs/dbraw/zinc/50/02/03/802500203.db2.gz RZBYWWPQFXHLGT-LJQANCHMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662703 802723768 /nfs/dbraw/zinc/72/37/68/802723768.db2.gz JVKMYJJURRKLIY-HDICACEKSA-N 2 1 336.439 2.142 20 30 EEEDMP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000086500777 802793057 /nfs/dbraw/zinc/79/30/57/802793057.db2.gz GYYVRBNJXAGZBA-LBPRGKRZSA-N 2 1 335.521 2.342 20 30 EEEDMP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000086500777 802793059 /nfs/dbraw/zinc/79/30/59/802793059.db2.gz GYYVRBNJXAGZBA-LBPRGKRZSA-N 2 1 335.521 2.342 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001108283542 803158768 /nfs/dbraw/zinc/15/87/68/803158768.db2.gz GCSOEWSFXWPHSD-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001108283542 803158771 /nfs/dbraw/zinc/15/87/71/803158771.db2.gz GCSOEWSFXWPHSD-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001108283542 803158775 /nfs/dbraw/zinc/15/87/75/803158775.db2.gz GCSOEWSFXWPHSD-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001108283542 803158781 /nfs/dbraw/zinc/15/87/81/803158781.db2.gz GCSOEWSFXWPHSD-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001108421054 803506101 /nfs/dbraw/zinc/50/61/01/803506101.db2.gz GKJKXSDBIWQVCY-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421054 803506106 /nfs/dbraw/zinc/50/61/06/803506106.db2.gz GKJKXSDBIWQVCY-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421054 803506110 /nfs/dbraw/zinc/50/61/10/803506110.db2.gz GKJKXSDBIWQVCY-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156373908 804015043 /nfs/dbraw/zinc/01/50/43/804015043.db2.gz DOKJKKMVAFSGAO-QGZVFWFLSA-N 2 1 329.529 2.362 20 30 EEEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169989811 805180835 /nfs/dbraw/zinc/18/08/35/805180835.db2.gz CUYSSRURACLSDG-QZTJIDSGSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169989811 805180841 /nfs/dbraw/zinc/18/08/41/805180841.db2.gz CUYSSRURACLSDG-QZTJIDSGSA-N 2 1 339.524 2.328 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@H+](C)CCC)C1 ZINC001130446551 811653570 /nfs/dbraw/zinc/65/35/70/811653570.db2.gz NZLNWUBBVHPIFE-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)CCC)C1 ZINC001130446551 811653577 /nfs/dbraw/zinc/65/35/77/811653577.db2.gz NZLNWUBBVHPIFE-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)CCC)C1 ZINC001130446551 811653581 /nfs/dbraw/zinc/65/35/81/811653581.db2.gz NZLNWUBBVHPIFE-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001131464578 812865934 /nfs/dbraw/zinc/86/59/34/812865934.db2.gz WGCHHAYRWMAZBZ-QRVBRYPASA-N 2 1 349.519 2.033 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001437940575 1090534314 /nfs/dbraw/zinc/53/43/14/1090534314.db2.gz BDINDKGLVYTUPG-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001437940575 1090534319 /nfs/dbraw/zinc/53/43/19/1090534319.db2.gz BDINDKGLVYTUPG-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001437940575 1090534322 /nfs/dbraw/zinc/53/43/22/1090534322.db2.gz BDINDKGLVYTUPG-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001440599558 1093864301 /nfs/dbraw/zinc/86/43/01/1093864301.db2.gz PDBNCVQPHRGRGY-YOEHRIQHSA-N 2 1 348.516 2.288 20 30 EEEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000491697123 275383416 /nfs/dbraw/zinc/38/34/16/275383416.db2.gz PHNQCXQSSCISGD-UHFFFAOYSA-N 2 1 339.439 2.141 20 30 EEEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1C#N ZINC000136583216 463246562 /nfs/dbraw/zinc/24/65/62/463246562.db2.gz GHFPUZWNWSVLMA-RBUKOAKNSA-N 2 1 343.471 2.424 20 30 EEEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150767194 463423648 /nfs/dbraw/zinc/42/36/48/463423648.db2.gz MGQALCCIZJRSJA-AWEZNQCLSA-N 2 1 332.473 2.366 20 30 EEEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150767194 463423652 /nfs/dbraw/zinc/42/36/52/463423652.db2.gz MGQALCCIZJRSJA-AWEZNQCLSA-N 2 1 332.473 2.366 20 30 EEEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150834656 463437165 /nfs/dbraw/zinc/43/71/65/463437165.db2.gz XJOXBUAPWMEIOS-INIZCTEOSA-N 2 1 326.444 2.305 20 30 EEEDMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000162800022 463539654 /nfs/dbraw/zinc/53/96/54/463539654.db2.gz XYLRPKKMYXKSDF-GJZGRUSLSA-N 2 1 332.473 2.364 20 30 EEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000162800022 463539658 /nfs/dbraw/zinc/53/96/58/463539658.db2.gz XYLRPKKMYXKSDF-GJZGRUSLSA-N 2 1 332.473 2.364 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000162800022 463539660 /nfs/dbraw/zinc/53/96/60/463539660.db2.gz XYLRPKKMYXKSDF-GJZGRUSLSA-N 2 1 332.473 2.364 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000162800022 463539664 /nfs/dbraw/zinc/53/96/64/463539664.db2.gz XYLRPKKMYXKSDF-GJZGRUSLSA-N 2 1 332.473 2.364 20 30 EEEDMP Cc1c[nH+]ccc1OC1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000278512721 463968358 /nfs/dbraw/zinc/96/83/58/463968358.db2.gz BPIBOONYCPGUEQ-IBGZPJMESA-N 2 1 344.459 2.288 20 30 EEEDMP CCCCOc1ncccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000264075644 464279912 /nfs/dbraw/zinc/27/99/12/464279912.db2.gz FQVKTPVAISXNSM-MRXNPFEDSA-N 2 1 333.480 2.149 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000295047192 464688359 /nfs/dbraw/zinc/68/83/59/464688359.db2.gz PYEYKZDJWMXEOI-MRXNPFEDSA-N 2 1 334.460 2.326 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000295047192 464688362 /nfs/dbraw/zinc/68/83/62/464688362.db2.gz PYEYKZDJWMXEOI-MRXNPFEDSA-N 2 1 334.460 2.326 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000359218221 465387729 /nfs/dbraw/zinc/38/77/29/465387729.db2.gz DFJUPZCAVJOZQY-AEFFLSMTSA-N 2 1 334.508 2.221 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000381352695 467374289 /nfs/dbraw/zinc/37/42/89/467374289.db2.gz FGEIQIIRFVTRHZ-OAHLLOKOSA-N 2 1 325.250 2.027 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000381352695 467374293 /nfs/dbraw/zinc/37/42/93/467374293.db2.gz FGEIQIIRFVTRHZ-OAHLLOKOSA-N 2 1 325.250 2.027 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(CC#N)cc2)CC1 ZINC000533922928 468229163 /nfs/dbraw/zinc/22/91/63/468229163.db2.gz ZFESNJMYKFXZJF-UHFFFAOYSA-N 2 1 335.411 2.152 20 30 EEEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000595504377 468879390 /nfs/dbraw/zinc/87/93/90/468879390.db2.gz HUWRLUQBZWVDRP-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000595504377 468879395 /nfs/dbraw/zinc/87/93/95/468879395.db2.gz HUWRLUQBZWVDRP-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000595504377 468879401 /nfs/dbraw/zinc/87/94/01/468879401.db2.gz HUWRLUQBZWVDRP-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP N#Cc1ccc(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000601957102 469112150 /nfs/dbraw/zinc/11/21/50/469112150.db2.gz DYDYOXLYGSZDIE-OAQYLSRUSA-N 2 1 335.451 2.327 20 30 EEEDMP N#Cc1ccc(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000601957102 469112156 /nfs/dbraw/zinc/11/21/56/469112156.db2.gz DYDYOXLYGSZDIE-OAQYLSRUSA-N 2 1 335.451 2.327 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000730098968 576714802 /nfs/dbraw/zinc/71/48/02/576714802.db2.gz VBYFPFHSRJSZIZ-PMACEKPBSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000730098968 576714804 /nfs/dbraw/zinc/71/48/04/576714804.db2.gz VBYFPFHSRJSZIZ-PMACEKPBSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000730098968 576714806 /nfs/dbraw/zinc/71/48/06/576714806.db2.gz VBYFPFHSRJSZIZ-PMACEKPBSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000730098968 576714807 /nfs/dbraw/zinc/71/48/07/576714807.db2.gz VBYFPFHSRJSZIZ-PMACEKPBSA-N 2 1 339.483 2.112 20 30 EEEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000971717999 676757836 /nfs/dbraw/zinc/75/78/36/676757836.db2.gz AMESIMWWFWRGGA-KZNAEPCWSA-N 2 1 349.438 2.118 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC000971735844 676766866 /nfs/dbraw/zinc/76/68/66/676766866.db2.gz MMEHMCMHABPMEZ-PBHICJAKSA-N 2 1 348.516 2.239 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000972401503 678686187 /nfs/dbraw/zinc/68/61/87/678686187.db2.gz CBXWLRJUKVYCKT-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000972401503 678686189 /nfs/dbraw/zinc/68/61/89/678686189.db2.gz CBXWLRJUKVYCKT-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000972401503 678686192 /nfs/dbraw/zinc/68/61/92/678686192.db2.gz CBXWLRJUKVYCKT-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP CC[NH+]=C(NCC1(C)CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261747354 681934926 /nfs/dbraw/zinc/93/49/26/681934926.db2.gz NCGBJSHZRVCNGG-QGZVFWFLSA-N 2 1 336.524 2.186 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754986 682101909 /nfs/dbraw/zinc/10/19/09/682101909.db2.gz DPAGOBKOAXHNEK-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028754986 682101913 /nfs/dbraw/zinc/10/19/13/682101913.db2.gz DPAGOBKOAXHNEK-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028754986 682101918 /nfs/dbraw/zinc/10/19/18/682101918.db2.gz DPAGOBKOAXHNEK-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301262 682414369 /nfs/dbraw/zinc/41/43/69/682414369.db2.gz IMXFPTDSVKLDHO-MOPGFXCFSA-N 2 1 331.504 2.341 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492778 682918613 /nfs/dbraw/zinc/91/86/13/682918613.db2.gz FBWOZNLWVOUUCV-IEBWSBKVSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801455 683966258 /nfs/dbraw/zinc/96/62/58/683966258.db2.gz NGQQNAYCVRSGEA-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]12 ZINC001026401048 684568177 /nfs/dbraw/zinc/56/81/77/684568177.db2.gz UBWQIKXXIGGGRZ-MGPQQGTHSA-N 2 1 336.867 2.266 20 30 EEEDMP C[NH+]=C(NCCC1=CCCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179088270 686893898 /nfs/dbraw/zinc/89/38/98/686893898.db2.gz WDJCDXZBRMQGDS-SFHVURJKSA-N 2 1 334.508 2.106 20 30 EEEDMP CC[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CCC2(C1)CCOCC2 ZINC000262764409 688387702 /nfs/dbraw/zinc/38/77/02/688387702.db2.gz FKZYYNXSECPWCD-UHFFFAOYSA-N 2 1 336.524 2.329 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040233293 691648117 /nfs/dbraw/zinc/64/81/17/691648117.db2.gz YGHVNFKAKXPQJY-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233293 691648119 /nfs/dbraw/zinc/64/81/19/691648119.db2.gz YGHVNFKAKXPQJY-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040233293 691648120 /nfs/dbraw/zinc/64/81/20/691648120.db2.gz YGHVNFKAKXPQJY-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978144970 693331608 /nfs/dbraw/zinc/33/16/08/693331608.db2.gz NPQVWXGMPCQQRG-OWYHZJEWSA-N 2 1 331.504 2.121 20 30 EEEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978144970 693331614 /nfs/dbraw/zinc/33/16/14/693331614.db2.gz NPQVWXGMPCQQRG-OWYHZJEWSA-N 2 1 331.504 2.121 20 30 EEEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978144970 693331620 /nfs/dbraw/zinc/33/16/20/693331620.db2.gz NPQVWXGMPCQQRG-OWYHZJEWSA-N 2 1 331.504 2.121 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947909231 1192501107 /nfs/dbraw/zinc/50/11/07/1192501107.db2.gz YGSUHHNTHCEBGA-QFBILLFUSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943756884 1192536153 /nfs/dbraw/zinc/53/61/53/1192536153.db2.gz XGJBVDCUQKAVCB-ZBFHGGJFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943756884 1192536156 /nfs/dbraw/zinc/53/61/56/1192536156.db2.gz XGJBVDCUQKAVCB-ZBFHGGJFSA-N 2 1 327.900 2.297 20 30 EEEDMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001486178761 1193716329 /nfs/dbraw/zinc/71/63/29/1193716329.db2.gz DWODVYZEAOROSD-WMLDXEAASA-N 2 1 348.516 2.431 20 30 EEEDMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001486178761 1193716330 /nfs/dbraw/zinc/71/63/30/1193716330.db2.gz DWODVYZEAOROSD-WMLDXEAASA-N 2 1 348.516 2.431 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001482330578 1185414471 /nfs/dbraw/zinc/41/44/71/1185414471.db2.gz KIDTVVASXPWKQB-CYBMUJFWSA-N 2 1 348.329 2.309 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(=C)C)C[C@@H]2C)CC1 ZINC000945177590 1193413831 /nfs/dbraw/zinc/41/38/31/1193413831.db2.gz BKFOCKMKKHRLNE-HKUYNNGSSA-N 2 1 331.504 2.124 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112193391 1186716986 /nfs/dbraw/zinc/71/69/86/1186716986.db2.gz YCHUAFCLXBEFCH-RBSFLKMASA-N 2 1 347.425 2.273 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105517399 1188134634 /nfs/dbraw/zinc/13/46/34/1188134634.db2.gz BNYCNWGURYYHLO-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273039350 1194343855 /nfs/dbraw/zinc/34/38/55/1194343855.db2.gz OWVMAWBPAVEJHW-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818019 1194440877 /nfs/dbraw/zinc/44/08/77/1194440877.db2.gz ALYBXPBUGGNMJF-ZGXWSNOMSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818019 1194440879 /nfs/dbraw/zinc/44/08/79/1194440879.db2.gz ALYBXPBUGGNMJF-ZGXWSNOMSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818019 1194440883 /nfs/dbraw/zinc/44/08/83/1194440883.db2.gz ALYBXPBUGGNMJF-ZGXWSNOMSA-N 2 1 343.515 2.197 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001033934998 1195543991 /nfs/dbraw/zinc/54/39/91/1195543991.db2.gz BAHGIZVDTDJLAQ-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033934998 1195543996 /nfs/dbraw/zinc/54/39/96/1195543996.db2.gz BAHGIZVDTDJLAQ-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033934998 1195543998 /nfs/dbraw/zinc/54/39/98/1195543998.db2.gz BAHGIZVDTDJLAQ-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC[C@@H](C)F)C2)CC1 ZINC001034045497 1195697298 /nfs/dbraw/zinc/69/72/98/1195697298.db2.gz JWYSRSCRSAFKDT-SJLPKXTDSA-N 2 1 337.483 2.003 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034396319 1196186726 /nfs/dbraw/zinc/18/67/26/1196186726.db2.gz DUSXRCHNWPRIQK-QFBILLFUSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034396319 1196186728 /nfs/dbraw/zinc/18/67/28/1196186728.db2.gz DUSXRCHNWPRIQK-QFBILLFUSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034396319 1196186731 /nfs/dbraw/zinc/18/67/31/1196186731.db2.gz DUSXRCHNWPRIQK-QFBILLFUSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132203047 1199447248 /nfs/dbraw/zinc/44/72/48/1199447248.db2.gz NHUIVLZZWGDTQO-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132311803 1199563122 /nfs/dbraw/zinc/56/31/22/1199563122.db2.gz YJOLWTJHZULLBN-PKOBYXMFSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132311803 1199563125 /nfs/dbraw/zinc/56/31/25/1199563125.db2.gz YJOLWTJHZULLBN-PKOBYXMFSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132311803 1199563129 /nfs/dbraw/zinc/56/31/29/1199563129.db2.gz YJOLWTJHZULLBN-PKOBYXMFSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132311803 1199563132 /nfs/dbraw/zinc/56/31/32/1199563132.db2.gz YJOLWTJHZULLBN-PKOBYXMFSA-N 2 1 329.488 2.316 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132441472 1199726722 /nfs/dbraw/zinc/72/67/22/1199726722.db2.gz PRSMLBPWXLDEDI-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132441472 1199726725 /nfs/dbraw/zinc/72/67/25/1199726725.db2.gz PRSMLBPWXLDEDI-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132441472 1199726731 /nfs/dbraw/zinc/72/67/31/1199726731.db2.gz PRSMLBPWXLDEDI-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018314411 1224598869 /nfs/dbraw/zinc/59/88/69/1224598869.db2.gz UHVFRQIIOAMZGY-OTWHNJEPSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018314411 1224598873 /nfs/dbraw/zinc/59/88/73/1224598873.db2.gz UHVFRQIIOAMZGY-OTWHNJEPSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133142275 1200495954 /nfs/dbraw/zinc/49/59/54/1200495954.db2.gz NDGHJPMXLIONJQ-SJORKVTESA-N 2 1 330.476 2.104 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133145952 1200519683 /nfs/dbraw/zinc/51/96/83/1200519683.db2.gz FSZJXBTUQYCKCX-DLBZAZTESA-N 2 1 330.476 2.104 20 30 EEEDMP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001133410554 1200880190 /nfs/dbraw/zinc/88/01/90/1200880190.db2.gz NCCANKWPBJGRQN-INIZCTEOSA-N 2 1 335.879 2.396 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCOCC1 ZINC000104173717 1204612585 /nfs/dbraw/zinc/61/25/85/1204612585.db2.gz HIBMOBQNZQNXOW-GOSISDBHSA-N 2 1 344.503 2.123 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](CCc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001274920784 1205210562 /nfs/dbraw/zinc/21/05/62/1205210562.db2.gz ORYYJVISXZTMNH-OYRHEFFESA-N 2 1 340.515 2.306 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](CCc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001274920784 1205210565 /nfs/dbraw/zinc/21/05/65/1205210565.db2.gz ORYYJVISXZTMNH-OYRHEFFESA-N 2 1 340.515 2.306 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](CCc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001274920784 1205210567 /nfs/dbraw/zinc/21/05/67/1205210567.db2.gz ORYYJVISXZTMNH-OYRHEFFESA-N 2 1 340.515 2.306 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](CCc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001274920784 1205210570 /nfs/dbraw/zinc/21/05/70/1205210570.db2.gz ORYYJVISXZTMNH-OYRHEFFESA-N 2 1 340.515 2.306 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](CCc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001274920784 1205210573 /nfs/dbraw/zinc/21/05/73/1205210573.db2.gz ORYYJVISXZTMNH-OYRHEFFESA-N 2 1 340.515 2.306 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)ccc3C#N)C[C@H]2CC1 ZINC001275597372 1205436854 /nfs/dbraw/zinc/43/68/54/1205436854.db2.gz LDAZMZMGFPPKQK-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2CC1 ZINC001275597372 1205436856 /nfs/dbraw/zinc/43/68/56/1205436856.db2.gz LDAZMZMGFPPKQK-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2CC1 ZINC001275597372 1205436857 /nfs/dbraw/zinc/43/68/57/1205436857.db2.gz LDAZMZMGFPPKQK-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2CC1 ZINC001275597372 1205436859 /nfs/dbraw/zinc/43/68/59/1205436859.db2.gz LDAZMZMGFPPKQK-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2CC1 ZINC001275597372 1205436861 /nfs/dbraw/zinc/43/68/61/1205436861.db2.gz LDAZMZMGFPPKQK-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947568097 1208624102 /nfs/dbraw/zinc/62/41/02/1208624102.db2.gz JDEBINRDLFFPJL-PKOBYXMFSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000948432444 1209135221 /nfs/dbraw/zinc/13/52/21/1209135221.db2.gz GWYITFHVAICDHP-PKOBYXMFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000948432444 1209135223 /nfs/dbraw/zinc/13/52/23/1209135223.db2.gz GWYITFHVAICDHP-PKOBYXMFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000948432444 1209135225 /nfs/dbraw/zinc/13/52/25/1209135225.db2.gz GWYITFHVAICDHP-PKOBYXMFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948778992 1209371093 /nfs/dbraw/zinc/37/10/93/1209371093.db2.gz HKVFINDSKRAPTC-ZBFHGGJFSA-N 2 1 327.900 2.394 20 30 EEEDMP CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+]1CCCC1 ZINC001015499911 1225337456 /nfs/dbraw/zinc/33/74/56/1225337456.db2.gz RUOFVHKLFOVTEC-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+]1CCCC1 ZINC001015499911 1225337460 /nfs/dbraw/zinc/33/74/60/1225337460.db2.gz RUOFVHKLFOVTEC-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)CC2CC2)CC1 ZINC000957720408 1215378166 /nfs/dbraw/zinc/37/81/66/1215378166.db2.gz KEHUHOAUNUASLB-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)CC2CC2)CC1 ZINC000957720408 1215378168 /nfs/dbraw/zinc/37/81/68/1215378168.db2.gz KEHUHOAUNUASLB-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC2CC2)CC1 ZINC000957720408 1215378172 /nfs/dbraw/zinc/37/81/72/1215378172.db2.gz KEHUHOAUNUASLB-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC2CC2)CC1 ZINC000957720408 1215378176 /nfs/dbraw/zinc/37/81/76/1215378176.db2.gz KEHUHOAUNUASLB-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(F)cc1Cl ZINC000304758920 1216103159 /nfs/dbraw/zinc/10/31/59/1216103159.db2.gz QPIGVSJZDXCORV-AWEZNQCLSA-N 2 1 326.847 2.410 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC000960716600 1216828289 /nfs/dbraw/zinc/82/82/89/1216828289.db2.gz JIKUHUHCDPBIRQ-RTBURBONSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC000960716600 1216828294 /nfs/dbraw/zinc/82/82/94/1216828294.db2.gz JIKUHUHCDPBIRQ-RTBURBONSA-N 2 1 342.487 2.321 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961342225 1217150229 /nfs/dbraw/zinc/15/02/29/1217150229.db2.gz QHFFZURGNMHURB-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961342225 1217150230 /nfs/dbraw/zinc/15/02/30/1217150230.db2.gz QHFFZURGNMHURB-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961342225 1217150231 /nfs/dbraw/zinc/15/02/31/1217150231.db2.gz QHFFZURGNMHURB-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000963320474 1217513859 /nfs/dbraw/zinc/51/38/59/1217513859.db2.gz BXDIMODCXBTGNI-CRAIPNDOSA-N 2 1 346.475 2.239 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000963320474 1217513864 /nfs/dbraw/zinc/51/38/64/1217513864.db2.gz BXDIMODCXBTGNI-CRAIPNDOSA-N 2 1 346.475 2.239 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386786 1217584280 /nfs/dbraw/zinc/58/42/80/1217584280.db2.gz RDKHHEZLCDRWRC-CVEARBPZSA-N 2 1 328.460 2.024 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386786 1217584286 /nfs/dbraw/zinc/58/42/86/1217584286.db2.gz RDKHHEZLCDRWRC-CVEARBPZSA-N 2 1 328.460 2.024 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390962 1217588141 /nfs/dbraw/zinc/58/81/41/1217588141.db2.gz PLGCKMJFWOXXKF-SJLPKXTDSA-N 2 1 340.471 2.097 20 30 EEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC000965062273 1218866556 /nfs/dbraw/zinc/86/65/56/1218866556.db2.gz HSUSLQPKFIWYRE-BCOZGUIHSA-N 2 1 337.483 2.402 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419414 1221289614 /nfs/dbraw/zinc/28/96/14/1221289614.db2.gz ULWUJRFGNCBEIW-APWZRJJASA-N 2 1 327.472 2.212 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674457 1221482786 /nfs/dbraw/zinc/48/27/86/1221482786.db2.gz QZAAQJCNCASOKI-VQIMIIECSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674456 1221482880 /nfs/dbraw/zinc/48/28/80/1221482880.db2.gz QZAAQJCNCASOKI-QFBILLFUSA-N 2 1 327.472 2.212 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000968861226 1221629816 /nfs/dbraw/zinc/62/98/16/1221629816.db2.gz KEUOVWPNEHISKH-MAUKXSAKSA-N 2 1 345.491 2.337 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000968955029 1221699912 /nfs/dbraw/zinc/69/99/12/1221699912.db2.gz ZUXBWSBAVHYDMG-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000968955029 1221699915 /nfs/dbraw/zinc/69/99/15/1221699915.db2.gz ZUXBWSBAVHYDMG-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000968966763 1221705296 /nfs/dbraw/zinc/70/52/96/1221705296.db2.gz AXVRMGCLISVYFL-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024130 1221748439 /nfs/dbraw/zinc/74/84/39/1221748439.db2.gz ZGPHUUUPWAXVDJ-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024130 1221748443 /nfs/dbraw/zinc/74/84/43/1221748443.db2.gz ZGPHUUUPWAXVDJ-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008505481 1222893632 /nfs/dbraw/zinc/89/36/32/1222893632.db2.gz AFXDNQNDJWAKGJ-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008505481 1222893634 /nfs/dbraw/zinc/89/36/34/1222893634.db2.gz AFXDNQNDJWAKGJ-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008505481 1222893637 /nfs/dbraw/zinc/89/36/37/1222893637.db2.gz AFXDNQNDJWAKGJ-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001018938543 1228552168 /nfs/dbraw/zinc/55/21/68/1228552168.db2.gz SAZMROCGCJVBCO-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001018986357 1228608043 /nfs/dbraw/zinc/60/80/43/1228608043.db2.gz ZRPYZRHFMHGSKY-PMACEKPBSA-N 2 1 339.483 2.037 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001018986357 1228608048 /nfs/dbraw/zinc/60/80/48/1228608048.db2.gz ZRPYZRHFMHGSKY-PMACEKPBSA-N 2 1 339.483 2.037 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139215 1230353598 /nfs/dbraw/zinc/35/35/98/1230353598.db2.gz FRMGWRRJFDPRTG-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039139215 1230353601 /nfs/dbraw/zinc/35/36/01/1230353601.db2.gz FRMGWRRJFDPRTG-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039139215 1230353603 /nfs/dbraw/zinc/35/36/03/1230353603.db2.gz FRMGWRRJFDPRTG-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167487 1230390696 /nfs/dbraw/zinc/39/06/96/1230390696.db2.gz VQONTILYJGKPIB-HXUWFJFHSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039242477 1230477429 /nfs/dbraw/zinc/47/74/29/1230477429.db2.gz OXBVGBFUHJTOKY-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039242477 1230477430 /nfs/dbraw/zinc/47/74/30/1230477430.db2.gz OXBVGBFUHJTOKY-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2ccnc2)C1 ZINC001039254472 1230490185 /nfs/dbraw/zinc/49/01/85/1230490185.db2.gz VPNARXVCZOPJFG-HOTGVXAUSA-N 2 1 336.867 2.339 20 30 EEEDMP C=C(Cl)CN1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2ccnc2)C1 ZINC001039254472 1230490188 /nfs/dbraw/zinc/49/01/88/1230490188.db2.gz VPNARXVCZOPJFG-HOTGVXAUSA-N 2 1 336.867 2.339 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039255610 1230491179 /nfs/dbraw/zinc/49/11/79/1230491179.db2.gz DFEOSGSETXJVBF-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040200908 1231097489 /nfs/dbraw/zinc/09/74/89/1231097489.db2.gz JHRKOIRJABWEQR-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040200908 1231097492 /nfs/dbraw/zinc/09/74/92/1231097492.db2.gz JHRKOIRJABWEQR-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040200908 1231097496 /nfs/dbraw/zinc/09/74/96/1231097496.db2.gz JHRKOIRJABWEQR-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3cncn3C)C2)C1 ZINC001040512555 1231271068 /nfs/dbraw/zinc/27/10/68/1231271068.db2.gz IKPNWGQKKLVDHZ-LJQANCHMSA-N 2 1 330.476 2.243 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)CC1 ZINC001040874074 1231392672 /nfs/dbraw/zinc/39/26/72/1231392672.db2.gz BEBZBJMLBSQLRK-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041743483 1231671624 /nfs/dbraw/zinc/67/16/24/1231671624.db2.gz LMLUVKLXTRZZRA-FQEVSTJZSA-N 2 1 327.472 2.472 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C/C=C\Cl)C3)C2)CC1 ZINC001041844557 1231728060 /nfs/dbraw/zinc/72/80/60/1231728060.db2.gz KZWFFBCNYZRATF-LBESIHQVSA-N 2 1 349.906 2.009 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042317102 1232024755 /nfs/dbraw/zinc/02/47/55/1232024755.db2.gz WDZPSLVALGWIOQ-QAPCUYQASA-N 2 1 328.460 2.260 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042317102 1232024757 /nfs/dbraw/zinc/02/47/57/1232024757.db2.gz WDZPSLVALGWIOQ-QAPCUYQASA-N 2 1 328.460 2.260 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042365008 1232047792 /nfs/dbraw/zinc/04/77/92/1232047792.db2.gz ICOOADUQSUKFOI-AZUAARDMSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC(=C)C)CC1 ZINC001045896222 1234128134 /nfs/dbraw/zinc/12/81/34/1234128134.db2.gz YMARKTULCPDVQY-UXHICEINSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943527 1234202282 /nfs/dbraw/zinc/20/22/82/1234202282.db2.gz KGYONYOKEYXGFG-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046471457 1234840207 /nfs/dbraw/zinc/84/02/07/1234840207.db2.gz ZHAMTIKVYYPIAB-SFHVURJKSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046937294 1235328061 /nfs/dbraw/zinc/32/80/61/1235328061.db2.gz HRAYQICZMRRYBK-LSDHHAIUSA-N 2 1 329.435 2.119 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046937294 1235328066 /nfs/dbraw/zinc/32/80/66/1235328066.db2.gz HRAYQICZMRRYBK-LSDHHAIUSA-N 2 1 329.435 2.119 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047244542 1235736014 /nfs/dbraw/zinc/73/60/14/1235736014.db2.gz SISYYHSBGUWVAX-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096175292 1235791388 /nfs/dbraw/zinc/79/13/88/1235791388.db2.gz GXWGVCHNHAZDFB-QYZOEREBSA-N 2 1 325.456 2.107 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000259308 1240108963 /nfs/dbraw/zinc/10/89/63/1240108963.db2.gz HAMHAIXOLCPASL-BBRMVZONSA-N 2 1 339.911 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000259308 1240108968 /nfs/dbraw/zinc/10/89/68/1240108968.db2.gz HAMHAIXOLCPASL-BBRMVZONSA-N 2 1 339.911 2.297 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)CC1 ZINC001000290757 1240136437 /nfs/dbraw/zinc/13/64/37/1240136437.db2.gz WDCHEOWEFSUCDH-OALUTQOASA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)C ZINC001049530001 1241262835 /nfs/dbraw/zinc/26/28/35/1241262835.db2.gz UZHMSZKEVLBUIF-OTWHNJEPSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)C ZINC001049530001 1241262847 /nfs/dbraw/zinc/26/28/47/1241262847.db2.gz UZHMSZKEVLBUIF-OTWHNJEPSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)C ZINC001049530001 1241262858 /nfs/dbraw/zinc/26/28/58/1241262858.db2.gz UZHMSZKEVLBUIF-OTWHNJEPSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)C ZINC001049530001 1241262865 /nfs/dbraw/zinc/26/28/65/1241262865.db2.gz UZHMSZKEVLBUIF-OTWHNJEPSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049529494 1241262964 /nfs/dbraw/zinc/26/29/64/1241262964.db2.gz OAXPIIWERSIACX-AQNXPRMDSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049529494 1241262969 /nfs/dbraw/zinc/26/29/69/1241262969.db2.gz OAXPIIWERSIACX-AQNXPRMDSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001049529494 1241262976 /nfs/dbraw/zinc/26/29/76/1241262976.db2.gz OAXPIIWERSIACX-AQNXPRMDSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC001049529494 1241262984 /nfs/dbraw/zinc/26/29/84/1241262984.db2.gz OAXPIIWERSIACX-AQNXPRMDSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001001145533 1241724339 /nfs/dbraw/zinc/72/43/39/1241724339.db2.gz SYZBASIWEBUYAR-UHFFFAOYSA-N 2 1 339.483 2.176 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC[C@@H](C)F)CC1 ZINC001049909451 1242657425 /nfs/dbraw/zinc/65/74/25/1242657425.db2.gz BGNQRWSOINMKQF-QRQLOZEOSA-N 2 1 349.494 2.145 20 30 EEEDMP O=C(Cn1ccnc1)N1CCC[C@H]2[C@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001049934489 1242776834 /nfs/dbraw/zinc/77/68/34/1242776834.db2.gz XAGWNKGFANWLBC-VQTJNVASSA-N 2 1 348.450 2.000 20 30 EEEDMP O=C(Cn1ccnc1)N1CCC[C@H]2[C@H]1CCN2CC#Cc1ccccc1 ZINC001049934489 1242776847 /nfs/dbraw/zinc/77/68/47/1242776847.db2.gz XAGWNKGFANWLBC-VQTJNVASSA-N 2 1 348.450 2.000 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)CC1 ZINC001050663610 1244075118 /nfs/dbraw/zinc/07/51/18/1244075118.db2.gz WAMWOSAXNTXDIO-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)CC2)CC1 ZINC001052953754 1245544883 /nfs/dbraw/zinc/54/48/83/1245544883.db2.gz HEKMYRCKXCXTFI-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050050 1245768209 /nfs/dbraw/zinc/76/82/09/1245768209.db2.gz BKEZMHQPZDNVKJ-RTBURBONSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)CO2 ZINC001053971490 1247084394 /nfs/dbraw/zinc/08/43/94/1247084394.db2.gz LTPDMGKANWASFX-GOSISDBHSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145845 1247519178 /nfs/dbraw/zinc/51/91/78/1247519178.db2.gz YTIBVWJCESZKGA-PXNSSMCTSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145845 1247519185 /nfs/dbraw/zinc/51/91/85/1247519185.db2.gz YTIBVWJCESZKGA-PXNSSMCTSA-N 2 1 340.471 2.098 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052654078 1247782393 /nfs/dbraw/zinc/78/23/93/1247782393.db2.gz UNTJZUNDZPFCKE-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052654078 1247782410 /nfs/dbraw/zinc/78/24/10/1247782410.db2.gz UNTJZUNDZPFCKE-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052654078 1247782415 /nfs/dbraw/zinc/78/24/15/1247782415.db2.gz UNTJZUNDZPFCKE-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052654078 1247782427 /nfs/dbraw/zinc/78/24/27/1247782427.db2.gz UNTJZUNDZPFCKE-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)cc2C1 ZINC001054265924 1247935952 /nfs/dbraw/zinc/93/59/52/1247935952.db2.gz CLGKTWKKRDBMIS-VQTJNVASSA-N 2 1 339.483 2.372 20 30 EEEDMP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)cc2C1 ZINC001054265924 1247935970 /nfs/dbraw/zinc/93/59/70/1247935970.db2.gz CLGKTWKKRDBMIS-VQTJNVASSA-N 2 1 339.483 2.372 20 30 EEEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)cc2C1 ZINC001054265924 1247935985 /nfs/dbraw/zinc/93/59/85/1247935985.db2.gz CLGKTWKKRDBMIS-VQTJNVASSA-N 2 1 339.483 2.372 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099519183 1258187958 /nfs/dbraw/zinc/18/79/58/1258187958.db2.gz FYKMNFSJKGXJTJ-FJIDUMEYSA-N 2 1 331.504 2.073 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001099554454 1258203938 /nfs/dbraw/zinc/20/39/38/1258203938.db2.gz YZTYVGVOIUGDEG-RDGPPVDQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001099554454 1258203946 /nfs/dbraw/zinc/20/39/46/1258203946.db2.gz YZTYVGVOIUGDEG-RDGPPVDQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099583392 1258227261 /nfs/dbraw/zinc/22/72/61/1258227261.db2.gz QDIARDOLUMOYMT-QGZVFWFLSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099583392 1258227265 /nfs/dbraw/zinc/22/72/65/1258227265.db2.gz QDIARDOLUMOYMT-QGZVFWFLSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099583392 1258227268 /nfs/dbraw/zinc/22/72/68/1258227268.db2.gz QDIARDOLUMOYMT-QGZVFWFLSA-N 2 1 349.519 2.034 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001192385388 1281960556 /nfs/dbraw/zinc/96/05/56/1281960556.db2.gz GXJAVUHJEVRELH-MOPGFXCFSA-N 2 1 345.462 2.050 20 30 EEEDMP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193289816 1282424829 /nfs/dbraw/zinc/42/48/29/1282424829.db2.gz AAFRZSIPNXELTH-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193289816 1282424834 /nfs/dbraw/zinc/42/48/34/1282424834.db2.gz AAFRZSIPNXELTH-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193289816 1282424837 /nfs/dbraw/zinc/42/48/37/1282424837.db2.gz AAFRZSIPNXELTH-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193289816 1282424843 /nfs/dbraw/zinc/42/48/43/1282424843.db2.gz AAFRZSIPNXELTH-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP C#Cc1cccc(C[N@@H+]2CCC[C@@]23CCN(Cc2cncn2C)C3=O)c1 ZINC001276715494 1296643644 /nfs/dbraw/zinc/64/36/44/1296643644.db2.gz DAIPWGOEQCQSJV-NRFANRHFSA-N 2 1 348.450 2.169 20 30 EEEDMP C#Cc1cccc(CN2CCC[C@@]23CCN(Cc2cncn2C)C3=O)c1 ZINC001276715494 1296643657 /nfs/dbraw/zinc/64/36/57/1296643657.db2.gz DAIPWGOEQCQSJV-NRFANRHFSA-N 2 1 348.450 2.169 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001224745993 1300722982 /nfs/dbraw/zinc/72/29/82/1300722982.db2.gz KZNHNVAIZWFBMM-UHFFFAOYSA-N 2 1 330.476 2.248 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227211625 1301734433 /nfs/dbraw/zinc/73/44/33/1301734433.db2.gz IFGFJDYKAHWWNB-HZPDHXFCSA-N 2 1 334.464 2.333 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001230274907 1303135791 /nfs/dbraw/zinc/13/57/91/1303135791.db2.gz SHHIINMVHAIEMG-KZNAEPCWSA-N 2 1 337.508 2.080 20 30 EEEDMP C=C(C)CC[N@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835397 1303489507 /nfs/dbraw/zinc/48/95/07/1303489507.db2.gz DIHMFSPPUHYTSM-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=CCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001277788526 1304497482 /nfs/dbraw/zinc/49/74/82/1304497482.db2.gz KICBFRBPCSHVTB-VQIMIIECSA-N 2 1 345.491 2.061 20 30 EEEDMP N#CC1(NC(=O)[C@H]2CCC[C@@]23CC[N@@H+](CC2CC[NH2+]CC2)C3)CCC1 ZINC001277821086 1304660036 /nfs/dbraw/zinc/66/00/36/1304660036.db2.gz CRXJKVBYFKLLKC-MJGOQNOKSA-N 2 1 344.503 2.041 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2[C@H]3C[N@H+](CC/C=C/CCC)C[C@@H]23)CC1 ZINC001115289856 1304907486 /nfs/dbraw/zinc/90/74/86/1304907486.db2.gz IIMKGTKGVXLYJM-XIVKTCCCSA-N 2 1 343.515 2.124 20 30 EEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546403 1305319007 /nfs/dbraw/zinc/31/90/07/1305319007.db2.gz KKINLFMBHNPFMZ-ROUUACIJSA-N 2 1 349.519 2.225 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(=C)C)CCCCC1 ZINC001115578024 1305412185 /nfs/dbraw/zinc/41/21/85/1305412185.db2.gz VHYYGKRMNQCQJY-SFHVURJKSA-N 2 1 331.504 2.459 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(=C)C)CCCCC1 ZINC001115578024 1305412197 /nfs/dbraw/zinc/41/21/97/1305412197.db2.gz VHYYGKRMNQCQJY-SFHVURJKSA-N 2 1 331.504 2.459 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)CCC=C)C2 ZINC001121251740 1309958814 /nfs/dbraw/zinc/95/88/14/1309958814.db2.gz VNYPRVSYPIDPSV-CGAYHSHTSA-N 2 1 343.515 2.456 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)CCC=C)C2 ZINC001121251740 1309958818 /nfs/dbraw/zinc/95/88/18/1309958818.db2.gz VNYPRVSYPIDPSV-CGAYHSHTSA-N 2 1 343.515 2.456 20 30 EEEDMP N#C[C@@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CCN1 ZINC001246942430 1310473668 /nfs/dbraw/zinc/47/36/68/1310473668.db2.gz LIILQRAIDPFIEA-RBUKOAKNSA-N 2 1 330.451 2.271 20 30 EEEDMP CC(C)C#CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000829778135 1314514418 /nfs/dbraw/zinc/51/44/18/1314514418.db2.gz DXAHILFQGJOGLO-UHFFFAOYSA-N 2 1 333.520 2.301 20 30 EEEDMP N#Cc1cccc2c(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c[nH]c21 ZINC001139706220 1314762452 /nfs/dbraw/zinc/76/24/52/1314762452.db2.gz PAQWEKTWRXEYOU-UHFFFAOYSA-N 2 1 337.471 2.253 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149707039 1316020229 /nfs/dbraw/zinc/02/02/29/1316020229.db2.gz BUIQAFPJWROGTJ-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149707039 1316020232 /nfs/dbraw/zinc/02/02/32/1316020232.db2.gz BUIQAFPJWROGTJ-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149707039 1316020235 /nfs/dbraw/zinc/02/02/35/1316020235.db2.gz BUIQAFPJWROGTJ-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001149974584 1316111771 /nfs/dbraw/zinc/11/17/71/1316111771.db2.gz NVMULJNYRXTIKN-SFHVURJKSA-N 2 1 342.443 2.121 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761381 1316367015 /nfs/dbraw/zinc/36/70/15/1316367015.db2.gz NGIFLJJPINIOMV-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP CC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904027 1317377599 /nfs/dbraw/zinc/37/75/99/1317377599.db2.gz LQAWSMYXJHLHJP-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904027 1317377609 /nfs/dbraw/zinc/37/76/09/1317377609.db2.gz LQAWSMYXJHLHJP-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3[C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254663002 1318159461 /nfs/dbraw/zinc/15/94/61/1318159461.db2.gz NJKWNCHYPNSSHN-FCGDIQPGSA-N 2 1 344.503 2.086 20 30 EEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001158474317 1319257962 /nfs/dbraw/zinc/25/79/62/1319257962.db2.gz XKFDEIZCFFSAJQ-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001158474317 1319257971 /nfs/dbraw/zinc/25/79/71/1319257971.db2.gz XKFDEIZCFFSAJQ-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001160386170 1320151844 /nfs/dbraw/zinc/15/18/44/1320151844.db2.gz KVCMDGNFSHNPHU-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001160386170 1320151847 /nfs/dbraw/zinc/15/18/47/1320151847.db2.gz KVCMDGNFSHNPHU-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160386170 1320151852 /nfs/dbraw/zinc/15/18/52/1320151852.db2.gz KVCMDGNFSHNPHU-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160386170 1320151855 /nfs/dbraw/zinc/15/18/55/1320151855.db2.gz KVCMDGNFSHNPHU-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161472169 1320511475 /nfs/dbraw/zinc/51/14/75/1320511475.db2.gz ORCWAIRXKOQPOF-UHFFFAOYSA-N 2 1 325.456 2.133 20 30 EEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879878 1320659598 /nfs/dbraw/zinc/65/95/98/1320659598.db2.gz XYAJNUZCBMVRLH-GOSISDBHSA-N 2 1 349.519 2.059 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001164450137 1321382353 /nfs/dbraw/zinc/38/23/53/1321382353.db2.gz YQKPWACTDCHNSE-FQEVSTJZSA-N 2 1 341.499 2.256 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485485 1321533614 /nfs/dbraw/zinc/53/36/14/1321533614.db2.gz XIUAEFJJAIRNOI-AWEZNQCLSA-N 2 1 336.867 2.389 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420046 1323123433 /nfs/dbraw/zinc/12/34/33/1323123433.db2.gz AZAFKODCZUXUHF-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CC[N@H+](CC1CC1)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001325513844 1333901637 /nfs/dbraw/zinc/90/16/37/1333901637.db2.gz WKGYVICGEUENJQ-PXNSSMCTSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+](CC1CC1)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001325513844 1333901641 /nfs/dbraw/zinc/90/16/41/1333901641.db2.gz WKGYVICGEUENJQ-PXNSSMCTSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+](CC1CC1)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325513844 1333901643 /nfs/dbraw/zinc/90/16/43/1333901643.db2.gz WKGYVICGEUENJQ-PXNSSMCTSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+](CC1CC1)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001325513844 1333901645 /nfs/dbraw/zinc/90/16/45/1333901645.db2.gz WKGYVICGEUENJQ-PXNSSMCTSA-N 2 1 339.483 2.111 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001100674028 1338627763 /nfs/dbraw/zinc/62/77/63/1338627763.db2.gz JQIWGJAXGCWWRH-VNCLNFNDSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202148467 1368881490 /nfs/dbraw/zinc/88/14/90/1368881490.db2.gz VPMZPJCOVUNQAR-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702032 1370559592 /nfs/dbraw/zinc/55/95/92/1370559592.db2.gz RXKQNVREQXSSDC-IEBWSBKVSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702070 1370559813 /nfs/dbraw/zinc/55/98/13/1370559813.db2.gz SQDDKSLRTCMVNF-WMZOPIPTSA-N 2 1 327.472 2.007 20 30 EEEDMP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001369847243 1374679077 /nfs/dbraw/zinc/67/90/77/1374679077.db2.gz XOXRDSQGBGUXRJ-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001369847243 1374679079 /nfs/dbraw/zinc/67/90/79/1374679079.db2.gz XOXRDSQGBGUXRJ-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001376154034 1378334655 /nfs/dbraw/zinc/33/46/55/1378334655.db2.gz GAZBNNIIKINZRG-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001390267115 1388545798 /nfs/dbraw/zinc/54/57/98/1388545798.db2.gz XZDNDSZRFIZNBH-UHFFFAOYSA-N 2 1 342.487 2.417 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001376559548 1378595888 /nfs/dbraw/zinc/59/58/88/1378595888.db2.gz RAWWDIDYALRJHJ-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001376995324 1378903818 /nfs/dbraw/zinc/90/38/18/1378903818.db2.gz JSNURSCNIYILTG-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001376995324 1378903825 /nfs/dbraw/zinc/90/38/25/1378903825.db2.gz JSNURSCNIYILTG-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC001376995324 1378903832 /nfs/dbraw/zinc/90/38/32/1378903832.db2.gz JSNURSCNIYILTG-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC001376995324 1378903837 /nfs/dbraw/zinc/90/38/37/1378903837.db2.gz JSNURSCNIYILTG-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[C@@H](C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1)[NH+](CC)CC ZINC001377993018 1379623716 /nfs/dbraw/zinc/62/37/16/1379623716.db2.gz NPSDXRPWVNQKGQ-IBGZPJMESA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001752655193 1406329119 /nfs/dbraw/zinc/32/91/19/1406329119.db2.gz MWPPSDQTKSZULL-LEAZDLGRSA-N 2 1 339.483 2.005 20 30 EEEDMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001391648718 1389499152 /nfs/dbraw/zinc/49/91/52/1389499152.db2.gz MIHBWFWAHFEJOB-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001391648718 1389499157 /nfs/dbraw/zinc/49/91/57/1389499157.db2.gz MIHBWFWAHFEJOB-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCC1 ZINC001393558220 1390471181 /nfs/dbraw/zinc/47/11/81/1390471181.db2.gz VWTDTGJTEQCXRQ-AWEZNQCLSA-N 2 1 336.867 2.135 20 30 EEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001398455527 1392795901 /nfs/dbraw/zinc/79/59/01/1392795901.db2.gz XXLDZAZWDYJNNP-MRXNPFEDSA-N 2 1 345.834 2.118 20 30 EEEDMP C=C(Br)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001400914536 1396719621 /nfs/dbraw/zinc/71/96/21/1396719621.db2.gz PZMVWKWVTZFFMP-ZDUSSCGKSA-N 2 1 344.297 2.008 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001401153830 1396990174 /nfs/dbraw/zinc/99/01/74/1396990174.db2.gz MMHBJCGPFNREDU-APWZRJJASA-N 2 1 342.487 2.275 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001401595445 1397466054 /nfs/dbraw/zinc/46/60/54/1397466054.db2.gz FVZUBVVGZBJFHM-PBHICJAKSA-N 2 1 348.516 2.336 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001422572817 1400035162 /nfs/dbraw/zinc/03/51/62/1400035162.db2.gz NYXKCGCDXRAKAE-KRWDZBQOSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCOCC1 ZINC001755096562 1407110095 /nfs/dbraw/zinc/11/00/95/1407110095.db2.gz ZWFATQMEUKDNCX-KRWDZBQOSA-N 2 1 349.519 2.082 20 30 EEEDMP C[N@@H+](CC#Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001755188657 1407196135 /nfs/dbraw/zinc/19/61/35/1407196135.db2.gz IHUQMKKDIHODPN-PMACEKPBSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001755188657 1407196143 /nfs/dbraw/zinc/19/61/43/1407196143.db2.gz IHUQMKKDIHODPN-PMACEKPBSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001755188657 1407196150 /nfs/dbraw/zinc/19/61/50/1407196150.db2.gz IHUQMKKDIHODPN-PMACEKPBSA-N 2 1 339.483 2.055 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C ZINC001426152096 1401914926 /nfs/dbraw/zinc/91/49/26/1401914926.db2.gz ZTQGANDOBKTHDM-ZDUSSCGKSA-N 2 1 348.329 2.357 20 30 EEEDMP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC001575048589 1403532465 /nfs/dbraw/zinc/53/24/65/1403532465.db2.gz KSJDMYTVNYSSFK-GJZGRUSLSA-N 2 1 332.423 2.132 20 30 EEEDMP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755520499 1407578611 /nfs/dbraw/zinc/57/86/11/1407578611.db2.gz JVJZTOKWYAPIHM-IRXDYDNUSA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001755710932 1407764900 /nfs/dbraw/zinc/76/49/00/1407764900.db2.gz CDQZMBIJJVMJGP-KZNAEPCWSA-N 2 1 330.476 2.374 20 30 EEEDMP C=CCCC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC1(C)C ZINC001755757890 1407815705 /nfs/dbraw/zinc/81/57/05/1407815705.db2.gz SLPBBWSDRXSOFX-INIZCTEOSA-N 2 1 334.464 2.143 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001115107549 1410971947 /nfs/dbraw/zinc/97/19/47/1410971947.db2.gz DOGYRVJCNKWYFW-DOADOZAASA-N 2 1 327.472 2.086 20 30 EEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001112472778 757026994 /nfs/dbraw/zinc/02/69/94/757026994.db2.gz HAGCCYRUCCWDNT-JXFKEZNVSA-N 2 1 342.487 2.166 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448089 760370878 /nfs/dbraw/zinc/37/08/78/760370878.db2.gz NOVQMYCQJCSJIK-AZUAARDMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC001075453893 760706126 /nfs/dbraw/zinc/70/61/26/760706126.db2.gz FRWVYPGOYNJFPR-GOSISDBHSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@@H]21 ZINC001087314487 761596295 /nfs/dbraw/zinc/59/62/95/761596295.db2.gz LUWUOKXTFSZXQW-BRWVUGGUSA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010186 782763209 /nfs/dbraw/zinc/76/32/09/782763209.db2.gz LWHSDNOXCVVMKI-MSOLQXFVSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089505405 769995841 /nfs/dbraw/zinc/99/58/41/769995841.db2.gz HBDOENMMHGWDEF-MRXNPFEDSA-N 2 1 330.476 2.247 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089505405 769995850 /nfs/dbraw/zinc/99/58/50/769995850.db2.gz HBDOENMMHGWDEF-MRXNPFEDSA-N 2 1 330.476 2.247 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088167098 783012565 /nfs/dbraw/zinc/01/25/65/783012565.db2.gz HJZQFZWLBIVMFR-LQWHRVPQSA-N 2 1 341.499 2.430 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnc4c3CCCC4)C[C@@H]2C1 ZINC000980167274 773994599 /nfs/dbraw/zinc/99/45/99/773994599.db2.gz QMLRWKIGFKKJJN-GVDBMIGSSA-N 2 1 342.487 2.165 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]2C1 ZINC000980167274 773994603 /nfs/dbraw/zinc/99/46/03/773994603.db2.gz QMLRWKIGFKKJJN-GVDBMIGSSA-N 2 1 342.487 2.165 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]2C1 ZINC000980167274 773994609 /nfs/dbraw/zinc/99/46/09/773994609.db2.gz QMLRWKIGFKKJJN-GVDBMIGSSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001089805930 775955975 /nfs/dbraw/zinc/95/59/75/775955975.db2.gz MFJINDDJYJEBFR-MANSERQUSA-N 2 1 343.515 2.053 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000981456972 777443679 /nfs/dbraw/zinc/44/36/79/777443679.db2.gz HGWVVABEEOKLQE-IBGZPJMESA-N 2 1 340.471 2.077 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767625 778165001 /nfs/dbraw/zinc/16/50/01/778165001.db2.gz UUVJFHFKCDUWJO-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981767625 778165003 /nfs/dbraw/zinc/16/50/03/778165003.db2.gz UUVJFHFKCDUWJO-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767625 778165006 /nfs/dbraw/zinc/16/50/06/778165006.db2.gz UUVJFHFKCDUWJO-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)c3occc3CN(C)C)C2)C1 ZINC000981968679 778708312 /nfs/dbraw/zinc/70/83/12/778708312.db2.gz YRCBHHHDRDUYAI-UHFFFAOYSA-N 2 1 331.460 2.455 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000981968679 778708316 /nfs/dbraw/zinc/70/83/16/778708316.db2.gz YRCBHHHDRDUYAI-UHFFFAOYSA-N 2 1 331.460 2.455 20 30 EEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000981968679 778708319 /nfs/dbraw/zinc/70/83/19/778708319.db2.gz YRCBHHHDRDUYAI-UHFFFAOYSA-N 2 1 331.460 2.455 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116993 779127781 /nfs/dbraw/zinc/12/77/81/779127781.db2.gz WOYHSDCYSYNHGQ-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982282485 779525604 /nfs/dbraw/zinc/52/56/04/779525604.db2.gz ACPIPPPXYNRKOF-KVPLUYHFSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982282485 779525618 /nfs/dbraw/zinc/52/56/18/779525618.db2.gz ACPIPPPXYNRKOF-KVPLUYHFSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982282485 779525624 /nfs/dbraw/zinc/52/56/24/779525624.db2.gz ACPIPPPXYNRKOF-KVPLUYHFSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035194122 784083045 /nfs/dbraw/zinc/08/30/45/784083045.db2.gz VLEFBKFLQIFMKG-QGZVFWFLSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035194122 784083054 /nfs/dbraw/zinc/08/30/54/784083054.db2.gz VLEFBKFLQIFMKG-QGZVFWFLSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260361 784215579 /nfs/dbraw/zinc/21/55/79/784215579.db2.gz UUKWQBZIYYFLQF-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035485377 784567770 /nfs/dbraw/zinc/56/77/70/784567770.db2.gz QWGAYLYJVNOJSW-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035485377 784567775 /nfs/dbraw/zinc/56/77/75/784567775.db2.gz QWGAYLYJVNOJSW-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001035485377 784567782 /nfs/dbraw/zinc/56/77/82/784567782.db2.gz QWGAYLYJVNOJSW-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001035485377 784567787 /nfs/dbraw/zinc/56/77/87/784567787.db2.gz QWGAYLYJVNOJSW-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135857551 784639289 /nfs/dbraw/zinc/63/92/89/784639289.db2.gz KDKUSODTAOXZON-CABCVRRESA-N 2 1 348.466 2.412 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)CC2 ZINC001035794196 785142763 /nfs/dbraw/zinc/14/27/63/785142763.db2.gz ABGSGNDBFDKMIZ-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000996728496 787318355 /nfs/dbraw/zinc/31/83/55/787318355.db2.gz KHSYWFATZQOYNN-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107522839 787484705 /nfs/dbraw/zinc/48/47/05/787484705.db2.gz XIHRGTMHADFLPX-NVXWUHKLSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107550875 787579798 /nfs/dbraw/zinc/57/97/98/787579798.db2.gz OJJFEKLYACAKDZ-ZMSDIMECSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552645 787608946 /nfs/dbraw/zinc/60/89/46/787608946.db2.gz POFOQZBZDYQUFU-YLJYHZDGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552645 787608950 /nfs/dbraw/zinc/60/89/50/787608950.db2.gz POFOQZBZDYQUFU-YLJYHZDGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552645 787608955 /nfs/dbraw/zinc/60/89/55/787608955.db2.gz POFOQZBZDYQUFU-YLJYHZDGSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]2C1 ZINC000946861264 788880659 /nfs/dbraw/zinc/88/06/59/788880659.db2.gz CSWRMUOJJJDZDZ-IYBDPMFKSA-N 2 1 328.460 2.118 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946894970 789456796 /nfs/dbraw/zinc/45/67/96/789456796.db2.gz LXXQNPYDYXPFIQ-IYBDPMFKSA-N 2 1 336.867 2.114 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946894970 789456800 /nfs/dbraw/zinc/45/68/00/789456800.db2.gz LXXQNPYDYXPFIQ-IYBDPMFKSA-N 2 1 336.867 2.114 20 30 EEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001171235308 790255627 /nfs/dbraw/zinc/25/56/27/790255627.db2.gz GWPUYTQNJLZJCX-FUHWJXTLSA-N 2 1 337.508 2.080 20 30 EEEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997828230 791243347 /nfs/dbraw/zinc/24/33/47/791243347.db2.gz GZZDOGIKUFPWOL-HKUYNNGSSA-N 2 1 333.520 2.491 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001146591859 791360015 /nfs/dbraw/zinc/36/00/15/791360015.db2.gz HPWSWJBBWDUEPF-CABCVRRESA-N 2 1 348.466 2.410 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1cscn1 ZINC001171307685 791851974 /nfs/dbraw/zinc/85/19/74/791851974.db2.gz KKGMBECTSWPJME-WBVHZDCISA-N 2 1 348.516 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1cscn1 ZINC001171307685 791851978 /nfs/dbraw/zinc/85/19/78/791851978.db2.gz KKGMBECTSWPJME-WBVHZDCISA-N 2 1 348.516 2.005 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001147829007 791986265 /nfs/dbraw/zinc/98/62/65/791986265.db2.gz ADTNHGKWDDVCIT-OAHLLOKOSA-N 2 1 346.475 2.239 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001147829007 791986271 /nfs/dbraw/zinc/98/62/71/791986271.db2.gz ADTNHGKWDDVCIT-OAHLLOKOSA-N 2 1 346.475 2.239 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942402 793035366 /nfs/dbraw/zinc/03/53/66/793035366.db2.gz PWTXDNVCXUVUSU-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)CN1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992421991 794045875 /nfs/dbraw/zinc/04/58/75/794045875.db2.gz YVSYVYDTMASJES-ZMSDIMECSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992421991 794045884 /nfs/dbraw/zinc/04/58/84/794045884.db2.gz YVSYVYDTMASJES-ZMSDIMECSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992421991 794045892 /nfs/dbraw/zinc/04/58/92/794045892.db2.gz YVSYVYDTMASJES-ZMSDIMECSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992421991 794045900 /nfs/dbraw/zinc/04/59/00/794045900.db2.gz YVSYVYDTMASJES-ZMSDIMECSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992421991 794045909 /nfs/dbraw/zinc/04/59/09/794045909.db2.gz YVSYVYDTMASJES-ZMSDIMECSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092609640 794141675 /nfs/dbraw/zinc/14/16/75/794141675.db2.gz GRXCXHDUKMHODL-CEXWTWQISA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092609640 794141679 /nfs/dbraw/zinc/14/16/79/794141679.db2.gz GRXCXHDUKMHODL-CEXWTWQISA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092609640 794141685 /nfs/dbraw/zinc/14/16/85/794141685.db2.gz GRXCXHDUKMHODL-CEXWTWQISA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000999350017 794343745 /nfs/dbraw/zinc/34/37/45/794343745.db2.gz VUBKQZHWCIKOJD-JKSUJKDBSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700950 795119482 /nfs/dbraw/zinc/11/94/82/795119482.db2.gz QOLSGVFFTQWOMB-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079700950 795119486 /nfs/dbraw/zinc/11/94/86/795119486.db2.gz QOLSGVFFTQWOMB-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079700950 795119492 /nfs/dbraw/zinc/11/94/92/795119492.db2.gz QOLSGVFFTQWOMB-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CCO2 ZINC001093395433 795167483 /nfs/dbraw/zinc/16/74/83/795167483.db2.gz CXWCRVIGOKMLDS-FDYSRKEFSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001000208586 795533225 /nfs/dbraw/zinc/53/32/25/795533225.db2.gz MKPZMQQXDFNARY-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP CN1CCC[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]21 ZINC001172991006 797201009 /nfs/dbraw/zinc/20/10/09/797201009.db2.gz TYVSBBZQFGPMLL-QZWWFDLISA-N 2 1 348.491 2.304 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001082567415 797590607 /nfs/dbraw/zinc/59/06/07/797590607.db2.gz DAAAKIYAVRRMLN-RLLQIKCJSA-N 2 1 339.483 2.029 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001082567415 797590612 /nfs/dbraw/zinc/59/06/12/797590612.db2.gz DAAAKIYAVRRMLN-RLLQIKCJSA-N 2 1 339.483 2.029 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083105287 797872301 /nfs/dbraw/zinc/87/23/01/797872301.db2.gz SMTJPOJHOHTPAA-CEXWTWQISA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083105287 797872306 /nfs/dbraw/zinc/87/23/06/797872306.db2.gz SMTJPOJHOHTPAA-CEXWTWQISA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083105287 797872311 /nfs/dbraw/zinc/87/23/11/797872311.db2.gz SMTJPOJHOHTPAA-CEXWTWQISA-N 2 1 349.519 2.127 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994478929 798072877 /nfs/dbraw/zinc/07/28/77/798072877.db2.gz WEWZJLJOENJEOJ-NVXWUHKLSA-N 2 1 331.460 2.337 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994478929 798072883 /nfs/dbraw/zinc/07/28/83/798072883.db2.gz WEWZJLJOENJEOJ-NVXWUHKLSA-N 2 1 331.460 2.337 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048717 798447819 /nfs/dbraw/zinc/44/78/19/798447819.db2.gz BWBLKNCBTWCDAG-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084958121 798577888 /nfs/dbraw/zinc/57/78/88/798577888.db2.gz MIDNMGQUFRFGLP-HOJAQTOUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958121 798577890 /nfs/dbraw/zinc/57/78/90/798577890.db2.gz MIDNMGQUFRFGLP-HOJAQTOUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958121 798577892 /nfs/dbraw/zinc/57/78/92/798577892.db2.gz MIDNMGQUFRFGLP-HOJAQTOUSA-N 2 1 343.515 2.340 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698333 799592578 /nfs/dbraw/zinc/59/25/78/799592578.db2.gz DEVHLADWAODUSE-KRWDZBQOSA-N 2 1 348.491 2.229 20 30 EEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001003622675 799901936 /nfs/dbraw/zinc/90/19/36/799901936.db2.gz YUMRFWYZHRMQKN-INIZCTEOSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001085608214 800893488 /nfs/dbraw/zinc/89/34/88/800893488.db2.gz LSOZXZFETQCHPK-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001085608214 800893495 /nfs/dbraw/zinc/89/34/95/800893495.db2.gz LSOZXZFETQCHPK-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001085608214 800893501 /nfs/dbraw/zinc/89/35/01/800893501.db2.gz LSOZXZFETQCHPK-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001085608214 800893507 /nfs/dbraw/zinc/89/35/07/800893507.db2.gz LSOZXZFETQCHPK-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001085608214 800893520 /nfs/dbraw/zinc/89/35/20/800893520.db2.gz LSOZXZFETQCHPK-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086110082 802199578 /nfs/dbraw/zinc/19/95/78/802199578.db2.gz SNZXIQPJFGXAOI-XEYPJELSSA-N 2 1 339.483 2.330 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086110082 802199584 /nfs/dbraw/zinc/19/95/84/802199584.db2.gz SNZXIQPJFGXAOI-XEYPJELSSA-N 2 1 339.483 2.330 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086110038 802199754 /nfs/dbraw/zinc/19/97/54/802199754.db2.gz QUMQMQMDIQZFQT-JQHSSLGASA-N 2 1 331.504 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086110038 802199757 /nfs/dbraw/zinc/19/97/57/802199757.db2.gz QUMQMQMDIQZFQT-JQHSSLGASA-N 2 1 331.504 2.005 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001108259099 802632344 /nfs/dbraw/zinc/63/23/44/802632344.db2.gz YWDXAVQSJMRXFX-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001108259099 802632345 /nfs/dbraw/zinc/63/23/45/802632345.db2.gz YWDXAVQSJMRXFX-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001108259099 802632347 /nfs/dbraw/zinc/63/23/47/802632347.db2.gz YWDXAVQSJMRXFX-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001108259099 802632348 /nfs/dbraw/zinc/63/23/48/802632348.db2.gz YWDXAVQSJMRXFX-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108418195 803506490 /nfs/dbraw/zinc/50/64/90/803506490.db2.gz QUYMYCYQKUKWEZ-IBGZPJMESA-N 2 1 337.508 2.036 20 30 EEEDMP C[NH+]1CCC(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000788470580 807540178 /nfs/dbraw/zinc/54/01/78/807540178.db2.gz KIKHFGRGGCJEKK-UHFFFAOYSA-N 2 1 326.488 2.408 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130411967 811599534 /nfs/dbraw/zinc/59/95/34/811599534.db2.gz GIAUQVAMNGZEOV-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(Br)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130614780 811844078 /nfs/dbraw/zinc/84/40/78/811844078.db2.gz DOTQRFMCJYORKY-UHFFFAOYSA-N 2 1 346.313 2.254 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001438464944 1090972124 /nfs/dbraw/zinc/97/21/24/1090972124.db2.gz RHEGCLUOBQDMDO-UHFFFAOYSA-N 2 1 327.900 2.395 20 30 EEEDMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001448108919 1104025732 /nfs/dbraw/zinc/02/57/32/1104025732.db2.gz ZTCBUHUFTSERJY-INIZCTEOSA-N 2 1 342.487 2.227 20 30 EEEDMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001494911794 1104545932 /nfs/dbraw/zinc/54/59/32/1104545932.db2.gz XKERLRBBVXPJDI-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1Cc1cccc(C#N)c1)CC(C)(C)C ZINC001499066539 1108531918 /nfs/dbraw/zinc/53/19/18/1108531918.db2.gz KNLNEJJXBCUROA-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1Cc1cccc(C#N)c1)CC(C)(C)C ZINC001499066539 1108531930 /nfs/dbraw/zinc/53/19/30/1108531930.db2.gz KNLNEJJXBCUROA-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)CC(C)(C)C ZINC001499066539 1108531941 /nfs/dbraw/zinc/53/19/41/1108531941.db2.gz KNLNEJJXBCUROA-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)CC(C)(C)C ZINC001499066539 1108531949 /nfs/dbraw/zinc/53/19/49/1108531949.db2.gz KNLNEJJXBCUROA-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000075860544 203324933 /nfs/dbraw/zinc/32/49/33/203324933.db2.gz HKUHTNFFHONYNI-ROUUACIJSA-N 2 1 331.460 2.104 20 30 EEEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000075860544 203324937 /nfs/dbraw/zinc/32/49/37/203324937.db2.gz HKUHTNFFHONYNI-ROUUACIJSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000075860544 203324939 /nfs/dbraw/zinc/32/49/39/203324939.db2.gz HKUHTNFFHONYNI-ROUUACIJSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000075860544 203324942 /nfs/dbraw/zinc/32/49/42/203324942.db2.gz HKUHTNFFHONYNI-ROUUACIJSA-N 2 1 331.460 2.104 20 30 EEEDMP CCC[N@@H+](CCOc1ccc(C#N)cc1)CCN1CC[NH+](CC)CC1 ZINC000344116934 161199824 /nfs/dbraw/zinc/19/98/24/161199824.db2.gz BCTLWDPBBHBMQA-UHFFFAOYSA-N 2 1 344.503 2.287 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671589 782047184 /nfs/dbraw/zinc/04/71/84/782047184.db2.gz GBMNNGOLFOMTJB-VQTJNVASSA-N 2 1 341.499 2.397 20 30 EEEDMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccccc1C#N)CC2 ZINC000334055419 465037211 /nfs/dbraw/zinc/03/72/11/465037211.db2.gz UUPYZVPJDFQHTM-UHFFFAOYSA-N 2 1 326.444 2.447 20 30 EEEDMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccccc1C#N)CC2 ZINC000334055419 465037221 /nfs/dbraw/zinc/03/72/21/465037221.db2.gz UUPYZVPJDFQHTM-UHFFFAOYSA-N 2 1 326.444 2.447 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)C(C)C ZINC000355469317 465250755 /nfs/dbraw/zinc/25/07/55/465250755.db2.gz FIGHVESLYOIYHS-ROUUACIJSA-N 2 1 336.524 2.421 20 30 EEEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185689670 463862352 /nfs/dbraw/zinc/86/23/52/463862352.db2.gz VPLQOTCIHHJMGL-FRQCXROJSA-N 2 1 334.508 2.283 20 30 EEEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185689670 463862357 /nfs/dbraw/zinc/86/23/57/463862357.db2.gz VPLQOTCIHHJMGL-FRQCXROJSA-N 2 1 334.508 2.283 20 30 EEEDMP C[NH+]=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N(C)C ZINC000262757322 464043829 /nfs/dbraw/zinc/04/38/29/464043829.db2.gz HTBDMJJGIMKOPF-AWEZNQCLSA-N 2 1 328.382 2.417 20 30 EEEDMP C[NH+]=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N(C)C ZINC000262757322 464043836 /nfs/dbraw/zinc/04/38/36/464043836.db2.gz HTBDMJJGIMKOPF-AWEZNQCLSA-N 2 1 328.382 2.417 20 30 EEEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N[C@H]1CCOc2ccccc21 ZINC000262777593 464045532 /nfs/dbraw/zinc/04/55/32/464045532.db2.gz KGCIALBMTNHPAF-YJBOKZPZSA-N 2 1 348.516 2.113 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(F)cc(F)c(F)c1F ZINC000280452421 464205685 /nfs/dbraw/zinc/20/56/85/464205685.db2.gz VRWSNGPNYOHXOS-VIFPVBQESA-N 2 1 332.345 2.132 20 30 EEEDMP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000264107404 464283551 /nfs/dbraw/zinc/28/35/51/464283551.db2.gz OCBUAVIXBYTZET-IBGZPJMESA-N 3 1 345.535 2.417 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000264316291 464294564 /nfs/dbraw/zinc/29/45/64/464294564.db2.gz WDMRQRWFQWGZAH-IAGOWNOFSA-N 2 1 347.507 2.114 20 30 EEEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264316291 464294568 /nfs/dbraw/zinc/29/45/68/464294568.db2.gz WDMRQRWFQWGZAH-IAGOWNOFSA-N 3 1 347.507 2.114 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264316291 464294574 /nfs/dbraw/zinc/29/45/74/464294574.db2.gz WDMRQRWFQWGZAH-IAGOWNOFSA-N 3 1 347.507 2.114 20 30 EEEDMP O=C(NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330218577 465573482 /nfs/dbraw/zinc/57/34/82/465573482.db2.gz JMEFVAJRUGRGSK-FHWLQOOXSA-N 2 1 343.471 2.205 20 30 EEEDMP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+]1C1CC1 ZINC000330218577 465573487 /nfs/dbraw/zinc/57/34/87/465573487.db2.gz JMEFVAJRUGRGSK-FHWLQOOXSA-N 2 1 343.471 2.205 20 30 EEEDMP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH+]1C1CC1 ZINC000330218577 465573493 /nfs/dbraw/zinc/57/34/93/465573493.db2.gz JMEFVAJRUGRGSK-FHWLQOOXSA-N 2 1 343.471 2.205 20 30 EEEDMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@@H](C)C1 ZINC000372065779 466142823 /nfs/dbraw/zinc/14/28/23/466142823.db2.gz IDALEQURXOJZFP-MAUKXSAKSA-N 2 1 327.476 2.242 20 30 EEEDMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000555554278 468482718 /nfs/dbraw/zinc/48/27/18/468482718.db2.gz UZRAGBMDIZFFQH-GASCZTMLSA-N 2 1 326.448 2.059 20 30 EEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000555554278 468482722 /nfs/dbraw/zinc/48/27/22/468482722.db2.gz UZRAGBMDIZFFQH-GASCZTMLSA-N 2 1 326.448 2.059 20 30 EEEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310562160 466517003 /nfs/dbraw/zinc/51/70/03/466517003.db2.gz WCAVVXXMPRFLEK-UHOSZYNNSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310562160 466517007 /nfs/dbraw/zinc/51/70/07/466517007.db2.gz WCAVVXXMPRFLEK-UHOSZYNNSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310562160 466517012 /nfs/dbraw/zinc/51/70/12/466517012.db2.gz WCAVVXXMPRFLEK-UHOSZYNNSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310562160 466517017 /nfs/dbraw/zinc/51/70/17/466517017.db2.gz WCAVVXXMPRFLEK-UHOSZYNNSA-N 2 1 327.472 2.131 20 30 EEEDMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]([NH3+])CCCC#N)c2)C[C@@H](C)O1 ZINC000424143443 466989292 /nfs/dbraw/zinc/98/92/92/466989292.db2.gz JSXIFHGFTKCFKR-IIDMSEBBSA-N 2 1 344.459 2.255 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424152070 466992274 /nfs/dbraw/zinc/99/22/74/466992274.db2.gz IBKZRIQVUNICJG-NJAFHUGGSA-N 2 1 328.460 2.177 20 30 EEEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592066065 468609971 /nfs/dbraw/zinc/60/99/71/468609971.db2.gz GUUMLWJOBNMQDM-QZTJIDSGSA-N 2 1 328.460 2.036 20 30 EEEDMP N#Cc1ncn(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000602654516 468990672 /nfs/dbraw/zinc/99/06/72/468990672.db2.gz MTPLTISVMMMBDV-SJLPKXTDSA-N 2 1 336.443 2.107 20 30 EEEDMP N#Cc1ncn(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000602654516 468990675 /nfs/dbraw/zinc/99/06/75/468990675.db2.gz MTPLTISVMMMBDV-SJLPKXTDSA-N 2 1 336.443 2.107 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001087750219 782182212 /nfs/dbraw/zinc/18/22/12/782182212.db2.gz YWIZFAKPHUTAEU-JKSUJKDBSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001087750219 782182218 /nfs/dbraw/zinc/18/22/18/782182218.db2.gz YWIZFAKPHUTAEU-JKSUJKDBSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969153997 674639990 /nfs/dbraw/zinc/63/99/90/674639990.db2.gz UZIXCTRCDAMHKY-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969153997 674639991 /nfs/dbraw/zinc/63/99/91/674639991.db2.gz UZIXCTRCDAMHKY-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153997 674639992 /nfs/dbraw/zinc/63/99/92/674639992.db2.gz UZIXCTRCDAMHKY-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153997 674639993 /nfs/dbraw/zinc/63/99/93/674639993.db2.gz UZIXCTRCDAMHKY-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970327017 675790466 /nfs/dbraw/zinc/79/04/66/675790466.db2.gz YNYBSMHKGUCXRM-QFBILLFUSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970953954 676266920 /nfs/dbraw/zinc/26/69/20/676266920.db2.gz ILKIQUNSXODSKF-OAHLLOKOSA-N 2 1 331.460 2.195 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707848 676366635 /nfs/dbraw/zinc/36/66/35/676366635.db2.gz YSYNXHKDPJXDEI-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706550 676366747 /nfs/dbraw/zinc/36/67/47/676366747.db2.gz LSUMNIGWGIDXEV-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCCC)CC[C@@H]32)CC1 ZINC001021740392 676399514 /nfs/dbraw/zinc/39/95/14/676399514.db2.gz SMXFXQIQZGXODX-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022221116 676742856 /nfs/dbraw/zinc/74/28/56/676742856.db2.gz YIPKYOMSXMJYGN-OTWHNJEPSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022221116 676742857 /nfs/dbraw/zinc/74/28/57/676742857.db2.gz YIPKYOMSXMJYGN-OTWHNJEPSA-N 2 1 331.504 2.291 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC000972329759 678552212 /nfs/dbraw/zinc/55/22/12/678552212.db2.gz BBBPVYQZYONQLW-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000972329759 678552214 /nfs/dbraw/zinc/55/22/14/678552214.db2.gz BBBPVYQZYONQLW-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000972329759 678552216 /nfs/dbraw/zinc/55/22/16/678552216.db2.gz BBBPVYQZYONQLW-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC000972332226 678556034 /nfs/dbraw/zinc/55/60/34/678556034.db2.gz OPPOQZCCGVDGER-GJZGRUSLSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC000972332226 678556035 /nfs/dbraw/zinc/55/60/35/678556035.db2.gz OPPOQZCCGVDGER-GJZGRUSLSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000972332226 678556036 /nfs/dbraw/zinc/55/60/36/678556036.db2.gz OPPOQZCCGVDGER-GJZGRUSLSA-N 2 1 346.500 2.137 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453589 679318058 /nfs/dbraw/zinc/31/80/58/679318058.db2.gz CHBWKQVHALVDAU-HNNXBMFYSA-N 2 1 334.464 2.144 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453589 679318060 /nfs/dbraw/zinc/31/80/60/679318060.db2.gz CHBWKQVHALVDAU-HNNXBMFYSA-N 2 1 334.464 2.144 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001024477119 679949692 /nfs/dbraw/zinc/94/96/92/679949692.db2.gz JCNSGKVBPMHFPI-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001024477119 679949694 /nfs/dbraw/zinc/94/96/94/679949694.db2.gz JCNSGKVBPMHFPI-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001024652950 681318455 /nfs/dbraw/zinc/31/84/55/681318455.db2.gz ZDMJGZONUZYQDD-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001024652950 681318460 /nfs/dbraw/zinc/31/84/60/681318460.db2.gz ZDMJGZONUZYQDD-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@]2(C)C1 ZINC000982726283 682111851 /nfs/dbraw/zinc/11/18/51/682111851.db2.gz UDVNUZULNRSVAQ-NRSPTQNISA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@]2(C)C1 ZINC000982726283 682111853 /nfs/dbraw/zinc/11/18/53/682111853.db2.gz UDVNUZULNRSVAQ-NRSPTQNISA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@]2(C)C1 ZINC000982726283 682111856 /nfs/dbraw/zinc/11/18/56/682111856.db2.gz UDVNUZULNRSVAQ-NRSPTQNISA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028758957 682121629 /nfs/dbraw/zinc/12/16/29/682121629.db2.gz LKSHWGAAWVIKNJ-HZPDHXFCSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001028758957 682121631 /nfs/dbraw/zinc/12/16/31/682121631.db2.gz LKSHWGAAWVIKNJ-HZPDHXFCSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028758957 682121632 /nfs/dbraw/zinc/12/16/32/682121632.db2.gz LKSHWGAAWVIKNJ-HZPDHXFCSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028758957 682121633 /nfs/dbraw/zinc/12/16/33/682121633.db2.gz LKSHWGAAWVIKNJ-HZPDHXFCSA-N 2 1 327.900 2.299 20 30 EEEDMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000261976910 682709058 /nfs/dbraw/zinc/70/90/58/682709058.db2.gz GIIPAACLLLFNCR-ZDUSSCGKSA-N 2 1 330.432 2.059 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557147 682994916 /nfs/dbraw/zinc/99/49/16/682994916.db2.gz FCLYREGYCCKEPT-VQIMIIECSA-N 2 1 327.472 2.212 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001020239297 683565126 /nfs/dbraw/zinc/56/51/26/683565126.db2.gz WACRICNLQUENNY-IIAWOOMASA-N 2 1 325.884 2.383 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC000983902609 683746258 /nfs/dbraw/zinc/74/62/58/683746258.db2.gz VPBHBVUAVNQIGW-IHPCNDPISA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC000983902609 683746265 /nfs/dbraw/zinc/74/62/65/683746265.db2.gz VPBHBVUAVNQIGW-IHPCNDPISA-N 2 1 339.483 2.077 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991013855 694186524 /nfs/dbraw/zinc/18/65/24/694186524.db2.gz AIUAHTCBOHQBSD-NLWGTHIKSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991013855 694186526 /nfs/dbraw/zinc/18/65/26/694186526.db2.gz AIUAHTCBOHQBSD-NLWGTHIKSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991013855 694186528 /nfs/dbraw/zinc/18/65/28/694186528.db2.gz AIUAHTCBOHQBSD-NLWGTHIKSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880052 1192633527 /nfs/dbraw/zinc/63/35/27/1192633527.db2.gz GYODVUIZWFHNNV-YRPNKDGESA-N 2 1 345.531 2.463 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001088632133 1188019918 /nfs/dbraw/zinc/01/99/18/1188019918.db2.gz ZYXACICHCMTUOS-NEWSRXKRSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105518509 1188135735 /nfs/dbraw/zinc/13/57/35/1188135735.db2.gz ZWEWMLNVBHCQMV-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Br)C[NH2+]C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001203431499 1188249752 /nfs/dbraw/zinc/24/97/52/1188249752.db2.gz KNIVAUQPFHGGHK-UHFFFAOYSA-N 2 1 346.313 2.208 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001168363264 1188564061 /nfs/dbraw/zinc/56/40/61/1188564061.db2.gz AMUAZYTXAAPDTC-UHFFFAOYSA-N 2 1 339.443 2.140 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001033683947 1195064021 /nfs/dbraw/zinc/06/40/21/1195064021.db2.gz JYKHDSMTJNVUEK-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033938974 1195563034 /nfs/dbraw/zinc/56/30/34/1195563034.db2.gz DRVKJOKTQRSZHO-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033938974 1195563040 /nfs/dbraw/zinc/56/30/40/1195563040.db2.gz DRVKJOKTQRSZHO-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312041 1196081526 /nfs/dbraw/zinc/08/15/26/1196081526.db2.gz NHXOHBMDKPDMHL-INIZCTEOSA-N 2 1 330.476 2.309 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312041 1196081531 /nfs/dbraw/zinc/08/15/31/1196081531.db2.gz NHXOHBMDKPDMHL-INIZCTEOSA-N 2 1 330.476 2.309 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034329912 1196099620 /nfs/dbraw/zinc/09/96/20/1196099620.db2.gz JROKVQFTENNEAH-SFHVURJKSA-N 2 1 327.472 2.008 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001133893705 1199149831 /nfs/dbraw/zinc/14/98/31/1199149831.db2.gz NIWFACZWCBHXSD-UHFFFAOYSA-N 2 1 347.890 2.129 20 30 EEEDMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001134607085 1199698783 /nfs/dbraw/zinc/69/87/83/1199698783.db2.gz DBRNGRRTVYDPGB-MSOLQXFVSA-N 2 1 341.499 2.395 20 30 EEEDMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001134607828 1199700627 /nfs/dbraw/zinc/70/06/27/1199700627.db2.gz MFNDXNWYCPUIOI-KGLIPLIRSA-N 2 1 348.516 2.477 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941871 1200217624 /nfs/dbraw/zinc/21/76/24/1200217624.db2.gz RNFOEFNRMMKJIL-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001133410565 1200879039 /nfs/dbraw/zinc/87/90/39/1200879039.db2.gz NMLZDMAZWDCBIX-QGZVFWFLSA-N 2 1 347.890 2.233 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC(C[N@@H+](C)CCCC)CC2)C1 ZINC000890375239 1204843891 /nfs/dbraw/zinc/84/38/91/1204843891.db2.gz SGTUHNXYVVZNOZ-IBGZPJMESA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC(C[N@H+](C)CCCC)CC2)C1 ZINC000890375239 1204843895 /nfs/dbraw/zinc/84/38/95/1204843895.db2.gz SGTUHNXYVVZNOZ-IBGZPJMESA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(C[NH+](C)CCCC)CC2)C1 ZINC000890375239 1204843897 /nfs/dbraw/zinc/84/38/97/1204843897.db2.gz SGTUHNXYVVZNOZ-IBGZPJMESA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(C[NH+](C)CCCC)CC2)C1 ZINC000890375239 1204843899 /nfs/dbraw/zinc/84/38/99/1204843899.db2.gz SGTUHNXYVVZNOZ-IBGZPJMESA-N 2 1 348.535 2.238 20 30 EEEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC001274920256 1205209890 /nfs/dbraw/zinc/20/98/90/1205209890.db2.gz GJRMZBNJSHXTEF-NRFANRHFSA-N 2 1 340.515 2.450 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001110958935 1206444739 /nfs/dbraw/zinc/44/47/39/1206444739.db2.gz ALTYGCQTKQUXCL-AQNXPRMDSA-N 2 1 339.483 2.101 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001110958935 1206444741 /nfs/dbraw/zinc/44/47/41/1206444741.db2.gz ALTYGCQTKQUXCL-AQNXPRMDSA-N 2 1 339.483 2.101 20 30 EEEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437933 1207380239 /nfs/dbraw/zinc/38/02/39/1207380239.db2.gz CSZMNRABEZDLFC-FGTMMUONSA-N 2 1 340.471 2.205 20 30 EEEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437933 1207380243 /nfs/dbraw/zinc/38/02/43/1207380243.db2.gz CSZMNRABEZDLFC-FGTMMUONSA-N 2 1 340.471 2.205 20 30 EEEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437933 1207380246 /nfs/dbraw/zinc/38/02/46/1207380246.db2.gz CSZMNRABEZDLFC-FGTMMUONSA-N 2 1 340.471 2.205 20 30 EEEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437933 1207380248 /nfs/dbraw/zinc/38/02/48/1207380248.db2.gz CSZMNRABEZDLFC-FGTMMUONSA-N 2 1 340.471 2.205 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001111031334 1207611419 /nfs/dbraw/zinc/61/14/19/1207611419.db2.gz SQSNMZCSHJENGS-QRVBRYPASA-N 2 1 327.472 2.068 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001111031334 1207611420 /nfs/dbraw/zinc/61/14/20/1207611420.db2.gz SQSNMZCSHJENGS-QRVBRYPASA-N 2 1 327.472 2.068 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111031334 1207611423 /nfs/dbraw/zinc/61/14/23/1207611423.db2.gz SQSNMZCSHJENGS-QRVBRYPASA-N 2 1 327.472 2.068 20 30 EEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111031334 1207611424 /nfs/dbraw/zinc/61/14/24/1207611424.db2.gz SQSNMZCSHJENGS-QRVBRYPASA-N 2 1 327.472 2.068 20 30 EEEDMP CCOCCCNC(=[NH2+])NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000303878133 1213917373 /nfs/dbraw/zinc/91/73/73/1213917373.db2.gz FTZBSBLPSDLXSK-UHFFFAOYSA-N 2 1 332.492 2.154 20 30 EEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc2ccccc2c1 ZINC000303885436 1213921171 /nfs/dbraw/zinc/92/11/71/1213921171.db2.gz NDWJBEKOWOPVDK-UHFFFAOYSA-N 2 1 340.471 2.009 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)CC1 ZINC000957621052 1215264393 /nfs/dbraw/zinc/26/43/93/1215264393.db2.gz VJUVIGSDYMWOMJ-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CC[N@H+](CC=C)C3)C2)CC1 ZINC000961292508 1217132048 /nfs/dbraw/zinc/13/20/48/1217132048.db2.gz JPPTZJGLMGNSDA-UXHICEINSA-N 2 1 343.515 2.078 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CC[NH+](C)C ZINC000961343830 1217150868 /nfs/dbraw/zinc/15/08/68/1217150868.db2.gz SXBRCYCHXJGRCO-BWTSREIZSA-N 2 1 327.472 2.027 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961443815 1217192084 /nfs/dbraw/zinc/19/20/84/1217192084.db2.gz WPBOMLUDUHQQSY-LJQANCHMSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001017150363 1221303109 /nfs/dbraw/zinc/30/31/09/1221303109.db2.gz RUUHOVPVEMFBGP-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017150363 1221303115 /nfs/dbraw/zinc/30/31/15/1221303115.db2.gz RUUHOVPVEMFBGP-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017150363 1221303120 /nfs/dbraw/zinc/30/31/20/1221303120.db2.gz RUUHOVPVEMFBGP-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017150363 1221303123 /nfs/dbraw/zinc/30/31/23/1221303123.db2.gz RUUHOVPVEMFBGP-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968866092 1221632220 /nfs/dbraw/zinc/63/22/20/1221632220.db2.gz AELACMAHJDUPJE-BZUAXINKSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968866092 1221632224 /nfs/dbraw/zinc/63/22/24/1221632224.db2.gz AELACMAHJDUPJE-BZUAXINKSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968866092 1221632226 /nfs/dbraw/zinc/63/22/26/1221632226.db2.gz AELACMAHJDUPJE-BZUAXINKSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968866092 1221632229 /nfs/dbraw/zinc/63/22/29/1221632229.db2.gz AELACMAHJDUPJE-BZUAXINKSA-N 2 1 327.900 2.440 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928162 1221679366 /nfs/dbraw/zinc/67/93/66/1221679366.db2.gz DHSNPAWMERQJJH-RBUKOAKNSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928162 1221679369 /nfs/dbraw/zinc/67/93/69/1221679369.db2.gz DHSNPAWMERQJJH-RBUKOAKNSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000968928162 1221679371 /nfs/dbraw/zinc/67/93/71/1221679371.db2.gz DHSNPAWMERQJJH-RBUKOAKNSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC000968955021 1221698912 /nfs/dbraw/zinc/69/89/12/1221698912.db2.gz ZRPYZRHFMHGSKY-UXHICEINSA-N 2 1 339.483 2.037 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC000968955021 1221698914 /nfs/dbraw/zinc/69/89/14/1221698914.db2.gz ZRPYZRHFMHGSKY-UXHICEINSA-N 2 1 339.483 2.037 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000968954891 1221699482 /nfs/dbraw/zinc/69/94/82/1221699482.db2.gz XLLBLRKIVKAGIF-NSHGMRRFSA-N 2 1 339.483 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000968954891 1221699484 /nfs/dbraw/zinc/69/94/84/1221699484.db2.gz XLLBLRKIVKAGIF-NSHGMRRFSA-N 2 1 339.483 2.344 20 30 EEEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000968997976 1221728879 /nfs/dbraw/zinc/72/88/79/1221728879.db2.gz HQTSLZYAJGHGCK-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000968997976 1221728881 /nfs/dbraw/zinc/72/88/81/1221728881.db2.gz HQTSLZYAJGHGCK-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000968997976 1221728884 /nfs/dbraw/zinc/72/88/84/1221728884.db2.gz HQTSLZYAJGHGCK-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969073276 1221784434 /nfs/dbraw/zinc/78/44/34/1221784434.db2.gz YTHAARKRLSSONG-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007906229 1222495334 /nfs/dbraw/zinc/49/53/34/1222495334.db2.gz GRAAKIYEZKYJGZ-OAHLLOKOSA-N 2 1 325.416 2.038 20 30 EEEDMP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200897 1223173685 /nfs/dbraw/zinc/17/36/85/1223173685.db2.gz ILSTVONOXHTIMN-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200897 1223173687 /nfs/dbraw/zinc/17/36/87/1223173687.db2.gz ILSTVONOXHTIMN-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200897 1223173688 /nfs/dbraw/zinc/17/36/88/1223173688.db2.gz ILSTVONOXHTIMN-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200897 1223173690 /nfs/dbraw/zinc/17/36/90/1223173690.db2.gz ILSTVONOXHTIMN-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001016338050 1226361431 /nfs/dbraw/zinc/36/14/31/1226361431.db2.gz VSKJTXFEGGLBHI-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014394024 1226557285 /nfs/dbraw/zinc/55/72/85/1226557285.db2.gz AAWFPUZGGXKQMU-RTBURBONSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014394024 1226557290 /nfs/dbraw/zinc/55/72/90/1226557290.db2.gz AAWFPUZGGXKQMU-RTBURBONSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001014394024 1226557292 /nfs/dbraw/zinc/55/72/92/1226557292.db2.gz AAWFPUZGGXKQMU-RTBURBONSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001014394024 1226557295 /nfs/dbraw/zinc/55/72/95/1226557295.db2.gz AAWFPUZGGXKQMU-RTBURBONSA-N 2 1 340.471 2.122 20 30 EEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001017943716 1227901192 /nfs/dbraw/zinc/90/11/92/1227901192.db2.gz GMJPNTVRZQQMCV-FCEWJHQRSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001017943716 1227901198 /nfs/dbraw/zinc/90/11/98/1227901198.db2.gz GMJPNTVRZQQMCV-FCEWJHQRSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001017943716 1227901201 /nfs/dbraw/zinc/90/12/01/1227901201.db2.gz GMJPNTVRZQQMCV-FCEWJHQRSA-N 2 1 337.483 2.450 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018938285 1228551643 /nfs/dbraw/zinc/55/16/43/1228551643.db2.gz HICFFVCCYWNTAV-YOEHRIQHSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001018986284 1228607667 /nfs/dbraw/zinc/60/76/67/1228607667.db2.gz XLLBLRKIVKAGIF-BJLQDIEVSA-N 2 1 339.483 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001018986284 1228607670 /nfs/dbraw/zinc/60/76/70/1228607670.db2.gz XLLBLRKIVKAGIF-BJLQDIEVSA-N 2 1 339.483 2.344 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018986084 1228608360 /nfs/dbraw/zinc/60/83/60/1228608360.db2.gz RATNGOKIHBUKQP-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018986084 1228608362 /nfs/dbraw/zinc/60/83/62/1228608362.db2.gz RATNGOKIHBUKQP-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001020237948 1229573943 /nfs/dbraw/zinc/57/39/43/1229573943.db2.gz IQTDGTFGAPNNCO-KZNAEPCWSA-N 2 1 349.438 2.069 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001020250994 1229583373 /nfs/dbraw/zinc/58/33/73/1229583373.db2.gz ZHNOLTBWWZXSFS-BZSNNMDCSA-N 2 1 345.874 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001020250994 1229583374 /nfs/dbraw/zinc/58/33/74/1229583374.db2.gz ZHNOLTBWWZXSFS-BZSNNMDCSA-N 2 1 345.874 2.174 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040208092 1231104089 /nfs/dbraw/zinc/10/40/89/1231104089.db2.gz IYTUGBGWGAUTIL-ICSRJNTNSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001041288481 1231495782 /nfs/dbraw/zinc/49/57/82/1231495782.db2.gz XGABIMVQOCZTRM-NQIIRXRSSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041288481 1231495784 /nfs/dbraw/zinc/49/57/84/1231495784.db2.gz XGABIMVQOCZTRM-NQIIRXRSSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041288481 1231495786 /nfs/dbraw/zinc/49/57/86/1231495786.db2.gz XGABIMVQOCZTRM-NQIIRXRSSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001041680528 1231647980 /nfs/dbraw/zinc/64/79/80/1231647980.db2.gz TXFZHBOLPQTQTE-YOEHRIQHSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041680528 1231647982 /nfs/dbraw/zinc/64/79/82/1231647982.db2.gz TXFZHBOLPQTQTE-YOEHRIQHSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041680528 1231647983 /nfs/dbraw/zinc/64/79/83/1231647983.db2.gz TXFZHBOLPQTQTE-YOEHRIQHSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041680528 1231647984 /nfs/dbraw/zinc/64/79/84/1231647984.db2.gz TXFZHBOLPQTQTE-YOEHRIQHSA-N 2 1 325.884 2.005 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041742794 1231670941 /nfs/dbraw/zinc/67/09/41/1231670941.db2.gz DZSVJLLRNPHIRN-NRFANRHFSA-N 2 1 339.483 2.310 20 30 EEEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001045273570 1233629879 /nfs/dbraw/zinc/62/98/79/1233629879.db2.gz OONCTEGHFDOBPY-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001045385870 1233711251 /nfs/dbraw/zinc/71/12/51/1233711251.db2.gz ZXLQZUBEYVQATH-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001045385870 1233711253 /nfs/dbraw/zinc/71/12/53/1233711253.db2.gz ZXLQZUBEYVQATH-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001046946512 1235340580 /nfs/dbraw/zinc/34/05/80/1235340580.db2.gz WGYWAJLSDKRXPF-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001046946512 1235340582 /nfs/dbraw/zinc/34/05/82/1235340582.db2.gz WGYWAJLSDKRXPF-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001046946512 1235340585 /nfs/dbraw/zinc/34/05/85/1235340585.db2.gz WGYWAJLSDKRXPF-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046988454 1235397205 /nfs/dbraw/zinc/39/72/05/1235397205.db2.gz ODEPKIDUZHYNQX-MRXNPFEDSA-N 2 1 343.462 2.366 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257822 1235762480 /nfs/dbraw/zinc/76/24/80/1235762480.db2.gz UWPPXXYRUWCAKG-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572406 1237993324 /nfs/dbraw/zinc/99/33/24/1237993324.db2.gz HTBMZYBUPWEWSS-RDGPPVDQSA-N 2 1 331.504 2.242 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC001000149409 1239999282 /nfs/dbraw/zinc/99/92/82/1239999282.db2.gz LNRMTANEGABXIP-SFHVURJKSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171013 1240174384 /nfs/dbraw/zinc/17/43/84/1240174384.db2.gz IAZYXUAUEUCEEE-WCXIOVBPSA-N 2 1 339.911 2.250 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049485179 1241096892 /nfs/dbraw/zinc/09/68/92/1241096892.db2.gz MCCNTMZNSIXQTB-FGTMMUONSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049485179 1241096898 /nfs/dbraw/zinc/09/68/98/1241096898.db2.gz MCCNTMZNSIXQTB-FGTMMUONSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563633 1241432314 /nfs/dbraw/zinc/43/23/14/1241432314.db2.gz GGNYUXOAKDLDAG-MSOLQXFVSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563633 1241432318 /nfs/dbraw/zinc/43/23/18/1241432318.db2.gz GGNYUXOAKDLDAG-MSOLQXFVSA-N 2 1 331.504 2.338 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049599988 1241598749 /nfs/dbraw/zinc/59/87/49/1241598749.db2.gz XDEPUORMPCDVCX-MSOLQXFVSA-N 2 1 328.460 2.013 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049599988 1241598756 /nfs/dbraw/zinc/59/87/56/1241598756.db2.gz XDEPUORMPCDVCX-MSOLQXFVSA-N 2 1 328.460 2.013 20 30 EEEDMP N#CC1(CCCC[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000903742018 1241798502 /nfs/dbraw/zinc/79/85/02/1241798502.db2.gz ULQMEVBPDOFNRH-ROUUACIJSA-N 2 1 346.519 2.431 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049678457 1241853077 /nfs/dbraw/zinc/85/30/77/1241853077.db2.gz ZPRHLXVQOQPYIF-IAGOWNOFSA-N 2 1 329.444 2.043 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049678457 1241853092 /nfs/dbraw/zinc/85/30/92/1241853092.db2.gz ZPRHLXVQOQPYIF-IAGOWNOFSA-N 2 1 329.444 2.043 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049753504 1242093267 /nfs/dbraw/zinc/09/32/67/1242093267.db2.gz KKKVMPAWGHLHBH-IAGOWNOFSA-N 2 1 328.460 2.095 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049753504 1242093277 /nfs/dbraw/zinc/09/32/77/1242093277.db2.gz KKKVMPAWGHLHBH-IAGOWNOFSA-N 2 1 328.460 2.095 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001001404191 1242207731 /nfs/dbraw/zinc/20/77/31/1242207731.db2.gz HLJBRBNBOFHJTC-DLBZAZTESA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001404191 1242207742 /nfs/dbraw/zinc/20/77/42/1242207742.db2.gz HLJBRBNBOFHJTC-DLBZAZTESA-N 2 1 339.911 2.442 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049842512 1242384837 /nfs/dbraw/zinc/38/48/37/1242384837.db2.gz LSXQQYMDPXYLDM-UXHICEINSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049845356 1242400191 /nfs/dbraw/zinc/40/01/91/1242400191.db2.gz XXGQICYYJVKYPI-PMACEKPBSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627260 1242589871 /nfs/dbraw/zinc/58/98/71/1242589871.db2.gz KWMXMPMFOXKPOB-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627260 1242589883 /nfs/dbraw/zinc/58/98/83/1242589883.db2.gz KWMXMPMFOXKPOB-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627260 1242589900 /nfs/dbraw/zinc/58/99/00/1242589900.db2.gz KWMXMPMFOXKPOB-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919830 1242711208 /nfs/dbraw/zinc/71/12/08/1242711208.db2.gz PSHWVHKOABACKN-UXHICEINSA-N 2 1 339.483 2.450 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001050096768 1242858411 /nfs/dbraw/zinc/85/84/11/1242858411.db2.gz XOKOWTXTMKBQAB-QFBILLFUSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001050096768 1242858422 /nfs/dbraw/zinc/85/84/22/1242858422.db2.gz XOKOWTXTMKBQAB-QFBILLFUSA-N 2 1 342.487 2.261 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=C)Cl)CC2)CC1 ZINC001052957835 1245555600 /nfs/dbraw/zinc/55/56/00/1245555600.db2.gz JJZLCVOPRVYIRG-KRWDZBQOSA-N 2 1 337.895 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095201 1245890430 /nfs/dbraw/zinc/89/04/30/1245890430.db2.gz IHDCOURIWPIHRN-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107300 1245926210 /nfs/dbraw/zinc/92/62/10/1245926210.db2.gz DRRBHXCAVGZTNW-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107300 1245926216 /nfs/dbraw/zinc/92/62/16/1245926216.db2.gz DRRBHXCAVGZTNW-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC3CCC3)C2)C1 ZINC001054146204 1247521025 /nfs/dbraw/zinc/52/10/25/1247521025.db2.gz AGUBHYOKRRYYGO-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC3CCC3)C2)C1 ZINC001054146204 1247521032 /nfs/dbraw/zinc/52/10/32/1247521032.db2.gz AGUBHYOKRRYYGO-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054146204 1247521039 /nfs/dbraw/zinc/52/10/39/1247521039.db2.gz AGUBHYOKRRYYGO-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054146204 1247521047 /nfs/dbraw/zinc/52/10/47/1247521047.db2.gz AGUBHYOKRRYYGO-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245199 1247860075 /nfs/dbraw/zinc/86/00/75/1247860075.db2.gz PSOCHMXPMYGUNE-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cc2C1 ZINC001054281493 1247998397 /nfs/dbraw/zinc/99/83/97/1247998397.db2.gz MYSOFZDZMQOICH-KXBFYZLASA-N 2 1 327.472 2.392 20 30 EEEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281493 1247998411 /nfs/dbraw/zinc/99/84/11/1247998411.db2.gz MYSOFZDZMQOICH-KXBFYZLASA-N 2 1 327.472 2.392 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281493 1247998420 /nfs/dbraw/zinc/99/84/20/1247998420.db2.gz MYSOFZDZMQOICH-KXBFYZLASA-N 2 1 327.472 2.392 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+]1CCCC1 ZINC001099552526 1258200431 /nfs/dbraw/zinc/20/04/31/1258200431.db2.gz OKSMYVWWFHUMAR-MANSERQUSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001099597506 1258246395 /nfs/dbraw/zinc/24/63/95/1258246395.db2.gz XETJRXNWYOUBIS-GOSISDBHSA-N 2 1 349.519 2.036 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193292628 1282428285 /nfs/dbraw/zinc/42/82/85/1282428285.db2.gz QIKHROXOJPPMLR-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193292628 1282428291 /nfs/dbraw/zinc/42/82/91/1282428291.db2.gz QIKHROXOJPPMLR-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193292628 1282428295 /nfs/dbraw/zinc/42/82/95/1282428295.db2.gz QIKHROXOJPPMLR-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC001193571805 1282569445 /nfs/dbraw/zinc/56/94/45/1282569445.db2.gz WPDMVZHZZMDZHV-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC001193571805 1282569455 /nfs/dbraw/zinc/56/94/55/1282569455.db2.gz WPDMVZHZZMDZHV-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193622693 1282606893 /nfs/dbraw/zinc/60/68/93/1282606893.db2.gz RFDPWSPTMJESES-IBGZPJMESA-N 2 1 345.462 2.052 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193622693 1282606900 /nfs/dbraw/zinc/60/69/00/1282606900.db2.gz RFDPWSPTMJESES-IBGZPJMESA-N 2 1 345.462 2.052 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193622693 1282606906 /nfs/dbraw/zinc/60/69/06/1282606906.db2.gz RFDPWSPTMJESES-IBGZPJMESA-N 2 1 345.462 2.052 20 30 EEEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001099503513 1299173496 /nfs/dbraw/zinc/17/34/96/1299173496.db2.gz CQIVFXAVPFYKRD-RDGPPVDQSA-N 2 1 343.515 2.053 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222790294 1299861899 /nfs/dbraw/zinc/86/18/99/1299861899.db2.gz WLFLYPVKQWRRRH-ZACQAIPSSA-N 2 1 325.472 2.165 20 30 EEEDMP C=CCCCC[N@@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001276888112 1300118434 /nfs/dbraw/zinc/11/84/34/1300118434.db2.gz UANALAUHPCPINB-NEWSRXKRSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102013422 1300140389 /nfs/dbraw/zinc/14/03/89/1300140389.db2.gz XKQAUOVVFQNQOI-BRWVUGGUSA-N 2 1 327.488 2.317 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103086650 1302193739 /nfs/dbraw/zinc/19/37/39/1302193739.db2.gz LTADMTQCJFUVOQ-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103086650 1302193749 /nfs/dbraw/zinc/19/37/49/1302193749.db2.gz LTADMTQCJFUVOQ-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103086650 1302193752 /nfs/dbraw/zinc/19/37/52/1302193752.db2.gz LTADMTQCJFUVOQ-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359296 1302809062 /nfs/dbraw/zinc/80/90/62/1302809062.db2.gz SVTBSTLZWBIEGM-GUDVDZBRSA-N 2 1 333.520 2.206 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359296 1302809075 /nfs/dbraw/zinc/80/90/75/1302809075.db2.gz SVTBSTLZWBIEGM-GUDVDZBRSA-N 2 1 333.520 2.206 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359296 1302809085 /nfs/dbraw/zinc/80/90/85/1302809085.db2.gz SVTBSTLZWBIEGM-GUDVDZBRSA-N 2 1 333.520 2.206 20 30 EEEDMP C=CCOCC[NH+]1CCC(NC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001229641570 1302903691 /nfs/dbraw/zinc/90/36/91/1302903691.db2.gz OJVUMTBVZNBFAN-UHFFFAOYSA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846336 1303497184 /nfs/dbraw/zinc/49/71/84/1303497184.db2.gz GCNJIFYADJHAJB-HKUYNNGSSA-N 2 1 344.503 2.164 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846336 1303497188 /nfs/dbraw/zinc/49/71/88/1303497188.db2.gz GCNJIFYADJHAJB-HKUYNNGSSA-N 2 1 344.503 2.164 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846336 1303497193 /nfs/dbraw/zinc/49/71/93/1303497193.db2.gz GCNJIFYADJHAJB-HKUYNNGSSA-N 2 1 344.503 2.164 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1cccnc1 ZINC001230846362 1303497636 /nfs/dbraw/zinc/49/76/36/1303497636.db2.gz HDOUMRMMKLURLY-SFHVURJKSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1cccnc1 ZINC001230846362 1303497640 /nfs/dbraw/zinc/49/76/40/1303497640.db2.gz HDOUMRMMKLURLY-SFHVURJKSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1cccnc1 ZINC001230846362 1303497641 /nfs/dbraw/zinc/49/76/41/1303497641.db2.gz HDOUMRMMKLURLY-SFHVURJKSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCOCC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)CC)CCCCC1 ZINC001115601449 1305484145 /nfs/dbraw/zinc/48/41/45/1305484145.db2.gz BASIYKNILXBWRP-UHFFFAOYSA-N 2 1 339.524 2.328 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421950 1309523209 /nfs/dbraw/zinc/52/32/09/1309523209.db2.gz GVNAFBMZANJDRV-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423415 1309526562 /nfs/dbraw/zinc/52/65/62/1309526562.db2.gz UHGVFZPLOCBKAB-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C[NH+](C)CCOc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001138768726 1314663439 /nfs/dbraw/zinc/66/34/39/1314663439.db2.gz CWUVPAKQLVMXOS-KRWDZBQOSA-N 2 1 332.469 2.401 20 30 EEEDMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001138768726 1314663442 /nfs/dbraw/zinc/66/34/42/1314663442.db2.gz CWUVPAKQLVMXOS-KRWDZBQOSA-N 2 1 332.469 2.401 20 30 EEEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001138768726 1314663445 /nfs/dbraw/zinc/66/34/45/1314663445.db2.gz CWUVPAKQLVMXOS-KRWDZBQOSA-N 2 1 332.469 2.401 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001150402367 1316258010 /nfs/dbraw/zinc/25/80/10/1316258010.db2.gz CLCMVHKZZXXOHA-QGZVFWFLSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001150402367 1316258013 /nfs/dbraw/zinc/25/80/13/1316258013.db2.gz CLCMVHKZZXXOHA-QGZVFWFLSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C[C@](C)(O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001252550858 1317632710 /nfs/dbraw/zinc/63/27/10/1317632710.db2.gz PBOANYDBTHCCLP-IBGZPJMESA-N 2 1 330.472 2.290 20 30 EEEDMP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157014476 1318347449 /nfs/dbraw/zinc/34/74/49/1318347449.db2.gz YUMZBLORZCAWFI-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157014476 1318347462 /nfs/dbraw/zinc/34/74/62/1318347462.db2.gz YUMZBLORZCAWFI-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001157014476 1318347473 /nfs/dbraw/zinc/34/74/73/1318347473.db2.gz YUMZBLORZCAWFI-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001157014476 1318347483 /nfs/dbraw/zinc/34/74/83/1318347483.db2.gz YUMZBLORZCAWFI-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001157886271 1318917022 /nfs/dbraw/zinc/91/70/22/1318917022.db2.gz DNGHEKKDRMWEHY-GOSISDBHSA-N 2 1 328.460 2.027 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160131279 1320079037 /nfs/dbraw/zinc/07/90/37/1320079037.db2.gz JVZIXZBQXIIZKG-UHFFFAOYSA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(Cl)s1 ZINC001160197751 1320096821 /nfs/dbraw/zinc/09/68/21/1320096821.db2.gz DYNZKYHRJGALGG-AWEZNQCLSA-N 2 1 339.892 2.095 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(Cl)s1 ZINC001160197751 1320096825 /nfs/dbraw/zinc/09/68/25/1320096825.db2.gz DYNZKYHRJGALGG-AWEZNQCLSA-N 2 1 339.892 2.095 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160474014 1320171866 /nfs/dbraw/zinc/17/18/66/1320171866.db2.gz WPEWJITXDLDMER-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001160474014 1320171870 /nfs/dbraw/zinc/17/18/70/1320171870.db2.gz WPEWJITXDLDMER-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001160474014 1320171871 /nfs/dbraw/zinc/17/18/71/1320171871.db2.gz WPEWJITXDLDMER-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C[Si](C)(C)C#Cc1cccnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160512400 1320180151 /nfs/dbraw/zinc/18/01/51/1320180151.db2.gz BHRKSOOTWYIPEX-SFHVURJKSA-N 2 1 328.536 2.146 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001160579975 1320204306 /nfs/dbraw/zinc/20/43/06/1320204306.db2.gz BMTORNBKAFSITL-UHFFFAOYSA-N 2 1 336.439 2.418 20 30 EEEDMP C=CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001161986458 1320708877 /nfs/dbraw/zinc/70/88/77/1320708877.db2.gz FTMBYZLBXWYFNI-UHFFFAOYSA-N 2 1 327.472 2.443 20 30 EEEDMP C=CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001161986458 1320708880 /nfs/dbraw/zinc/70/88/80/1320708880.db2.gz FTMBYZLBXWYFNI-UHFFFAOYSA-N 2 1 327.472 2.443 20 30 EEEDMP C=CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001161986458 1320708883 /nfs/dbraw/zinc/70/88/83/1320708883.db2.gz FTMBYZLBXWYFNI-UHFFFAOYSA-N 2 1 327.472 2.443 20 30 EEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001161986458 1320708884 /nfs/dbraw/zinc/70/88/84/1320708884.db2.gz FTMBYZLBXWYFNI-UHFFFAOYSA-N 2 1 327.472 2.443 20 30 EEEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500713 1321398291 /nfs/dbraw/zinc/39/82/91/1321398291.db2.gz BZGGIQYAQUPFAA-GOSISDBHSA-N 2 1 337.508 2.082 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001165545851 1321543739 /nfs/dbraw/zinc/54/37/39/1321543739.db2.gz RUSSAHIERHWKPA-IBGZPJMESA-N 2 1 343.515 2.461 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001165545851 1321543741 /nfs/dbraw/zinc/54/37/41/1321543741.db2.gz RUSSAHIERHWKPA-IBGZPJMESA-N 2 1 343.515 2.461 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205691956 1323248645 /nfs/dbraw/zinc/24/86/45/1323248645.db2.gz KEGBCQXYDIANFY-FUHWJXTLSA-N 2 1 333.451 2.236 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206856869 1323634266 /nfs/dbraw/zinc/63/42/66/1323634266.db2.gz DMLQRXRPYDMJRV-LJQANCHMSA-N 2 1 333.520 2.493 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001206890299 1323673659 /nfs/dbraw/zinc/67/36/59/1323673659.db2.gz KOGXXLZKPUTRKT-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001207757658 1324130696 /nfs/dbraw/zinc/13/06/96/1324130696.db2.gz IYGUEYOLHUUMLJ-IEBWSBKVSA-N 2 1 341.499 2.205 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001207757658 1324130712 /nfs/dbraw/zinc/13/07/12/1324130712.db2.gz IYGUEYOLHUUMLJ-IEBWSBKVSA-N 2 1 341.499 2.205 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001207757658 1324130716 /nfs/dbraw/zinc/13/07/16/1324130716.db2.gz IYGUEYOLHUUMLJ-IEBWSBKVSA-N 2 1 341.499 2.205 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001207757658 1324130721 /nfs/dbraw/zinc/13/07/21/1324130721.db2.gz IYGUEYOLHUUMLJ-IEBWSBKVSA-N 2 1 341.499 2.205 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001208424471 1324490836 /nfs/dbraw/zinc/49/08/36/1324490836.db2.gz ZHFDENIMOJWXNC-VQTJNVASSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CC[N@H+](CC1CC1)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001325513641 1333901702 /nfs/dbraw/zinc/90/17/02/1333901702.db2.gz WKGYVICGEUENJQ-FXAWDEMLSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+](CC1CC1)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001325513641 1333901704 /nfs/dbraw/zinc/90/17/04/1333901704.db2.gz WKGYVICGEUENJQ-FXAWDEMLSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+](CC1CC1)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325513641 1333901705 /nfs/dbraw/zinc/90/17/05/1333901705.db2.gz WKGYVICGEUENJQ-FXAWDEMLSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+](CC1CC1)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001325513641 1333901707 /nfs/dbraw/zinc/90/17/07/1333901707.db2.gz WKGYVICGEUENJQ-FXAWDEMLSA-N 2 1 339.483 2.111 20 30 EEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001100677218 1338630561 /nfs/dbraw/zinc/63/05/61/1338630561.db2.gz BEWDNELVYLSIPJ-AQFXKWCLSA-N 2 1 330.476 2.205 20 30 EEEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200577670 1373055330 /nfs/dbraw/zinc/05/53/30/1373055330.db2.gz CXQWIAHCJWJPGZ-KRWDZBQOSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001389729490 1388272647 /nfs/dbraw/zinc/27/26/47/1388272647.db2.gz OQIBHIUELITIGY-HNNXBMFYSA-N 2 1 327.900 2.394 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CCCC1 ZINC001367317141 1374149163 /nfs/dbraw/zinc/14/91/63/1374149163.db2.gz SJGGUWKMYUBVSG-SFHVURJKSA-N 2 1 340.471 2.171 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC001374556574 1376935006 /nfs/dbraw/zinc/93/50/06/1376935006.db2.gz FCDVLABQZUVRNQ-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001374556574 1376935010 /nfs/dbraw/zinc/93/50/10/1376935010.db2.gz FCDVLABQZUVRNQ-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001377416788 1379223530 /nfs/dbraw/zinc/22/35/30/1379223530.db2.gz RFPVWMLGKVXNMJ-PBHICJAKSA-N 2 1 348.516 2.287 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001377416788 1379223537 /nfs/dbraw/zinc/22/35/37/1379223537.db2.gz RFPVWMLGKVXNMJ-PBHICJAKSA-N 2 1 348.516 2.287 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001378893659 1380243188 /nfs/dbraw/zinc/24/31/88/1380243188.db2.gz COANXJOPRSNMJD-WMLDXEAASA-N 2 1 348.516 2.288 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001394717060 1390744388 /nfs/dbraw/zinc/74/43/88/1390744388.db2.gz RXFLSVDTQGZULO-KGLIPLIRSA-N 2 1 346.313 2.111 20 30 EEEDMP CCN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)C[N@@H+](C)C1CCC1 ZINC001754050405 1406822334 /nfs/dbraw/zinc/82/23/34/1406822334.db2.gz WCMOHHWVALTYCM-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001401141714 1396976126 /nfs/dbraw/zinc/97/61/26/1396976126.db2.gz VFRGNVOPRLGDIJ-KSSFIOAISA-N 2 1 346.450 2.024 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001401285952 1397119845 /nfs/dbraw/zinc/11/98/45/1397119845.db2.gz AVDDZKXTCCECTH-TZMCWYRMSA-N 2 1 346.313 2.063 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001402683201 1398149966 /nfs/dbraw/zinc/14/99/66/1398149966.db2.gz DDNJPBDTFFSINJ-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001755171078 1407182466 /nfs/dbraw/zinc/18/24/66/1407182466.db2.gz JFWGUVRCSMDZTL-IBGZPJMESA-N 2 1 327.472 2.067 20 30 EEEDMP C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001755171078 1407182474 /nfs/dbraw/zinc/18/24/74/1407182474.db2.gz JFWGUVRCSMDZTL-IBGZPJMESA-N 2 1 327.472 2.067 20 30 EEEDMP N#CC1(C[C@H](O)C[N@H+]2Cc3ccccc3OC3(CC[NH2+]CC3)C2)CC1 ZINC001580037878 1403812808 /nfs/dbraw/zinc/81/28/08/1403812808.db2.gz ATRYKENKMOFQBE-KRWDZBQOSA-N 2 1 341.455 2.058 20 30 EEEDMP C[C@]1(CNC(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000691560096 1410397691 /nfs/dbraw/zinc/39/76/91/1410397691.db2.gz JBWNIZWPZKKFTA-IEBWSBKVSA-N 2 1 328.460 2.036 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821201 1410852638 /nfs/dbraw/zinc/85/26/38/1410852638.db2.gz PGEIVUNRKGLZOL-PXNSSMCTSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@@H]21 ZINC001087297773 761518095 /nfs/dbraw/zinc/51/80/95/761518095.db2.gz TUQAMFDJMRAMRZ-KBAYOESNSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@@H]21 ZINC001087297773 761518100 /nfs/dbraw/zinc/51/81/00/761518100.db2.gz TUQAMFDJMRAMRZ-KBAYOESNSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070936 768841433 /nfs/dbraw/zinc/84/14/33/768841433.db2.gz LGAGNFRJWOKTRP-MCIONIFRSA-N 2 1 333.398 2.026 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166567 783011831 /nfs/dbraw/zinc/01/18/31/783011831.db2.gz HYCHHNUVRFTARA-AABGKKOBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166567 783011835 /nfs/dbraw/zinc/01/18/35/783011835.db2.gz HYCHHNUVRFTARA-AABGKKOBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166567 783011839 /nfs/dbraw/zinc/01/18/39/783011839.db2.gz HYCHHNUVRFTARA-AABGKKOBSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H](C)C1 ZINC000942717961 783048419 /nfs/dbraw/zinc/04/84/19/783048419.db2.gz AYQDPDYYOIAUED-NVXWUHKLSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942717961 783048425 /nfs/dbraw/zinc/04/84/25/783048425.db2.gz AYQDPDYYOIAUED-NVXWUHKLSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942717961 783048428 /nfs/dbraw/zinc/04/84/28/783048428.db2.gz AYQDPDYYOIAUED-NVXWUHKLSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942718884 783049585 /nfs/dbraw/zinc/04/95/85/783049585.db2.gz DKAGGCNSWCFAOD-APWZRJJASA-N 2 1 329.488 2.417 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212576 783065632 /nfs/dbraw/zinc/06/56/32/783065632.db2.gz AJDVCSMMESPDGK-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCC[NH+]1CCCC1)C[C@H](C)O2 ZINC001131704716 783083592 /nfs/dbraw/zinc/08/35/92/783083592.db2.gz ZHSIHJGFCOTPIA-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980138970 773928565 /nfs/dbraw/zinc/92/85/65/773928565.db2.gz IEOLWAZQURGSTR-BZSNNMDCSA-N 2 1 336.439 2.188 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485433 774709256 /nfs/dbraw/zinc/70/92/56/774709256.db2.gz JVXDIRSFKASYGY-HZPDHXFCSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485433 774709259 /nfs/dbraw/zinc/70/92/59/774709259.db2.gz JVXDIRSFKASYGY-HZPDHXFCSA-N 2 1 327.900 2.392 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001171247207 790459662 /nfs/dbraw/zinc/45/96/62/790459662.db2.gz JQZKVYOSNUYGGY-ROUUACIJSA-N 2 1 349.523 2.044 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820826 776963650 /nfs/dbraw/zinc/96/36/50/776963650.db2.gz PBULAVMPDSUIBY-MLHJIOFPSA-N 2 1 331.504 2.216 20 30 EEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC000982012601 778862243 /nfs/dbraw/zinc/86/22/43/778862243.db2.gz AWNGXHWWVIJGDQ-LJQANCHMSA-N 2 1 337.483 2.309 20 30 EEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000982012601 778862249 /nfs/dbraw/zinc/86/22/49/778862249.db2.gz AWNGXHWWVIJGDQ-LJQANCHMSA-N 2 1 337.483 2.309 20 30 EEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000982012601 778862255 /nfs/dbraw/zinc/86/22/55/778862255.db2.gz AWNGXHWWVIJGDQ-LJQANCHMSA-N 2 1 337.483 2.309 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000982118356 779130558 /nfs/dbraw/zinc/13/05/58/779130558.db2.gz OAWDCXBZRFFEFG-UHFFFAOYSA-N 2 1 328.460 2.262 20 30 EEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000982118356 779130562 /nfs/dbraw/zinc/13/05/62/779130562.db2.gz OAWDCXBZRFFEFG-UHFFFAOYSA-N 2 1 328.460 2.262 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002919 779655584 /nfs/dbraw/zinc/65/55/84/779655584.db2.gz QMTCCBVTFPLXMR-OAHLLOKOSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002919 779655592 /nfs/dbraw/zinc/65/55/92/779655592.db2.gz QMTCCBVTFPLXMR-OAHLLOKOSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3ccnc3)C[C@@]2(C)C1 ZINC000982417509 780064157 /nfs/dbraw/zinc/06/41/57/780064157.db2.gz HSCOAWZOPHGIBY-CALCHBBNSA-N 2 1 336.867 2.196 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)CCn3ccnc3)C[C@@]2(C)C1 ZINC000982417509 780064166 /nfs/dbraw/zinc/06/41/66/780064166.db2.gz HSCOAWZOPHGIBY-CALCHBBNSA-N 2 1 336.867 2.196 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122207 780868943 /nfs/dbraw/zinc/86/89/43/780868943.db2.gz AZEWQNKAKPOSSY-MCIONIFRSA-N 2 1 333.398 2.026 20 30 EEEDMP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471920 783827031 /nfs/dbraw/zinc/82/70/31/783827031.db2.gz QBJKACVCAFCQAQ-LSDHHAIUSA-N 2 1 334.464 2.333 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035226315 784112727 /nfs/dbraw/zinc/11/27/27/784112727.db2.gz FXLCDPFIRFQVIY-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)CC2 ZINC001035226315 784112731 /nfs/dbraw/zinc/11/27/31/784112731.db2.gz FXLCDPFIRFQVIY-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)CC2 ZINC001035226315 784112738 /nfs/dbraw/zinc/11/27/38/784112738.db2.gz FXLCDPFIRFQVIY-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233479 784145967 /nfs/dbraw/zinc/14/59/67/784145967.db2.gz FDVTZJUPQDKLSN-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233479 784145971 /nfs/dbraw/zinc/14/59/71/784145971.db2.gz FDVTZJUPQDKLSN-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233479 784145975 /nfs/dbraw/zinc/14/59/75/784145975.db2.gz FDVTZJUPQDKLSN-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CC2 ZINC001035778531 785163614 /nfs/dbraw/zinc/16/36/14/785163614.db2.gz HUOODBZGOICQDX-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450857 787271695 /nfs/dbraw/zinc/27/16/95/787271695.db2.gz OJJFEKLYACAKDZ-BFYDXBDKSA-N 2 1 327.900 2.440 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997332150 789606198 /nfs/dbraw/zinc/60/61/98/789606198.db2.gz FDSHGCHHYBOGPP-IEBWSBKVSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904602 789622083 /nfs/dbraw/zinc/62/20/83/789622083.db2.gz LYRTVJVGVIGWKU-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000923559900 789770282 /nfs/dbraw/zinc/77/02/82/789770282.db2.gz LSRXJQRJPBCMAZ-UXHICEINSA-N 2 1 339.483 2.080 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000923559900 789770287 /nfs/dbraw/zinc/77/02/87/789770287.db2.gz LSRXJQRJPBCMAZ-UXHICEINSA-N 2 1 339.483 2.080 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089908303 789782940 /nfs/dbraw/zinc/78/29/40/789782940.db2.gz SNOBTSQNZKHPNA-OKYOBFRVSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000846132135 790059897 /nfs/dbraw/zinc/05/98/97/790059897.db2.gz UYLAFQTXKBRJMH-AEFFLSMTSA-N 2 1 347.890 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000846132135 790059898 /nfs/dbraw/zinc/05/98/98/790059898.db2.gz UYLAFQTXKBRJMH-AEFFLSMTSA-N 2 1 347.890 2.199 20 30 EEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001171235312 790255583 /nfs/dbraw/zinc/25/55/83/790255583.db2.gz GWPUYTQNJLZJCX-WMZOPIPTSA-N 2 1 337.508 2.080 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146334464 791179191 /nfs/dbraw/zinc/17/91/91/791179191.db2.gz XOMQAOIAYXAVGM-OLZOCXBDSA-N 2 1 345.472 2.198 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998029587 791854963 /nfs/dbraw/zinc/85/49/63/791854963.db2.gz GMBVRJFRFHOGQB-MSOLQXFVSA-N 2 1 342.487 2.487 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998029587 791854966 /nfs/dbraw/zinc/85/49/66/791854966.db2.gz GMBVRJFRFHOGQB-MSOLQXFVSA-N 2 1 342.487 2.487 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001148154044 792193104 /nfs/dbraw/zinc/19/31/04/792193104.db2.gz ZLQHJXPHSKVDEH-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001148154044 792193110 /nfs/dbraw/zinc/19/31/10/792193110.db2.gz ZLQHJXPHSKVDEH-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC2(CCOCC2)C1 ZINC001089939406 793762233 /nfs/dbraw/zinc/76/22/33/793762233.db2.gz PCUGHSVBBJKMQU-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992409719 793995102 /nfs/dbraw/zinc/99/51/02/793995102.db2.gz UDKAKDBSIXEMON-FPOVZHCZSA-N 2 1 343.515 2.245 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164244 794068425 /nfs/dbraw/zinc/06/84/25/794068425.db2.gz CDQNMNYQAPXYQZ-KRWDZBQOSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164244 794068428 /nfs/dbraw/zinc/06/84/28/794068428.db2.gz CDQNMNYQAPXYQZ-KRWDZBQOSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001112540316 794133432 /nfs/dbraw/zinc/13/34/32/794133432.db2.gz PVOVFLGDPHIHSZ-ZJOUEHCJSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079174801 794409871 /nfs/dbraw/zinc/40/98/71/794409871.db2.gz IBPHSQZNZFVCPV-IPMKNSEASA-N 2 1 345.462 2.380 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992503258 794430688 /nfs/dbraw/zinc/43/06/88/794430688.db2.gz DSNQVMVMYMLKJC-TZIWHRDSSA-N 2 1 339.483 2.498 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCC(C)C)CC3)CC1 ZINC000992502237 794436636 /nfs/dbraw/zinc/43/66/36/794436636.db2.gz BBEULVHARCPPND-PZJWPPBQSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093383995 795127749 /nfs/dbraw/zinc/12/77/49/795127749.db2.gz RTPCWCLIOLJSJZ-QZTJIDSGSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093383995 795127753 /nfs/dbraw/zinc/12/77/53/795127753.db2.gz RTPCWCLIOLJSJZ-QZTJIDSGSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093383995 795127757 /nfs/dbraw/zinc/12/77/57/795127757.db2.gz RTPCWCLIOLJSJZ-QZTJIDSGSA-N 2 1 331.504 2.217 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203453192 796299178 /nfs/dbraw/zinc/29/91/78/796299178.db2.gz RNDQGINYDJVGBR-HZPDHXFCSA-N 2 1 328.460 2.047 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203453622 796396317 /nfs/dbraw/zinc/39/63/17/796396317.db2.gz UGWVOQGCFGOTJV-JKSUJKDBSA-N 2 1 328.460 2.047 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081673050 796846986 /nfs/dbraw/zinc/84/69/86/796846986.db2.gz VGBRNOLCTDAOFT-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081673050 796846991 /nfs/dbraw/zinc/84/69/91/796846991.db2.gz VGBRNOLCTDAOFT-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081673050 796846997 /nfs/dbraw/zinc/84/69/97/796846997.db2.gz VGBRNOLCTDAOFT-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)[C@@H]2C)CC1 ZINC000994498554 798095794 /nfs/dbraw/zinc/09/57/94/798095794.db2.gz NBMKCTBVRLTGCC-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001084852425 798502358 /nfs/dbraw/zinc/50/23/58/798502358.db2.gz YXBSWWWVHZSFIG-IEBWSBKVSA-N 2 1 327.472 2.471 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853326 798505509 /nfs/dbraw/zinc/50/55/09/798505509.db2.gz IHGBFSLOZWOQQS-GUDVDZBRSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853326 798505512 /nfs/dbraw/zinc/50/55/12/798505512.db2.gz IHGBFSLOZWOQQS-GUDVDZBRSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978247 798591494 /nfs/dbraw/zinc/59/14/94/798591494.db2.gz FFSFQRQLEFXDJR-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978247 798591496 /nfs/dbraw/zinc/59/14/96/798591496.db2.gz FFSFQRQLEFXDJR-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978247 798591497 /nfs/dbraw/zinc/59/14/97/798591497.db2.gz FFSFQRQLEFXDJR-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001176986366 798675324 /nfs/dbraw/zinc/67/53/24/798675324.db2.gz LVXLFJOLZLGSLY-SFHVURJKSA-N 2 1 346.450 2.168 20 30 EEEDMP CC#CC[NH2+]CCCCCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001179589762 799995832 /nfs/dbraw/zinc/99/58/32/799995832.db2.gz AOGUDWULGZGWDZ-UHFFFAOYSA-N 2 1 346.475 2.174 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001180259741 800336490 /nfs/dbraw/zinc/33/64/90/800336490.db2.gz KWLLWJYNPGPGQI-IBGZPJMESA-N 2 1 342.487 2.276 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085313001 800348702 /nfs/dbraw/zinc/34/87/02/800348702.db2.gz FOIZBNJGGSXCAC-CGTJXYLNSA-N 2 1 330.476 2.347 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181467692 800798054 /nfs/dbraw/zinc/79/80/54/800798054.db2.gz AWCULRNUVWXRCW-LVCYWYKZSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001085639726 800950962 /nfs/dbraw/zinc/95/09/62/800950962.db2.gz UVWWWYCCFRMOOV-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085639726 800950967 /nfs/dbraw/zinc/95/09/67/800950967.db2.gz UVWWWYCCFRMOOV-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001085639726 800950971 /nfs/dbraw/zinc/95/09/71/800950971.db2.gz UVWWWYCCFRMOOV-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001183759902 801724077 /nfs/dbraw/zinc/72/40/77/801724077.db2.gz QMQGEHQGTMYZCF-MRXNPFEDSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004432711 802041911 /nfs/dbraw/zinc/04/19/11/802041911.db2.gz DRTUZXKUQCKZKP-RTBURBONSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004432711 802041920 /nfs/dbraw/zinc/04/19/20/802041920.db2.gz DRTUZXKUQCKZKP-RTBURBONSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004432711 802041930 /nfs/dbraw/zinc/04/19/30/802041930.db2.gz DRTUZXKUQCKZKP-RTBURBONSA-N 2 1 331.504 2.195 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108076245 802300385 /nfs/dbraw/zinc/30/03/85/802300385.db2.gz JHUICFGRTNFCRQ-IBGZPJMESA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108076245 802300393 /nfs/dbraw/zinc/30/03/93/802300393.db2.gz JHUICFGRTNFCRQ-IBGZPJMESA-N 2 1 348.491 2.145 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185235097 802435860 /nfs/dbraw/zinc/43/58/60/802435860.db2.gz MCDOTZJGKGXKPS-ZWKOTPCHSA-N 2 1 344.503 2.494 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642879 802552482 /nfs/dbraw/zinc/55/24/82/802552482.db2.gz TUDZIXJQOGJNAS-HCXYKTFWSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642879 802552489 /nfs/dbraw/zinc/55/24/89/802552489.db2.gz TUDZIXJQOGJNAS-HCXYKTFWSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642879 802552494 /nfs/dbraw/zinc/55/24/94/802552494.db2.gz TUDZIXJQOGJNAS-HCXYKTFWSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001086500337 803131889 /nfs/dbraw/zinc/13/18/89/803131889.db2.gz XKQFSLWSTLCDDT-FPCVCCKLSA-N 2 1 325.884 2.240 20 30 EEEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCOCC1)C2 ZINC001108778297 804498401 /nfs/dbraw/zinc/49/84/01/804498401.db2.gz MZJACLRGLUMXAW-FHWLQOOXSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607795 809748712 /nfs/dbraw/zinc/74/87/12/809748712.db2.gz SSNWXLQPHGTALQ-RBUKOAKNSA-N 2 1 327.472 2.098 20 30 EEEDMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001130614812 811844143 /nfs/dbraw/zinc/84/41/43/811844143.db2.gz FKESVLSYXFANQS-UHFFFAOYSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480379966 1100170469 /nfs/dbraw/zinc/17/04/69/1100170469.db2.gz NYSATULWVPSJHE-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001480379966 1100170472 /nfs/dbraw/zinc/17/04/72/1100170472.db2.gz NYSATULWVPSJHE-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001480379966 1100170475 /nfs/dbraw/zinc/17/04/75/1100170475.db2.gz NYSATULWVPSJHE-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)Cc1ccccc1C#N ZINC001448053714 1103904064 /nfs/dbraw/zinc/90/40/64/1103904064.db2.gz LJKSMVJDPODHJO-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)Cc1ccccc1C#N ZINC001448053714 1103904066 /nfs/dbraw/zinc/90/40/66/1103904066.db2.gz LJKSMVJDPODHJO-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1ccc(C#N)cc1F ZINC001505935699 1114288854 /nfs/dbraw/zinc/28/88/54/1114288854.db2.gz MPFLACWKSJIZLD-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1ccc(C#N)cc1F ZINC001505935699 1114288856 /nfs/dbraw/zinc/28/88/56/1114288856.db2.gz MPFLACWKSJIZLD-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001505935699 1114288860 /nfs/dbraw/zinc/28/88/60/1114288860.db2.gz MPFLACWKSJIZLD-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001505935699 1114288862 /nfs/dbraw/zinc/28/88/62/1114288862.db2.gz MPFLACWKSJIZLD-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158967401 206219285 /nfs/dbraw/zinc/21/92/85/206219285.db2.gz NTPWYRLOHYCAKG-SJORKVTESA-N 2 1 329.444 2.362 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158967401 206219289 /nfs/dbraw/zinc/21/92/89/206219289.db2.gz NTPWYRLOHYCAKG-SJORKVTESA-N 2 1 329.444 2.362 20 30 EEEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158967401 206219293 /nfs/dbraw/zinc/21/92/93/206219293.db2.gz NTPWYRLOHYCAKG-SJORKVTESA-N 2 1 329.444 2.362 20 30 EEEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158967401 206219296 /nfs/dbraw/zinc/21/92/96/206219296.db2.gz NTPWYRLOHYCAKG-SJORKVTESA-N 2 1 329.444 2.362 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000491744509 533105975 /nfs/dbraw/zinc/10/59/75/533105975.db2.gz JFHVRKLFLGOOAC-GOSISDBHSA-N 2 1 345.462 2.109 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000491744509 533105978 /nfs/dbraw/zinc/10/59/78/533105978.db2.gz JFHVRKLFLGOOAC-GOSISDBHSA-N 2 1 345.462 2.109 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000491744509 533105982 /nfs/dbraw/zinc/10/59/82/533105982.db2.gz JFHVRKLFLGOOAC-GOSISDBHSA-N 2 1 345.462 2.109 20 30 EEEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000491504551 533163781 /nfs/dbraw/zinc/16/37/81/533163781.db2.gz IJYHDQYNJGUUHU-KRWDZBQOSA-N 2 1 327.472 2.290 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000369398900 166253222 /nfs/dbraw/zinc/25/32/22/166253222.db2.gz QUMNBIZWFNXMJJ-LJQANCHMSA-N 2 1 342.487 2.037 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000329170327 465255751 /nfs/dbraw/zinc/25/57/51/465255751.db2.gz JMQKVDMZNASQSY-RDJZCZTQSA-N 3 1 333.480 2.207 20 30 EEEDMP CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000329170327 465255756 /nfs/dbraw/zinc/25/57/56/465255756.db2.gz JMQKVDMZNASQSY-RDJZCZTQSA-N 3 1 333.480 2.207 20 30 EEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129106412 462690218 /nfs/dbraw/zinc/69/02/18/462690218.db2.gz LZJWSRZVEXVJOR-WMZOPIPTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129106412 462690223 /nfs/dbraw/zinc/69/02/23/462690223.db2.gz LZJWSRZVEXVJOR-WMZOPIPTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129106412 462690226 /nfs/dbraw/zinc/69/02/26/462690226.db2.gz LZJWSRZVEXVJOR-WMZOPIPTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261994241 463920273 /nfs/dbraw/zinc/92/02/73/463920273.db2.gz RZYDKMHEFVMWHE-UQSIQIAASA-N 2 1 338.499 2.220 20 30 EEEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N[C@@H]1CCOc2ccccc21 ZINC000262777592 464045607 /nfs/dbraw/zinc/04/56/07/464045607.db2.gz KGCIALBMTNHPAF-QAPCUYQASA-N 2 1 348.516 2.113 20 30 EEEDMP C[C@H](CCNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCCCC1 ZINC000329908352 465470082 /nfs/dbraw/zinc/47/00/82/465470082.db2.gz UIEUPBBNECNGTM-CVEARBPZSA-N 2 1 333.480 2.214 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(C)(C)C)nc1 ZINC000272210533 464519318 /nfs/dbraw/zinc/51/93/18/464519318.db2.gz NZAKPGWIHWYOEA-OAHLLOKOSA-N 2 1 333.480 2.148 20 30 EEEDMP C=CCNC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285383413 464543928 /nfs/dbraw/zinc/54/39/28/464543928.db2.gz BOYWIDWPIWJJEO-FXAWDEMLSA-N 2 1 327.472 2.275 20 30 EEEDMP C[C@@H]1[C@H](C)N(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC[N@@H+]1C ZINC000330893380 465849786 /nfs/dbraw/zinc/84/97/86/465849786.db2.gz QUDQEUVTTDDZJP-OLZOCXBDSA-N 2 1 347.463 2.201 20 30 EEEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424138068 466987514 /nfs/dbraw/zinc/98/75/14/466987514.db2.gz BSMQLRMQDKRIAP-DYVFJYSZSA-N 2 1 325.416 2.379 20 30 EEEDMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424153434 466991674 /nfs/dbraw/zinc/99/16/74/466991674.db2.gz KZOCCESHIHTHNO-RTBURBONSA-N 2 1 342.487 2.378 20 30 EEEDMP N#CC1(C[C@H](O)C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528509513 467691427 /nfs/dbraw/zinc/69/14/27/467691427.db2.gz PWBVPLCJNPORMW-AABGKKOBSA-N 2 1 339.483 2.495 20 30 EEEDMP N#CC1(C[C@H](O)C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528509513 467691434 /nfs/dbraw/zinc/69/14/34/467691434.db2.gz PWBVPLCJNPORMW-AABGKKOBSA-N 2 1 339.483 2.495 20 30 EEEDMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437802 468586970 /nfs/dbraw/zinc/58/69/70/468586970.db2.gz KXSBYJHBHCQTJE-FUHWJXTLSA-N 2 1 328.460 2.131 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437802 468586976 /nfs/dbraw/zinc/58/69/76/468586976.db2.gz KXSBYJHBHCQTJE-FUHWJXTLSA-N 2 1 328.460 2.131 20 30 EEEDMP C[C@H]1C[C@]1(C#N)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000560167526 468771010 /nfs/dbraw/zinc/77/10/10/468771010.db2.gz JCICIEGFLQKAOI-OXJNMPFZSA-N 2 1 346.519 2.191 20 30 EEEDMP C[C@@H]1CC(=NNC(=S)NCCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000757574126 577860419 /nfs/dbraw/zinc/86/04/19/577860419.db2.gz HFNLJSYJVQZTSK-OAHLLOKOSA-N 2 1 347.532 2.053 20 30 EEEDMP C[C@@H]1CC(=NNC(=S)NCCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000757574126 577860420 /nfs/dbraw/zinc/86/04/20/577860420.db2.gz HFNLJSYJVQZTSK-OAHLLOKOSA-N 2 1 347.532 2.053 20 30 EEEDMP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000949379086 676177282 /nfs/dbraw/zinc/17/72/82/676177282.db2.gz MUCUUDCTTNDNMQ-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC000949379086 676177284 /nfs/dbraw/zinc/17/72/84/676177284.db2.gz MUCUUDCTTNDNMQ-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC000949379086 676177287 /nfs/dbraw/zinc/17/72/87/676177287.db2.gz MUCUUDCTTNDNMQ-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740859 676400330 /nfs/dbraw/zinc/40/03/30/676400330.db2.gz WTLDJJQLFZVEMB-MOPGFXCFSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473617 676879488 /nfs/dbraw/zinc/87/94/88/676879488.db2.gz OAEGQJBTFNXCOO-CABCVRRESA-N 2 1 334.464 2.285 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473617 676879490 /nfs/dbraw/zinc/87/94/90/676879490.db2.gz OAEGQJBTFNXCOO-CABCVRRESA-N 2 1 334.464 2.285 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC000972354836 678595026 /nfs/dbraw/zinc/59/50/26/678595026.db2.gz PWMAMWJCLKAGSG-WMZOPIPTSA-N 2 1 346.450 2.070 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001023125515 679135033 /nfs/dbraw/zinc/13/50/33/679135033.db2.gz RROWFXATDLQRGK-NMWPEEMBSA-N 2 1 346.500 2.229 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001023451106 679316276 /nfs/dbraw/zinc/31/62/76/679316276.db2.gz FVYYFVNUAYYJLR-CVEARBPZSA-N 2 1 330.476 2.227 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001023451106 679316279 /nfs/dbraw/zinc/31/62/79/679316279.db2.gz FVYYFVNUAYYJLR-CVEARBPZSA-N 2 1 330.476 2.227 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001023553995 679374773 /nfs/dbraw/zinc/37/47/73/679374773.db2.gz DUABFHQASCBPFE-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696402 679486686 /nfs/dbraw/zinc/48/66/86/679486686.db2.gz MFUQEFKOWFGRAN-RTBURBONSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023696402 679486687 /nfs/dbraw/zinc/48/66/87/679486687.db2.gz MFUQEFKOWFGRAN-RTBURBONSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023696402 679486689 /nfs/dbraw/zinc/48/66/89/679486689.db2.gz MFUQEFKOWFGRAN-RTBURBONSA-N 2 1 333.520 2.493 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001024366762 679883845 /nfs/dbraw/zinc/88/38/45/679883845.db2.gz VFOYBOAARHEBJJ-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001024366762 679883846 /nfs/dbraw/zinc/88/38/46/679883846.db2.gz VFOYBOAARHEBJJ-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001024366762 679883847 /nfs/dbraw/zinc/88/38/47/679883847.db2.gz VFOYBOAARHEBJJ-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001024516780 680022434 /nfs/dbraw/zinc/02/24/34/680022434.db2.gz NPKKWZDGFSXFPS-HZPDHXFCSA-N 2 1 330.476 2.370 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001024516780 680022440 /nfs/dbraw/zinc/02/24/40/680022440.db2.gz NPKKWZDGFSXFPS-HZPDHXFCSA-N 2 1 330.476 2.370 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001028601583 681350069 /nfs/dbraw/zinc/35/00/69/681350069.db2.gz QPRUWFFQIFIOMM-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001028601583 681350071 /nfs/dbraw/zinc/35/00/71/681350071.db2.gz QPRUWFFQIFIOMM-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028601583 681350075 /nfs/dbraw/zinc/35/00/75/681350075.db2.gz QPRUWFFQIFIOMM-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028601583 681350078 /nfs/dbraw/zinc/35/00/78/681350078.db2.gz QPRUWFFQIFIOMM-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001024801244 681453951 /nfs/dbraw/zinc/45/39/51/681453951.db2.gz LNMKPDUCBQSIEF-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001024801244 681453955 /nfs/dbraw/zinc/45/39/55/681453955.db2.gz LNMKPDUCBQSIEF-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001024801244 681453959 /nfs/dbraw/zinc/45/39/59/681453959.db2.gz LNMKPDUCBQSIEF-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001024801244 681453963 /nfs/dbraw/zinc/45/39/63/681453963.db2.gz LNMKPDUCBQSIEF-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261730098 681707491 /nfs/dbraw/zinc/70/74/91/681707491.db2.gz LKIITQQFMFNYSA-BHIYHBOVSA-N 2 1 348.535 2.185 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001025279440 682388145 /nfs/dbraw/zinc/38/81/45/682388145.db2.gz BQLHADYJQVNING-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028916545 682477554 /nfs/dbraw/zinc/47/75/54/682477554.db2.gz PGMRKUXSFUASLC-MRXNPFEDSA-N 2 1 339.911 2.299 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028916545 682477557 /nfs/dbraw/zinc/47/75/57/682477557.db2.gz PGMRKUXSFUASLC-MRXNPFEDSA-N 2 1 339.911 2.299 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]12 ZINC001026368342 684462383 /nfs/dbraw/zinc/46/23/83/684462383.db2.gz OEZZBCTZFDFDGS-IXDOHACOSA-N 2 1 330.476 2.409 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001026401045 684567996 /nfs/dbraw/zinc/56/79/96/684567996.db2.gz UBWQIKXXIGGGRZ-BFHYXJOUSA-N 2 1 336.867 2.266 20 30 EEEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001026547964 684731893 /nfs/dbraw/zinc/73/18/93/684731893.db2.gz JQFGYCRGLVEDCX-TVPLGVNVSA-N 2 1 331.504 2.434 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccsc2)CC1(C)C ZINC000974683049 685231054 /nfs/dbraw/zinc/23/10/54/685231054.db2.gz BFWDINFTTAETHD-IRXDYDNUSA-N 2 1 345.512 2.172 20 30 EEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000985655594 687404951 /nfs/dbraw/zinc/40/49/51/687404951.db2.gz ULXXBBHTMGBRGF-INIZCTEOSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000985655594 687404953 /nfs/dbraw/zinc/40/49/53/687404953.db2.gz ULXXBBHTMGBRGF-INIZCTEOSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000986962586 689132020 /nfs/dbraw/zinc/13/20/20/689132020.db2.gz TUZABXAJSVYONY-GOEBONIOSA-N 2 1 332.448 2.039 20 30 EEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541928 692788315 /nfs/dbraw/zinc/78/83/15/692788315.db2.gz DGDINJRXENBCRR-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027541928 692788318 /nfs/dbraw/zinc/78/83/18/692788318.db2.gz DGDINJRXENBCRR-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027541928 692788322 /nfs/dbraw/zinc/78/83/22/692788322.db2.gz DGDINJRXENBCRR-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990664068 693170964 /nfs/dbraw/zinc/17/09/64/693170964.db2.gz SSQILJFQKVBRAS-YFVAEKQCSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990664068 693170968 /nfs/dbraw/zinc/17/09/68/693170968.db2.gz SSQILJFQKVBRAS-YFVAEKQCSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990664068 693170972 /nfs/dbraw/zinc/17/09/72/693170972.db2.gz SSQILJFQKVBRAS-YFVAEKQCSA-N 2 1 343.515 2.387 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978421631 693588477 /nfs/dbraw/zinc/58/84/77/693588477.db2.gz XPSDJIPWDNFMGI-OKYOBFRVSA-N 2 1 333.520 2.367 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978421631 693588480 /nfs/dbraw/zinc/58/84/80/693588480.db2.gz XPSDJIPWDNFMGI-OKYOBFRVSA-N 2 1 333.520 2.367 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978421631 693588481 /nfs/dbraw/zinc/58/84/81/693588481.db2.gz XPSDJIPWDNFMGI-OKYOBFRVSA-N 2 1 333.520 2.367 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943515443 1192325937 /nfs/dbraw/zinc/32/59/37/1192325937.db2.gz GVQHWPZRWNBLKF-LPHOPBHVSA-N 2 1 327.472 2.212 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001754745087 1179314438 /nfs/dbraw/zinc/31/44/38/1179314438.db2.gz TUXBZERIPDYGBO-HNNXBMFYSA-N 2 1 329.435 2.122 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCCC=C)C1 ZINC001752508062 1181915893 /nfs/dbraw/zinc/91/58/93/1181915893.db2.gz LPOPZCGKJZHLGU-OALUTQOASA-N 2 1 331.504 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CCCC=C)C1 ZINC001752508062 1181915896 /nfs/dbraw/zinc/91/58/96/1181915896.db2.gz LPOPZCGKJZHLGU-OALUTQOASA-N 2 1 331.504 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCCC=C)C1 ZINC001752508062 1181915901 /nfs/dbraw/zinc/91/59/01/1181915901.db2.gz LPOPZCGKJZHLGU-OALUTQOASA-N 2 1 331.504 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCCC=C)C1 ZINC001752508062 1181915902 /nfs/dbraw/zinc/91/59/02/1181915902.db2.gz LPOPZCGKJZHLGU-OALUTQOASA-N 2 1 331.504 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCCC=C)C1 ZINC001752508062 1181915907 /nfs/dbraw/zinc/91/59/07/1181915907.db2.gz LPOPZCGKJZHLGU-OALUTQOASA-N 2 1 331.504 2.221 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569018 1187408490 /nfs/dbraw/zinc/40/84/90/1187408490.db2.gz DPXIVUWUWYLXIH-AOIWGVFYSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569018 1187408492 /nfs/dbraw/zinc/40/84/92/1187408492.db2.gz DPXIVUWUWYLXIH-AOIWGVFYSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569018 1187408493 /nfs/dbraw/zinc/40/84/93/1187408493.db2.gz DPXIVUWUWYLXIH-AOIWGVFYSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+]2CCOCC2)CCC1 ZINC001105568374 1188182203 /nfs/dbraw/zinc/18/22/03/1188182203.db2.gz NJPLBRGPLZGSJX-SFHVURJKSA-N 2 1 349.519 2.036 20 30 EEEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)cc1 ZINC001272910921 1193601311 /nfs/dbraw/zinc/60/13/11/1193601311.db2.gz HAAZHYOAPKIGIA-HXUWFJFHSA-N 2 1 340.471 2.077 20 30 EEEDMP C#CCN1CC2(CCC1=O)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001272672590 1191013726 /nfs/dbraw/zinc/01/37/26/1191013726.db2.gz IFRUJELMDIQPHO-UHFFFAOYSA-N 2 1 336.439 2.401 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C ZINC001483916156 1191115458 /nfs/dbraw/zinc/11/54/58/1191115458.db2.gz MCIBQPHQGQXJPP-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001484047058 1191178102 /nfs/dbraw/zinc/17/81/02/1191178102.db2.gz DXBSBTMZOGDNEJ-SFHVURJKSA-N 2 1 346.500 2.185 20 30 EEEDMP C[N@@H+](CC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001484047058 1191178105 /nfs/dbraw/zinc/17/81/05/1191178105.db2.gz DXBSBTMZOGDNEJ-SFHVURJKSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+](CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001484047058 1191178107 /nfs/dbraw/zinc/17/81/07/1191178107.db2.gz DXBSBTMZOGDNEJ-SFHVURJKSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001484047058 1191178109 /nfs/dbraw/zinc/17/81/09/1191178109.db2.gz DXBSBTMZOGDNEJ-SFHVURJKSA-N 2 1 346.500 2.185 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001484745553 1191496355 /nfs/dbraw/zinc/49/63/55/1191496355.db2.gz KDDOPLKWGBDPHX-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033440956 1194571088 /nfs/dbraw/zinc/57/10/88/1194571088.db2.gz WZNMDYYZNDDROJ-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033440956 1194571092 /nfs/dbraw/zinc/57/10/92/1194571092.db2.gz WZNMDYYZNDDROJ-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC001034138111 1195810815 /nfs/dbraw/zinc/81/08/15/1195810815.db2.gz NSXFTRPLUXOMAT-WMLDXEAASA-N 2 1 346.500 2.185 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001410890000 1198541561 /nfs/dbraw/zinc/54/15/61/1198541561.db2.gz SAYLBDYPVZBMKI-PBHICJAKSA-N 2 1 346.450 2.118 20 30 EEEDMP CCCOc1cccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000135109593 1202338160 /nfs/dbraw/zinc/33/81/60/1202338160.db2.gz OMDFWCXGCNCNAT-KRWDZBQOSA-N 2 1 332.492 2.407 20 30 EEEDMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001274958373 1205220061 /nfs/dbraw/zinc/22/00/61/1205220061.db2.gz BTMKZPVLWSSLHK-SFHVURJKSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001275975204 1205612137 /nfs/dbraw/zinc/61/21/37/1205612137.db2.gz NZJAHOLPAUEPEB-CTNGQTDRSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001275975205 1205612158 /nfs/dbraw/zinc/61/21/58/1205612158.db2.gz NZJAHOLPAUEPEB-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947722854 1208686978 /nfs/dbraw/zinc/68/69/78/1208686978.db2.gz MHLSYOHEMBCYRJ-LPHOPBHVSA-N 2 1 327.472 2.007 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000948432442 1209135129 /nfs/dbraw/zinc/13/51/29/1209135129.db2.gz GWYITFHVAICDHP-MJGOQNOKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000948432442 1209135132 /nfs/dbraw/zinc/13/51/32/1209135132.db2.gz GWYITFHVAICDHP-MJGOQNOKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000948432442 1209135135 /nfs/dbraw/zinc/13/51/35/1209135135.db2.gz GWYITFHVAICDHP-MJGOQNOKSA-N 2 1 349.519 2.129 20 30 EEEDMP CCN(CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1cccc(C)c1 ZINC000303786746 1213905136 /nfs/dbraw/zinc/90/51/36/1213905136.db2.gz RPBBBSOBSVUYNL-SFHVURJKSA-N 2 1 331.508 2.210 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303885725 1213920826 /nfs/dbraw/zinc/92/08/26/1213920826.db2.gz JYUWEPPZCAXORR-ZWKOTPCHSA-N 3 1 337.556 2.132 20 30 EEEDMP CC(C)NC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000303889600 1213921634 /nfs/dbraw/zinc/92/16/34/1213921634.db2.gz PNVSNIUPOPQTQF-UHFFFAOYSA-N 2 1 337.899 2.165 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552469 1215203897 /nfs/dbraw/zinc/20/38/97/1215203897.db2.gz QSYOMXNFIHXEDX-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCSc1nccs1 ZINC000304758458 1216103111 /nfs/dbraw/zinc/10/31/11/1216103111.db2.gz QAXGYHFPOQBKST-GFCCVEGCSA-N 2 1 327.523 2.014 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961248294 1217108375 /nfs/dbraw/zinc/10/83/75/1217108375.db2.gz DQBDPTWKFWVGEA-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253575 1217111664 /nfs/dbraw/zinc/11/16/64/1217111664.db2.gz QOIZPPZRDPDDFO-UXHICEINSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000963902165 1218114408 /nfs/dbraw/zinc/11/44/08/1218114408.db2.gz FXDLLADPEBTZOW-LADRWXRNSA-N 2 1 337.483 2.191 20 30 EEEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968866093 1221632161 /nfs/dbraw/zinc/63/21/61/1221632161.db2.gz AELACMAHJDUPJE-OWCLPIDISA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968866093 1221632164 /nfs/dbraw/zinc/63/21/64/1221632164.db2.gz AELACMAHJDUPJE-OWCLPIDISA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968866093 1221632166 /nfs/dbraw/zinc/63/21/66/1221632166.db2.gz AELACMAHJDUPJE-OWCLPIDISA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968866093 1221632169 /nfs/dbraw/zinc/63/21/69/1221632169.db2.gz AELACMAHJDUPJE-OWCLPIDISA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC000968965853 1221704417 /nfs/dbraw/zinc/70/44/17/1221704417.db2.gz ZXQHJWAOQZVJSU-LJQANCHMSA-N 2 1 341.499 2.398 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001009624864 1223306914 /nfs/dbraw/zinc/30/69/14/1223306914.db2.gz BAXJAKWXDMUEFL-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016663468 1226747641 /nfs/dbraw/zinc/74/76/41/1226747641.db2.gz RQXFPOHVNRFSSZ-RBUKOAKNSA-N 2 1 343.515 2.387 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016663466 1226747673 /nfs/dbraw/zinc/74/76/73/1226747673.db2.gz RQXFPOHVNRFSSZ-OALUTQOASA-N 2 1 343.515 2.387 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016788592 1226878094 /nfs/dbraw/zinc/87/80/94/1226878094.db2.gz BRNFXNIOZXBPQF-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2CC)C1 ZINC001020250877 1229583171 /nfs/dbraw/zinc/58/31/71/1229583171.db2.gz VKWPSQQMZXVBES-UFYCRDLUSA-N 2 1 339.483 2.083 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2CC)C1 ZINC001020250877 1229583175 /nfs/dbraw/zinc/58/31/75/1229583175.db2.gz VKWPSQQMZXVBES-UFYCRDLUSA-N 2 1 339.483 2.083 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137356 1230349876 /nfs/dbraw/zinc/34/98/76/1230349876.db2.gz GTCPDDWVLBPWLM-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137356 1230349881 /nfs/dbraw/zinc/34/98/81/1230349881.db2.gz GTCPDDWVLBPWLM-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137356 1230349887 /nfs/dbraw/zinc/34/98/87/1230349887.db2.gz GTCPDDWVLBPWLM-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CC[N@H+](C(C)C)C3)CC2)CC1 ZINC001039182100 1230408684 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HDFOIFISPBPODR-PZJWPPBQSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313572 1231164596 /nfs/dbraw/zinc/16/45/96/1231164596.db2.gz LLBORBJCBRMQAU-TZIWHRDSSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357665 1231518909 /nfs/dbraw/zinc/51/89/09/1231518909.db2.gz IBKHVXMDUHMSBF-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357665 1231518912 /nfs/dbraw/zinc/51/89/12/1231518912.db2.gz IBKHVXMDUHMSBF-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357665 1231518915 /nfs/dbraw/zinc/51/89/15/1231518915.db2.gz IBKHVXMDUHMSBF-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041681030 1231648482 /nfs/dbraw/zinc/64/84/82/1231648482.db2.gz WSUUCGMQFNOMSS-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041681030 1231648484 /nfs/dbraw/zinc/64/84/84/1231648484.db2.gz WSUUCGMQFNOMSS-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268419 1231993681 /nfs/dbraw/zinc/99/36/81/1231993681.db2.gz CZVMYDDZFFSTCR-QUCCMNQESA-N 2 1 339.483 2.308 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042368454 1232050275 /nfs/dbraw/zinc/05/02/75/1232050275.db2.gz QMEMAHAAXRLMLV-FXAWDEMLSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045940945 1234198187 /nfs/dbraw/zinc/19/81/87/1234198187.db2.gz GASVRHMBYMYKSC-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045940945 1234198188 /nfs/dbraw/zinc/19/81/88/1234198188.db2.gz GASVRHMBYMYKSC-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045940945 1234198190 /nfs/dbraw/zinc/19/81/90/1234198190.db2.gz GASVRHMBYMYKSC-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046317946 1234662893 /nfs/dbraw/zinc/66/28/93/1234662893.db2.gz JITSMIYMQUCQPO-FXAWDEMLSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046317946 1234662895 /nfs/dbraw/zinc/66/28/95/1234662895.db2.gz JITSMIYMQUCQPO-FXAWDEMLSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046317946 1234662899 /nfs/dbraw/zinc/66/28/99/1234662899.db2.gz JITSMIYMQUCQPO-FXAWDEMLSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046963985 1235364692 /nfs/dbraw/zinc/36/46/92/1235364692.db2.gz KZKDOVXTZGYSCR-JKSUJKDBSA-N 2 1 343.462 2.368 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 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ZINC001048556567 1237955235 /nfs/dbraw/zinc/95/52/35/1237955235.db2.gz MOCMMBOQJCENAL-FKSLSLAPSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820348 1238738501 /nfs/dbraw/zinc/73/85/01/1238738501.db2.gz GEODWNDXOMVUKV-GBESFXJTSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820348 1238738490 /nfs/dbraw/zinc/73/84/90/1238738490.db2.gz GEODWNDXOMVUKV-GBESFXJTSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820348 1238738517 /nfs/dbraw/zinc/73/85/17/1238738517.db2.gz GEODWNDXOMVUKV-GBESFXJTSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]2C1 ZINC001048960931 1239582867 /nfs/dbraw/zinc/58/28/67/1239582867.db2.gz QZSWMXLGSJHNLK-KDURUIRLSA-N 2 1 341.499 2.371 20 30 EEEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000687740 1240737541 /nfs/dbraw/zinc/73/75/41/1240737541.db2.gz HTTRHWWHRXSPSY-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821032 1242308389 /nfs/dbraw/zinc/30/83/89/1242308389.db2.gz QXTNCTTWIBMIHZ-OALUTQOASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913388 1242675156 /nfs/dbraw/zinc/67/51/56/1242675156.db2.gz WPRXRMBYBQXWMY-MOPGFXCFSA-N 2 1 325.456 2.060 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC)CC2 ZINC001050551216 1243831605 /nfs/dbraw/zinc/83/16/05/1243831605.db2.gz SFRYMJVEYGNCTD-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC)CC2 ZINC001050551216 1243831612 /nfs/dbraw/zinc/83/16/12/1243831612.db2.gz SFRYMJVEYGNCTD-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001050661838 1244069920 /nfs/dbraw/zinc/06/99/20/1244069920.db2.gz DIJOCFGJBMIACL-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101270290 1245597124 /nfs/dbraw/zinc/59/71/24/1245597124.db2.gz JNAOJYJHOWVBEL-DYXWJJEUSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101270290 1245597130 /nfs/dbraw/zinc/59/71/30/1245597130.db2.gz JNAOJYJHOWVBEL-DYXWJJEUSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101270290 1245597139 /nfs/dbraw/zinc/59/71/39/1245597139.db2.gz JNAOJYJHOWVBEL-DYXWJJEUSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101270290 1245597142 /nfs/dbraw/zinc/59/71/42/1245597142.db2.gz JNAOJYJHOWVBEL-DYXWJJEUSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053034639 1245729500 /nfs/dbraw/zinc/72/95/00/1245729500.db2.gz XQRAJDRWJGQYBD-ROUUACIJSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053034639 1245729504 /nfs/dbraw/zinc/72/95/04/1245729504.db2.gz XQRAJDRWJGQYBD-ROUUACIJSA-N 2 1 330.476 2.328 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051190 1245772227 /nfs/dbraw/zinc/77/22/27/1245772227.db2.gz KSLCYKVSXCZHBA-OALUTQOASA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001101595367 1246004009 /nfs/dbraw/zinc/00/40/09/1246004009.db2.gz DOFLTFZMLNXRKX-UHFFFAOYSA-N 2 1 330.476 2.069 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)CO2 ZINC001053945714 1247049761 /nfs/dbraw/zinc/04/97/61/1247049761.db2.gz FDCGUOQNSQVUIW-QZTJIDSGSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001054040868 1247198679 /nfs/dbraw/zinc/19/86/79/1247198679.db2.gz BSYYJFSOMOIFHN-HSALFYBXSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001054040868 1247198683 /nfs/dbraw/zinc/19/86/83/1247198683.db2.gz BSYYJFSOMOIFHN-HSALFYBXSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001054040868 1247198701 /nfs/dbraw/zinc/19/87/01/1247198701.db2.gz BSYYJFSOMOIFHN-HSALFYBXSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001054040868 1247198706 /nfs/dbraw/zinc/19/87/06/1247198706.db2.gz BSYYJFSOMOIFHN-HSALFYBXSA-N 2 1 341.499 2.446 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448422 1247310907 /nfs/dbraw/zinc/31/09/07/1247310907.db2.gz ZEHUOAHOTIZCCR-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448422 1247310920 /nfs/dbraw/zinc/31/09/20/1247310920.db2.gz ZEHUOAHOTIZCCR-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448422 1247310931 /nfs/dbraw/zinc/31/09/31/1247310931.db2.gz ZEHUOAHOTIZCCR-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448421 1247312086 /nfs/dbraw/zinc/31/20/86/1247312086.db2.gz ZEHUOAHOTIZCCR-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448421 1247312095 /nfs/dbraw/zinc/31/20/95/1247312095.db2.gz ZEHUOAHOTIZCCR-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448421 1247312104 /nfs/dbraw/zinc/31/21/04/1247312104.db2.gz ZEHUOAHOTIZCCR-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001054197919 1247689040 /nfs/dbraw/zinc/68/90/40/1247689040.db2.gz LQHDZLMSSJHDSG-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001054197919 1247689050 /nfs/dbraw/zinc/68/90/50/1247689050.db2.gz LQHDZLMSSJHDSG-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054245053 1247861807 /nfs/dbraw/zinc/86/18/07/1247861807.db2.gz NVSGIDWHEAQVRV-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245053 1247861817 /nfs/dbraw/zinc/86/18/17/1247861817.db2.gz NVSGIDWHEAQVRV-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245053 1247861831 /nfs/dbraw/zinc/86/18/31/1247861831.db2.gz NVSGIDWHEAQVRV-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001073059371 1255624626 /nfs/dbraw/zinc/62/46/26/1255624626.db2.gz CTMBBXBVQNNPEU-UHFFFAOYSA-N 2 1 327.472 2.472 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001098485544 1257708581 /nfs/dbraw/zinc/70/85/81/1257708581.db2.gz KFSWUSMKAFPZMF-NXHRZFHOSA-N 2 1 343.471 2.480 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115954 1257977195 /nfs/dbraw/zinc/97/71/95/1257977195.db2.gz LYYDERDBFMPMNN-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099115954 1257977199 /nfs/dbraw/zinc/97/71/99/1257977199.db2.gz LYYDERDBFMPMNN-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001099115954 1257977201 /nfs/dbraw/zinc/97/72/01/1257977201.db2.gz LYYDERDBFMPMNN-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001191019929 1281177604 /nfs/dbraw/zinc/17/76/04/1281177604.db2.gz RDGGVSKWBAPFOE-GOSISDBHSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001191019929 1281177608 /nfs/dbraw/zinc/17/76/08/1281177608.db2.gz RDGGVSKWBAPFOE-GOSISDBHSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001191019929 1281177610 /nfs/dbraw/zinc/17/76/10/1281177610.db2.gz RDGGVSKWBAPFOE-GOSISDBHSA-N 2 1 342.487 2.321 20 30 EEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408117 1282474837 /nfs/dbraw/zinc/47/48/37/1282474837.db2.gz DPENIAOAFCIUQM-AZUAARDMSA-N 2 1 327.472 2.019 20 30 EEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001196934976 1284337370 /nfs/dbraw/zinc/33/73/70/1284337370.db2.gz LHKBNWYBIMRRTL-QGZVFWFLSA-N 2 1 330.476 2.254 20 30 EEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001196934976 1284337378 /nfs/dbraw/zinc/33/73/78/1284337378.db2.gz LHKBNWYBIMRRTL-QGZVFWFLSA-N 2 1 330.476 2.254 20 30 EEEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484426 1284626813 /nfs/dbraw/zinc/62/68/13/1284626813.db2.gz DDVGWLSLKIAXMX-SFHVURJKSA-N 2 1 339.524 2.090 20 30 EEEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000105450856 1286395316 /nfs/dbraw/zinc/39/53/16/1286395316.db2.gz HMVRTCYOZUXMDM-QGZVFWFLSA-N 2 1 344.503 2.341 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110714681 1293677615 /nfs/dbraw/zinc/67/76/15/1293677615.db2.gz CEXBBYRDFXPBEJ-KURKYZTESA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCCOC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000859078538 1294311268 /nfs/dbraw/zinc/31/12/68/1294311268.db2.gz BJRXVOHZHDDGAR-QZTJIDSGSA-N 2 1 335.492 2.415 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)CCC=C)C[C@H]2C)CC1 ZINC001211307256 1295811688 /nfs/dbraw/zinc/81/16/88/1295811688.db2.gz PYFLPJODHWXGQL-ZHALLVOQSA-N 2 1 331.504 2.123 20 30 EEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615775 1298962102 /nfs/dbraw/zinc/96/21/02/1298962102.db2.gz YTAJHCGUEFAKQB-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615775 1298962105 /nfs/dbraw/zinc/96/21/05/1298962105.db2.gz YTAJHCGUEFAKQB-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615775 1298962106 /nfs/dbraw/zinc/96/21/06/1298962106.db2.gz YTAJHCGUEFAKQB-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]21 ZINC001223690607 1300227827 /nfs/dbraw/zinc/22/78/27/1300227827.db2.gz JDQGXWOCDBKEAG-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224307220 1300539138 /nfs/dbraw/zinc/53/91/38/1300539138.db2.gz WJHAXKBGYMXXGO-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224307220 1300539152 /nfs/dbraw/zinc/53/91/52/1300539152.db2.gz WJHAXKBGYMXXGO-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224307220 1300539158 /nfs/dbraw/zinc/53/91/58/1300539158.db2.gz WJHAXKBGYMXXGO-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224307220 1300539170 /nfs/dbraw/zinc/53/91/70/1300539170.db2.gz WJHAXKBGYMXXGO-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372751 1300951860 /nfs/dbraw/zinc/95/18/60/1300951860.db2.gz NNOFSTUNCUWGJM-RKVPGOIHSA-N 2 1 325.472 2.069 20 30 EEEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372751 1300951862 /nfs/dbraw/zinc/95/18/62/1300951862.db2.gz NNOFSTUNCUWGJM-RKVPGOIHSA-N 2 1 325.472 2.069 20 30 EEEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372751 1300951866 /nfs/dbraw/zinc/95/18/66/1300951866.db2.gz NNOFSTUNCUWGJM-RKVPGOIHSA-N 2 1 325.472 2.069 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102601161 1301275370 /nfs/dbraw/zinc/27/53/70/1301275370.db2.gz OELQMVXDOIIUFV-VQIMIIECSA-N 2 1 342.487 2.083 20 30 EEEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102601161 1301275376 /nfs/dbraw/zinc/27/53/76/1301275376.db2.gz OELQMVXDOIIUFV-VQIMIIECSA-N 2 1 342.487 2.083 20 30 EEEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102601161 1301275385 /nfs/dbraw/zinc/27/53/85/1301275385.db2.gz OELQMVXDOIIUFV-VQIMIIECSA-N 2 1 342.487 2.083 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103086415 1302193337 /nfs/dbraw/zinc/19/33/37/1302193337.db2.gz AVOURSOAWZZODQ-WQVCFCJDSA-N 2 1 327.900 2.153 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234401911 1304910481 /nfs/dbraw/zinc/91/04/81/1304910481.db2.gz IGFMUTOEJDZZND-SJORKVTESA-N 2 1 348.491 2.132 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234401911 1304910485 /nfs/dbraw/zinc/91/04/85/1304910485.db2.gz IGFMUTOEJDZZND-SJORKVTESA-N 2 1 348.491 2.132 20 30 EEEDMP C=CCOc1cccc(C[N@H+]2CCC3(C[NH2+]C3)[C@@H](C(=O)OCC)C2)c1 ZINC001237430630 1305928586 /nfs/dbraw/zinc/92/85/86/1305928586.db2.gz LHZDBTZHLNLUFI-GOSISDBHSA-N 2 1 344.455 2.226 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120400640 1309510751 /nfs/dbraw/zinc/51/07/51/1309510751.db2.gz DOBZDYSLCWFOSU-QZTJIDSGSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120400640 1309510755 /nfs/dbraw/zinc/51/07/55/1309510755.db2.gz DOBZDYSLCWFOSU-QZTJIDSGSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120400640 1309510760 /nfs/dbraw/zinc/51/07/60/1309510760.db2.gz DOBZDYSLCWFOSU-QZTJIDSGSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121347039 1309988749 /nfs/dbraw/zinc/98/87/49/1309988749.db2.gz DODMJUKXZSJRPI-QAELIBMJSA-N 2 1 331.504 2.147 20 30 EEEDMP C=CCCCCCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OCC ZINC001245982474 1310202242 /nfs/dbraw/zinc/20/22/42/1310202242.db2.gz PKKZJJHUHMOTKL-BBWFWOEESA-N 2 1 326.481 2.005 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149727900 1316026801 /nfs/dbraw/zinc/02/68/01/1316026801.db2.gz QLPACUGHZWRBHQ-KRWDZBQOSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001149738988 1316031776 /nfs/dbraw/zinc/03/17/76/1316031776.db2.gz HGZPHYGBPMLGMO-SJORKVTESA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001149738988 1316031783 /nfs/dbraw/zinc/03/17/83/1316031783.db2.gz HGZPHYGBPMLGMO-SJORKVTESA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855425 1316068382 /nfs/dbraw/zinc/06/83/82/1316068382.db2.gz YTZRJSGDYRTFFW-WMZOPIPTSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149855425 1316068385 /nfs/dbraw/zinc/06/83/85/1316068385.db2.gz YTZRJSGDYRTFFW-WMZOPIPTSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001149855425 1316068389 /nfs/dbraw/zinc/06/83/89/1316068389.db2.gz YTZRJSGDYRTFFW-WMZOPIPTSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855423 1316068886 /nfs/dbraw/zinc/06/88/86/1316068886.db2.gz YTZRJSGDYRTFFW-FUHWJXTLSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149855423 1316068891 /nfs/dbraw/zinc/06/88/91/1316068891.db2.gz YTZRJSGDYRTFFW-FUHWJXTLSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001149855423 1316068897 /nfs/dbraw/zinc/06/88/97/1316068897.db2.gz YTZRJSGDYRTFFW-FUHWJXTLSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150036476 1316134019 /nfs/dbraw/zinc/13/40/19/1316134019.db2.gz OPQQITPEBQOFFP-KRWDZBQOSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150351385 1316240664 /nfs/dbraw/zinc/24/06/64/1316240664.db2.gz XKBSIDBGVQMSBE-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150624801 1316319892 /nfs/dbraw/zinc/31/98/92/1316319892.db2.gz GQURQYHCZJUFTD-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150624801 1316319899 /nfs/dbraw/zinc/31/98/99/1316319899.db2.gz GQURQYHCZJUFTD-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150624801 1316319904 /nfs/dbraw/zinc/31/99/04/1316319904.db2.gz GQURQYHCZJUFTD-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CCOC)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001151413244 1316527648 /nfs/dbraw/zinc/52/76/48/1316527648.db2.gz SNAIABAXFPQFFW-UHFFFAOYSA-N 2 1 345.915 2.066 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001151413244 1316527653 /nfs/dbraw/zinc/52/76/53/1316527653.db2.gz SNAIABAXFPQFFW-UHFFFAOYSA-N 2 1 345.915 2.066 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155611886 1317673569 /nfs/dbraw/zinc/67/35/69/1317673569.db2.gz JZIVBMJDGDSIBM-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C#N)ccc1F ZINC001155900327 1317782251 /nfs/dbraw/zinc/78/22/51/1317782251.db2.gz MITSILLVDHTMOM-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C#N)ccc1F ZINC001155900327 1317782259 /nfs/dbraw/zinc/78/22/59/1317782259.db2.gz MITSILLVDHTMOM-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158059440 1318988361 /nfs/dbraw/zinc/98/83/61/1318988361.db2.gz AXSNCIPQFFTVRR-IAGOWNOFSA-N 2 1 328.460 2.097 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158059440 1318988363 /nfs/dbraw/zinc/98/83/63/1318988363.db2.gz AXSNCIPQFFTVRR-IAGOWNOFSA-N 2 1 328.460 2.097 20 30 EEEDMP N#CC1(Nc2ncc3c(n2)CC[NH2+]C3)CC[NH+](Cc2ccccc2)CC1 ZINC001160100314 1320070234 /nfs/dbraw/zinc/07/02/34/1320070234.db2.gz XTDYXRMVOJADGY-UHFFFAOYSA-N 2 1 348.454 2.093 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001161041486 1320364279 /nfs/dbraw/zinc/36/42/79/1320364279.db2.gz JPNLWGZOJXTUCT-SFHVURJKSA-N 2 1 347.890 2.272 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001161251657 1320434573 /nfs/dbraw/zinc/43/45/73/1320434573.db2.gz TURCLEBXTWCHFV-UHFFFAOYSA-N 2 1 334.439 2.024 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001163819803 1321224755 /nfs/dbraw/zinc/22/47/55/1321224755.db2.gz AMDWNKIFUMOZFO-SFHVURJKSA-N 2 1 340.471 2.029 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001163820593 1321225255 /nfs/dbraw/zinc/22/52/55/1321225255.db2.gz GLOJYYZUTAKVQI-INIZCTEOSA-N 2 1 346.500 2.090 20 30 EEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001205345854 1322355393 /nfs/dbraw/zinc/35/53/93/1322355393.db2.gz ZTSREMIXXZDOMS-SFHVURJKSA-N 2 1 345.491 2.194 20 30 EEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001205345854 1322355405 /nfs/dbraw/zinc/35/54/05/1322355405.db2.gz ZTSREMIXXZDOMS-SFHVURJKSA-N 2 1 345.491 2.194 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205391073 1323107969 /nfs/dbraw/zinc/10/79/69/1323107969.db2.gz LQZNPOPBYPPPPJ-IPMKNSEASA-N 2 1 345.462 2.380 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205456362 1323143554 /nfs/dbraw/zinc/14/35/54/1323143554.db2.gz SCUZLURGOHIYDE-NZSAHSFTSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411422 1324481442 /nfs/dbraw/zinc/48/14/42/1324481442.db2.gz UAMOQFRVEXKAJR-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411422 1324481450 /nfs/dbraw/zinc/48/14/50/1324481450.db2.gz UAMOQFRVEXKAJR-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208429761 1324492087 /nfs/dbraw/zinc/49/20/87/1324492087.db2.gz LPVQDYYPJOCKHX-UWWQBHOKSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208429761 1324492092 /nfs/dbraw/zinc/49/20/92/1324492092.db2.gz LPVQDYYPJOCKHX-UWWQBHOKSA-N 2 1 330.476 2.157 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001208454581 1324506701 /nfs/dbraw/zinc/50/67/01/1324506701.db2.gz YJOKYVCAXVFONV-GOSISDBHSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1CC#Cc1ccc(F)cc1 ZINC001316606871 1324599638 /nfs/dbraw/zinc/59/96/38/1324599638.db2.gz LYPOZTRKKJVVSJ-LJQANCHMSA-N 2 1 345.462 2.052 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001209651182 1325000086 /nfs/dbraw/zinc/00/00/86/1325000086.db2.gz NTFRPERPAANOMB-IBGZPJMESA-N 2 1 329.488 2.318 20 30 EEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001209727108 1325022933 /nfs/dbraw/zinc/02/29/33/1325022933.db2.gz JNUINUZJPXJUAS-SFHVURJKSA-N 2 1 330.432 2.105 20 30 EEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001209727108 1325022941 /nfs/dbraw/zinc/02/29/41/1325022941.db2.gz JNUINUZJPXJUAS-SFHVURJKSA-N 2 1 330.432 2.105 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076306 1337983411 /nfs/dbraw/zinc/98/34/11/1337983411.db2.gz JGZSDCKKFTUXCK-QZTJIDSGSA-N 2 1 341.540 2.240 20 30 EEEDMP C=CCC[NH2+][C@@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953583 1369763696 /nfs/dbraw/zinc/76/36/96/1369763696.db2.gz QOMMMAOFYFKVMJ-KRWDZBQOSA-N 2 1 333.476 2.360 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121348516 1371870635 /nfs/dbraw/zinc/87/06/35/1371870635.db2.gz YETNQCIVCKWKSY-WZXTXQKWSA-N 2 1 331.504 2.147 20 30 EEEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001378922079 1380283735 /nfs/dbraw/zinc/28/37/35/1380283735.db2.gz GAAUYAKTTPBHTA-MRXNPFEDSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001378922079 1380283736 /nfs/dbraw/zinc/28/37/36/1380283736.db2.gz GAAUYAKTTPBHTA-MRXNPFEDSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001378922079 1380283738 /nfs/dbraw/zinc/28/37/38/1380283738.db2.gz GAAUYAKTTPBHTA-MRXNPFEDSA-N 2 1 327.900 2.394 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001393039523 1390289837 /nfs/dbraw/zinc/28/98/37/1390289837.db2.gz QSFIEPDGSDGCNZ-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001753191102 1406708808 /nfs/dbraw/zinc/70/88/08/1406708808.db2.gz YRIIIDOKDISWER-CRAIPNDOSA-N 2 1 347.890 2.080 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001403359064 1399783215 /nfs/dbraw/zinc/78/32/15/1399783215.db2.gz UXPJMDAYLZZZJA-INIZCTEOSA-N 2 1 342.487 2.227 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001422828044 1400214576 /nfs/dbraw/zinc/21/45/76/1400214576.db2.gz SCPPQTHFFSCXPU-KDOFPFPSSA-N 2 1 348.466 2.220 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001422828044 1400214579 /nfs/dbraw/zinc/21/45/79/1400214579.db2.gz SCPPQTHFFSCXPU-KDOFPFPSSA-N 2 1 348.466 2.220 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001755408137 1407417301 /nfs/dbraw/zinc/41/73/01/1407417301.db2.gz RNKPPSYDMHZLJA-IRXDYDNUSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001755408137 1407417305 /nfs/dbraw/zinc/41/73/05/1407417305.db2.gz RNKPPSYDMHZLJA-IRXDYDNUSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001755408137 1407417307 /nfs/dbraw/zinc/41/73/07/1407417307.db2.gz RNKPPSYDMHZLJA-IRXDYDNUSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001755408137 1407417310 /nfs/dbraw/zinc/41/73/10/1407417310.db2.gz RNKPPSYDMHZLJA-IRXDYDNUSA-N 2 1 339.524 2.114 20 30 EEEDMP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755521746 1407581460 /nfs/dbraw/zinc/58/14/60/1407581460.db2.gz PIIGJAFUGVFHOJ-UYAOXDASSA-N 2 1 341.499 2.254 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)c1 ZINC001168023660 782294442 /nfs/dbraw/zinc/29/44/42/782294442.db2.gz ZIMKGCIOTMYARR-MOPGFXCFSA-N 2 1 340.471 2.171 20 30 EEEDMP C=CCN(CC=C)CC[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC001209453406 757392928 /nfs/dbraw/zinc/39/29/28/757392928.db2.gz HXYLBJCFXUTLIC-UHFFFAOYSA-N 2 1 334.552 2.154 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001075454046 760709265 /nfs/dbraw/zinc/70/92/65/760709265.db2.gz JWYOKMQLFAWZNN-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075454046 760709272 /nfs/dbraw/zinc/70/92/72/760709272.db2.gz JWYOKMQLFAWZNN-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075454046 760709281 /nfs/dbraw/zinc/70/92/81/760709281.db2.gz JWYOKMQLFAWZNN-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)C[C@H](C)O2 ZINC001098611034 765526455 /nfs/dbraw/zinc/52/64/55/765526455.db2.gz VAIAYPLQDYHRBC-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445043 769262341 /nfs/dbraw/zinc/26/23/41/769262341.db2.gz CRKMZUOQCWLTPA-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565707 770433818 /nfs/dbraw/zinc/43/38/18/770433818.db2.gz XGDZBBZLPMDTEW-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565707 770433819 /nfs/dbraw/zinc/43/38/19/770433819.db2.gz XGDZBBZLPMDTEW-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565707 770433821 /nfs/dbraw/zinc/43/38/21/770433821.db2.gz XGDZBBZLPMDTEW-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001105412834 783024642 /nfs/dbraw/zinc/02/46/42/783024642.db2.gz DPQPVXQKGADBSI-IRFCIJBXSA-N 2 1 341.499 2.463 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC001088212364 783063147 /nfs/dbraw/zinc/06/31/47/783063147.db2.gz GKLGDZIVFPXKAE-MJGOQNOKSA-N 2 1 339.483 2.165 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=C)C ZINC001089654469 773904378 /nfs/dbraw/zinc/90/43/78/773904378.db2.gz ZXPSISZMZDPSAU-ROUUACIJSA-N 2 1 331.504 2.267 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089734218 774793263 /nfs/dbraw/zinc/79/32/63/774793263.db2.gz MANZKAALQOCRCN-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734218 774793266 /nfs/dbraw/zinc/79/32/66/774793266.db2.gz MANZKAALQOCRCN-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000939413028 776484058 /nfs/dbraw/zinc/48/40/58/776484058.db2.gz JCYPVUDOLATKIG-LRDDRELGSA-N 2 1 345.834 2.070 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001171248514 790475006 /nfs/dbraw/zinc/47/50/06/790475006.db2.gz VZRNYFGRKXCFMA-ZWKOTPCHSA-N 2 1 349.523 2.044 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089833500 777339491 /nfs/dbraw/zinc/33/94/91/777339491.db2.gz LATZXSJAPIJLPN-NBYUQASBSA-N 2 1 348.450 2.140 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839482 777551027 /nfs/dbraw/zinc/55/10/27/777551027.db2.gz TZPQTEYGSUFSOU-VLQPXKRTSA-N 2 1 336.439 2.303 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089847714 777905895 /nfs/dbraw/zinc/90/58/95/777905895.db2.gz WVFQVDGZPKMTEO-FJIDUMEYSA-N 2 1 331.504 2.216 20 30 EEEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000981959107 778666253 /nfs/dbraw/zinc/66/62/53/778666253.db2.gz ZBTURRBCCSJQMD-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC000981959107 778666256 /nfs/dbraw/zinc/66/62/56/778666256.db2.gz ZBTURRBCCSJQMD-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC000981959107 778666259 /nfs/dbraw/zinc/66/62/59/778666259.db2.gz ZBTURRBCCSJQMD-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC[C@H](C)F)C[C@]2(C)C1 ZINC000982298497 779621666 /nfs/dbraw/zinc/62/16/66/779621666.db2.gz GNJNHOJTMRGWIO-QGZVKYPTSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC[C@H](C)F)C[C@]2(C)C1 ZINC000982298497 779621674 /nfs/dbraw/zinc/62/16/74/779621674.db2.gz GNJNHOJTMRGWIO-QGZVKYPTSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC[C@H](C)F)C[C@]2(C)C1 ZINC000982298497 779621680 /nfs/dbraw/zinc/62/16/80/779621680.db2.gz GNJNHOJTMRGWIO-QGZVKYPTSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC[C@H](C)F)C[C@]2(C)C1 ZINC000982298497 779621686 /nfs/dbraw/zinc/62/16/86/779621686.db2.gz GNJNHOJTMRGWIO-QGZVKYPTSA-N 2 1 349.494 2.003 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122208 780868668 /nfs/dbraw/zinc/86/86/68/780868668.db2.gz AZEWQNKAKPOSSY-MGPQQGTHSA-N 2 1 333.398 2.026 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122481 780871618 /nfs/dbraw/zinc/87/16/18/780871618.db2.gz PFADGVVEVQMRKV-RBSFLKMASA-N 2 1 347.425 2.416 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1CC ZINC001087590757 781899570 /nfs/dbraw/zinc/89/95/70/781899570.db2.gz VLCVYYKNQBXJOH-JKSUJKDBSA-N 2 1 333.501 2.416 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1CC ZINC001087590757 781899574 /nfs/dbraw/zinc/89/95/74/781899574.db2.gz VLCVYYKNQBXJOH-JKSUJKDBSA-N 2 1 333.501 2.416 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088328925 783522767 /nfs/dbraw/zinc/52/27/67/783522767.db2.gz JEQATIPBJPGYGN-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088328925 783522773 /nfs/dbraw/zinc/52/27/73/783522773.db2.gz JEQATIPBJPGYGN-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC[C@@H](C)F)C2)CC1 ZINC001035195537 784087688 /nfs/dbraw/zinc/08/76/88/784087688.db2.gz YXGGGFXKDASWGY-MSOLQXFVSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001035195537 784087694 /nfs/dbraw/zinc/08/76/94/784087694.db2.gz YXGGGFXKDASWGY-MSOLQXFVSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC[C@@H](C)F)C2)CC1 ZINC001035195537 784087700 /nfs/dbraw/zinc/08/77/00/784087700.db2.gz YXGGGFXKDASWGY-MSOLQXFVSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC[C@@H](C)F)C2)CC1 ZINC001035195537 784087707 /nfs/dbraw/zinc/08/77/07/784087707.db2.gz YXGGGFXKDASWGY-MSOLQXFVSA-N 2 1 349.494 2.147 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135975863 784924608 /nfs/dbraw/zinc/92/46/08/784924608.db2.gz DQQUNAQKWXTRHU-GJZGRUSLSA-N 2 1 348.466 2.412 20 30 EEEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035736416 785045418 /nfs/dbraw/zinc/04/54/18/785045418.db2.gz DJIPZUCHWLHFPX-UHFFFAOYSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001036193318 785964054 /nfs/dbraw/zinc/96/40/54/785964054.db2.gz MESIJZPQWVVMDN-ZFWWWQNUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC000996675330 787102228 /nfs/dbraw/zinc/10/22/28/787102228.db2.gz XPSOPDFZOWTDGR-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000996731689 787335927 /nfs/dbraw/zinc/33/59/27/787335927.db2.gz ZPUMUVYRUKYEFQ-KRWDZBQOSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001107485309 787381318 /nfs/dbraw/zinc/38/13/18/787381318.db2.gz TYHVCSBABJIURC-UYAOXDASSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567684 787676042 /nfs/dbraw/zinc/67/60/42/787676042.db2.gz FXPRDKHCWQDGBI-UYAOXDASSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001006001173 789231011 /nfs/dbraw/zinc/23/10/11/789231011.db2.gz KRJZCAGMPJNSFL-MRXNPFEDSA-N 2 1 330.476 2.253 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C#N)C3CCCC3)CC2)CC1 ZINC000921548460 789386314 /nfs/dbraw/zinc/38/63/14/789386314.db2.gz JFFILAQPSYKPBI-LJQANCHMSA-N 2 1 346.519 2.381 20 30 EEEDMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001171215902 790074757 /nfs/dbraw/zinc/07/47/57/790074757.db2.gz GBCQVVFYUNGBFM-KRWDZBQOSA-N 2 1 347.890 2.129 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998108862 791987087 /nfs/dbraw/zinc/98/70/87/791987087.db2.gz HDCDNWPWJPYBGR-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998108862 791987096 /nfs/dbraw/zinc/98/70/96/791987096.db2.gz HDCDNWPWJPYBGR-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091748650 792718816 /nfs/dbraw/zinc/71/88/16/792718816.db2.gz RRVZKVNASRNYGO-LQWHRVPQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091748650 792718819 /nfs/dbraw/zinc/71/88/19/792718819.db2.gz RRVZKVNASRNYGO-LQWHRVPQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091748650 792718822 /nfs/dbraw/zinc/71/88/22/792718822.db2.gz RRVZKVNASRNYGO-LQWHRVPQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091748650 792718826 /nfs/dbraw/zinc/71/88/26/792718826.db2.gz RRVZKVNASRNYGO-LQWHRVPQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001086938322 793023408 /nfs/dbraw/zinc/02/34/08/793023408.db2.gz NKUJFQFVAYQDDK-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992265052 793443386 /nfs/dbraw/zinc/44/33/86/793443386.db2.gz WPCVXPIVZGUXGF-VQIMIIECSA-N 2 1 328.460 2.143 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992265052 793443393 /nfs/dbraw/zinc/44/33/93/793443393.db2.gz WPCVXPIVZGUXGF-VQIMIIECSA-N 2 1 328.460 2.143 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212416529 793976314 /nfs/dbraw/zinc/97/63/14/793976314.db2.gz OMXVKGPTLPWBLZ-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212416529 793976317 /nfs/dbraw/zinc/97/63/17/793976317.db2.gz OMXVKGPTLPWBLZ-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212416529 793976324 /nfs/dbraw/zinc/97/63/24/793976324.db2.gz OMXVKGPTLPWBLZ-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092919292 794436939 /nfs/dbraw/zinc/43/69/39/794436939.db2.gz IZCYZVLCZHNFCF-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092919292 794436943 /nfs/dbraw/zinc/43/69/43/794436943.db2.gz IZCYZVLCZHNFCF-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001079318628 794574329 /nfs/dbraw/zinc/57/43/29/794574329.db2.gz POMCFUKLWHFITG-HHXXYDBFSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801353 795079099 /nfs/dbraw/zinc/07/90/99/795079099.db2.gz KFEQESFJNHXQGG-RDJZCZTQSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801353 795079106 /nfs/dbraw/zinc/07/91/06/795079106.db2.gz KFEQESFJNHXQGG-RDJZCZTQSA-N 2 1 331.460 2.454 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001093372617 795104298 /nfs/dbraw/zinc/10/42/98/795104298.db2.gz FZODROCKNDIPEF-RBUKOAKNSA-N 2 1 345.531 2.299 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001093383544 795125371 /nfs/dbraw/zinc/12/53/71/795125371.db2.gz MUDZOFAZOCDIMW-SFHVURJKSA-N 2 1 343.515 2.361 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094415046 796203307 /nfs/dbraw/zinc/20/33/07/796203307.db2.gz KSRMWQSDIWFYNK-NLWGTHIKSA-N 2 1 331.504 2.265 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001081168421 796668676 /nfs/dbraw/zinc/66/86/76/796668676.db2.gz XHDOJZQFURVZKA-FRYIKTPZSA-N 2 1 341.499 2.487 20 30 EEEDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172992816 797202147 /nfs/dbraw/zinc/20/21/47/797202147.db2.gz FVJALPSIBMZCRP-YVSFHVDLSA-N 2 1 348.491 2.162 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994012499 797226360 /nfs/dbraw/zinc/22/63/60/797226360.db2.gz UXZZEFZPAPGBGU-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H]1C ZINC000994141822 797357027 /nfs/dbraw/zinc/35/70/27/797357027.db2.gz ADWHJGYFSJOBDY-APWZRJJASA-N 2 1 336.439 2.478 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H](OC)C1 ZINC001082319655 797447046 /nfs/dbraw/zinc/44/70/46/797447046.db2.gz DHPUQRVHMKUSMP-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](OC)C1 ZINC001082319655 797447048 /nfs/dbraw/zinc/44/70/48/797447048.db2.gz DHPUQRVHMKUSMP-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](OC)C1 ZINC001082319655 797447053 /nfs/dbraw/zinc/44/70/53/797447053.db2.gz DHPUQRVHMKUSMP-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001002157467 797641220 /nfs/dbraw/zinc/64/12/20/797641220.db2.gz JVIYHXVUXOZAHM-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001002157467 797641225 /nfs/dbraw/zinc/64/12/25/797641225.db2.gz JVIYHXVUXOZAHM-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175730645 798208924 /nfs/dbraw/zinc/20/89/24/798208924.db2.gz NULNNPBWKMHJIY-ROUUACIJSA-N 2 1 339.524 2.328 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406186 798417275 /nfs/dbraw/zinc/41/72/75/798417275.db2.gz IIRBEHHUSSRNSY-SJORKVTESA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406186 798417281 /nfs/dbraw/zinc/41/72/81/798417281.db2.gz IIRBEHHUSSRNSY-SJORKVTESA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001084767896 798438884 /nfs/dbraw/zinc/43/88/84/798438884.db2.gz NHGHOFSNFJJUPR-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084767896 798438888 /nfs/dbraw/zinc/43/88/88/798438888.db2.gz NHGHOFSNFJJUPR-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084767896 798438893 /nfs/dbraw/zinc/43/88/93/798438893.db2.gz NHGHOFSNFJJUPR-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084767896 798438896 /nfs/dbraw/zinc/43/88/96/798438896.db2.gz NHGHOFSNFJJUPR-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176758422 798570881 /nfs/dbraw/zinc/57/08/81/798570881.db2.gz BKDOOZRVIBGMTE-ROUUACIJSA-N 2 1 339.524 2.328 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958223 798578136 /nfs/dbraw/zinc/57/81/36/798578136.db2.gz QXTDCJRZYCJPOQ-IKGGRYGDSA-N 2 1 328.460 2.259 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958223 798578138 /nfs/dbraw/zinc/57/81/38/798578138.db2.gz QXTDCJRZYCJPOQ-IKGGRYGDSA-N 2 1 328.460 2.259 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001176844219 798587389 /nfs/dbraw/zinc/58/73/89/798587389.db2.gz GOAOUAPFFBZLEU-GASCZTMLSA-N 2 1 346.450 2.166 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001176971763 798666158 /nfs/dbraw/zinc/66/61/58/798666158.db2.gz HRQSMVAGBLVSHY-UHFFFAOYSA-N 2 1 335.879 2.128 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001177415595 798932791 /nfs/dbraw/zinc/93/27/91/798932791.db2.gz DZXHZDVQHIWODT-SFHVURJKSA-N 2 1 333.520 2.350 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001003054902 799123914 /nfs/dbraw/zinc/12/39/14/799123914.db2.gz CGFBAGSGZFZDOK-PXNSSMCTSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001003054902 799123917 /nfs/dbraw/zinc/12/39/17/799123917.db2.gz CGFBAGSGZFZDOK-PXNSSMCTSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001003054904 799123996 /nfs/dbraw/zinc/12/39/96/799123996.db2.gz CGFBAGSGZFZDOK-XLIONFOSSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001003054904 799123998 /nfs/dbraw/zinc/12/39/98/799123998.db2.gz CGFBAGSGZFZDOK-XLIONFOSSA-N 2 1 339.483 2.426 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001003143881 799287248 /nfs/dbraw/zinc/28/72/48/799287248.db2.gz GQXYFCAGLASHMP-HOTGVXAUSA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001003143881 799287252 /nfs/dbraw/zinc/28/72/52/799287252.db2.gz GQXYFCAGLASHMP-HOTGVXAUSA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178536048 799512941 /nfs/dbraw/zinc/51/29/41/799512941.db2.gz OKFMDIQHZWRHQK-MSOLQXFVSA-N 2 1 337.508 2.082 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1cncs1 ZINC001178722831 799581078 /nfs/dbraw/zinc/58/10/78/799581078.db2.gz PXSSTXIAEDRUKJ-KRWDZBQOSA-N 2 1 348.516 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1cncs1 ZINC001178722831 799581085 /nfs/dbraw/zinc/58/10/85/799581085.db2.gz PXSSTXIAEDRUKJ-KRWDZBQOSA-N 2 1 348.516 2.007 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001179856863 800134276 /nfs/dbraw/zinc/13/42/76/800134276.db2.gz LWWBFZNDVVTQIW-KSSFIOAISA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003776192 800142710 /nfs/dbraw/zinc/14/27/10/800142710.db2.gz JYXSXMBIMKDLFZ-HZPDHXFCSA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003776192 800142713 /nfs/dbraw/zinc/14/27/13/800142713.db2.gz JYXSXMBIMKDLFZ-HZPDHXFCSA-N 2 1 325.884 2.336 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001004619034 802496125 /nfs/dbraw/zinc/49/61/25/802496125.db2.gz JPKIYNGMKXWOLV-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004619034 802496128 /nfs/dbraw/zinc/49/61/28/802496128.db2.gz JPKIYNGMKXWOLV-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004619034 802496132 /nfs/dbraw/zinc/49/61/32/802496132.db2.gz JPKIYNGMKXWOLV-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@H](C)O2 ZINC001131700927 813131946 /nfs/dbraw/zinc/13/19/46/813131946.db2.gz LLMWVXRMBXVCEO-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001437309846 1089467776 /nfs/dbraw/zinc/46/77/76/1089467776.db2.gz IKSPJVBHVXHVBE-GOSISDBHSA-N 2 1 349.906 2.352 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001438408160 1090895601 /nfs/dbraw/zinc/89/56/01/1090895601.db2.gz ZSRLKBPYNRSDFF-UHFFFAOYSA-N 2 1 348.516 2.480 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001440597675 1093862933 /nfs/dbraw/zinc/86/29/33/1093862933.db2.gz VIRYNKLUEUJBRD-YOEHRIQHSA-N 2 1 335.879 2.307 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001440597675 1093862941 /nfs/dbraw/zinc/86/29/41/1093862941.db2.gz VIRYNKLUEUJBRD-YOEHRIQHSA-N 2 1 335.879 2.307 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001449023599 1094029606 /nfs/dbraw/zinc/02/96/06/1094029606.db2.gz WRKQLHXJRSVSNE-PBHICJAKSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001496479449 1101071375 /nfs/dbraw/zinc/07/13/75/1101071375.db2.gz BOQWALLXQJGRGW-CZUORRHYSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001496906512 1101700721 /nfs/dbraw/zinc/70/07/21/1101700721.db2.gz CWNQERMQUMQAFI-UONOGXRCSA-N 2 1 346.313 2.111 20 30 EEEDMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1C#N ZINC001448099458 1104000157 /nfs/dbraw/zinc/00/01/57/1104000157.db2.gz JRYRHVIYCLEHPH-INIZCTEOSA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1C#N ZINC001448099458 1104000166 /nfs/dbraw/zinc/00/01/66/1104000166.db2.gz JRYRHVIYCLEHPH-INIZCTEOSA-N 2 1 342.487 2.227 20 30 EEEDMP CCCC[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001448244606 1104236394 /nfs/dbraw/zinc/23/63/94/1104236394.db2.gz GKLFXDBZXLYSFM-RBUKOAKNSA-N 2 1 342.487 2.417 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001507329851 1115195390 /nfs/dbraw/zinc/19/53/90/1115195390.db2.gz WYURFPBJWRWUBP-KBPBESRZSA-N 2 1 334.489 2.041 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264100178 201210717 /nfs/dbraw/zinc/21/07/17/201210717.db2.gz AFUBOCAAQLEKEI-UHFFFAOYSA-N 2 1 325.456 2.064 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000491698996 246117171 /nfs/dbraw/zinc/11/71/71/246117171.db2.gz UANNQSOKGXAKLY-INIZCTEOSA-N 2 1 328.378 2.458 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000491698996 246117175 /nfs/dbraw/zinc/11/71/75/246117175.db2.gz UANNQSOKGXAKLY-INIZCTEOSA-N 2 1 328.378 2.458 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000491700955 533106452 /nfs/dbraw/zinc/10/64/52/533106452.db2.gz DOEVPXSDDWKUSQ-UHFFFAOYSA-N 2 1 327.472 2.356 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000491700955 533106456 /nfs/dbraw/zinc/10/64/56/533106456.db2.gz DOEVPXSDDWKUSQ-UHFFFAOYSA-N 2 1 327.472 2.356 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000491700955 533106459 /nfs/dbraw/zinc/10/64/59/533106459.db2.gz DOEVPXSDDWKUSQ-UHFFFAOYSA-N 2 1 327.472 2.356 20 30 EEEDMP Cn1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1C#N ZINC000520686319 268129030 /nfs/dbraw/zinc/12/90/30/268129030.db2.gz JVRQPFUFEAKOEB-QGZVFWFLSA-N 2 1 343.500 2.037 20 30 EEEDMP Cc1ccc(NCCC[NH2+]C[C@@H](O)COc2ccccc2C#N)[nH+]c1 ZINC000600731812 449522423 /nfs/dbraw/zinc/52/24/23/449522423.db2.gz ZYTFPLKJBWHXRJ-QGZVFWFLSA-N 2 1 340.427 2.093 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000328050216 465056050 /nfs/dbraw/zinc/05/60/50/465056050.db2.gz ZDSPDYUPVDJSGX-AWEZNQCLSA-N 2 1 345.270 2.278 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000328050216 465056056 /nfs/dbraw/zinc/05/60/56/465056056.db2.gz ZDSPDYUPVDJSGX-AWEZNQCLSA-N 2 1 345.270 2.278 20 30 EEEDMP C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000337177220 465229998 /nfs/dbraw/zinc/22/99/98/465229998.db2.gz JHMOVFIWZGARKD-MOPGFXCFSA-N 2 1 348.535 2.045 20 30 EEEDMP CN(CC[N@@H+](C)CCCC1(C#N)CCOCC1)C1CC[NH+](C)CC1 ZINC000337187496 465234558 /nfs/dbraw/zinc/23/45/58/465234558.db2.gz QDJGRYRKQLKKLB-UHFFFAOYSA-N 2 1 336.524 2.045 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)[NH+]1CCSCC1)C(C)C ZINC000152558296 462546607 /nfs/dbraw/zinc/54/66/07/462546607.db2.gz GXHOHJYKICUVFG-IAGOWNOFSA-N 2 1 339.549 2.239 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000119062010 462870692 /nfs/dbraw/zinc/87/06/92/462870692.db2.gz PWOBMEZRKMXGNM-QGZVFWFLSA-N 2 1 329.444 2.363 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000119062010 462870695 /nfs/dbraw/zinc/87/06/95/462870695.db2.gz PWOBMEZRKMXGNM-QGZVFWFLSA-N 2 1 329.444 2.363 20 30 EEEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1C#N ZINC000268982952 463835566 /nfs/dbraw/zinc/83/55/66/463835566.db2.gz RPCCTTBLRQRBKP-ROUUACIJSA-N 2 1 329.444 2.034 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC2CCCC2)nc1 ZINC000264110651 464283901 /nfs/dbraw/zinc/28/39/01/464283901.db2.gz QSLKUMGKFYBGQZ-MRXNPFEDSA-N 2 1 345.491 2.292 20 30 EEEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc(-n4ccnc4)c3)[C@@H]2C1 ZINC000329580204 465377385 /nfs/dbraw/zinc/37/73/85/465377385.db2.gz WUIXIZHMSXMHFW-SJLPKXTDSA-N 2 1 339.443 2.312 20 30 EEEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372169876 466201816 /nfs/dbraw/zinc/20/18/16/466201816.db2.gz PWZLQOTWXNUYLQ-IBGZPJMESA-N 2 1 342.487 2.167 20 30 EEEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372169876 466201822 /nfs/dbraw/zinc/20/18/22/466201822.db2.gz PWZLQOTWXNUYLQ-IBGZPJMESA-N 2 1 342.487 2.167 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000304648828 466307523 /nfs/dbraw/zinc/30/75/23/466307523.db2.gz XQWNSXLXGMAGRU-GDBMZVCRSA-N 2 1 338.521 2.462 20 30 EEEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCCCC3)CC2)oc1C ZINC000304764519 466315578 /nfs/dbraw/zinc/31/55/78/466315578.db2.gz YBVLYVIMIFHFRD-UHFFFAOYSA-N 2 1 333.480 2.304 20 30 EEEDMP N#CCCCOc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000369037600 466711414 /nfs/dbraw/zinc/71/14/14/466711414.db2.gz ZASWGOXVOPHLBD-IEBWSBKVSA-N 2 1 329.444 2.322 20 30 EEEDMP C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000411178071 466777328 /nfs/dbraw/zinc/77/73/28/466777328.db2.gz KKIGNQOLLXHBSV-KRWDZBQOSA-N 2 1 345.487 2.236 20 30 EEEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@@H](O)CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000528399558 467681244 /nfs/dbraw/zinc/68/12/44/467681244.db2.gz WROQSAKYXMMWDL-SCTDSRPQSA-N 2 1 349.519 2.252 20 30 EEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000595503703 468879532 /nfs/dbraw/zinc/87/95/32/468879532.db2.gz AOAAYADPAMQCIB-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000595503703 468879539 /nfs/dbraw/zinc/87/95/39/468879539.db2.gz AOAAYADPAMQCIB-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000595503703 468879545 /nfs/dbraw/zinc/87/95/45/468879545.db2.gz AOAAYADPAMQCIB-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(C)C)CC1 ZINC000969156624 674648517 /nfs/dbraw/zinc/64/85/17/674648517.db2.gz YKDDWVILLYGAHP-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001021095868 675728684 /nfs/dbraw/zinc/72/86/84/675728684.db2.gz ATKPOWBROWUSBQ-MGPQQGTHSA-N 2 1 344.297 2.006 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000972401501 678686099 /nfs/dbraw/zinc/68/60/99/678686099.db2.gz CBXWLRJUKVYCKT-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000972401501 678686103 /nfs/dbraw/zinc/68/61/03/678686103.db2.gz CBXWLRJUKVYCKT-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000972401501 678686105 /nfs/dbraw/zinc/68/61/05/678686105.db2.gz CBXWLRJUKVYCKT-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001023514727 679350002 /nfs/dbraw/zinc/35/00/02/679350002.db2.gz QPFOFDWQAAVKQG-KRWDZBQOSA-N 2 1 336.439 2.337 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001023761820 679567668 /nfs/dbraw/zinc/56/76/68/679567668.db2.gz JXBFHUZHZVJMIO-SFHVURJKSA-N 2 1 331.504 2.126 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001026894209 685260458 /nfs/dbraw/zinc/26/04/58/685260458.db2.gz XTKIZBYWOMRNPF-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001026894209 685260464 /nfs/dbraw/zinc/26/04/64/685260464.db2.gz XTKIZBYWOMRNPF-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001024478536 679951390 /nfs/dbraw/zinc/95/13/90/679951390.db2.gz SPRVEURRMPQDSJ-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001024478536 679951400 /nfs/dbraw/zinc/95/14/00/679951400.db2.gz SPRVEURRMPQDSJ-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001024478536 679951395 /nfs/dbraw/zinc/95/13/95/679951395.db2.gz SPRVEURRMPQDSJ-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028681305 681809783 /nfs/dbraw/zinc/80/97/83/681809783.db2.gz UFTCOPOBEIBDHO-INIZCTEOSA-N 2 1 339.443 2.285 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709961 681947155 /nfs/dbraw/zinc/94/71/55/681947155.db2.gz GLJOXDMJIOQWNL-KRWDZBQOSA-N 2 1 329.488 2.419 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755572 682109672 /nfs/dbraw/zinc/10/96/72/682109672.db2.gz QISJQUDCSQYPIG-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755572 682109679 /nfs/dbraw/zinc/10/96/79/682109679.db2.gz QISJQUDCSQYPIG-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755572 682109683 /nfs/dbraw/zinc/10/96/83/682109683.db2.gz QISJQUDCSQYPIG-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982726578 682111867 /nfs/dbraw/zinc/11/18/67/682111867.db2.gz WEBVITNIVGETNT-RYQLBKOJSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982726578 682111871 /nfs/dbraw/zinc/11/18/71/682111871.db2.gz WEBVITNIVGETNT-RYQLBKOJSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982726578 682111873 /nfs/dbraw/zinc/11/18/73/682111873.db2.gz WEBVITNIVGETNT-RYQLBKOJSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982726578 682111875 /nfs/dbraw/zinc/11/18/75/682111875.db2.gz WEBVITNIVGETNT-RYQLBKOJSA-N 2 1 339.911 2.251 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239737 682294795 /nfs/dbraw/zinc/29/47/95/682294795.db2.gz ITMQFKGBMDHEEH-MSOLQXFVSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025247146 682316288 /nfs/dbraw/zinc/31/62/88/682316288.db2.gz IRWNMRFCCCMJNS-RTBURBONSA-N 2 1 336.439 2.427 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC001026605058 684781727 /nfs/dbraw/zinc/78/17/27/684781727.db2.gz CQAGXOFJMOBVKK-WLYUNCDWSA-N 2 1 346.500 2.088 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974660820 685170996 /nfs/dbraw/zinc/17/09/96/685170996.db2.gz DONFEMRWVMJCKY-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000974660820 685170998 /nfs/dbraw/zinc/17/09/98/685170998.db2.gz DONFEMRWVMJCKY-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040108 686063639 /nfs/dbraw/zinc/06/36/39/686063639.db2.gz PCPAIPWKVHNAMS-KXBFYZLASA-N 2 1 337.483 2.049 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040108 686063643 /nfs/dbraw/zinc/06/36/43/686063643.db2.gz PCPAIPWKVHNAMS-KXBFYZLASA-N 2 1 337.483 2.049 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040108 686063648 /nfs/dbraw/zinc/06/36/48/686063648.db2.gz PCPAIPWKVHNAMS-KXBFYZLASA-N 2 1 337.483 2.049 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040106 686064383 /nfs/dbraw/zinc/06/43/83/686064383.db2.gz PCPAIPWKVHNAMS-HNAYVOBHSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040106 686064390 /nfs/dbraw/zinc/06/43/90/686064390.db2.gz PCPAIPWKVHNAMS-HNAYVOBHSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040106 686064396 /nfs/dbraw/zinc/06/43/96/686064396.db2.gz PCPAIPWKVHNAMS-HNAYVOBHSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](C)CC)CC1 ZINC001029596278 686466374 /nfs/dbraw/zinc/46/63/74/686466374.db2.gz HRVZGFRFMOVUOK-YTQUADARSA-N 2 1 331.504 2.053 20 30 EEEDMP CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000985658241 687412167 /nfs/dbraw/zinc/41/21/67/687412167.db2.gz XDTCGFXMXIWHHF-KRWDZBQOSA-N 2 1 348.516 2.383 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027333633 687520629 /nfs/dbraw/zinc/52/06/29/687520629.db2.gz ZDPOYDPTMOSRAP-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027333633 687520632 /nfs/dbraw/zinc/52/06/32/687520632.db2.gz ZDPOYDPTMOSRAP-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262683144 687930691 /nfs/dbraw/zinc/93/06/91/687930691.db2.gz XEWUDATTYYVSRX-HNNXBMFYSA-N 2 1 332.448 2.449 20 30 EEEDMP C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272719389 1191981129 /nfs/dbraw/zinc/98/11/29/1191981129.db2.gz ULXIZHULGNKGTP-HXUWFJFHSA-N 2 1 347.503 2.280 20 30 EEEDMP C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272719389 1191981132 /nfs/dbraw/zinc/98/11/32/1191981132.db2.gz ULXIZHULGNKGTP-HXUWFJFHSA-N 2 1 347.503 2.280 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001482141619 1183457671 /nfs/dbraw/zinc/45/76/71/1183457671.db2.gz FPELVXRQWXECIS-OLMNPRSZSA-N 2 1 349.906 2.426 20 30 EEEDMP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001271885359 1186578734 /nfs/dbraw/zinc/57/87/34/1186578734.db2.gz OASZWXKALWORET-PMACEKPBSA-N 2 1 341.499 2.253 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)C[C@@H](C)O2 ZINC001098635265 1187041618 /nfs/dbraw/zinc/04/16/18/1187041618.db2.gz GAOYZLGIXWJOIU-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCN(CC=C)CCN1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168329760 1188296985 /nfs/dbraw/zinc/29/69/85/1188296985.db2.gz HDCNEZDOUSFOIH-UHFFFAOYSA-N 2 1 334.552 2.151 20 30 EEEDMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001005177145 1194666798 /nfs/dbraw/zinc/66/67/98/1194666798.db2.gz BAFIPOJUPHHYEO-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001005177145 1194666801 /nfs/dbraw/zinc/66/68/01/1194666801.db2.gz BAFIPOJUPHHYEO-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033938976 1195562866 /nfs/dbraw/zinc/56/28/66/1195562866.db2.gz DRVKJOKTQRSZHO-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033938976 1195562870 /nfs/dbraw/zinc/56/28/70/1195562870.db2.gz DRVKJOKTQRSZHO-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001034046985 1195699572 /nfs/dbraw/zinc/69/95/72/1195699572.db2.gz WYBOXENXYYYJAW-MSOLQXFVSA-N 2 1 337.483 2.003 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001018103570 1224338763 /nfs/dbraw/zinc/33/87/63/1224338763.db2.gz TTXSGTUMLNPGRX-HDICACEKSA-N 2 1 337.427 2.132 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001018103570 1224338769 /nfs/dbraw/zinc/33/87/69/1224338769.db2.gz TTXSGTUMLNPGRX-HDICACEKSA-N 2 1 337.427 2.132 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001132273483 1199520758 /nfs/dbraw/zinc/52/07/58/1199520758.db2.gz GGDPMXRQXWRDAY-RHSMWYFYSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001132273483 1199520764 /nfs/dbraw/zinc/52/07/64/1199520764.db2.gz GGDPMXRQXWRDAY-RHSMWYFYSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001132273826 1199522308 /nfs/dbraw/zinc/52/23/08/1199522308.db2.gz KPBNLGLIJVUQBV-PBHICJAKSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001132273826 1199522314 /nfs/dbraw/zinc/52/23/14/1199522314.db2.gz KPBNLGLIJVUQBV-PBHICJAKSA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309971 1199559964 /nfs/dbraw/zinc/55/99/64/1199559964.db2.gz HIWHEVGOIWDEPE-SJORKVTESA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309971 1199559968 /nfs/dbraw/zinc/55/99/68/1199559968.db2.gz HIWHEVGOIWDEPE-SJORKVTESA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309971 1199559969 /nfs/dbraw/zinc/55/99/69/1199559969.db2.gz HIWHEVGOIWDEPE-SJORKVTESA-N 2 1 339.524 2.136 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001134763322 1199798740 /nfs/dbraw/zinc/79/87/40/1199798740.db2.gz UWEXBALOLLIJKC-GOSISDBHSA-N 2 1 346.450 2.166 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001132931664 1200208383 /nfs/dbraw/zinc/20/83/83/1200208383.db2.gz BQPRCDGWASBTAD-CABCVRRESA-N 2 1 334.464 2.000 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132931667 1200209015 /nfs/dbraw/zinc/20/90/15/1200209015.db2.gz BQPRCDGWASBTAD-LSDHHAIUSA-N 2 1 334.464 2.000 20 30 EEEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941873 1200218208 /nfs/dbraw/zinc/21/82/08/1200218208.db2.gz RNFOEFNRMMKJIL-SJORKVTESA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274856453 1205188919 /nfs/dbraw/zinc/18/89/19/1205188919.db2.gz KXFXRBHVUDPAPS-WOJBJXKFSA-N 2 1 341.499 2.312 20 30 EEEDMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274856453 1205188920 /nfs/dbraw/zinc/18/89/20/1205188920.db2.gz KXFXRBHVUDPAPS-WOJBJXKFSA-N 2 1 341.499 2.312 20 30 EEEDMP Cc1ncoc1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001276216089 1205841420 /nfs/dbraw/zinc/84/14/20/1205841420.db2.gz LJVADZGVIGIZIJ-UHFFFAOYSA-N 2 1 339.443 2.291 20 30 EEEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000949379024 1209657991 /nfs/dbraw/zinc/65/79/91/1209657991.db2.gz KFEXIZREFLMNTF-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC000949379024 1209657993 /nfs/dbraw/zinc/65/79/93/1209657993.db2.gz KFEXIZREFLMNTF-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC000949379024 1209657995 /nfs/dbraw/zinc/65/79/95/1209657995.db2.gz KFEXIZREFLMNTF-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP CC[NH+]1CCN(CCCC[NH+]=C(NCc2ccccc2)N(C)C)CC1 ZINC000303867712 1213916028 /nfs/dbraw/zinc/91/60/28/1213916028.db2.gz AEDFECCDFVUANA-UHFFFAOYSA-N 2 1 345.535 2.112 20 30 EEEDMP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249750350 1215186574 /nfs/dbraw/zinc/18/65/74/1215186574.db2.gz GMAMOMBHQIVLQA-FGTMMUONSA-N 2 1 341.499 2.392 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957551974 1215204086 /nfs/dbraw/zinc/20/40/86/1215204086.db2.gz CJVUWWGTAIJKDD-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCC)CC2 ZINC000957561564 1215211920 /nfs/dbraw/zinc/21/19/20/1215211920.db2.gz UDFTXRXAVQIUTE-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCC)CC2 ZINC000957561564 1215211926 /nfs/dbraw/zinc/21/19/26/1215211926.db2.gz UDFTXRXAVQIUTE-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](CC)CC3CC3)CC2)CC1 ZINC000957777917 1215422115 /nfs/dbraw/zinc/42/21/15/1215422115.db2.gz CRAZVYTWUFWQFC-UHFFFAOYSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000962729301 1216026680 /nfs/dbraw/zinc/02/66/80/1216026680.db2.gz DYRAEPLCCLLUDH-FVQHAEBGSA-N 2 1 333.863 2.161 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000962729301 1216026685 /nfs/dbraw/zinc/02/66/85/1216026685.db2.gz DYRAEPLCCLLUDH-FVQHAEBGSA-N 2 1 333.863 2.161 20 30 EEEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000304748333 1216102521 /nfs/dbraw/zinc/10/25/21/1216102521.db2.gz HCPUFJVKIUUXGM-GFCCVEGCSA-N 2 1 340.855 2.044 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960677625 1216788017 /nfs/dbraw/zinc/78/80/17/1216788017.db2.gz VFPYQUPTUGKQSZ-MOPGFXCFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960677625 1216788020 /nfs/dbraw/zinc/78/80/20/1216788020.db2.gz VFPYQUPTUGKQSZ-MOPGFXCFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960677625 1216788027 /nfs/dbraw/zinc/78/80/27/1216788027.db2.gz VFPYQUPTUGKQSZ-MOPGFXCFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960677625 1216788029 /nfs/dbraw/zinc/78/80/29/1216788029.db2.gz VFPYQUPTUGKQSZ-MOPGFXCFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373625 1217162909 /nfs/dbraw/zinc/16/29/09/1217162909.db2.gz IGPAJGARYSCTIF-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961764358 1217317310 /nfs/dbraw/zinc/31/73/10/1217317310.db2.gz NIWDGLPEYJOZOJ-MKSNKDDYSA-N 2 1 337.483 2.212 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000961764358 1217317315 /nfs/dbraw/zinc/31/73/15/1217317315.db2.gz NIWDGLPEYJOZOJ-MKSNKDDYSA-N 2 1 337.483 2.212 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961764358 1217317320 /nfs/dbraw/zinc/31/73/20/1217317320.db2.gz NIWDGLPEYJOZOJ-MKSNKDDYSA-N 2 1 337.483 2.212 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968328301 1221212343 /nfs/dbraw/zinc/21/23/43/1221212343.db2.gz ZYRCDEACGMRVNP-QAPCUYQASA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968328301 1221212346 /nfs/dbraw/zinc/21/23/46/1221212346.db2.gz ZYRCDEACGMRVNP-QAPCUYQASA-N 2 1 346.475 2.287 20 30 EEEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887410 1221646553 /nfs/dbraw/zinc/64/65/53/1221646553.db2.gz DFTKSNNXRBEPAO-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968887410 1221646557 /nfs/dbraw/zinc/64/65/57/1221646557.db2.gz DFTKSNNXRBEPAO-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016664404 1226749909 /nfs/dbraw/zinc/74/99/09/1226749909.db2.gz XBXOETSWBGAXTG-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001016792747 1226882696 /nfs/dbraw/zinc/88/26/96/1226882696.db2.gz ACPQPPQTBGRJEF-FUHWJXTLSA-N 2 1 342.487 2.301 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020145849 1229509958 /nfs/dbraw/zinc/50/99/58/1229509958.db2.gz RHNUQYYNXFBRMF-IHRRRGAJSA-N 2 1 344.297 2.005 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001020250998 1229583288 /nfs/dbraw/zinc/58/32/88/1229583288.db2.gz ZPKWHGMXLTXLQJ-JPLJXNOCSA-N 2 1 339.483 2.390 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001020250998 1229583291 /nfs/dbraw/zinc/58/32/91/1229583291.db2.gz ZPKWHGMXLTXLQJ-JPLJXNOCSA-N 2 1 339.483 2.390 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153282 1230372248 /nfs/dbraw/zinc/37/22/48/1230372248.db2.gz UWNUDHYOUMXMSW-IHPCNDPISA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153282 1230372250 /nfs/dbraw/zinc/37/22/50/1230372250.db2.gz UWNUDHYOUMXMSW-IHPCNDPISA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153282 1230372252 /nfs/dbraw/zinc/37/22/52/1230372252.db2.gz UWNUDHYOUMXMSW-IHPCNDPISA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039473710 1230637405 /nfs/dbraw/zinc/63/74/05/1230637405.db2.gz YWFUWZSGUILOBL-MOPGFXCFSA-N 2 1 325.456 2.060 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040209968 1231105433 /nfs/dbraw/zinc/10/54/33/1231105433.db2.gz MRVPCHFNKJRXSF-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209968 1231105437 /nfs/dbraw/zinc/10/54/37/1231105437.db2.gz MRVPCHFNKJRXSF-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209968 1231105439 /nfs/dbraw/zinc/10/54/39/1231105439.db2.gz MRVPCHFNKJRXSF-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(=C)C)C2 ZINC001040244073 1231129178 /nfs/dbraw/zinc/12/91/78/1231129178.db2.gz GWUKFKMSNANJTA-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(=C)C)C2 ZINC001040244073 1231129180 /nfs/dbraw/zinc/12/91/80/1231129180.db2.gz GWUKFKMSNANJTA-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(=C)C)C2 ZINC001040244073 1231129182 /nfs/dbraw/zinc/12/91/82/1231129182.db2.gz GWUKFKMSNANJTA-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(=C)C)C2 ZINC001040244073 1231129183 /nfs/dbraw/zinc/12/91/83/1231129183.db2.gz GWUKFKMSNANJTA-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C/C=C/Cl)C2 ZINC001040244818 1231129841 /nfs/dbraw/zinc/12/98/41/1231129841.db2.gz OESFOQNXJVLSFX-DLJXPNBZSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C/C=C/Cl)C2 ZINC001040244818 1231129844 /nfs/dbraw/zinc/12/98/44/1231129844.db2.gz OESFOQNXJVLSFX-DLJXPNBZSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C/C=C/Cl)C2 ZINC001040244818 1231129846 /nfs/dbraw/zinc/12/98/46/1231129846.db2.gz OESFOQNXJVLSFX-DLJXPNBZSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C/C=C/Cl)C2 ZINC001040244818 1231129848 /nfs/dbraw/zinc/12/98/48/1231129848.db2.gz OESFOQNXJVLSFX-DLJXPNBZSA-N 2 1 349.906 2.151 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040639050 1231323866 /nfs/dbraw/zinc/32/38/66/1231323866.db2.gz XGHBXMDHSUMPGU-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001040727029 1231349379 /nfs/dbraw/zinc/34/93/79/1231349379.db2.gz NCVHQEDMYOTGHL-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC[C@@H](C)F)CC2 ZINC001040731765 1231351418 /nfs/dbraw/zinc/35/14/18/1231351418.db2.gz NJPFMAYSUAUUSF-MSOLQXFVSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC[C@@H](C)F)CC2 ZINC001040731765 1231351423 /nfs/dbraw/zinc/35/14/23/1231351423.db2.gz NJPFMAYSUAUUSF-MSOLQXFVSA-N 2 1 349.494 2.147 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358360 1231518820 /nfs/dbraw/zinc/51/88/20/1231518820.db2.gz NEZNPNWVTHLVGY-VQIMIIECSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358360 1231518821 /nfs/dbraw/zinc/51/88/21/1231518821.db2.gz NEZNPNWVTHLVGY-VQIMIIECSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505619 1231571034 /nfs/dbraw/zinc/57/10/34/1231571034.db2.gz LBBSQIWPDKWZHN-QUCCMNQESA-N 2 1 331.504 2.361 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041586074 1231609789 /nfs/dbraw/zinc/60/97/89/1231609789.db2.gz HVXYJRQDEPNMLT-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586074 1231609791 /nfs/dbraw/zinc/60/97/91/1231609791.db2.gz HVXYJRQDEPNMLT-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586074 1231609794 /nfs/dbraw/zinc/60/97/94/1231609794.db2.gz HVXYJRQDEPNMLT-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726308 1231663686 /nfs/dbraw/zinc/66/36/86/1231663686.db2.gz VFWVJFGOJHCNSM-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041743009 1231671018 /nfs/dbraw/zinc/67/10/18/1231671018.db2.gz ICGPSXNCYLOVJA-NRFANRHFSA-N 2 1 339.483 2.310 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042124442 1231905290 /nfs/dbraw/zinc/90/52/90/1231905290.db2.gz GGRCEWHGOUZEGS-WMZOPIPTSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042124442 1231905295 /nfs/dbraw/zinc/90/52/95/1231905295.db2.gz GGRCEWHGOUZEGS-WMZOPIPTSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042124442 1231905296 /nfs/dbraw/zinc/90/52/96/1231905296.db2.gz GGRCEWHGOUZEGS-WMZOPIPTSA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001044792302 1233268736 /nfs/dbraw/zinc/26/87/36/1233268736.db2.gz KFCVREOOPVGGKH-WBVHZDCISA-N 2 1 339.443 2.426 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045953325 1234220918 /nfs/dbraw/zinc/22/09/18/1234220918.db2.gz YEGJBVBXSUYTDB-HXUWFJFHSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045961551 1234237970 /nfs/dbraw/zinc/23/79/70/1234237970.db2.gz QYYQAYOFHCCRQE-IRFCIJBXSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961551 1234237972 /nfs/dbraw/zinc/23/79/72/1234237972.db2.gz QYYQAYOFHCCRQE-IRFCIJBXSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961551 1234237975 /nfs/dbraw/zinc/23/79/75/1234237975.db2.gz QYYQAYOFHCCRQE-IRFCIJBXSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001045969065 1234251615 /nfs/dbraw/zinc/25/16/15/1234251615.db2.gz KFPULWDFCWPMHR-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001045969065 1234251617 /nfs/dbraw/zinc/25/16/17/1234251617.db2.gz KFPULWDFCWPMHR-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045985636 1234280185 /nfs/dbraw/zinc/28/01/85/1234280185.db2.gz YRWICDGWBPETEM-WMZOPIPTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985636 1234280188 /nfs/dbraw/zinc/28/01/88/1234280188.db2.gz YRWICDGWBPETEM-WMZOPIPTSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001047240571 1235726869 /nfs/dbraw/zinc/72/68/69/1235726869.db2.gz GJRQHIIHXYGXDH-SLFFLAALSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047243641 1235734412 /nfs/dbraw/zinc/73/44/12/1235734412.db2.gz MIHAHGHZHAKCMS-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047243641 1235734421 /nfs/dbraw/zinc/73/44/21/1235734421.db2.gz MIHAHGHZHAKCMS-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263495 1235773259 /nfs/dbraw/zinc/77/32/59/1235773259.db2.gz HOOBPVXEAYBVIW-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3cncn3C1)C2 ZINC001048542138 1237919265 /nfs/dbraw/zinc/91/92/65/1237919265.db2.gz MRCQPXSKXJSTPQ-FJIDUMEYSA-N 2 1 342.487 2.381 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)C2 ZINC001048565161 1237975742 /nfs/dbraw/zinc/97/57/42/1237975742.db2.gz KWRCBJGLFQVFTK-ZHCJQAHYSA-N 2 1 328.460 2.069 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001048584983 1238028503 /nfs/dbraw/zinc/02/85/03/1238028503.db2.gz HNTMSEZWPNOMNI-DMUMMCEESA-N 2 1 331.504 2.408 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001048584983 1238028512 /nfs/dbraw/zinc/02/85/12/1238028512.db2.gz HNTMSEZWPNOMNI-DMUMMCEESA-N 2 1 331.504 2.408 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001048584983 1238028521 /nfs/dbraw/zinc/02/85/21/1238028521.db2.gz HNTMSEZWPNOMNI-DMUMMCEESA-N 2 1 331.504 2.408 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001000195681 1240051758 /nfs/dbraw/zinc/05/17/58/1240051758.db2.gz ZHQNANXYVOYUBT-CABCVRRESA-N 2 1 346.500 2.185 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)CC1 ZINC001000290761 1240136375 /nfs/dbraw/zinc/13/63/75/1240136375.db2.gz WDCHEOWEFSUCDH-RBUKOAKNSA-N 2 1 343.515 2.387 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2cncc2C1 ZINC001049554918 1241394109 /nfs/dbraw/zinc/39/41/09/1241394109.db2.gz ILGWTIZUNUIBIU-NZSAHSFTSA-N 2 1 342.487 2.477 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049666225 1241818313 /nfs/dbraw/zinc/81/83/13/1241818313.db2.gz XTKRHFZXJPIQGL-GUDVDZBRSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049666225 1241818316 /nfs/dbraw/zinc/81/83/16/1241818316.db2.gz XTKRHFZXJPIQGL-GUDVDZBRSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049666225 1241818319 /nfs/dbraw/zinc/81/83/19/1241818319.db2.gz XTKRHFZXJPIQGL-GUDVDZBRSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049760750 1242114211 /nfs/dbraw/zinc/11/42/11/1242114211.db2.gz BTABDZPTGHYBJR-ZWKOTPCHSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049760750 1242114216 /nfs/dbraw/zinc/11/42/16/1242114216.db2.gz BTABDZPTGHYBJR-ZWKOTPCHSA-N 2 1 342.487 2.485 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001049842093 1242383162 /nfs/dbraw/zinc/38/31/62/1242383162.db2.gz UXXPWBZPROKEJF-ARFHVFGLSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001049842093 1242383170 /nfs/dbraw/zinc/38/31/70/1242383170.db2.gz UXXPWBZPROKEJF-ARFHVFGLSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049842093 1242383182 /nfs/dbraw/zinc/38/31/82/1242383182.db2.gz UXXPWBZPROKEJF-ARFHVFGLSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049842093 1242383195 /nfs/dbraw/zinc/38/31/95/1242383195.db2.gz UXXPWBZPROKEJF-ARFHVFGLSA-N 2 1 325.884 2.146 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=C)Cl)CC1 ZINC001049916256 1242695369 /nfs/dbraw/zinc/69/53/69/1242695369.db2.gz FFBBKQBAWHOGPX-ROUUACIJSA-N 2 1 349.906 2.149 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=C)Cl)CC1 ZINC001049916256 1242695383 /nfs/dbraw/zinc/69/53/83/1242695383.db2.gz FFBBKQBAWHOGPX-ROUUACIJSA-N 2 1 349.906 2.149 20 30 EEEDMP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)cccc2C1 ZINC001051299466 1245499629 /nfs/dbraw/zinc/49/96/29/1245499629.db2.gz LOKHPTZQSUTWMF-OXQOHEQNSA-N 2 1 341.499 2.435 20 30 EEEDMP C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cccc2C1 ZINC001051299466 1245499633 /nfs/dbraw/zinc/49/96/33/1245499633.db2.gz LOKHPTZQSUTWMF-OXQOHEQNSA-N 2 1 341.499 2.435 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cccc2C1 ZINC001051299466 1245499637 /nfs/dbraw/zinc/49/96/37/1245499637.db2.gz LOKHPTZQSUTWMF-OXQOHEQNSA-N 2 1 341.499 2.435 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001054158091 1247559524 /nfs/dbraw/zinc/55/95/24/1247559524.db2.gz DYAIXZIFMDNMMC-LJQANCHMSA-N 2 1 346.475 2.240 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001054158091 1247559533 /nfs/dbraw/zinc/55/95/33/1247559533.db2.gz DYAIXZIFMDNMMC-LJQANCHMSA-N 2 1 346.475 2.240 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054181849 1247636622 /nfs/dbraw/zinc/63/66/22/1247636622.db2.gz AFHBGVMVEAASDJ-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054181849 1247636629 /nfs/dbraw/zinc/63/66/29/1247636629.db2.gz AFHBGVMVEAASDJ-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054181849 1247636635 /nfs/dbraw/zinc/63/66/35/1247636635.db2.gz AFHBGVMVEAASDJ-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001054198227 1247691422 /nfs/dbraw/zinc/69/14/22/1247691422.db2.gz SOBQVCBLZKHOJZ-PMACEKPBSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001054198227 1247691428 /nfs/dbraw/zinc/69/14/28/1247691428.db2.gz SOBQVCBLZKHOJZ-PMACEKPBSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001054198227 1247691436 /nfs/dbraw/zinc/69/14/36/1247691436.db2.gz SOBQVCBLZKHOJZ-PMACEKPBSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054207988 1247721484 /nfs/dbraw/zinc/72/14/84/1247721484.db2.gz CMLWKYHPOSQZQC-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@H+](CCC)C3)C2)CC1 ZINC001054245293 1247859847 /nfs/dbraw/zinc/85/98/47/1247859847.db2.gz QSCHNQPIWYBMKG-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cc2C1 ZINC001054281551 1247998586 /nfs/dbraw/zinc/99/85/86/1247998586.db2.gz PPMXXILLUDRGEN-KXBFYZLASA-N 2 1 327.472 2.392 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281551 1247998591 /nfs/dbraw/zinc/99/85/91/1247998591.db2.gz PPMXXILLUDRGEN-KXBFYZLASA-N 2 1 327.472 2.392 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281551 1247998599 /nfs/dbraw/zinc/99/85/99/1247998599.db2.gz PPMXXILLUDRGEN-KXBFYZLASA-N 2 1 327.472 2.392 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC2CCC2)C3)CC1 ZINC001099174675 1257994245 /nfs/dbraw/zinc/99/42/45/1257994245.db2.gz ZZXOLGUCUKJECG-FPOVZHCZSA-N 2 1 343.515 2.102 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001099495802 1258176752 /nfs/dbraw/zinc/17/67/52/1258176752.db2.gz CVLOBDVWBVZGQZ-OKYOBFRVSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001099495802 1258176758 /nfs/dbraw/zinc/17/67/58/1258176758.db2.gz CVLOBDVWBVZGQZ-OKYOBFRVSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099552893 1258201202 /nfs/dbraw/zinc/20/12/02/1258201202.db2.gz QBZJNOUJPCANSU-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099552893 1258201210 /nfs/dbraw/zinc/20/12/10/1258201210.db2.gz QBZJNOUJPCANSU-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099552893 1258201213 /nfs/dbraw/zinc/20/12/13/1258201213.db2.gz QBZJNOUJPCANSU-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099582874 1258226625 /nfs/dbraw/zinc/22/66/25/1258226625.db2.gz DEZPFJNHCBJUOY-QGZVFWFLSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099582874 1258226631 /nfs/dbraw/zinc/22/66/31/1258226631.db2.gz DEZPFJNHCBJUOY-QGZVFWFLSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099582874 1258226641 /nfs/dbraw/zinc/22/66/41/1258226641.db2.gz DEZPFJNHCBJUOY-QGZVFWFLSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185789887 1278782702 /nfs/dbraw/zinc/78/27/02/1278782702.db2.gz WFPGBPGBPMHUIZ-AZUAARDMSA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185789887 1278782711 /nfs/dbraw/zinc/78/27/11/1278782711.db2.gz WFPGBPGBPMHUIZ-AZUAARDMSA-N 2 1 341.499 2.216 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773978 1278018652 /nfs/dbraw/zinc/01/86/52/1278018652.db2.gz SNZZBWJNYXVSFY-OLZOCXBDSA-N 2 1 348.329 2.498 20 30 EEEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001071059871 1286742511 /nfs/dbraw/zinc/74/25/11/1286742511.db2.gz GGGGBWNHBGXJJF-QYZOEREBSA-N 2 1 349.519 2.033 20 30 EEEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213062 1294350455 /nfs/dbraw/zinc/35/04/55/1294350455.db2.gz REFGMEBKNGMZIK-HNNXBMFYSA-N 2 1 328.460 2.131 20 30 EEEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213062 1294350459 /nfs/dbraw/zinc/35/04/59/1294350459.db2.gz REFGMEBKNGMZIK-HNNXBMFYSA-N 2 1 328.460 2.131 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734850 1296073737 /nfs/dbraw/zinc/07/37/37/1296073737.db2.gz RHPPWQCOWPAEJT-JKSUJKDBSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734850 1296073755 /nfs/dbraw/zinc/07/37/55/1296073755.db2.gz RHPPWQCOWPAEJT-JKSUJKDBSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072734850 1296073764 /nfs/dbraw/zinc/07/37/64/1296073764.db2.gz RHPPWQCOWPAEJT-JKSUJKDBSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734850 1296073769 /nfs/dbraw/zinc/07/37/69/1296073769.db2.gz RHPPWQCOWPAEJT-JKSUJKDBSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593179 1296102462 /nfs/dbraw/zinc/10/24/62/1296102462.db2.gz OAHCAZLSNNJIOH-KZNAEPCWSA-N 2 1 339.524 2.134 20 30 EEEDMP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000119518085 1296321884 /nfs/dbraw/zinc/32/18/84/1296321884.db2.gz MHNLDQUHAFIFFY-SFHVURJKSA-N 2 1 342.487 2.191 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCCC)C1 ZINC001214880463 1296633636 /nfs/dbraw/zinc/63/36/36/1296633636.db2.gz KNTGUFXPVBOGRV-QRVBRYPASA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCCC)C1 ZINC001214880463 1296633657 /nfs/dbraw/zinc/63/36/57/1296633657.db2.gz KNTGUFXPVBOGRV-QRVBRYPASA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073454815 1297080465 /nfs/dbraw/zinc/08/04/65/1297080465.db2.gz SMWASUJJFPTFGF-GJZGRUSLSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073454815 1297080479 /nfs/dbraw/zinc/08/04/79/1297080479.db2.gz SMWASUJJFPTFGF-GJZGRUSLSA-N 2 1 325.884 2.146 20 30 EEEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ncc[nH]3)[C@H]2C1 ZINC001217729755 1297498752 /nfs/dbraw/zinc/49/87/52/1297498752.db2.gz IKMKPXWOVXUOPA-DLBZAZTESA-N 2 1 348.491 2.224 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899548 1299473334 /nfs/dbraw/zinc/47/33/34/1299473334.db2.gz VHLWFEJKMLUSRB-SJORKVTESA-N 2 1 341.540 2.239 20 30 EEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899548 1299473347 /nfs/dbraw/zinc/47/33/47/1299473347.db2.gz VHLWFEJKMLUSRB-SJORKVTESA-N 2 1 341.540 2.239 20 30 EEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099899548 1299473357 /nfs/dbraw/zinc/47/33/57/1299473357.db2.gz VHLWFEJKMLUSRB-SJORKVTESA-N 2 1 341.540 2.239 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001228106532 1302107126 /nfs/dbraw/zinc/10/71/26/1302107126.db2.gz VRPOUCYFBMFGTF-CQSZACIVSA-N 2 1 334.464 2.285 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001103536810 1303084733 /nfs/dbraw/zinc/08/47/33/1303084733.db2.gz DEVBIYMKTUTPGJ-VQIMIIECSA-N 2 1 327.472 2.069 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001230574314 1303287382 /nfs/dbraw/zinc/28/73/82/1303287382.db2.gz BCVLLRKXLZDFQT-SFHVURJKSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230574314 1303287385 /nfs/dbraw/zinc/28/73/85/1303287385.db2.gz BCVLLRKXLZDFQT-SFHVURJKSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230574314 1303287388 /nfs/dbraw/zinc/28/73/88/1303287388.db2.gz BCVLLRKXLZDFQT-SFHVURJKSA-N 2 1 333.520 2.443 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)Cc1cccnc1 ZINC001230777720 1303450002 /nfs/dbraw/zinc/45/00/02/1303450002.db2.gz CUMPSZRMEWBPBR-UHFFFAOYSA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)C[NH+](C)C1CCC1)Cc1cccnc1 ZINC001230777720 1303450003 /nfs/dbraw/zinc/45/00/03/1303450003.db2.gz CUMPSZRMEWBPBR-UHFFFAOYSA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)C[NH+](C)C1CCC1)Cc1cccnc1 ZINC001230777720 1303450005 /nfs/dbraw/zinc/45/00/05/1303450005.db2.gz CUMPSZRMEWBPBR-UHFFFAOYSA-N 2 1 344.503 2.450 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001104213758 1303652593 /nfs/dbraw/zinc/65/25/93/1303652593.db2.gz OVOLDULUXJUUER-BRWVUGGUSA-N 2 1 330.476 2.104 20 30 EEEDMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001111861643 1304017655 /nfs/dbraw/zinc/01/76/55/1304017655.db2.gz XAIPUMPPUVUIQH-KSSFIOAISA-N 2 1 346.500 2.042 20 30 EEEDMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4CC#N)C[C@@H]3C2)cn1 ZINC001235515092 1305261235 /nfs/dbraw/zinc/26/12/35/1305261235.db2.gz UBALRLBTRUAHMZ-RTWAWAEBSA-N 2 1 349.482 2.440 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4CC#N)C[C@@H]3C2)cn1 ZINC001235515092 1305261239 /nfs/dbraw/zinc/26/12/39/1305261239.db2.gz UBALRLBTRUAHMZ-RTWAWAEBSA-N 2 1 349.482 2.440 20 30 EEEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4CC#N)C[C@@H]3C2)cn1 ZINC001235515092 1305261243 /nfs/dbraw/zinc/26/12/43/1305261243.db2.gz UBALRLBTRUAHMZ-RTWAWAEBSA-N 2 1 349.482 2.440 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4CC#N)C[C@@H]3C2)cn1 ZINC001235515092 1305261247 /nfs/dbraw/zinc/26/12/47/1305261247.db2.gz UBALRLBTRUAHMZ-RTWAWAEBSA-N 2 1 349.482 2.440 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4CC#N)C[C@@H]3C2)cn1 ZINC001235515092 1305261250 /nfs/dbraw/zinc/26/12/50/1305261250.db2.gz UBALRLBTRUAHMZ-RTWAWAEBSA-N 2 1 349.482 2.440 20 30 EEEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)(C)CO)cc1C#N ZINC001277968528 1305389728 /nfs/dbraw/zinc/38/97/28/1305389728.db2.gz USPMADMEKOFUGQ-ALOPSCKCSA-N 2 1 330.476 2.000 20 30 EEEDMP C=CCOc1ccccc1C[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001237430205 1305929508 /nfs/dbraw/zinc/92/95/08/1305929508.db2.gz KLJUVMHSXPLAFJ-KRWDZBQOSA-N 2 1 344.455 2.226 20 30 EEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120169848 1309364115 /nfs/dbraw/zinc/36/41/15/1309364115.db2.gz AVVWINWMPBOLOI-QGZVFWFLSA-N 2 1 337.508 2.082 20 30 EEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120169848 1309364126 /nfs/dbraw/zinc/36/41/26/1309364126.db2.gz AVVWINWMPBOLOI-QGZVFWFLSA-N 2 1 337.508 2.082 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)Cn1cc[nH+]c1C ZINC001162996948 1321008166 /nfs/dbraw/zinc/00/81/66/1321008166.db2.gz HXUGIGHSDXUYHF-UHFFFAOYSA-N 2 1 326.444 2.038 20 30 EEEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001162996848 1321008301 /nfs/dbraw/zinc/00/83/01/1321008301.db2.gz CQZYCIWPMQSOQJ-LJQANCHMSA-N 2 1 329.488 2.175 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150395676 1316257087 /nfs/dbraw/zinc/25/70/87/1316257087.db2.gz WELAPBKLFQPBAB-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606583 1316313489 /nfs/dbraw/zinc/31/34/89/1316313489.db2.gz HGOPTFXURNTHRE-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCC[NH+]1CCC(CCOC)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001151216508 1316480002 /nfs/dbraw/zinc/48/00/02/1316480002.db2.gz QTESDJSYXMWTPB-UHFFFAOYSA-N 2 1 348.491 2.145 20 30 EEEDMP CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386199 1316664604 /nfs/dbraw/zinc/66/46/04/1316664604.db2.gz DACXGCAHDRZCOM-VQIMIIECSA-N 2 1 345.462 2.098 20 30 EEEDMP CC[NH+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152386199 1316664606 /nfs/dbraw/zinc/66/46/06/1316664606.db2.gz DACXGCAHDRZCOM-VQIMIIECSA-N 2 1 345.462 2.098 20 30 EEEDMP CC[NH+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152386199 1316664609 /nfs/dbraw/zinc/66/46/09/1316664609.db2.gz DACXGCAHDRZCOM-VQIMIIECSA-N 2 1 345.462 2.098 20 30 EEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001155394425 1317578315 /nfs/dbraw/zinc/57/83/15/1317578315.db2.gz MEGCQLLIAAQWDJ-RLLQIKCJSA-N 2 1 341.499 2.182 20 30 EEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001155394425 1317578322 /nfs/dbraw/zinc/57/83/22/1317578322.db2.gz MEGCQLLIAAQWDJ-RLLQIKCJSA-N 2 1 341.499 2.182 20 30 EEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001155394425 1317578325 /nfs/dbraw/zinc/57/83/25/1317578325.db2.gz MEGCQLLIAAQWDJ-RLLQIKCJSA-N 2 1 341.499 2.182 20 30 EEEDMP CCCCCCCCCC[C@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252983553 1317745705 /nfs/dbraw/zinc/74/57/05/1317745705.db2.gz XQDOPUPJYVDZQE-IBGZPJMESA-N 2 1 346.556 2.144 20 30 EEEDMP C=C[C@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001253576955 1317885288 /nfs/dbraw/zinc/88/52/88/1317885288.db2.gz JDIHHBIFTIOZJA-CVEARBPZSA-N 2 1 336.501 2.350 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158290133 1319146771 /nfs/dbraw/zinc/14/67/71/1319146771.db2.gz YTUFAJPOMPPOSQ-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001159839232 1320002441 /nfs/dbraw/zinc/00/24/41/1320002441.db2.gz VHIVFMVNUPAKDT-FQEVSTJZSA-N 2 1 341.499 2.112 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001160267720 1320117077 /nfs/dbraw/zinc/11/70/77/1320117077.db2.gz QOCUEWGQPWKZSV-LJQANCHMSA-N 2 1 327.472 2.008 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161699299 1320592069 /nfs/dbraw/zinc/59/20/69/1320592069.db2.gz RFCDNRCHUDCFSS-MRXNPFEDSA-N 2 1 325.884 2.219 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161699299 1320592074 /nfs/dbraw/zinc/59/20/74/1320592074.db2.gz RFCDNRCHUDCFSS-MRXNPFEDSA-N 2 1 325.884 2.219 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161699299 1320592077 /nfs/dbraw/zinc/59/20/77/1320592077.db2.gz RFCDNRCHUDCFSS-MRXNPFEDSA-N 2 1 325.884 2.219 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161699299 1320592080 /nfs/dbraw/zinc/59/20/80/1320592080.db2.gz RFCDNRCHUDCFSS-MRXNPFEDSA-N 2 1 325.884 2.219 20 30 EEEDMP C=CCCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)(COC)CC1 ZINC001162604178 1320909782 /nfs/dbraw/zinc/90/97/82/1320909782.db2.gz KNNBUCHXKDPBLY-UHFFFAOYSA-N 2 1 348.491 2.003 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001166677600 1321763341 /nfs/dbraw/zinc/76/33/41/1321763341.db2.gz KQLFQXSTQIKSLB-MRXNPFEDSA-N 2 1 347.890 2.129 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001166758050 1321782719 /nfs/dbraw/zinc/78/27/19/1321782719.db2.gz AYUGERCPHWMHOB-UHFFFAOYSA-N 2 1 346.450 2.025 20 30 EEEDMP C[NH+](C)CCCOc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1 ZINC001204268997 1322097519 /nfs/dbraw/zinc/09/75/19/1322097519.db2.gz RXKCPTGNOIUMHA-UHFFFAOYSA-N 2 1 330.476 2.048 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001206890505 1323674026 /nfs/dbraw/zinc/67/40/26/1323674026.db2.gz VHEROSOGGVZUNX-UHFFFAOYSA-N 2 1 341.499 2.208 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208429759 1324492113 /nfs/dbraw/zinc/49/21/13/1324492113.db2.gz LPVQDYYPJOCKHX-QGPMSJSTSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208429759 1324492116 /nfs/dbraw/zinc/49/21/16/1324492116.db2.gz LPVQDYYPJOCKHX-QGPMSJSTSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209277180 1324881171 /nfs/dbraw/zinc/88/11/71/1324881171.db2.gz HHTRDVYHCWCINK-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209642142 1324997988 /nfs/dbraw/zinc/99/79/88/1324997988.db2.gz MLUXNVBLWLWLHP-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209952966 1325108436 /nfs/dbraw/zinc/10/84/36/1325108436.db2.gz RRVISFMJQIDYGW-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001210349258 1325249946 /nfs/dbraw/zinc/24/99/46/1325249946.db2.gz ITXVHFUKFXRANO-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001502829657 1342233309 /nfs/dbraw/zinc/23/33/09/1342233309.db2.gz ZDTWCVNZYNCNBR-HNNXBMFYSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001502829657 1342233313 /nfs/dbraw/zinc/23/33/13/1342233313.db2.gz ZDTWCVNZYNCNBR-HNNXBMFYSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001502829657 1342233315 /nfs/dbraw/zinc/23/33/15/1342233315.db2.gz ZDTWCVNZYNCNBR-HNNXBMFYSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001502829657 1342233316 /nfs/dbraw/zinc/23/33/16/1342233316.db2.gz ZDTWCVNZYNCNBR-HNNXBMFYSA-N 2 1 327.900 2.440 20 30 EEEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC001647559979 1353326050 /nfs/dbraw/zinc/32/60/50/1353326050.db2.gz POLYTWFVCNPVRF-OALUTQOASA-N 2 1 343.471 2.010 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099265421 1370995200 /nfs/dbraw/zinc/99/52/00/1370995200.db2.gz IYEOUPINDIPFNT-BFHYXJOUSA-N 2 1 333.398 2.026 20 30 EEEDMP N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001378137777 1379732034 /nfs/dbraw/zinc/73/20/34/1379732034.db2.gz XCGUPNBDIOWWFU-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001378137777 1379732040 /nfs/dbraw/zinc/73/20/40/1379732040.db2.gz XCGUPNBDIOWWFU-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001382358813 1382085685 /nfs/dbraw/zinc/08/56/85/1382085685.db2.gz URIJCOMIVUPHLG-APWZRJJASA-N 2 1 342.487 2.275 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)C1CC[NH+](C)CC1 ZINC001393629770 1390501600 /nfs/dbraw/zinc/50/16/00/1390501600.db2.gz INFYIOOPVLHRKJ-UHFFFAOYSA-N 2 1 342.487 2.180 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001398689809 1394152193 /nfs/dbraw/zinc/15/21/93/1394152193.db2.gz HIJQVURTEAXDFV-INIZCTEOSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001398689809 1394152196 /nfs/dbraw/zinc/15/21/96/1394152196.db2.gz HIJQVURTEAXDFV-INIZCTEOSA-N 2 1 327.900 2.299 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(C#N)c1 ZINC001399904506 1395625972 /nfs/dbraw/zinc/62/59/72/1395625972.db2.gz OIVWBLSYZTWPTA-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001399904506 1395625987 /nfs/dbraw/zinc/62/59/87/1395625987.db2.gz OIVWBLSYZTWPTA-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001399904506 1395626003 /nfs/dbraw/zinc/62/60/03/1395626003.db2.gz OIVWBLSYZTWPTA-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001400178106 1396013235 /nfs/dbraw/zinc/01/32/35/1396013235.db2.gz ABKCYBZFJSJSON-LPHOPBHVSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001401285747 1397120105 /nfs/dbraw/zinc/12/01/05/1397120105.db2.gz AVDDZKXTCCECTH-JSGCOSHPSA-N 2 1 346.313 2.063 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(CC)cc1 ZINC001754313564 1406889157 /nfs/dbraw/zinc/88/91/57/1406889157.db2.gz YMUOTMRPIOWTLD-XLIONFOSSA-N 2 1 341.499 2.283 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(CC)cc1 ZINC001754313564 1406889161 /nfs/dbraw/zinc/88/91/61/1406889161.db2.gz YMUOTMRPIOWTLD-XLIONFOSSA-N 2 1 341.499 2.283 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(CC)cc1 ZINC001754313564 1406889164 /nfs/dbraw/zinc/88/91/64/1406889164.db2.gz YMUOTMRPIOWTLD-XLIONFOSSA-N 2 1 341.499 2.283 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(CC)cc1 ZINC001754313564 1406889168 /nfs/dbraw/zinc/88/91/68/1406889168.db2.gz YMUOTMRPIOWTLD-XLIONFOSSA-N 2 1 341.499 2.283 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001401985985 1397707685 /nfs/dbraw/zinc/70/76/85/1397707685.db2.gz LKTUFVDWHZUJIH-UHFFFAOYSA-N 2 1 344.297 2.009 20 30 EEEDMP C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1cccc(C#N)c1)CC[NH2+]CC2 ZINC001576638029 1403594832 /nfs/dbraw/zinc/59/48/32/1403594832.db2.gz MTWZLHSTOZAOJL-HNNXBMFYSA-N 2 1 326.444 2.351 20 30 EEEDMP C=CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001755852301 1407905278 /nfs/dbraw/zinc/90/52/78/1407905278.db2.gz RJNHQFFOFUMUNY-KGLIPLIRSA-N 2 1 335.414 2.273 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](O)C1 ZINC001100038702 1410514976 /nfs/dbraw/zinc/51/49/76/1410514976.db2.gz LTCHHBRXWSGISP-ZWKOTPCHSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038702 1410514981 /nfs/dbraw/zinc/51/49/81/1410514981.db2.gz LTCHHBRXWSGISP-ZWKOTPCHSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038702 1410514984 /nfs/dbraw/zinc/51/49/84/1410514984.db2.gz LTCHHBRXWSGISP-ZWKOTPCHSA-N 2 1 339.524 2.016 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001100677034 1410694475 /nfs/dbraw/zinc/69/44/75/1410694475.db2.gz WSVZTDXYGDJKEY-NFOMZHRRSA-N 2 1 346.500 2.088 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167236899 757548172 /nfs/dbraw/zinc/54/81/72/757548172.db2.gz RRIKCIPAIMDXBM-UHFFFAOYSA-N 2 1 327.900 2.347 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001075410489 759377409 /nfs/dbraw/zinc/37/74/09/759377409.db2.gz CODAWNQOIOWLBA-QUCCMNQESA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001114988243 759778646 /nfs/dbraw/zinc/77/86/46/759778646.db2.gz AZUXFSARXFYRRS-FXUDXRNXSA-N 2 1 327.900 2.152 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001114988243 759778658 /nfs/dbraw/zinc/77/86/58/759778658.db2.gz AZUXFSARXFYRRS-FXUDXRNXSA-N 2 1 327.900 2.152 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001075461691 760936470 /nfs/dbraw/zinc/93/64/70/760936470.db2.gz OPLRYBMWEPMGHA-SFHVURJKSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317604 761614372 /nfs/dbraw/zinc/61/43/72/761614372.db2.gz KMMUSXIJTYXPSZ-NJAFHUGGSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317604 761614376 /nfs/dbraw/zinc/61/43/76/761614376.db2.gz KMMUSXIJTYXPSZ-NJAFHUGGSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782759 765539150 /nfs/dbraw/zinc/53/91/50/765539150.db2.gz WYTDPHIMGVOYGW-NSHGMRRFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782759 765539157 /nfs/dbraw/zinc/53/91/57/765539157.db2.gz WYTDPHIMGVOYGW-NSHGMRRFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782759 765539164 /nfs/dbraw/zinc/53/91/64/765539164.db2.gz WYTDPHIMGVOYGW-NSHGMRRFSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089511362 770029358 /nfs/dbraw/zinc/02/93/58/770029358.db2.gz RKGHZXNSKGDMDA-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101397019 783008638 /nfs/dbraw/zinc/00/86/38/783008638.db2.gz VWLNENQSJBGHRF-HBFSDRIKSA-N 2 1 333.520 2.156 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980138971 773928273 /nfs/dbraw/zinc/92/82/73/773928273.db2.gz IEOLWAZQURGSTR-KSZLIROESA-N 2 1 336.439 2.188 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980165984 773991010 /nfs/dbraw/zinc/99/10/10/773991010.db2.gz VTDJZLQNZQIPSA-XIRDDKMYSA-N 2 1 331.460 2.358 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656557 774021054 /nfs/dbraw/zinc/02/10/54/774021054.db2.gz JSGNXEQMWSTIMY-QGZVFWFLSA-N 2 1 331.504 2.102 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297862 775388213 /nfs/dbraw/zinc/38/82/13/775388213.db2.gz NMDSYIKTVVFNPM-BRSBDYLESA-N 2 1 339.524 2.112 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297862 775388224 /nfs/dbraw/zinc/38/82/24/775388224.db2.gz NMDSYIKTVVFNPM-BRSBDYLESA-N 2 1 339.524 2.112 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297862 775388239 /nfs/dbraw/zinc/38/82/39/775388239.db2.gz NMDSYIKTVVFNPM-BRSBDYLESA-N 2 1 339.524 2.112 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981959048 778665397 /nfs/dbraw/zinc/66/53/97/778665397.db2.gz WWCRDIXMXZEXCI-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981959048 778665400 /nfs/dbraw/zinc/66/54/00/778665400.db2.gz WWCRDIXMXZEXCI-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981959048 778665403 /nfs/dbraw/zinc/66/54/03/778665403.db2.gz WWCRDIXMXZEXCI-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001127685766 778908032 /nfs/dbraw/zinc/90/80/32/778908032.db2.gz SQTLSXXLUDRBRJ-OAHLLOKOSA-N 2 1 339.443 2.174 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CC[C@@H](C)F)C3)CC1 ZINC000982162291 779180848 /nfs/dbraw/zinc/18/08/48/779180848.db2.gz MIVWEYWOMBPFSC-QGZVFWFLSA-N 2 1 349.494 2.004 20 30 EEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@]2(C)C1 ZINC000982299556 779626958 /nfs/dbraw/zinc/62/69/58/779626958.db2.gz IAHLRKGZZXCROR-RGCFKVTRSA-N 2 1 328.460 2.260 20 30 EEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@]2(C)C1 ZINC000982299556 779626964 /nfs/dbraw/zinc/62/69/64/779626964.db2.gz IAHLRKGZZXCROR-RGCFKVTRSA-N 2 1 328.460 2.260 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC001088862765 790923199 /nfs/dbraw/zinc/92/31/99/790923199.db2.gz RZOPPVQQKUJTRK-ZBFHGGJFSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001088862765 790923209 /nfs/dbraw/zinc/92/32/09/790923209.db2.gz RZOPPVQQKUJTRK-ZBFHGGJFSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001088862765 790923221 /nfs/dbraw/zinc/92/32/21/790923221.db2.gz RZOPPVQQKUJTRK-ZBFHGGJFSA-N 2 1 332.448 2.039 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001035194821 784085488 /nfs/dbraw/zinc/08/54/88/784085488.db2.gz GIVFLJDLUOCWOX-ROUUACIJSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C[C@@H](F)CC)C2)CC1 ZINC001035194821 784085491 /nfs/dbraw/zinc/08/54/91/784085491.db2.gz GIVFLJDLUOCWOX-ROUUACIJSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001035194821 784085494 /nfs/dbraw/zinc/08/54/94/784085494.db2.gz GIVFLJDLUOCWOX-ROUUACIJSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C[C@@H](F)CC)C2)CC1 ZINC001035194821 784085497 /nfs/dbraw/zinc/08/54/97/784085497.db2.gz GIVFLJDLUOCWOX-ROUUACIJSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C[C@@H](F)CC)C2)CC1 ZINC001035194821 784085500 /nfs/dbraw/zinc/08/55/00/784085500.db2.gz GIVFLJDLUOCWOX-ROUUACIJSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035215809 784139955 /nfs/dbraw/zinc/13/99/55/784139955.db2.gz NOIKZKMERFEVQD-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215809 784139958 /nfs/dbraw/zinc/13/99/58/784139958.db2.gz NOIKZKMERFEVQD-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215809 784139960 /nfs/dbraw/zinc/13/99/60/784139960.db2.gz NOIKZKMERFEVQD-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135974407 784920345 /nfs/dbraw/zinc/92/03/45/784920345.db2.gz ORZXYMZITPZJOD-KBPBESRZSA-N 2 1 348.329 2.500 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135976827 784926735 /nfs/dbraw/zinc/92/67/35/784926735.db2.gz OEYPMJOFEQCANC-GJZGRUSLSA-N 2 1 348.466 2.412 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC000996311703 786250959 /nfs/dbraw/zinc/25/09/59/786250959.db2.gz UALADVVNLWXYSD-NVXWUHKLSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996312429 786252326 /nfs/dbraw/zinc/25/23/26/786252326.db2.gz ZIDLNLVPPXOKIQ-CQSZACIVSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521244 787502229 /nfs/dbraw/zinc/50/22/29/787502229.db2.gz TZZMASSPRMRFLI-NVXWUHKLSA-N 2 1 339.911 2.442 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816131 788524030 /nfs/dbraw/zinc/52/40/30/788524030.db2.gz AWXJNUNLFXHOHM-HKUYNNGSSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107816131 788524038 /nfs/dbraw/zinc/52/40/38/788524038.db2.gz AWXJNUNLFXHOHM-HKUYNNGSSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001107816131 788524048 /nfs/dbraw/zinc/52/40/48/788524048.db2.gz AWXJNUNLFXHOHM-HKUYNNGSSA-N 2 1 339.524 2.258 20 30 EEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001005892755 788716390 /nfs/dbraw/zinc/71/63/90/788716390.db2.gz UJDCXXCWNXDBQG-MRXNPFEDSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001005985957 789150205 /nfs/dbraw/zinc/15/02/05/789150205.db2.gz IISSKDPZJNRDFM-LJQANCHMSA-N 2 1 337.483 2.145 20 30 EEEDMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000948040395 791889755 /nfs/dbraw/zinc/88/97/55/791889755.db2.gz PJCWTBHPTBTXSU-LSDHHAIUSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998091467 791946162 /nfs/dbraw/zinc/94/61/62/791946162.db2.gz BPLRJCTYBSGHAB-ROUUACIJSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998091467 791946164 /nfs/dbraw/zinc/94/61/64/791946164.db2.gz BPLRJCTYBSGHAB-ROUUACIJSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000998195852 792201136 /nfs/dbraw/zinc/20/11/36/792201136.db2.gz IDMGTZWDUFROFO-IBGZPJMESA-N 2 1 333.520 2.443 20 30 EEEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001107981752 792356674 /nfs/dbraw/zinc/35/66/74/792356674.db2.gz FLIDNRHRXSRJAS-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001148893953 792766791 /nfs/dbraw/zinc/76/67/91/792766791.db2.gz XQTRMSQWXXJSBY-UHFFFAOYSA-N 2 1 327.472 2.229 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001148893953 792766800 /nfs/dbraw/zinc/76/68/00/792766800.db2.gz XQTRMSQWXXJSBY-UHFFFAOYSA-N 2 1 327.472 2.229 20 30 EEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893953 792766807 /nfs/dbraw/zinc/76/68/07/792766807.db2.gz XQTRMSQWXXJSBY-UHFFFAOYSA-N 2 1 327.472 2.229 20 30 EEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893953 792766819 /nfs/dbraw/zinc/76/68/19/792766819.db2.gz XQTRMSQWXXJSBY-UHFFFAOYSA-N 2 1 327.472 2.229 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001086882728 792893611 /nfs/dbraw/zinc/89/36/11/792893611.db2.gz IFWBHENPSFJQSN-ARFHVFGLSA-N 2 1 327.900 2.488 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942630 793035009 /nfs/dbraw/zinc/03/50/09/793035009.db2.gz WZGNYAFUWCPBBZ-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992189185 793142558 /nfs/dbraw/zinc/14/25/58/793142558.db2.gz MKVDULQPCWHZKI-PWIZWCRZSA-N 2 1 349.494 2.335 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992189185 793142563 /nfs/dbraw/zinc/14/25/63/793142563.db2.gz MKVDULQPCWHZKI-PWIZWCRZSA-N 2 1 349.494 2.335 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992189185 793142567 /nfs/dbraw/zinc/14/25/67/793142567.db2.gz MKVDULQPCWHZKI-PWIZWCRZSA-N 2 1 349.494 2.335 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001091860926 793362596 /nfs/dbraw/zinc/36/25/96/793362596.db2.gz PGVQOQNJDAFIPD-UZLBHIALSA-N 2 1 342.487 2.118 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001091860926 793362601 /nfs/dbraw/zinc/36/26/01/793362601.db2.gz PGVQOQNJDAFIPD-UZLBHIALSA-N 2 1 342.487 2.118 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992316030 793641343 /nfs/dbraw/zinc/64/13/43/793641343.db2.gz LSCCSBCTEABLPB-FPOVZHCZSA-N 2 1 339.483 2.498 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092189999 793652155 /nfs/dbraw/zinc/65/21/55/793652155.db2.gz LRKNXMQSZAFZRX-GGPKGHCWSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092189999 793652160 /nfs/dbraw/zinc/65/21/60/793652160.db2.gz LRKNXMQSZAFZRX-GGPKGHCWSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092189999 793652167 /nfs/dbraw/zinc/65/21/67/793652167.db2.gz LRKNXMQSZAFZRX-GGPKGHCWSA-N 2 1 331.504 2.055 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000999189085 793974651 /nfs/dbraw/zinc/97/46/51/793974651.db2.gz HZGWRZZKRIHSRD-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854592 794417739 /nfs/dbraw/zinc/41/77/39/794417739.db2.gz QUERNZJFSQGLLZ-IEBWSBKVSA-N 2 1 341.499 2.112 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999506529 794556569 /nfs/dbraw/zinc/55/65/69/794556569.db2.gz BNVOJFUPZMDXSJ-RHSMWYFYSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093382654 795123827 /nfs/dbraw/zinc/12/38/27/795123827.db2.gz CMBULRBYJSRXAV-RTBURBONSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093382654 795123830 /nfs/dbraw/zinc/12/38/30/795123830.db2.gz CMBULRBYJSRXAV-RTBURBONSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093382654 795123833 /nfs/dbraw/zinc/12/38/33/795123833.db2.gz CMBULRBYJSRXAV-RTBURBONSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093383809 795126503 /nfs/dbraw/zinc/12/65/03/795126503.db2.gz PDVJMABQSBIPPY-RTBURBONSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093383809 795126511 /nfs/dbraw/zinc/12/65/11/795126511.db2.gz PDVJMABQSBIPPY-RTBURBONSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093383809 795126516 /nfs/dbraw/zinc/12/65/16/795126516.db2.gz PDVJMABQSBIPPY-RTBURBONSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001079879206 795312613 /nfs/dbraw/zinc/31/26/13/795312613.db2.gz GQCDGSNLVJSEPM-QRQLOZEOSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089959843 795610838 /nfs/dbraw/zinc/61/08/38/795610838.db2.gz RXFGWCBAQKJLBE-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089959843 795610841 /nfs/dbraw/zinc/61/08/41/795610841.db2.gz RXFGWCBAQKJLBE-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089959843 795610844 /nfs/dbraw/zinc/61/08/44/795610844.db2.gz RXFGWCBAQKJLBE-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001108023351 795626160 /nfs/dbraw/zinc/62/61/60/795626160.db2.gz ZXZLMESOKVNAHA-LJQANCHMSA-N 2 1 349.519 2.036 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCC3CC3)C2)CC1 ZINC001036901958 796438624 /nfs/dbraw/zinc/43/86/24/796438624.db2.gz BILSPAHDJSIFLR-WOJBJXKFSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081673051 796846781 /nfs/dbraw/zinc/84/67/81/796846781.db2.gz VGBRNOLCTDAOFT-QXAKKESOSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081673051 796846787 /nfs/dbraw/zinc/84/67/87/796846787.db2.gz VGBRNOLCTDAOFT-QXAKKESOSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081673051 796846788 /nfs/dbraw/zinc/84/67/88/796846788.db2.gz VGBRNOLCTDAOFT-QXAKKESOSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C/C=C\Cl)[C@H]2C)CC1 ZINC000994494836 798093867 /nfs/dbraw/zinc/09/38/67/798093867.db2.gz FVDPCSTWVHDSAL-QHZJYWCMSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C/C=C\Cl)[C@H]2C)CC1 ZINC000994494836 798093873 /nfs/dbraw/zinc/09/38/73/798093873.db2.gz FVDPCSTWVHDSAL-QHZJYWCMSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)[C@@H]2C)CC1 ZINC000994494885 798094331 /nfs/dbraw/zinc/09/43/31/798094331.db2.gz FWDNIIRKHKWIGA-VQIMIIECSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001032827222 798455243 /nfs/dbraw/zinc/45/52/43/798455243.db2.gz MYASNDRBOFMJQM-SNRMKQJTSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@@H](C)c2cccc(F)c2)C1 ZINC001032827222 798455244 /nfs/dbraw/zinc/45/52/44/798455244.db2.gz MYASNDRBOFMJQM-SNRMKQJTSA-N 2 1 343.446 2.175 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941621 798568748 /nfs/dbraw/zinc/56/87/48/798568748.db2.gz TZHYZIKOVUEXSL-QYZOEREBSA-N 2 1 331.504 2.217 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101257 798674974 /nfs/dbraw/zinc/67/49/74/798674974.db2.gz AKLMAPDNJBLMAT-HOJAQTOUSA-N 2 1 339.483 2.235 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101257 798674975 /nfs/dbraw/zinc/67/49/75/798674975.db2.gz AKLMAPDNJBLMAT-HOJAQTOUSA-N 2 1 339.483 2.235 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001177328440 798864966 /nfs/dbraw/zinc/86/49/66/798864966.db2.gz KYFXPPHKOZAARF-IEBWSBKVSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001179071108 799769055 /nfs/dbraw/zinc/76/90/55/799769055.db2.gz ADDKIEDRGHYYKE-QPIRBTGLSA-N 2 1 349.519 2.082 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001085224859 800257071 /nfs/dbraw/zinc/25/70/71/800257071.db2.gz YNZBIIAEDWIHAX-GUDVDZBRSA-N 2 1 349.519 2.223 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1 ZINC001085422379 800480978 /nfs/dbraw/zinc/48/09/78/800480978.db2.gz QZYXQKOOBHZQGG-GUDVDZBRSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001184331133 801988515 /nfs/dbraw/zinc/98/85/15/801988515.db2.gz IIQYEOSUACPTRP-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004439800 802048340 /nfs/dbraw/zinc/04/83/40/802048340.db2.gz WSUDJAWNLLFJKZ-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004439804 802048813 /nfs/dbraw/zinc/04/88/13/802048813.db2.gz WSUDJAWNLLFJKZ-WOJBJXKFSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=C)Cl)C[C@H]2CC1 ZINC000946628454 802370308 /nfs/dbraw/zinc/37/03/08/802370308.db2.gz RBUIZXCSXGXBEL-KSZLIROESA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=C)Cl)C[C@H]2CC1 ZINC000946628454 802370312 /nfs/dbraw/zinc/37/03/12/802370312.db2.gz RBUIZXCSXGXBEL-KSZLIROESA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=C)Cl)C[C@H]2CC1 ZINC000946628454 802370320 /nfs/dbraw/zinc/37/03/20/802370320.db2.gz RBUIZXCSXGXBEL-KSZLIROESA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=C)Cl)C[C@H]2CC1 ZINC000946628454 802370326 /nfs/dbraw/zinc/37/03/26/802370326.db2.gz RBUIZXCSXGXBEL-KSZLIROESA-N 2 1 349.906 2.007 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946645002 802577631 /nfs/dbraw/zinc/57/76/31/802577631.db2.gz MGOOKKRTJZFHLX-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645002 802577634 /nfs/dbraw/zinc/57/76/34/802577634.db2.gz MGOOKKRTJZFHLX-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645002 802577637 /nfs/dbraw/zinc/57/76/37/802577637.db2.gz MGOOKKRTJZFHLX-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001108258268 802613106 /nfs/dbraw/zinc/61/31/06/802613106.db2.gz PTCRSJQFOXXWJQ-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419242 803510188 /nfs/dbraw/zinc/51/01/88/803510188.db2.gz FTZYALHODAUAHH-LJQANCHMSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001086609491 810022189 /nfs/dbraw/zinc/02/21/89/810022189.db2.gz JMJNCVBPLRFYAU-YTQUADARSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001086609491 810022196 /nfs/dbraw/zinc/02/21/96/810022196.db2.gz JMJNCVBPLRFYAU-YTQUADARSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001086609491 810022204 /nfs/dbraw/zinc/02/22/04/810022204.db2.gz JMJNCVBPLRFYAU-YTQUADARSA-N 2 1 327.472 2.098 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001442198552 1096477856 /nfs/dbraw/zinc/47/78/56/1096477856.db2.gz HAPHTQIIXGLJSC-CABCVRRESA-N 2 1 348.516 2.479 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001443340747 1097858566 /nfs/dbraw/zinc/85/85/66/1097858566.db2.gz KNBXIZSBAXRFBO-LJQANCHMSA-N 2 1 342.487 2.180 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001443340747 1097858575 /nfs/dbraw/zinc/85/85/75/1097858575.db2.gz KNBXIZSBAXRFBO-LJQANCHMSA-N 2 1 342.487 2.180 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001495667973 1101409808 /nfs/dbraw/zinc/40/98/08/1101409808.db2.gz SZXGJANBAONPLZ-JSGCOSHPSA-N 2 1 346.313 2.110 20 30 EEEDMP CCCC[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001448244608 1104235839 /nfs/dbraw/zinc/23/58/39/1104235839.db2.gz GKLFXDBZXLYSFM-RTBURBONSA-N 2 1 342.487 2.417 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001508118373 1115422898 /nfs/dbraw/zinc/42/28/98/1115422898.db2.gz KBPKCPGFRLCMNV-MHJFOBGBSA-N 2 1 339.483 2.101 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(OC)c(C#N)c1 ZINC000349042826 285250824 /nfs/dbraw/zinc/25/08/24/285250824.db2.gz WNNJXEHBYIQBAF-LJQANCHMSA-N 2 1 344.503 2.415 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942209345 781985829 /nfs/dbraw/zinc/98/58/29/781985829.db2.gz VSMUHSPCKIKJTG-GDBMZVCRSA-N 2 1 334.464 2.143 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942209345 781985838 /nfs/dbraw/zinc/98/58/38/781985838.db2.gz VSMUHSPCKIKJTG-GDBMZVCRSA-N 2 1 334.464 2.143 20 30 EEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000442881784 267059119 /nfs/dbraw/zinc/05/91/19/267059119.db2.gz NZPZKKYVZVNLHV-GOSISDBHSA-N 2 1 331.460 2.500 20 30 EEEDMP [O-]C(=[NH+]C[C@@H]1CCCn2ccnc21)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000328614356 465071660 /nfs/dbraw/zinc/07/16/60/465071660.db2.gz RAJZWEQPHBOYFC-UONOGXRCSA-N 2 1 328.420 2.277 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000329024200 465207797 /nfs/dbraw/zinc/20/77/97/465207797.db2.gz IYMIHVAEYUURSZ-CQSZACIVSA-N 2 1 347.463 2.177 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000329024200 465207804 /nfs/dbraw/zinc/20/78/04/465207804.db2.gz IYMIHVAEYUURSZ-CQSZACIVSA-N 2 1 347.463 2.177 20 30 EEEDMP CCN(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccco1 ZINC000264068166 464278079 /nfs/dbraw/zinc/27/80/79/464278079.db2.gz BZVPPYSDEMCPJI-CVEARBPZSA-N 2 1 335.496 2.051 20 30 EEEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C1 ZINC000264063612 464278793 /nfs/dbraw/zinc/27/87/93/464278793.db2.gz DNHALMCAXXUPSD-MRXNPFEDSA-N 2 1 330.476 2.065 20 30 EEEDMP C=CCNC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293481221 464406619 /nfs/dbraw/zinc/40/66/19/464406619.db2.gz YDWNYPSAOHESKO-UHFFFAOYSA-N 2 1 327.472 2.277 20 30 EEEDMP C=CC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000346335901 466086826 /nfs/dbraw/zinc/08/68/26/466086826.db2.gz ZIAXTJKSYOEXBV-OAHLLOKOSA-N 2 1 337.431 2.416 20 30 EEEDMP C=CC[N@H+](CCn1cc[nH+]c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000346335901 466086828 /nfs/dbraw/zinc/08/68/28/466086828.db2.gz ZIAXTJKSYOEXBV-OAHLLOKOSA-N 2 1 337.431 2.416 20 30 EEEDMP C=CCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000349523028 466132546 /nfs/dbraw/zinc/13/25/46/466132546.db2.gz OOWVAYDNICRXOC-UHFFFAOYSA-N 2 1 329.488 2.465 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]([NH3+])CCCC#N)c2)C[C@H](C)O1 ZINC000424143445 466989692 /nfs/dbraw/zinc/98/96/92/466989692.db2.gz JSXIFHGFTKCFKR-RVKKMQEKSA-N 2 1 344.459 2.255 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]([NH3+])CCCC#N)c2)C[C@H](C)O1 ZINC000424143445 466989695 /nfs/dbraw/zinc/98/96/95/466989695.db2.gz JSXIFHGFTKCFKR-RVKKMQEKSA-N 2 1 344.459 2.255 20 30 EEEDMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(OCCCC#N)c2)CC1(C)C ZINC000441382432 467571895 /nfs/dbraw/zinc/57/18/95/467571895.db2.gz UGAZJXJQXHWBMJ-UHFFFAOYSA-N 2 1 344.503 2.485 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2F)CC1 ZINC000565475451 468132538 /nfs/dbraw/zinc/13/25/38/468132538.db2.gz ACUDDVNVZUDJPV-GOSISDBHSA-N 2 1 336.451 2.333 20 30 EEEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000570721217 468683166 /nfs/dbraw/zinc/68/31/66/468683166.db2.gz UZABVZJWAHVCAU-QFBILLFUSA-N 2 1 326.444 2.176 20 30 EEEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000570721217 468683171 /nfs/dbraw/zinc/68/31/71/468683171.db2.gz UZABVZJWAHVCAU-QFBILLFUSA-N 2 1 326.444 2.176 20 30 EEEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000583867106 468766847 /nfs/dbraw/zinc/76/68/47/468766847.db2.gz RWXAWNGAEJGYRF-XLIONFOSSA-N 2 1 344.503 2.008 20 30 EEEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N(C)CCC#N ZINC000599657315 469327408 /nfs/dbraw/zinc/32/74/08/469327408.db2.gz FOGKZCKDZBERMM-INIZCTEOSA-N 2 1 330.476 2.331 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654431579 471956751 /nfs/dbraw/zinc/95/67/51/471956751.db2.gz REEMBODPIBDICG-MSOLQXFVSA-N 2 1 334.508 2.343 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000106334938 526593449 /nfs/dbraw/zinc/59/34/49/526593449.db2.gz JGVTVYHAEQTTMM-IAGOWNOFSA-N 2 1 336.524 2.447 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000732070345 577145791 /nfs/dbraw/zinc/14/57/91/577145791.db2.gz OSCMRLRBWNCMKI-IBGZPJMESA-N 2 1 327.472 2.194 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000732070345 577145793 /nfs/dbraw/zinc/14/57/93/577145793.db2.gz OSCMRLRBWNCMKI-IBGZPJMESA-N 2 1 327.472 2.194 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000772114259 577252486 /nfs/dbraw/zinc/25/24/86/577252486.db2.gz XYPNHLJIXIAQSO-UHFFFAOYSA-N 2 1 332.419 2.146 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039141025 675647248 /nfs/dbraw/zinc/64/72/48/675647248.db2.gz NFKSZJNTCMOBRZ-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141025 675647249 /nfs/dbraw/zinc/64/72/49/675647249.db2.gz NFKSZJNTCMOBRZ-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141025 675647251 /nfs/dbraw/zinc/64/72/51/675647251.db2.gz NFKSZJNTCMOBRZ-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001024365460 679883157 /nfs/dbraw/zinc/88/31/57/679883157.db2.gz AXZCUVYVZKAQNG-PBHICJAKSA-N 2 1 346.500 2.185 20 30 EEEDMP CN1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001024365460 679883158 /nfs/dbraw/zinc/88/31/58/679883158.db2.gz AXZCUVYVZKAQNG-PBHICJAKSA-N 2 1 346.500 2.185 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC001024366999 679883858 /nfs/dbraw/zinc/88/38/58/679883858.db2.gz WSQGWVODUNESDG-VQTJNVASSA-N 2 1 339.483 2.103 20 30 EEEDMP CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC001024366999 679883859 /nfs/dbraw/zinc/88/38/59/679883859.db2.gz WSQGWVODUNESDG-VQTJNVASSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590774 683052041 /nfs/dbraw/zinc/05/20/41/683052041.db2.gz RMPXSRWIMPAWPW-YLJYHZDGSA-N 2 1 345.531 2.348 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001026464446 684677914 /nfs/dbraw/zinc/67/79/14/684677914.db2.gz HBSAAYMIAQLRGU-CTWPCTMYSA-N 2 1 340.471 2.169 20 30 EEEDMP CC[C@@H](CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303906846 686943485 /nfs/dbraw/zinc/94/34/85/686943485.db2.gz WLZVUNSNAPANLW-KRWDZBQOSA-N 2 1 332.517 2.187 20 30 EEEDMP CC[C@@H](CNC(=[NH2+])N1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000303906846 686943489 /nfs/dbraw/zinc/94/34/89/686943489.db2.gz WLZVUNSNAPANLW-KRWDZBQOSA-N 2 1 332.517 2.187 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029758184 687022908 /nfs/dbraw/zinc/02/29/08/687022908.db2.gz UJILOCDAGKJGIB-AEFFLSMTSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029758184 687022912 /nfs/dbraw/zinc/02/29/12/687022912.db2.gz UJILOCDAGKJGIB-AEFFLSMTSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029758184 687022914 /nfs/dbraw/zinc/02/29/14/687022914.db2.gz UJILOCDAGKJGIB-AEFFLSMTSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2ccsc2)C1 ZINC001029758184 687022918 /nfs/dbraw/zinc/02/29/18/687022918.db2.gz UJILOCDAGKJGIB-AEFFLSMTSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2ccsc2)C1 ZINC001029758184 687022921 /nfs/dbraw/zinc/02/29/21/687022921.db2.gz UJILOCDAGKJGIB-AEFFLSMTSA-N 2 1 345.512 2.126 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414738 688011036 /nfs/dbraw/zinc/01/10/36/688011036.db2.gz VNEDGVFBTQDTNL-HZPDHXFCSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414738 688011041 /nfs/dbraw/zinc/01/10/41/688011041.db2.gz VNEDGVFBTQDTNL-HZPDHXFCSA-N 2 1 325.884 2.004 20 30 EEEDMP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1cnc[nH]1 ZINC000986348843 688521804 /nfs/dbraw/zinc/52/18/04/688521804.db2.gz BNGHWYHUDPRFAV-BLLLJJGKSA-N 2 1 343.456 2.055 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001482330580 1185414387 /nfs/dbraw/zinc/41/43/87/1185414387.db2.gz KIDTVVASXPWKQB-ZDUSSCGKSA-N 2 1 348.329 2.309 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001105425263 1186908013 /nfs/dbraw/zinc/90/80/13/1186908013.db2.gz FCCKMMBMLTXLKQ-VELGLUOQSA-N 2 1 341.499 2.319 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105518506 1188135765 /nfs/dbraw/zinc/13/57/65/1188135765.db2.gz ZWEWMLNVBHCQMV-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[N@H+](CC)CCO2)CCC1 ZINC001105578736 1188194913 /nfs/dbraw/zinc/19/49/13/1188194913.db2.gz GDXONXIIKBRQEC-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[N@@H+](CC)CCO2)CCC1 ZINC001105578736 1188194916 /nfs/dbraw/zinc/19/49/16/1188194916.db2.gz GDXONXIIKBRQEC-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)[C@H]1C ZINC001486183356 1193722495 /nfs/dbraw/zinc/72/24/95/1193722495.db2.gz GSKMPHNDTQEVAV-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@H]1C ZINC001486183356 1193722499 /nfs/dbraw/zinc/72/24/99/1193722499.db2.gz GSKMPHNDTQEVAV-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@H]1C ZINC001486183356 1193722504 /nfs/dbraw/zinc/72/25/04/1193722504.db2.gz GSKMPHNDTQEVAV-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033417278 1194539750 /nfs/dbraw/zinc/53/97/50/1194539750.db2.gz VUZZSPNJDDVVOD-LSDHHAIUSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033417278 1194539753 /nfs/dbraw/zinc/53/97/53/1194539753.db2.gz VUZZSPNJDDVVOD-LSDHHAIUSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033417278 1194539756 /nfs/dbraw/zinc/53/97/56/1194539756.db2.gz VUZZSPNJDDVVOD-LSDHHAIUSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033417278 1194539759 /nfs/dbraw/zinc/53/97/59/1194539759.db2.gz VUZZSPNJDDVVOD-LSDHHAIUSA-N 2 1 346.500 2.137 20 30 EEEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001005177232 1194666740 /nfs/dbraw/zinc/66/67/40/1194666740.db2.gz BSMCIVNDUXERDE-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001033683948 1195063730 /nfs/dbraw/zinc/06/37/30/1195063730.db2.gz JYKHDSMTJNVUEK-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960105 1195556664 /nfs/dbraw/zinc/55/66/64/1195556664.db2.gz YAVIZISHLNKJFB-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960105 1195556667 /nfs/dbraw/zinc/55/66/67/1195556667.db2.gz YAVIZISHLNKJFB-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001034972178 1196928760 /nfs/dbraw/zinc/92/87/60/1196928760.db2.gz COWBWNLYPJQGQG-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132933113 1200209952 /nfs/dbraw/zinc/20/99/52/1200209952.db2.gz OOHIWUAKDYASNE-HOTGVXAUSA-N 2 1 348.491 2.390 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@H]1C ZINC001133118754 1200472187 /nfs/dbraw/zinc/47/21/87/1200472187.db2.gz XJMGPDMUYFQIMP-CVEARBPZSA-N 2 1 346.475 2.144 20 30 EEEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000104174592 1204612340 /nfs/dbraw/zinc/61/23/40/1204612340.db2.gz QXQFIPZFRJGDEX-MRXNPFEDSA-N 2 1 331.508 2.420 20 30 EEEDMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001274958371 1205220358 /nfs/dbraw/zinc/22/03/58/1205220358.db2.gz BTMKZPVLWSSLHK-GOSISDBHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000948389867 1209108125 /nfs/dbraw/zinc/10/81/25/1209108125.db2.gz ZNBQUPVCVYZUOY-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000948389867 1209108129 /nfs/dbraw/zinc/10/81/29/1209108129.db2.gz ZNBQUPVCVYZUOY-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000948389867 1209108132 /nfs/dbraw/zinc/10/81/32/1209108132.db2.gz ZNBQUPVCVYZUOY-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000948389867 1209108133 /nfs/dbraw/zinc/10/81/33/1209108133.db2.gz ZNBQUPVCVYZUOY-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000948916168 1209451178 /nfs/dbraw/zinc/45/11/78/1209451178.db2.gz PAGZYRKDHFOAJX-WOJBJXKFSA-N 2 1 339.483 2.230 20 30 EEEDMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000948916168 1209451180 /nfs/dbraw/zinc/45/11/80/1209451180.db2.gz PAGZYRKDHFOAJX-WOJBJXKFSA-N 2 1 339.483 2.230 20 30 EEEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC000949365992 1209653028 /nfs/dbraw/zinc/65/30/28/1209653028.db2.gz OTVLGNVDFBRUDM-UHFFFAOYSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC000949365992 1209653031 /nfs/dbraw/zinc/65/30/31/1209653031.db2.gz OTVLGNVDFBRUDM-UHFFFAOYSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)C[C@H](C)n3ccnc3)CC2)C1 ZINC000949482755 1209708474 /nfs/dbraw/zinc/70/84/74/1209708474.db2.gz CYIMMDSUMLTOHP-KRWDZBQOSA-N 2 1 346.475 2.104 20 30 EEEDMP C[C@H]1CCCN(C(=[NH2+])NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000303776518 1213905220 /nfs/dbraw/zinc/90/52/20/1213905220.db2.gz HVCRKRUCRAALBK-INIZCTEOSA-N 2 1 330.476 2.065 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOCCc1ccccc1 ZINC000303878810 1213917707 /nfs/dbraw/zinc/91/77/07/1213917707.db2.gz JIWRBGVDZSGLGF-GOSISDBHSA-N 2 1 332.492 2.024 20 30 EEEDMP C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000303875977 1213917859 /nfs/dbraw/zinc/91/78/59/1213917859.db2.gz HWERNAVWQKZAPO-SJORKVTESA-N 2 1 344.503 2.454 20 30 EEEDMP C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000303875977 1213917863 /nfs/dbraw/zinc/91/78/63/1213917863.db2.gz HWERNAVWQKZAPO-SJORKVTESA-N 2 1 344.503 2.454 20 30 EEEDMP C[C@H](CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)[N@@H+](C)C1CC1 ZINC000303981519 1213935648 /nfs/dbraw/zinc/93/56/48/1213935648.db2.gz PCSXDZJFCQFOSK-CQSZACIVSA-N 2 1 349.910 2.259 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Br)cc1 ZINC000304677807 1216084083 /nfs/dbraw/zinc/08/40/83/1216084083.db2.gz DIOKVVLETRTNOJ-CQSZACIVSA-N 2 1 339.281 2.338 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000960220842 1216433104 /nfs/dbraw/zinc/43/31/04/1216433104.db2.gz ZTZRXOOPWGLJIH-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CC[N@H+](CCC)C3)C2)CC1 ZINC000961290942 1217130876 /nfs/dbraw/zinc/13/08/76/1217130876.db2.gz FDGUJIDZKFUGCI-VQTJNVASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CC[N@H+](CCC)C3)C2)CC1 ZINC000961290939 1217130949 /nfs/dbraw/zinc/13/09/49/1217130949.db2.gz FDGUJIDZKFUGCI-UXHICEINSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961414285 1217180743 /nfs/dbraw/zinc/18/07/43/1217180743.db2.gz AXVDZNGMRAFLCW-HXUWFJFHSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961441087 1217190934 /nfs/dbraw/zinc/19/09/34/1217190934.db2.gz NXLMYGDHPFIXKL-IBGZPJMESA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961441087 1217190935 /nfs/dbraw/zinc/19/09/35/1217190935.db2.gz NXLMYGDHPFIXKL-IBGZPJMESA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963346151 1217540229 /nfs/dbraw/zinc/54/02/29/1217540229.db2.gz KFZNHWJRPQJADM-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419416 1221290077 /nfs/dbraw/zinc/29/00/77/1221290077.db2.gz ULWUJRFGNCBEIW-QFBILLFUSA-N 2 1 327.472 2.212 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001420 1221729958 /nfs/dbraw/zinc/72/99/58/1221729958.db2.gz AMSLAQYXAWARKA-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001420 1221729960 /nfs/dbraw/zinc/72/99/60/1221729960.db2.gz AMSLAQYXAWARKA-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001016690383 1226783359 /nfs/dbraw/zinc/78/33/59/1226783359.db2.gz KCAXDAFEINMELY-LSDHHAIUSA-N 2 1 325.884 2.194 20 30 EEEDMP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001018966687 1228585059 /nfs/dbraw/zinc/58/50/59/1228585059.db2.gz PVSZKFHYOWNITP-ROUUACIJSA-N 2 1 349.438 2.023 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001020145012 1229509430 /nfs/dbraw/zinc/50/94/30/1229509430.db2.gz FGONMBREJIEFSE-CKEIUWERSA-N 2 1 346.500 2.229 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCCC2CCCC2)CC1 ZINC001039042319 1230258874 /nfs/dbraw/zinc/25/88/74/1230258874.db2.gz PXEAJWQZWNVSCJ-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133956 1230344834 /nfs/dbraw/zinc/34/48/34/1230344834.db2.gz MUPSAGYQNUJPBT-RBUKOAKNSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC001039137530 1230350597 /nfs/dbraw/zinc/35/05/97/1230350597.db2.gz NQQJFXPGUSXDOR-SFHVURJKSA-N 2 1 336.439 2.142 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039141319 1230357335 /nfs/dbraw/zinc/35/73/35/1230357335.db2.gz VFZDPFLSAYNALC-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141319 1230357337 /nfs/dbraw/zinc/35/73/37/1230357337.db2.gz VFZDPFLSAYNALC-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141319 1230357342 /nfs/dbraw/zinc/35/73/42/1230357342.db2.gz VFZDPFLSAYNALC-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228537 1230461022 /nfs/dbraw/zinc/46/10/22/1230461022.db2.gz IZWGAXRWRRBNRS-QFBILLFUSA-N 2 1 336.439 2.284 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444353 1230613309 /nfs/dbraw/zinc/61/33/09/1230613309.db2.gz BMTXPKSGBGGACO-SJORKVTESA-N 2 1 328.460 2.095 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444353 1230613311 /nfs/dbraw/zinc/61/33/11/1230613311.db2.gz BMTXPKSGBGGACO-SJORKVTESA-N 2 1 328.460 2.095 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040349178 1231181256 /nfs/dbraw/zinc/18/12/56/1231181256.db2.gz WMUDSZGWWBRRHU-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349178 1231181257 /nfs/dbraw/zinc/18/12/57/1231181257.db2.gz WMUDSZGWWBRRHU-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349178 1231181258 /nfs/dbraw/zinc/18/12/58/1231181258.db2.gz WMUDSZGWWBRRHU-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040430303 1231227799 /nfs/dbraw/zinc/22/77/99/1231227799.db2.gz AJCPDVVWCUQPKO-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001040721922 1231348436 /nfs/dbraw/zinc/34/84/36/1231348436.db2.gz FMKDCPACFLWMAR-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001040883236 1231395368 /nfs/dbraw/zinc/39/53/68/1231395368.db2.gz LAJMJCWONIWAAT-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300270 1231498822 /nfs/dbraw/zinc/49/88/22/1231498822.db2.gz GQMWSZFCSRLQPL-XLIONFOSSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300270 1231498823 /nfs/dbraw/zinc/49/88/23/1231498823.db2.gz GQMWSZFCSRLQPL-XLIONFOSSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042205638 1231955867 /nfs/dbraw/zinc/95/58/67/1231955867.db2.gz YPWGMRBFPLFQMS-RDJZCZTQSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042205638 1231955870 /nfs/dbraw/zinc/95/58/70/1231955870.db2.gz YPWGMRBFPLFQMS-RDJZCZTQSA-N 2 1 331.460 2.454 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042256438 1231986616 /nfs/dbraw/zinc/98/66/16/1231986616.db2.gz XDXXIZKIGMMMQB-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042256438 1231986617 /nfs/dbraw/zinc/98/66/17/1231986617.db2.gz XDXXIZKIGMMMQB-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC001044745704 1233230874 /nfs/dbraw/zinc/23/08/74/1233230874.db2.gz YYQOKHBAJZQGAX-GJZGRUSLSA-N 2 1 332.448 2.039 20 30 EEEDMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001045273569 1233629445 /nfs/dbraw/zinc/62/94/45/1233629445.db2.gz OONCTEGHFDOBPY-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001045943813 1234203169 /nfs/dbraw/zinc/20/31/69/1234203169.db2.gz PJHOSGLUWMQFIH-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943813 1234203174 /nfs/dbraw/zinc/20/31/74/1234203174.db2.gz PJHOSGLUWMQFIH-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943813 1234203178 /nfs/dbraw/zinc/20/31/78/1234203178.db2.gz PJHOSGLUWMQFIH-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045949164 1234213660 /nfs/dbraw/zinc/21/36/60/1234213660.db2.gz ZBHOQJSOJBUZTE-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949164 1234213663 /nfs/dbraw/zinc/21/36/63/1234213663.db2.gz ZBHOQJSOJBUZTE-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949164 1234213667 /nfs/dbraw/zinc/21/36/67/1234213667.db2.gz ZBHOQJSOJBUZTE-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046626120 1235008795 /nfs/dbraw/zinc/00/87/95/1235008795.db2.gz PSQRXICYCWDTBV-SFHVURJKSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046626120 1235008800 /nfs/dbraw/zinc/00/88/00/1235008800.db2.gz PSQRXICYCWDTBV-SFHVURJKSA-N 2 1 332.448 2.041 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC(=C)C)C3)CC1 ZINC001047208242 1235672333 /nfs/dbraw/zinc/67/23/33/1235672333.db2.gz BOAPSDGMHHOKTL-SXLOBPIMSA-N 2 1 343.515 2.267 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001048557413 1237958873 /nfs/dbraw/zinc/95/88/73/1237958873.db2.gz NMAUNXUJORWPML-HAGHYFMRSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048557413 1237958876 /nfs/dbraw/zinc/95/88/76/1237958876.db2.gz NMAUNXUJORWPML-HAGHYFMRSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048557413 1237958884 /nfs/dbraw/zinc/95/88/84/1237958884.db2.gz NMAUNXUJORWPML-HAGHYFMRSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC)CC1 ZINC001048589859 1238040773 /nfs/dbraw/zinc/04/07/73/1238040773.db2.gz BRHMFWAOADJUSE-FNLKRUPLSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001049160314 1240153525 /nfs/dbraw/zinc/15/35/25/1240153525.db2.gz AWKJZDRTVVKLOB-BGYRXZFFSA-N 2 1 345.531 2.465 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165117 1240163138 /nfs/dbraw/zinc/16/31/38/1240163138.db2.gz HOHWWBZWKYFQGF-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165117 1240163139 /nfs/dbraw/zinc/16/31/39/1240163139.db2.gz HOHWWBZWKYFQGF-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165117 1240163141 /nfs/dbraw/zinc/16/31/41/1240163141.db2.gz HOHWWBZWKYFQGF-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049598274 1241593118 /nfs/dbraw/zinc/59/31/18/1241593118.db2.gz MFTFXQLRVHTQMP-OALUTQOASA-N 2 1 342.487 2.403 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049598274 1241593131 /nfs/dbraw/zinc/59/31/31/1241593131.db2.gz MFTFXQLRVHTQMP-OALUTQOASA-N 2 1 342.487 2.403 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837263 1242367855 /nfs/dbraw/zinc/36/78/55/1242367855.db2.gz ANXWYKWKHBCUSW-RTBURBONSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049842508 1242385836 /nfs/dbraw/zinc/38/58/36/1242385836.db2.gz LSXQQYMDPXYLDM-PMACEKPBSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846491 1242402395 /nfs/dbraw/zinc/40/23/95/1242402395.db2.gz IVKVSNIEHISRBG-ROUUACIJSA-N 2 1 328.460 2.403 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846491 1242402403 /nfs/dbraw/zinc/40/24/03/1242402403.db2.gz IVKVSNIEHISRBG-ROUUACIJSA-N 2 1 328.460 2.403 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCCC)CC1 ZINC001049909736 1242655322 /nfs/dbraw/zinc/65/53/22/1242655322.db2.gz CBUVCYCDGOXLJQ-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050066362 1242764702 /nfs/dbraw/zinc/76/47/02/1242764702.db2.gz ICXAZMONUUMJFG-IPMKNSEASA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050066362 1242764712 /nfs/dbraw/zinc/76/47/12/1242764712.db2.gz ICXAZMONUUMJFG-IPMKNSEASA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050066362 1242764719 /nfs/dbraw/zinc/76/47/19/1242764719.db2.gz ICXAZMONUUMJFG-IPMKNSEASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218644 1243842973 /nfs/dbraw/zinc/84/29/73/1243842973.db2.gz JMSGNEAXXZDDHM-AKHDSKFASA-N 2 1 329.488 2.138 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097218644 1243842984 /nfs/dbraw/zinc/84/29/84/1243842984.db2.gz JMSGNEAXXZDDHM-AKHDSKFASA-N 2 1 329.488 2.138 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097218644 1243842989 /nfs/dbraw/zinc/84/29/89/1243842989.db2.gz JMSGNEAXXZDDHM-AKHDSKFASA-N 2 1 329.488 2.138 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001052717012 1244826888 /nfs/dbraw/zinc/82/68/88/1244826888.db2.gz REAIJPHACRCBSM-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001052717012 1244826898 /nfs/dbraw/zinc/82/68/98/1244826898.db2.gz REAIJPHACRCBSM-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029537 1245712074 /nfs/dbraw/zinc/71/20/74/1245712074.db2.gz SRCXQDANJBIREA-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029537 1245712078 /nfs/dbraw/zinc/71/20/78/1245712078.db2.gz SRCXQDANJBIREA-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029537 1245712083 /nfs/dbraw/zinc/71/20/83/1245712083.db2.gz SRCXQDANJBIREA-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028929 1245712226 /nfs/dbraw/zinc/71/22/26/1245712226.db2.gz NZBQARJDOURGSJ-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053028929 1245712232 /nfs/dbraw/zinc/71/22/32/1245712232.db2.gz NZBQARJDOURGSJ-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053028929 1245712236 /nfs/dbraw/zinc/71/22/36/1245712236.db2.gz NZBQARJDOURGSJ-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108542 1245927735 /nfs/dbraw/zinc/92/77/35/1245927735.db2.gz WDWRNCKRFJKQPZ-MOPGFXCFSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052395556 1247182183 /nfs/dbraw/zinc/18/21/83/1247182183.db2.gz ULZNETWPYMGZSF-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395556 1247182184 /nfs/dbraw/zinc/18/21/84/1247182184.db2.gz ULZNETWPYMGZSF-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395556 1247182189 /nfs/dbraw/zinc/18/21/89/1247182189.db2.gz ULZNETWPYMGZSF-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054051166 1247241019 /nfs/dbraw/zinc/24/10/19/1247241019.db2.gz WJGNIRSAOUWXNP-LJQANCHMSA-N 2 1 327.472 2.057 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054051166 1247241031 /nfs/dbraw/zinc/24/10/31/1247241031.db2.gz WJGNIRSAOUWXNP-LJQANCHMSA-N 2 1 327.472 2.057 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071676557 1254495927 /nfs/dbraw/zinc/49/59/27/1254495927.db2.gz MVACXSUICREYSK-LSDHHAIUSA-N 2 1 325.416 2.036 20 30 EEEDMP C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074812086 1257149259 /nfs/dbraw/zinc/14/92/59/1257149259.db2.gz WQKBRUSVLQZCPJ-SNRMKQJTSA-N 2 1 340.471 2.122 20 30 EEEDMP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900326 1281110933 /nfs/dbraw/zinc/11/09/33/1281110933.db2.gz OLDKZLVPUOPESZ-KZNAEPCWSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900326 1281110938 /nfs/dbraw/zinc/11/09/38/1281110938.db2.gz OLDKZLVPUOPESZ-KZNAEPCWSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190900326 1281110941 /nfs/dbraw/zinc/11/09/41/1281110941.db2.gz OLDKZLVPUOPESZ-KZNAEPCWSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190900326 1281110946 /nfs/dbraw/zinc/11/09/46/1281110946.db2.gz OLDKZLVPUOPESZ-KZNAEPCWSA-N 2 1 339.524 2.209 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001192037117 1281774819 /nfs/dbraw/zinc/77/48/19/1281774819.db2.gz DYLBANPXLMXKJP-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193290005 1282425464 /nfs/dbraw/zinc/42/54/64/1282425464.db2.gz CCGLGDMXOGMOOI-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193290005 1282425470 /nfs/dbraw/zinc/42/54/70/1282425470.db2.gz CCGLGDMXOGMOOI-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193290005 1282425473 /nfs/dbraw/zinc/42/54/73/1282425473.db2.gz CCGLGDMXOGMOOI-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193290005 1282425483 /nfs/dbraw/zinc/42/54/83/1282425483.db2.gz CCGLGDMXOGMOOI-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)C1 ZINC001194285132 1282979516 /nfs/dbraw/zinc/97/95/16/1282979516.db2.gz PYHVJFSEXRWZHR-LJQANCHMSA-N 2 1 345.462 2.050 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001194285132 1282979519 /nfs/dbraw/zinc/97/95/19/1282979519.db2.gz PYHVJFSEXRWZHR-LJQANCHMSA-N 2 1 345.462 2.050 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001194285132 1282979520 /nfs/dbraw/zinc/97/95/20/1282979520.db2.gz PYHVJFSEXRWZHR-LJQANCHMSA-N 2 1 345.462 2.050 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC001202154483 1289933331 /nfs/dbraw/zinc/93/33/31/1289933331.db2.gz NLFFGZCDZUDRRD-RBUKOAKNSA-N 2 1 345.487 2.073 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCCC)C[C@H]2C)CC1 ZINC001211307351 1295811769 /nfs/dbraw/zinc/81/17/69/1295811769.db2.gz UPEHHWPYUUITAZ-IEBWSBKVSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110821552 1295877536 /nfs/dbraw/zinc/87/75/36/1295877536.db2.gz AMNUXBPPISRLHZ-SUMDDJOVSA-N 2 1 342.487 2.450 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110821552 1295877547 /nfs/dbraw/zinc/87/75/47/1295877547.db2.gz AMNUXBPPISRLHZ-SUMDDJOVSA-N 2 1 342.487 2.450 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215389211 1296884852 /nfs/dbraw/zinc/88/48/52/1296884852.db2.gz ZFLJMGJBWZCTJB-BHIYHBOVSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099280318 1298997882 /nfs/dbraw/zinc/99/78/82/1298997882.db2.gz FMSDXPIKSLYFGK-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCOCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001099321207 1299038972 /nfs/dbraw/zinc/03/89/72/1299038972.db2.gz QMCLXZYSJCKJHQ-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001099321207 1299038984 /nfs/dbraw/zinc/03/89/84/1299038984.db2.gz QMCLXZYSJCKJHQ-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001099321207 1299038991 /nfs/dbraw/zinc/03/89/91/1299038991.db2.gz QMCLXZYSJCKJHQ-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)C1 ZINC001221913070 1299186339 /nfs/dbraw/zinc/18/63/39/1299186339.db2.gz CTGDHQBTRHWYPS-ROUUACIJSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)C1 ZINC001221913070 1299186346 /nfs/dbraw/zinc/18/63/46/1299186346.db2.gz CTGDHQBTRHWYPS-ROUUACIJSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@H](CC)C2)C1 ZINC001221913070 1299186356 /nfs/dbraw/zinc/18/63/56/1299186356.db2.gz CTGDHQBTRHWYPS-ROUUACIJSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@H](CC)C2)C1 ZINC001221913070 1299186370 /nfs/dbraw/zinc/18/63/70/1299186370.db2.gz CTGDHQBTRHWYPS-ROUUACIJSA-N 2 1 348.535 2.284 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548499 1299209422 /nfs/dbraw/zinc/20/94/22/1299209422.db2.gz WLAZITCKHFITIC-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC/C=C\CC)C[C@H]1C ZINC001102056275 1300213111 /nfs/dbraw/zinc/21/31/11/1300213111.db2.gz ZILZICWEBPYCAH-RTUSNTFBSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001102056275 1300213117 /nfs/dbraw/zinc/21/31/17/1300213117.db2.gz ZILZICWEBPYCAH-RTUSNTFBSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC/C=C\CC)C[C@H]1C ZINC001102056275 1300213125 /nfs/dbraw/zinc/21/31/25/1300213125.db2.gz ZILZICWEBPYCAH-RTUSNTFBSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC/C=C\CC)C[C@H]1C ZINC001102056275 1300213132 /nfs/dbraw/zinc/21/31/32/1300213132.db2.gz ZILZICWEBPYCAH-RTUSNTFBSA-N 2 1 331.504 2.124 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102113006 1300333492 /nfs/dbraw/zinc/33/34/92/1300333492.db2.gz QBTQTNRTLGRWQV-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102113006 1300333505 /nfs/dbraw/zinc/33/35/05/1300333505.db2.gz QBTQTNRTLGRWQV-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102113006 1300333520 /nfs/dbraw/zinc/33/35/20/1300333520.db2.gz QBTQTNRTLGRWQV-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001223961929 1300354720 /nfs/dbraw/zinc/35/47/20/1300354720.db2.gz BFZAFOVGMTUJBK-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001223961929 1300354730 /nfs/dbraw/zinc/35/47/30/1300354730.db2.gz BFZAFOVGMTUJBK-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223961929 1300354746 /nfs/dbraw/zinc/35/47/46/1300354746.db2.gz BFZAFOVGMTUJBK-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223961929 1300354760 /nfs/dbraw/zinc/35/47/60/1300354760.db2.gz BFZAFOVGMTUJBK-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507465 1301161449 /nfs/dbraw/zinc/16/14/49/1301161449.db2.gz AYYVJOVZRHFZPP-OPYAIIAOSA-N 2 1 341.499 2.171 20 30 EEEDMP CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001229678665 1302913350 /nfs/dbraw/zinc/91/33/50/1302913350.db2.gz LFNNHLIUXFTJOX-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001103439851 1302963491 /nfs/dbraw/zinc/96/34/91/1302963491.db2.gz YAVHYTSRQHDHIY-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001103439851 1302963498 /nfs/dbraw/zinc/96/34/98/1302963498.db2.gz YAVHYTSRQHDHIY-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001103439851 1302963501 /nfs/dbraw/zinc/96/35/01/1302963501.db2.gz YAVHYTSRQHDHIY-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001230374110 1303182883 /nfs/dbraw/zinc/18/28/83/1303182883.db2.gz JIYDLZVZIMTESC-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001230374110 1303182885 /nfs/dbraw/zinc/18/28/85/1303182885.db2.gz JIYDLZVZIMTESC-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP COC(C)(C)C[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277584669 1303941942 /nfs/dbraw/zinc/94/19/42/1303941942.db2.gz NDDVOOAIURZORM-HDICACEKSA-N 2 1 344.503 2.466 20 30 EEEDMP COC(C)(C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277584669 1303941946 /nfs/dbraw/zinc/94/19/46/1303941946.db2.gz NDDVOOAIURZORM-HDICACEKSA-N 2 1 344.503 2.466 20 30 EEEDMP COC(C)(C)C[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277584669 1303941947 /nfs/dbraw/zinc/94/19/47/1303941947.db2.gz NDDVOOAIURZORM-HDICACEKSA-N 2 1 344.503 2.466 20 30 EEEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000799346906 1305234474 /nfs/dbraw/zinc/23/44/74/1305234474.db2.gz TVPPOIUMRNDSTM-MRXNPFEDSA-N 2 1 330.476 2.093 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120448475 1309545271 /nfs/dbraw/zinc/54/52/71/1309545271.db2.gz AQXMCTQTFYWRRS-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448475 1309545273 /nfs/dbraw/zinc/54/52/73/1309545273.db2.gz AQXMCTQTFYWRRS-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448475 1309545281 /nfs/dbraw/zinc/54/52/81/1309545281.db2.gz AQXMCTQTFYWRRS-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246304295 1310276451 /nfs/dbraw/zinc/27/64/51/1310276451.db2.gz MEJLFEFIKYUISC-BBWFWOEESA-N 3 1 325.497 2.114 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246304507 1310276533 /nfs/dbraw/zinc/27/65/33/1310276533.db2.gz NHQRALOETMIGGC-INMHGKMJSA-N 3 1 325.497 2.112 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001162849927 1320973931 /nfs/dbraw/zinc/97/39/31/1320973931.db2.gz OFTQIASIGPQVIO-HXUWFJFHSA-N 2 1 341.499 2.155 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149863189 1316071914 /nfs/dbraw/zinc/07/19/14/1316071914.db2.gz YQLRFOIYEWAOCR-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149863189 1316071917 /nfs/dbraw/zinc/07/19/17/1316071917.db2.gz YQLRFOIYEWAOCR-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149863189 1316071924 /nfs/dbraw/zinc/07/19/24/1316071924.db2.gz YQLRFOIYEWAOCR-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451803 1316830379 /nfs/dbraw/zinc/83/03/79/1316830379.db2.gz JLHHEAIEFTZAQB-GPMSIDNRSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153451803 1316830381 /nfs/dbraw/zinc/83/03/81/1316830381.db2.gz JLHHEAIEFTZAQB-GPMSIDNRSA-N 2 1 342.487 2.225 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123375 1316964282 /nfs/dbraw/zinc/96/42/82/1316964282.db2.gz WVRAHKNAKKBYJG-MSOLQXFVSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154123375 1316964286 /nfs/dbraw/zinc/96/42/86/1316964286.db2.gz WVRAHKNAKKBYJG-MSOLQXFVSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154123375 1316964288 /nfs/dbraw/zinc/96/42/88/1316964288.db2.gz WVRAHKNAKKBYJG-MSOLQXFVSA-N 2 1 339.524 2.136 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001159329160 1319742553 /nfs/dbraw/zinc/74/25/53/1319742553.db2.gz ZXBQNGJNMIQLHP-SFHVURJKSA-N 2 1 346.450 2.168 20 30 EEEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001159846740 1320003721 /nfs/dbraw/zinc/00/37/21/1320003721.db2.gz SUHALOZRSSOCAF-LJQANCHMSA-N 2 1 342.487 2.132 20 30 EEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001161027930 1320359574 /nfs/dbraw/zinc/35/95/74/1320359574.db2.gz AZOXODWJPQTHSW-QGZVFWFLSA-N 2 1 328.460 2.078 20 30 EEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001161027930 1320359578 /nfs/dbraw/zinc/35/95/78/1320359578.db2.gz AZOXODWJPQTHSW-QGZVFWFLSA-N 2 1 328.460 2.078 20 30 EEEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001162929462 1320990705 /nfs/dbraw/zinc/99/07/05/1320990705.db2.gz YQAJOYCSGWZXHB-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001163820603 1321225816 /nfs/dbraw/zinc/22/58/16/1321225816.db2.gz GMWPREZQXYFDNF-SFHVURJKSA-N 2 1 340.471 2.029 20 30 EEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001166876252 1321807611 /nfs/dbraw/zinc/80/76/11/1321807611.db2.gz QNWKLABXFCDCPP-MRXNPFEDSA-N 2 1 330.476 2.206 20 30 EEEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203468262 1321887433 /nfs/dbraw/zinc/88/74/33/1321887433.db2.gz JPGGWAMZLPIDSJ-JKSUJKDBSA-N 2 1 328.460 2.047 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203491859 1321895413 /nfs/dbraw/zinc/89/54/13/1321895413.db2.gz HFKRHBZVIQRGFS-SJORKVTESA-N 2 1 328.460 2.012 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953623 1323739752 /nfs/dbraw/zinc/73/97/52/1323739752.db2.gz VWVFTZMHALZOGX-LJQANCHMSA-N 2 1 327.472 2.141 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540757 1324012685 /nfs/dbraw/zinc/01/26/85/1324012685.db2.gz CKRWHIBQYCIPBW-QRQLOZEOSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540756 1324013160 /nfs/dbraw/zinc/01/31/60/1324013160.db2.gz CKRWHIBQYCIPBW-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210243473 1325212963 /nfs/dbraw/zinc/21/29/63/1325212963.db2.gz LKKZUCMXWGUZTA-QRQLOZEOSA-N 2 1 327.472 2.139 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243473 1325212969 /nfs/dbraw/zinc/21/29/69/1325212969.db2.gz LKKZUCMXWGUZTA-QRQLOZEOSA-N 2 1 327.472 2.139 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243473 1325212976 /nfs/dbraw/zinc/21/29/76/1325212976.db2.gz LKKZUCMXWGUZTA-QRQLOZEOSA-N 2 1 327.472 2.139 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001210347708 1325248290 /nfs/dbraw/zinc/24/82/90/1325248290.db2.gz BZOJYLIBRDUQBM-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156321 1368884420 /nfs/dbraw/zinc/88/44/20/1368884420.db2.gz AIMYNKGPLQENKL-LJQANCHMSA-N 2 1 331.504 2.387 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938239 1371328685 /nfs/dbraw/zinc/32/86/85/1371328685.db2.gz SCGCIYAKOGNUSP-UWVAXJGDSA-N 2 1 331.504 2.408 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001368350207 1374378497 /nfs/dbraw/zinc/37/84/97/1374378497.db2.gz ZQTDCBKGXVWFJA-FZKCQIBNSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001381212653 1381561515 /nfs/dbraw/zinc/56/15/15/1381561515.db2.gz ARLBMTBIGAKFKG-ZDUSSCGKSA-N 2 1 348.329 2.357 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccc(C#N)cc1 ZINC001390901462 1388861189 /nfs/dbraw/zinc/86/11/89/1388861189.db2.gz TXQRJLOHLPMMSA-IBGZPJMESA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccc(C#N)cc1 ZINC001390901462 1388861195 /nfs/dbraw/zinc/86/11/95/1388861195.db2.gz TXQRJLOHLPMMSA-IBGZPJMESA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001392183928 1389873454 /nfs/dbraw/zinc/87/34/54/1389873454.db2.gz SMMQVJRXMCWHMH-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2C#N)C1 ZINC001393392042 1390424090 /nfs/dbraw/zinc/42/40/90/1390424090.db2.gz QEJQNSRBUUPSBI-QFBILLFUSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001394545334 1390727017 /nfs/dbraw/zinc/72/70/17/1390727017.db2.gz KAZVZHQDXFKMCB-ZDUSSCGKSA-N 2 1 333.823 2.070 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001401924678 1397669218 /nfs/dbraw/zinc/66/92/18/1397669218.db2.gz NDNZGFQRAONJCU-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001401924678 1397669223 /nfs/dbraw/zinc/66/92/23/1397669223.db2.gz NDNZGFQRAONJCU-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001401945160 1397682206 /nfs/dbraw/zinc/68/22/06/1397682206.db2.gz QTBGMLSPNDSUDM-SFHVURJKSA-N 2 1 340.471 2.169 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001402239320 1397887267 /nfs/dbraw/zinc/88/72/67/1397887267.db2.gz GKWXXYJXDSWIBO-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001755075911 1407087716 /nfs/dbraw/zinc/08/77/16/1407087716.db2.gz PDTXRXDWIOQKHX-MOPGFXCFSA-N 2 1 329.488 2.446 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001755075911 1407087723 /nfs/dbraw/zinc/08/77/23/1407087723.db2.gz PDTXRXDWIOQKHX-MOPGFXCFSA-N 2 1 329.488 2.446 20 30 EEEDMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)CCC[NH+]1CCCC1 ZINC001422915658 1400271241 /nfs/dbraw/zinc/27/12/41/1400271241.db2.gz ILIHRZWYEPFAAV-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)CCC[NH+]1CCCC1 ZINC001422915658 1400271242 /nfs/dbraw/zinc/27/12/42/1400271242.db2.gz ILIHRZWYEPFAAV-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001424320373 1401058820 /nfs/dbraw/zinc/05/88/20/1401058820.db2.gz LAFDYKZPWUKTFX-QGZVFWFLSA-N 2 1 342.487 2.180 20 30 EEEDMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001424320373 1401058828 /nfs/dbraw/zinc/05/88/28/1401058828.db2.gz LAFDYKZPWUKTFX-QGZVFWFLSA-N 2 1 342.487 2.180 20 30 EEEDMP C#CC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574517798 1403522216 /nfs/dbraw/zinc/52/22/16/1403522216.db2.gz QIJYPFVJIHCEKF-HFSMHLIXSA-N 2 1 339.483 2.159 20 30 EEEDMP Cc1ccccc1NC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000170911979 1405727760 /nfs/dbraw/zinc/72/77/60/1405727760.db2.gz QDDMSUWSUQFBAT-UHFFFAOYSA-N 2 1 338.459 2.069 20 30 EEEDMP Cc1ccccc1NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000180454337 1405819951 /nfs/dbraw/zinc/81/99/51/1405819951.db2.gz DKRWPVKCTYLTIU-SFHVURJKSA-N 2 1 338.455 2.488 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccsc1 ZINC001755501513 1407545703 /nfs/dbraw/zinc/54/57/03/1407545703.db2.gz LWJMRNQZWQIVSX-RDJZCZTQSA-N 2 1 333.501 2.220 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccsc1 ZINC001755501513 1407545712 /nfs/dbraw/zinc/54/57/12/1407545712.db2.gz LWJMRNQZWQIVSX-RDJZCZTQSA-N 2 1 333.501 2.220 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730149 1411043385 /nfs/dbraw/zinc/04/33/85/1411043385.db2.gz DDHNBQPZZDEOPD-UKRRQHHQSA-N 2 1 327.900 2.345 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC)[C@@H]2CC)CC1 ZINC001087840397 782348966 /nfs/dbraw/zinc/34/89/66/782348966.db2.gz WARNSAYDOPDXJF-NZSAHSFTSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942442810 782437854 /nfs/dbraw/zinc/43/78/54/782437854.db2.gz AKYNQNJNEDFXDX-NVXWUHKLSA-N 2 1 339.443 2.284 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001210789668 758129415 /nfs/dbraw/zinc/12/94/15/758129415.db2.gz QERCGUMOVJXVAL-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461553 760933135 /nfs/dbraw/zinc/93/31/35/760933135.db2.gz KZSKBSVIEZUDNJ-LJQANCHMSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089408674 768843448 /nfs/dbraw/zinc/84/34/48/768843448.db2.gz DTUAAZWOAKOUCH-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089408674 768843462 /nfs/dbraw/zinc/84/34/62/768843462.db2.gz DTUAAZWOAKOUCH-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089408674 768843474 /nfs/dbraw/zinc/84/34/74/768843474.db2.gz DTUAAZWOAKOUCH-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089408674 768843485 /nfs/dbraw/zinc/84/34/85/768843485.db2.gz DTUAAZWOAKOUCH-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105097457 769060563 /nfs/dbraw/zinc/06/05/63/769060563.db2.gz QWJJOJGIRYLPJB-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105097457 769060570 /nfs/dbraw/zinc/06/05/70/769060570.db2.gz QWJJOJGIRYLPJB-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC(C)(C)C1 ZINC001089492397 769837753 /nfs/dbraw/zinc/83/77/53/769837753.db2.gz JDWJUNOEDLZMTK-GVDBMIGSSA-N 2 1 342.487 2.154 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089638424 773644289 /nfs/dbraw/zinc/64/42/89/773644289.db2.gz BRZMOPDRNULBPN-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638424 773644292 /nfs/dbraw/zinc/64/42/92/773644292.db2.gz BRZMOPDRNULBPN-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638424 773644295 /nfs/dbraw/zinc/64/42/95/773644295.db2.gz BRZMOPDRNULBPN-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980220519 774111552 /nfs/dbraw/zinc/11/15/52/774111552.db2.gz ZUMVMTWUPMDDBL-YESZJQIVSA-N 2 1 340.471 2.001 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485434 774709345 /nfs/dbraw/zinc/70/93/45/774709345.db2.gz JVXDIRSFKASYGY-JKSUJKDBSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485434 774709349 /nfs/dbraw/zinc/70/93/49/774709349.db2.gz JVXDIRSFKASYGY-JKSUJKDBSA-N 2 1 327.900 2.392 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2CC)[C@H](OC)C1 ZINC001212301497 775483604 /nfs/dbraw/zinc/48/36/04/775483604.db2.gz WRPHXUBGRBXFDR-BRWVUGGUSA-N 2 1 348.491 2.178 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](OC)C1 ZINC001212301497 775483610 /nfs/dbraw/zinc/48/36/10/775483610.db2.gz WRPHXUBGRBXFDR-BRWVUGGUSA-N 2 1 348.491 2.178 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](OC)C1 ZINC001212301497 775483618 /nfs/dbraw/zinc/48/36/18/775483618.db2.gz WRPHXUBGRBXFDR-BRWVUGGUSA-N 2 1 348.491 2.178 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001171248511 790475023 /nfs/dbraw/zinc/47/50/23/790475023.db2.gz VZRNYFGRKXCFMA-MSOLQXFVSA-N 2 1 349.523 2.044 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164406 779185512 /nfs/dbraw/zinc/18/55/12/779185512.db2.gz MBYTXMVJTSVWJI-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164406 779185517 /nfs/dbraw/zinc/18/55/17/779185517.db2.gz MBYTXMVJTSVWJI-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982279711 779512650 /nfs/dbraw/zinc/51/26/50/779512650.db2.gz DVVOYBGVTAKLNZ-NRSPTQNISA-N 2 1 345.531 2.465 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@]2(C)C1 ZINC000982305547 779655029 /nfs/dbraw/zinc/65/50/29/779655029.db2.gz UZUBWCXMQAWYMA-BGYRXZFFSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCCC2CCC2)CC1 ZINC001028333797 780785712 /nfs/dbraw/zinc/78/57/12/780785712.db2.gz RHAMVNYQLYHAQW-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327834 783520978 /nfs/dbraw/zinc/52/09/78/783520978.db2.gz XZUQTQJXRIMWMF-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035256572 784205801 /nfs/dbraw/zinc/20/58/01/784205801.db2.gz ITOXNUSWPUPEGF-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135857552 784639360 /nfs/dbraw/zinc/63/93/60/784639360.db2.gz KDKUSODTAOXZON-GJZGRUSLSA-N 2 1 348.466 2.412 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882903 784699833 /nfs/dbraw/zinc/69/98/33/784699833.db2.gz VMWXJDJDVUDBKK-STQMWFEESA-N 2 1 334.302 2.110 20 30 EEEDMP C=CCCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001099570548 787955405 /nfs/dbraw/zinc/95/54/05/787955405.db2.gz RTJGRZNJLOXHFN-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099570548 787955412 /nfs/dbraw/zinc/95/54/12/787955412.db2.gz RTJGRZNJLOXHFN-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099570548 787955413 /nfs/dbraw/zinc/95/54/13/787955413.db2.gz RTJGRZNJLOXHFN-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000996994416 788387413 /nfs/dbraw/zinc/38/74/13/788387413.db2.gz HYESMRKHXBZBPU-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997131662 789045920 /nfs/dbraw/zinc/04/59/20/789045920.db2.gz FPNKAQRKYRFGHM-IEBWSBKVSA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089906877 789688955 /nfs/dbraw/zinc/68/89/55/789688955.db2.gz KGWBFOXSBNISJQ-OKYOBFRVSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089906877 789688962 /nfs/dbraw/zinc/68/89/62/789688962.db2.gz KGWBFOXSBNISJQ-OKYOBFRVSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001147829006 791986456 /nfs/dbraw/zinc/98/64/56/791986456.db2.gz ADTNHGKWDDVCIT-HNNXBMFYSA-N 2 1 346.475 2.239 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001147829006 791986461 /nfs/dbraw/zinc/98/64/61/791986461.db2.gz ADTNHGKWDDVCIT-HNNXBMFYSA-N 2 1 346.475 2.239 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998108865 791986538 /nfs/dbraw/zinc/98/65/38/791986538.db2.gz HDCDNWPWJPYBGR-ROUUACIJSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998108865 791986549 /nfs/dbraw/zinc/98/65/49/791986549.db2.gz HDCDNWPWJPYBGR-ROUUACIJSA-N 2 1 342.487 2.090 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@H]12 ZINC000992142688 792896529 /nfs/dbraw/zinc/89/65/29/792896529.db2.gz BWALHPKFHGOYQF-IMFGXOCKSA-N 2 1 342.487 2.443 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@H]12 ZINC000992142688 792896541 /nfs/dbraw/zinc/89/65/41/792896541.db2.gz BWALHPKFHGOYQF-IMFGXOCKSA-N 2 1 342.487 2.443 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000999366398 794367816 /nfs/dbraw/zinc/36/78/16/794367816.db2.gz XZYCGUSFWJVAFH-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992504036 794433333 /nfs/dbraw/zinc/43/33/33/794433333.db2.gz GAWCYIOWCOLCCO-CTNGQTDRSA-N 2 1 339.483 2.498 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCC(C)C)CC3)CC1 ZINC000992502225 794436233 /nfs/dbraw/zinc/43/62/33/794436233.db2.gz BBEULVHARCPPND-CTNGQTDRSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093380253 795118588 /nfs/dbraw/zinc/11/85/88/795118588.db2.gz VBYNPAFZIWTBHX-RBUKOAKNSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093384031 795127955 /nfs/dbraw/zinc/12/79/55/795127955.db2.gz SZEQBDDMSPYHCT-LJQANCHMSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001106684556 796093712 /nfs/dbraw/zinc/09/37/12/796093712.db2.gz DUUQSKCFTJMLQH-AFYVEPGGSA-N 2 1 341.499 2.202 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094497468 796290982 /nfs/dbraw/zinc/29/09/82/796290982.db2.gz ZMYAGUVRSXMDCZ-SFHLNBCPSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497468 796290987 /nfs/dbraw/zinc/29/09/87/796290987.db2.gz ZMYAGUVRSXMDCZ-SFHLNBCPSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497468 796290996 /nfs/dbraw/zinc/29/09/96/796290996.db2.gz ZMYAGUVRSXMDCZ-SFHLNBCPSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094562314 796400670 /nfs/dbraw/zinc/40/06/70/796400670.db2.gz SMHYWTNXBBGUNE-UYAOXDASSA-N 2 1 340.471 2.145 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001094581586 796421716 /nfs/dbraw/zinc/42/17/16/796421716.db2.gz BAEAYOAPJZUGNQ-QWFCFKBJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001094581586 796421718 /nfs/dbraw/zinc/42/17/18/796421718.db2.gz BAEAYOAPJZUGNQ-QWFCFKBJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094581586 796421720 /nfs/dbraw/zinc/42/17/20/796421720.db2.gz BAEAYOAPJZUGNQ-QWFCFKBJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094581586 796421722 /nfs/dbraw/zinc/42/17/22/796421722.db2.gz BAEAYOAPJZUGNQ-QWFCFKBJSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099270152 796572376 /nfs/dbraw/zinc/57/23/76/796572376.db2.gz ICJFZUDLSOODPS-QGZVFWFLSA-N 2 1 330.476 2.212 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099270152 796572381 /nfs/dbraw/zinc/57/23/81/796572381.db2.gz ICJFZUDLSOODPS-QGZVFWFLSA-N 2 1 330.476 2.212 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172100260 796871954 /nfs/dbraw/zinc/87/19/54/796871954.db2.gz CMDKNUNOXVRDPG-AKHDSKFASA-N 2 1 341.499 2.497 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172100260 796871958 /nfs/dbraw/zinc/87/19/58/796871958.db2.gz CMDKNUNOXVRDPG-AKHDSKFASA-N 2 1 341.499 2.497 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993820206 797049811 /nfs/dbraw/zinc/04/98/11/797049811.db2.gz JGXROQHTAGODEA-WBVHZDCISA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993820206 797049819 /nfs/dbraw/zinc/04/98/19/797049819.db2.gz JGXROQHTAGODEA-WBVHZDCISA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174890087 797904982 /nfs/dbraw/zinc/90/49/82/797904982.db2.gz PBMPOILPRTXWKF-ROUUACIJSA-N 2 1 339.524 2.326 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174890087 797904985 /nfs/dbraw/zinc/90/49/85/797904985.db2.gz PBMPOILPRTXWKF-ROUUACIJSA-N 2 1 339.524 2.326 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC=C(C)C)[C@@H]2C)CC1 ZINC000994471076 798050194 /nfs/dbraw/zinc/05/01/94/798050194.db2.gz AKNDASOJFVAUCR-IEBWSBKVSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001175387795 798092575 /nfs/dbraw/zinc/09/25/75/798092575.db2.gz CEFHBOZLGLPONN-RLLQIKCJSA-N 2 1 341.499 2.230 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089385854 798301082 /nfs/dbraw/zinc/30/10/82/798301082.db2.gz KHHFKOIRLRFBFF-KRWDZBQOSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663310 798354844 /nfs/dbraw/zinc/35/48/44/798354844.db2.gz WOGVCUXZDHRXFJ-MDZRGWNJSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663310 798354850 /nfs/dbraw/zinc/35/48/50/798354850.db2.gz WOGVCUXZDHRXFJ-MDZRGWNJSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663310 798354856 /nfs/dbraw/zinc/35/48/56/798354856.db2.gz WOGVCUXZDHRXFJ-MDZRGWNJSA-N 2 1 337.483 2.308 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404316 798410810 /nfs/dbraw/zinc/41/08/10/798410810.db2.gz VVQMMSYTKCPTBS-MSOLQXFVSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404316 798410818 /nfs/dbraw/zinc/41/08/18/798410818.db2.gz VVQMMSYTKCPTBS-MSOLQXFVSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404316 798410823 /nfs/dbraw/zinc/41/08/23/798410823.db2.gz VVQMMSYTKCPTBS-MSOLQXFVSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853460 798505725 /nfs/dbraw/zinc/50/57/25/798505725.db2.gz QPILPIQHMPADFK-GUDVDZBRSA-N 2 1 331.504 2.053 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001212465674 798643861 /nfs/dbraw/zinc/64/38/61/798643861.db2.gz REMWEPXRRKGTLB-FGTMMUONSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001212465674 798643863 /nfs/dbraw/zinc/64/38/63/798643863.db2.gz REMWEPXRRKGTLB-FGTMMUONSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001212465674 798643864 /nfs/dbraw/zinc/64/38/64/798643864.db2.gz REMWEPXRRKGTLB-FGTMMUONSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001212465674 798643866 /nfs/dbraw/zinc/64/38/66/798643866.db2.gz REMWEPXRRKGTLB-FGTMMUONSA-N 2 1 339.524 2.257 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001176986320 798675494 /nfs/dbraw/zinc/67/54/94/798675494.db2.gz KRNHATLDUXYETD-LJQANCHMSA-N 2 1 345.462 2.148 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001177349102 798901804 /nfs/dbraw/zinc/90/18/04/798901804.db2.gz YCPYMFBIAWYFEC-LJQANCHMSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001178693614 799589414 /nfs/dbraw/zinc/58/94/14/799589414.db2.gz XUGJVQDDXLCIRL-GOSISDBHSA-N 2 1 349.523 2.046 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001003622918 799902283 /nfs/dbraw/zinc/90/22/83/799902283.db2.gz CKUDPOBNOUCYBT-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179592932 799999041 /nfs/dbraw/zinc/99/90/41/799999041.db2.gz QJTYWPGKPYPPJU-UHFFFAOYSA-N 2 1 339.524 2.187 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181518725 800831572 /nfs/dbraw/zinc/83/15/72/800831572.db2.gz ZSIZYCYDFFHPPE-MBOZVWFJSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001181958581 800977542 /nfs/dbraw/zinc/97/75/42/800977542.db2.gz BMWVXMBDCGRFLR-OXQOHEQNSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788113 801278051 /nfs/dbraw/zinc/27/80/51/801278051.db2.gz DYDBUPLQJMQXJV-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788113 801278057 /nfs/dbraw/zinc/27/80/57/801278057.db2.gz DYDBUPLQJMQXJV-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001182614711 801278862 /nfs/dbraw/zinc/27/88/62/801278862.db2.gz NUZKASHUZVIOSV-OXFYSEKESA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001183836993 801765879 /nfs/dbraw/zinc/76/58/79/801765879.db2.gz ZHCZHEQGHAKFKE-OAHLLOKOSA-N 2 1 334.464 2.287 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994522 801878004 /nfs/dbraw/zinc/87/80/04/801878004.db2.gz NSNVTQFMUVNAQO-INIZCTEOSA-N 2 1 331.460 2.291 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994522 801878012 /nfs/dbraw/zinc/87/80/12/801878012.db2.gz NSNVTQFMUVNAQO-INIZCTEOSA-N 2 1 331.460 2.291 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004441196 802051866 /nfs/dbraw/zinc/05/18/66/802051866.db2.gz HGWHGMVOILLRIE-IPMKNSEASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004441196 802051874 /nfs/dbraw/zinc/05/18/74/802051874.db2.gz HGWHGMVOILLRIE-IPMKNSEASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004441196 802051882 /nfs/dbraw/zinc/05/18/82/802051882.db2.gz HGWHGMVOILLRIE-IPMKNSEASA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001184702504 802138206 /nfs/dbraw/zinc/13/82/06/802138206.db2.gz ZUGHYIZWWQNVQH-GJZGRUSLSA-N 2 1 334.464 2.000 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086122216 802221673 /nfs/dbraw/zinc/22/16/73/802221673.db2.gz ATVAANKBMMWXMQ-OTWHNJEPSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086175350 802394874 /nfs/dbraw/zinc/39/48/74/802394874.db2.gz SBLGSIAPNXDUFZ-HRCADAONSA-N 2 1 327.900 2.345 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001004589525 802434779 /nfs/dbraw/zinc/43/47/79/802434779.db2.gz FMIKQYJPZNRXJC-FQEVSTJZSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CCCCN1CCn2ncc(CNC(=O)CC[N@H+](C)CCC)c2C1 ZINC001128560554 803083905 /nfs/dbraw/zinc/08/39/05/803083905.db2.gz QBYHUCHNKTVREW-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP C=CCCC[NH+]1CCn2ncc(CNC(=O)CC[N@@H+](C)CCC)c2C1 ZINC001128560554 803083912 /nfs/dbraw/zinc/08/39/12/803083912.db2.gz QBYHUCHNKTVREW-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP C=CCCC[NH+]1CCn2ncc(CNC(=O)CC[N@H+](C)CCC)c2C1 ZINC001128560554 803083920 /nfs/dbraw/zinc/08/39/20/803083920.db2.gz QBYHUCHNKTVREW-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP C=CCCC[N@@H+]1CCn2ncc(CNC(=O)CC[NH+](C)CCC)c2C1 ZINC001128560554 803083928 /nfs/dbraw/zinc/08/39/28/803083928.db2.gz QBYHUCHNKTVREW-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP C=CCCC[N@H+]1CCn2ncc(CNC(=O)CC[NH+](C)CCC)c2C1 ZINC001128560554 803083938 /nfs/dbraw/zinc/08/39/38/803083938.db2.gz QBYHUCHNKTVREW-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[N@H+](C)CCC)C1 ZINC001130447165 811654766 /nfs/dbraw/zinc/65/47/66/811654766.db2.gz XKXGPSONZJRRNU-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CCC)C1 ZINC001130447165 811654771 /nfs/dbraw/zinc/65/47/71/811654771.db2.gz XKXGPSONZJRRNU-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CCC)C1 ZINC001130447165 811654779 /nfs/dbraw/zinc/65/47/79/811654779.db2.gz XKXGPSONZJRRNU-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001131562155 812971965 /nfs/dbraw/zinc/97/19/65/812971965.db2.gz MOEALBFHBOSUFE-HQRMLTQVSA-N 2 1 349.519 2.033 20 30 EEEDMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)C[NH+](C)C1CCC1 ZINC001445751165 1091584994 /nfs/dbraw/zinc/58/49/94/1091584994.db2.gz QOZWZNUAKXOWCS-CYBMUJFWSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)C[NH+](C)C1CCC1 ZINC001445751165 1091585001 /nfs/dbraw/zinc/58/50/01/1091585001.db2.gz QOZWZNUAKXOWCS-CYBMUJFWSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)C[N@H+](C)C1CCC1 ZINC001445751165 1091585019 /nfs/dbraw/zinc/58/50/19/1091585019.db2.gz QOZWZNUAKXOWCS-CYBMUJFWSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001445751165 1091585027 /nfs/dbraw/zinc/58/50/27/1091585027.db2.gz QOZWZNUAKXOWCS-CYBMUJFWSA-N 2 1 334.489 2.041 20 30 EEEDMP N#Cc1ccccc1C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001446297342 1092462487 /nfs/dbraw/zinc/46/24/87/1092462487.db2.gz LZSKKMSHKHBDKA-UHFFFAOYSA-N 2 1 340.471 2.173 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001440114825 1093176635 /nfs/dbraw/zinc/17/66/35/1093176635.db2.gz FMUZOXHSQBLVKK-QFBILLFUSA-N 2 1 342.487 2.227 20 30 EEEDMP C[N@H+](CCNC(=O)CCC[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC001442600595 1096971529 /nfs/dbraw/zinc/97/15/29/1096971529.db2.gz CYLZPOKSRNWSSK-UHFFFAOYSA-N 2 1 334.489 2.044 20 30 EEEDMP C[N@@H+](CCNC(=O)CCC[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC001442600595 1096971534 /nfs/dbraw/zinc/97/15/34/1096971534.db2.gz CYLZPOKSRNWSSK-UHFFFAOYSA-N 2 1 334.489 2.044 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001443333126 1097843456 /nfs/dbraw/zinc/84/34/56/1097843456.db2.gz RNGLECVPNVGVPN-IBGZPJMESA-N 2 1 342.487 2.180 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001443333126 1097843464 /nfs/dbraw/zinc/84/34/64/1097843464.db2.gz RNGLECVPNVGVPN-IBGZPJMESA-N 2 1 342.487 2.180 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001443333126 1097843472 /nfs/dbraw/zinc/84/34/72/1097843472.db2.gz RNGLECVPNVGVPN-IBGZPJMESA-N 2 1 342.487 2.180 20 30 EEEDMP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001444642393 1099471540 /nfs/dbraw/zinc/47/15/40/1099471540.db2.gz XKOYCDRFVIZMHU-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001445090913 1100311877 /nfs/dbraw/zinc/31/18/77/1100311877.db2.gz YFJUFAWHSZGGRF-QGZVFWFLSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001445090913 1100311886 /nfs/dbraw/zinc/31/18/86/1100311886.db2.gz YFJUFAWHSZGGRF-QGZVFWFLSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)s1 ZINC001445090913 1100311896 /nfs/dbraw/zinc/31/18/96/1100311896.db2.gz YFJUFAWHSZGGRF-QGZVFWFLSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001445090913 1100311906 /nfs/dbraw/zinc/31/19/06/1100311906.db2.gz YFJUFAWHSZGGRF-QGZVFWFLSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001446544199 1101007024 /nfs/dbraw/zinc/00/70/24/1101007024.db2.gz ATKMQDDCNJWNPU-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001446544199 1101007033 /nfs/dbraw/zinc/00/70/33/1101007033.db2.gz ATKMQDDCNJWNPU-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001446544199 1101007041 /nfs/dbraw/zinc/00/70/41/1101007041.db2.gz ATKMQDDCNJWNPU-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001446544199 1101007049 /nfs/dbraw/zinc/00/70/49/1101007049.db2.gz ATKMQDDCNJWNPU-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001501177706 1113230352 /nfs/dbraw/zinc/23/03/52/1113230352.db2.gz UQTIYNOHHYNANB-JYJNAYRXSA-N 2 1 327.900 2.345 20 30 EEEDMP CN(Cc1nccn1CC(F)(F)F)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329325234 539771562 /nfs/dbraw/zinc/77/15/62/539771562.db2.gz VZULDUYQWJVBOF-LLVKDONJSA-N 2 1 345.369 2.028 20 30 EEEDMP CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368660147 166100111 /nfs/dbraw/zinc/10/01/11/166100111.db2.gz BNVGKGJWRFBHMV-SFHVURJKSA-N 2 1 341.459 2.190 20 30 EEEDMP CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368660147 166100113 /nfs/dbraw/zinc/10/01/13/166100113.db2.gz BNVGKGJWRFBHMV-SFHVURJKSA-N 2 1 341.459 2.190 20 30 EEEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000134122780 463006150 /nfs/dbraw/zinc/00/61/50/463006150.db2.gz NXROKUIOQQJOLU-NVXWUHKLSA-N 2 1 330.476 2.392 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137448501 463292325 /nfs/dbraw/zinc/29/23/25/463292325.db2.gz FCJYMSWXSYFYPJ-XLIONFOSSA-N 2 1 339.483 2.111 20 30 EEEDMP COc1ccccc1CNC(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1 ZINC000170912936 463740424 /nfs/dbraw/zinc/74/04/24/463740424.db2.gz NHZZJFCDIYFFJB-UHFFFAOYSA-N 2 1 338.455 2.158 20 30 EEEDMP COc1ccccc1CNC(=[NH2+])NCC[N@H+]1CCc2ccccc2C1 ZINC000170912936 463740429 /nfs/dbraw/zinc/74/04/29/463740429.db2.gz NHZZJFCDIYFFJB-UHFFFAOYSA-N 2 1 338.455 2.158 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1sccc1Br ZINC000262001149 463923169 /nfs/dbraw/zinc/92/31/69/463923169.db2.gz PVGMERNINRRXIQ-SNVBAGLBSA-N 2 1 345.310 2.399 20 30 EEEDMP CCc1nc(C[NH+]2CCC(C[NH+]=C(N(C)C)N(C)C)CC2)cs1 ZINC000262545484 464033522 /nfs/dbraw/zinc/03/35/22/464033522.db2.gz UYSOSOIHOOTYKU-UHFFFAOYSA-N 2 1 337.537 2.397 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000543206969 468391780 /nfs/dbraw/zinc/39/17/80/468391780.db2.gz IEKGXCUMHLXEKE-FQEVSTJZSA-N 2 1 326.488 2.353 20 30 EEEDMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1C#N ZINC000281791969 464587608 /nfs/dbraw/zinc/58/76/08/464587608.db2.gz UPLCCGCJFWDXAR-MSOLQXFVSA-N 2 1 329.444 2.034 20 30 EEEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)NC1CCCCCC1 ZINC000272734623 464686249 /nfs/dbraw/zinc/68/62/49/464686249.db2.gz BCLIPLKYPMRGDS-IBGZPJMESA-N 2 1 344.503 2.380 20 30 EEEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(C#N)n(C)c3)c2)CCO1 ZINC000190869011 464736241 /nfs/dbraw/zinc/73/62/41/464736241.db2.gz YJVSHKBQAUKAGY-INIZCTEOSA-N 2 1 338.455 2.407 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(C#N)n(C)c3)c2)CCO1 ZINC000190869011 464736245 /nfs/dbraw/zinc/73/62/45/464736245.db2.gz YJVSHKBQAUKAGY-INIZCTEOSA-N 2 1 338.455 2.407 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000329865255 465456671 /nfs/dbraw/zinc/45/66/71/465456671.db2.gz ADHJZBZASZDNOG-IYBDPMFKSA-N 2 1 345.491 2.163 20 30 EEEDMP CC#CC[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000339758738 465493728 /nfs/dbraw/zinc/49/37/28/465493728.db2.gz YCUBQYNPHRJCQM-QGZVFWFLSA-N 2 1 327.472 2.111 20 30 EEEDMP CC#CC[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000339758738 465493733 /nfs/dbraw/zinc/49/37/33/465493733.db2.gz YCUBQYNPHRJCQM-QGZVFWFLSA-N 2 1 327.472 2.111 20 30 EEEDMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330025358 465510255 /nfs/dbraw/zinc/51/02/55/465510255.db2.gz KMBLAQYNAWYDFX-OAHLLOKOSA-N 2 1 344.463 2.402 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330025358 465510258 /nfs/dbraw/zinc/51/02/58/465510258.db2.gz KMBLAQYNAWYDFX-OAHLLOKOSA-N 2 1 344.463 2.402 20 30 EEEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000364369471 466697576 /nfs/dbraw/zinc/69/75/76/466697576.db2.gz CXOJRUPTAPYRGT-KRWDZBQOSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCOc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378368920 467281882 /nfs/dbraw/zinc/28/18/82/467281882.db2.gz HYWBWSXRBVGEDX-NLWGTHIKSA-N 2 1 328.456 2.382 20 30 EEEDMP C#CCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378368920 467281888 /nfs/dbraw/zinc/28/18/88/467281888.db2.gz HYWBWSXRBVGEDX-NLWGTHIKSA-N 2 1 328.456 2.382 20 30 EEEDMP C=CCN1CC[C@@H]([N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)C1=O ZINC000420302847 467345301 /nfs/dbraw/zinc/34/53/01/467345301.db2.gz CDAIUDSASLVMTQ-SJORKVTESA-N 2 1 345.512 2.479 20 30 EEEDMP C=CCN1CC[C@@H]([N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)C1=O ZINC000420302847 467345303 /nfs/dbraw/zinc/34/53/03/467345303.db2.gz CDAIUDSASLVMTQ-SJORKVTESA-N 2 1 345.512 2.479 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000519302687 468152081 /nfs/dbraw/zinc/15/20/81/468152081.db2.gz LNYQJIMSIVKPTR-UHFFFAOYSA-N 2 1 336.524 2.399 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2OC)CC1 ZINC000584286275 468836362 /nfs/dbraw/zinc/83/63/62/468836362.db2.gz ALVGSONDTPCDED-IBGZPJMESA-N 2 1 348.487 2.203 20 30 EEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H](C)C1 ZINC000598609606 468931776 /nfs/dbraw/zinc/93/17/76/468931776.db2.gz SXNGJUOHZNTSDK-BBWFWOEESA-N 2 1 325.497 2.014 20 30 EEEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000598725674 468974585 /nfs/dbraw/zinc/97/45/85/468974585.db2.gz YYGDGPHIIRRSQV-RBUKOAKNSA-N 2 1 345.487 2.168 20 30 EEEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000598725674 468974595 /nfs/dbraw/zinc/97/45/95/468974595.db2.gz YYGDGPHIIRRSQV-RBUKOAKNSA-N 2 1 345.487 2.168 20 30 EEEDMP N#Cc1ncn(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000602654512 468989802 /nfs/dbraw/zinc/98/98/02/468989802.db2.gz MTPLTISVMMMBDV-FUHWJXTLSA-N 2 1 336.443 2.107 20 30 EEEDMP N#Cc1ncn(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000602654512 468989808 /nfs/dbraw/zinc/98/98/08/468989808.db2.gz MTPLTISVMMMBDV-FUHWJXTLSA-N 2 1 336.443 2.107 20 30 EEEDMP N#CCCC1CC[NH+](CC(O)C[NH+]2CCC(CCC#N)CC2)CC1 ZINC000574197380 469269841 /nfs/dbraw/zinc/26/98/41/469269841.db2.gz UGPGXAJODQJYRD-UHFFFAOYSA-N 2 1 332.492 2.379 20 30 EEEDMP CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660299 469329369 /nfs/dbraw/zinc/32/93/69/469329369.db2.gz MIHCSEYYOZAXHN-UHFFFAOYSA-N 2 1 328.460 2.133 20 30 EEEDMP CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660299 469329373 /nfs/dbraw/zinc/32/93/73/469329373.db2.gz MIHCSEYYOZAXHN-UHFFFAOYSA-N 2 1 328.460 2.133 20 30 EEEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)N(C)CCC#N)C1 ZINC000131603793 534162645 /nfs/dbraw/zinc/16/26/45/534162645.db2.gz KUDDMUGAHDFRGJ-QZTJIDSGSA-N 2 1 334.508 2.335 20 30 EEEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000131603793 534162651 /nfs/dbraw/zinc/16/26/51/534162651.db2.gz KUDDMUGAHDFRGJ-QZTJIDSGSA-N 2 1 334.508 2.335 20 30 EEEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000131603793 534162655 /nfs/dbraw/zinc/16/26/55/534162655.db2.gz KUDDMUGAHDFRGJ-QZTJIDSGSA-N 2 1 334.508 2.335 20 30 EEEDMP C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764468421 577736829 /nfs/dbraw/zinc/73/68/29/577736829.db2.gz JBSHIWHPESFTAT-FXAWDEMLSA-N 2 1 342.487 2.047 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764468421 577736830 /nfs/dbraw/zinc/73/68/30/577736830.db2.gz JBSHIWHPESFTAT-FXAWDEMLSA-N 2 1 342.487 2.047 20 30 EEEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461202 675911107 /nfs/dbraw/zinc/91/11/07/675911107.db2.gz ZIBWWSJTVHBSAL-AHRSYUTCSA-N 2 1 341.499 2.344 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021667387 676321678 /nfs/dbraw/zinc/32/16/78/676321678.db2.gz DFSAEBPJXKLBDY-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC(=C)C)CC[C@H]32)CC1 ZINC001021739684 676398286 /nfs/dbraw/zinc/39/82/86/676398286.db2.gz LWIDPWZXKYTSMU-VQTJNVASSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022220458 676742407 /nfs/dbraw/zinc/74/24/07/676742407.db2.gz FAJOCFLQIJQKNQ-OTWHNJEPSA-N 2 1 329.488 2.211 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022220458 676742409 /nfs/dbraw/zinc/74/24/09/676742409.db2.gz FAJOCFLQIJQKNQ-OTWHNJEPSA-N 2 1 329.488 2.211 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000971703396 676747618 /nfs/dbraw/zinc/74/76/18/676747618.db2.gz GXOJOXQPDPSXRX-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000971703396 676747621 /nfs/dbraw/zinc/74/76/21/676747621.db2.gz GXOJOXQPDPSXRX-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000971703396 676747623 /nfs/dbraw/zinc/74/76/23/676747623.db2.gz GXOJOXQPDPSXRX-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC000971703396 676747625 /nfs/dbraw/zinc/74/76/25/676747625.db2.gz GXOJOXQPDPSXRX-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC000971703396 676747627 /nfs/dbraw/zinc/74/76/27/676747627.db2.gz GXOJOXQPDPSXRX-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971795129 676799965 /nfs/dbraw/zinc/79/99/65/676799965.db2.gz PHPQTGGTUWFVCA-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971795129 676799967 /nfs/dbraw/zinc/79/99/67/676799967.db2.gz PHPQTGGTUWFVCA-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971795129 676799968 /nfs/dbraw/zinc/79/99/68/676799968.db2.gz PHPQTGGTUWFVCA-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971800485 676811990 /nfs/dbraw/zinc/81/19/90/676811990.db2.gz KCECELYSCYWXEB-RHSMWYFYSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971800485 676811992 /nfs/dbraw/zinc/81/19/92/676811992.db2.gz KCECELYSCYWXEB-RHSMWYFYSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971800485 676811995 /nfs/dbraw/zinc/81/19/95/676811995.db2.gz KCECELYSCYWXEB-RHSMWYFYSA-N 2 1 346.500 2.137 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971801611 676814276 /nfs/dbraw/zinc/81/42/76/676814276.db2.gz SPTWNZBJGUUYND-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971801611 676814278 /nfs/dbraw/zinc/81/42/78/676814278.db2.gz SPTWNZBJGUUYND-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971801611 676814279 /nfs/dbraw/zinc/81/42/79/676814279.db2.gz SPTWNZBJGUUYND-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971801611 676814281 /nfs/dbraw/zinc/81/42/81/676814281.db2.gz SPTWNZBJGUUYND-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411817 679295986 /nfs/dbraw/zinc/29/59/86/679295986.db2.gz JQXMNGFIYXXLDG-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001023411817 679295987 /nfs/dbraw/zinc/29/59/87/679295987.db2.gz JQXMNGFIYXXLDG-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001023411817 679295988 /nfs/dbraw/zinc/29/59/88/679295988.db2.gz JQXMNGFIYXXLDG-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001023554002 679374679 /nfs/dbraw/zinc/37/46/79/679374679.db2.gz DUIOASJYSGUJCO-JYJNAYRXSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001023554002 679374683 /nfs/dbraw/zinc/37/46/83/679374683.db2.gz DUIOASJYSGUJCO-JYJNAYRXSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001023554002 679374686 /nfs/dbraw/zinc/37/46/86/679374686.db2.gz DUIOASJYSGUJCO-JYJNAYRXSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554002 679374687 /nfs/dbraw/zinc/37/46/87/679374687.db2.gz DUIOASJYSGUJCO-JYJNAYRXSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554002 679374690 /nfs/dbraw/zinc/37/46/90/679374690.db2.gz DUIOASJYSGUJCO-JYJNAYRXSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001024021945 679765135 /nfs/dbraw/zinc/76/51/35/679765135.db2.gz MRZMEWUJKNZKNP-UXHICEINSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001024021945 679765136 /nfs/dbraw/zinc/76/51/36/679765136.db2.gz MRZMEWUJKNZKNP-UXHICEINSA-N 2 1 339.483 2.112 20 30 EEEDMP CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479955 679962579 /nfs/dbraw/zinc/96/25/79/679962579.db2.gz VEMFNFZIBULIIH-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479955 679962582 /nfs/dbraw/zinc/96/25/82/679962582.db2.gz VEMFNFZIBULIIH-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479955 679962586 /nfs/dbraw/zinc/96/25/86/679962586.db2.gz VEMFNFZIBULIIH-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479955 679962589 /nfs/dbraw/zinc/96/25/89/679962589.db2.gz VEMFNFZIBULIIH-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479955 679962591 /nfs/dbraw/zinc/96/25/91/679962591.db2.gz VEMFNFZIBULIIH-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623669 681817371 /nfs/dbraw/zinc/81/73/71/681817371.db2.gz KVVQQZOCSFDXJB-SESVDKBCSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623669 681817377 /nfs/dbraw/zinc/81/73/77/681817377.db2.gz KVVQQZOCSFDXJB-SESVDKBCSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623669 681817385 /nfs/dbraw/zinc/81/73/85/681817385.db2.gz KVVQQZOCSFDXJB-SESVDKBCSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025245966 682314082 /nfs/dbraw/zinc/31/40/82/682314082.db2.gz AUJSIEIPTDVVBF-RTBURBONSA-N 2 1 343.515 2.484 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NC2CCC([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC001026605130 684782090 /nfs/dbraw/zinc/78/20/90/684782090.db2.gz DSUJZQYTTFMJJI-VIQWUECVSA-N 2 1 340.471 2.027 20 30 EEEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCSCC2)[C@H]1c1cccs1 ZINC000262519235 686801435 /nfs/dbraw/zinc/80/14/35/686801435.db2.gz HUAJXOFLSODDMK-HIFRSBDPSA-N 2 1 338.546 2.495 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CC3CCCC3)CC2)CC1 ZINC000985801554 687721671 /nfs/dbraw/zinc/72/16/71/687721671.db2.gz GRGIZFMJSJUMLX-UHFFFAOYSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001027441059 688157963 /nfs/dbraw/zinc/15/79/63/688157963.db2.gz RHXGBJCGFWMSSA-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001027441059 688157968 /nfs/dbraw/zinc/15/79/68/688157968.db2.gz RHXGBJCGFWMSSA-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001027441059 688157973 /nfs/dbraw/zinc/15/79/73/688157973.db2.gz RHXGBJCGFWMSSA-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989610127 692077026 /nfs/dbraw/zinc/07/70/26/692077026.db2.gz XWXYCNHHELSSBN-GOEBONIOSA-N 2 1 325.416 2.036 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001481455512 1181402416 /nfs/dbraw/zinc/40/24/16/1181402416.db2.gz AMNCNCYOCQHDQA-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001481455512 1181402422 /nfs/dbraw/zinc/40/24/22/1181402422.db2.gz AMNCNCYOCQHDQA-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001481455512 1181402424 /nfs/dbraw/zinc/40/24/24/1181402424.db2.gz AMNCNCYOCQHDQA-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CCCCCCC[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272479190 1190843805 /nfs/dbraw/zinc/84/38/05/1190843805.db2.gz ZHZZOKJDZZUTCZ-LJQANCHMSA-N 2 1 337.508 2.360 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332377 1196102302 /nfs/dbraw/zinc/10/23/02/1196102302.db2.gz YGWYNKJGEGWGDI-LJQANCHMSA-N 2 1 341.499 2.398 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001034364047 1196152932 /nfs/dbraw/zinc/15/29/32/1196152932.db2.gz HWRQZBAUIPDKLM-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364047 1196152935 /nfs/dbraw/zinc/15/29/35/1196152935.db2.gz HWRQZBAUIPDKLM-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364047 1196152937 /nfs/dbraw/zinc/15/29/37/1196152937.db2.gz HWRQZBAUIPDKLM-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001034962778 1196943905 /nfs/dbraw/zinc/94/39/05/1196943905.db2.gz QGOXXZWEBUPOIL-SXLOBPIMSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001034962778 1196943909 /nfs/dbraw/zinc/94/39/09/1196943909.db2.gz QGOXXZWEBUPOIL-SXLOBPIMSA-N 2 1 339.483 2.426 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001132274140 1199523539 /nfs/dbraw/zinc/52/35/39/1199523539.db2.gz PCEWCOOLZCMMDR-WMLDXEAASA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001132274140 1199523542 /nfs/dbraw/zinc/52/35/42/1199523542.db2.gz PCEWCOOLZCMMDR-WMLDXEAASA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000876723911 1199741148 /nfs/dbraw/zinc/74/11/48/1199741148.db2.gz ZTJMDLQOWGWOTH-SJORKVTESA-N 2 1 335.879 2.409 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133359202 1200789995 /nfs/dbraw/zinc/78/99/95/1200789995.db2.gz GKZFGMWPAZGJIF-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133359202 1200790003 /nfs/dbraw/zinc/79/00/03/1200790003.db2.gz GKZFGMWPAZGJIF-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947857669 1208748994 /nfs/dbraw/zinc/74/89/94/1208748994.db2.gz PSIVPNHVRDYBDG-RDJZCZTQSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947857669 1208748996 /nfs/dbraw/zinc/74/89/96/1208748996.db2.gz PSIVPNHVRDYBDG-RDJZCZTQSA-N 2 1 339.443 2.426 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000948038956 1208834209 /nfs/dbraw/zinc/83/42/09/1208834209.db2.gz CRAMYVLGSUMCNQ-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948741424 1209339498 /nfs/dbraw/zinc/33/94/98/1209339498.db2.gz BAQYCBKURFHFPZ-MRXNPFEDSA-N 2 1 327.900 2.394 20 30 EEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000303778914 1213904714 /nfs/dbraw/zinc/90/47/14/1213904714.db2.gz KCBSIQYKOGLOMA-MOPGFXCFSA-N 3 1 345.535 2.458 20 30 EEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000303778914 1213904721 /nfs/dbraw/zinc/90/47/21/1213904721.db2.gz KCBSIQYKOGLOMA-MOPGFXCFSA-N 3 1 345.535 2.458 20 30 EEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001412949510 1216145741 /nfs/dbraw/zinc/14/57/41/1216145741.db2.gz VGFVFQJCWYJLMI-OALUTQOASA-N 2 1 331.460 2.024 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000960715941 1216827122 /nfs/dbraw/zinc/82/71/22/1216827122.db2.gz FTMHTEQNJKKUNS-RTBURBONSA-N 2 1 342.487 2.321 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961189418 1217077992 /nfs/dbraw/zinc/07/79/92/1217077992.db2.gz ZDKRYVYRNLDRKQ-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961189418 1217077995 /nfs/dbraw/zinc/07/79/95/1217077995.db2.gz ZDKRYVYRNLDRKQ-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961189418 1217077998 /nfs/dbraw/zinc/07/79/98/1217077998.db2.gz ZDKRYVYRNLDRKQ-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410273 1217179158 /nfs/dbraw/zinc/17/91/58/1217179158.db2.gz GFGICTPXYGCLDC-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410273 1217179160 /nfs/dbraw/zinc/17/91/60/1217179160.db2.gz GFGICTPXYGCLDC-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410273 1217179164 /nfs/dbraw/zinc/17/91/64/1217179164.db2.gz GFGICTPXYGCLDC-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315510 1217508292 /nfs/dbraw/zinc/50/82/92/1217508292.db2.gz UTEXWVYXXLCXHZ-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963326917 1217522197 /nfs/dbraw/zinc/52/21/97/1217522197.db2.gz ZSAUSUGOGLDWOP-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372588 1217570214 /nfs/dbraw/zinc/57/02/14/1217570214.db2.gz VSNVVMOPOLYPBH-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372588 1217570215 /nfs/dbraw/zinc/57/02/15/1217570215.db2.gz VSNVVMOPOLYPBH-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000968887283 1221646070 /nfs/dbraw/zinc/64/60/70/1221646070.db2.gz AEAFFBYVQLVOGH-RTBURBONSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968887283 1221646071 /nfs/dbraw/zinc/64/60/71/1221646071.db2.gz AEAFFBYVQLVOGH-RTBURBONSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968887283 1221646074 /nfs/dbraw/zinc/64/60/74/1221646074.db2.gz AEAFFBYVQLVOGH-RTBURBONSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001016655776 1226737079 /nfs/dbraw/zinc/73/70/79/1226737079.db2.gz SVBSZJKQTRITET-JKSUJKDBSA-N 2 1 328.460 2.307 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001020146125 1229509995 /nfs/dbraw/zinc/50/99/95/1229509995.db2.gz WEFFKPWKXFHYDS-FHWLQOOXSA-N 2 1 340.471 2.168 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001038718497 1229994953 /nfs/dbraw/zinc/99/49/53/1229994953.db2.gz TYDBLMPNMYGELQ-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038718497 1229994956 /nfs/dbraw/zinc/99/49/56/1229994956.db2.gz TYDBLMPNMYGELQ-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038718497 1229994959 /nfs/dbraw/zinc/99/49/59/1229994959.db2.gz TYDBLMPNMYGELQ-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039133726 1230344082 /nfs/dbraw/zinc/34/40/82/1230344082.db2.gz URCBAFUJXOYJAF-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039133726 1230344086 /nfs/dbraw/zinc/34/40/86/1230344086.db2.gz URCBAFUJXOYJAF-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039133726 1230344091 /nfs/dbraw/zinc/34/40/91/1230344091.db2.gz URCBAFUJXOYJAF-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205124 1230431970 /nfs/dbraw/zinc/43/19/70/1230431970.db2.gz KUINWGLNBOPNKE-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205124 1230431974 /nfs/dbraw/zinc/43/19/74/1230431974.db2.gz KUINWGLNBOPNKE-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205124 1230431975 /nfs/dbraw/zinc/43/19/75/1230431975.db2.gz KUINWGLNBOPNKE-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2ccnc2)C1 ZINC001039254474 1230490087 /nfs/dbraw/zinc/49/00/87/1230490087.db2.gz VPNARXVCZOPJFG-JKSUJKDBSA-N 2 1 336.867 2.339 20 30 EEEDMP C=C(Cl)CN1CC[C@H]([C@H]2CCCCN2C(=O)Cn2ccnc2)C1 ZINC001039254474 1230490091 /nfs/dbraw/zinc/49/00/91/1230490091.db2.gz VPNARXVCZOPJFG-JKSUJKDBSA-N 2 1 336.867 2.339 20 30 EEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001039437770 1230610143 /nfs/dbraw/zinc/61/01/43/1230610143.db2.gz XICOKQZJMMHPIO-GJYPPUQNSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001039437770 1230610144 /nfs/dbraw/zinc/61/01/44/1230610144.db2.gz XICOKQZJMMHPIO-GJYPPUQNSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001039437770 1230610147 /nfs/dbraw/zinc/61/01/47/1230610147.db2.gz XICOKQZJMMHPIO-GJYPPUQNSA-N 2 1 337.483 2.450 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040493775 1231262359 /nfs/dbraw/zinc/26/23/59/1231262359.db2.gz QGZTZWQWNAHANI-FQEVSTJZSA-N 2 1 340.471 2.099 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040493775 1231262363 /nfs/dbraw/zinc/26/23/63/1231262363.db2.gz QGZTZWQWNAHANI-FQEVSTJZSA-N 2 1 340.471 2.099 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCCF)C3)CC1 ZINC001040543642 1231284670 /nfs/dbraw/zinc/28/46/70/1231284670.db2.gz QGZYHQICWNJUFX-FQEVSTJZSA-N 2 1 349.494 2.006 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)CC1 ZINC001040705126 1231342388 /nfs/dbraw/zinc/34/23/88/1231342388.db2.gz DBYIPPPERKWAKW-QGZVFWFLSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC1 ZINC001040752050 1231358101 /nfs/dbraw/zinc/35/81/01/1231358101.db2.gz CMHNTIFRPPDPTG-UHFFFAOYSA-N 2 1 346.475 2.240 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285704 1231495405 /nfs/dbraw/zinc/49/54/05/1231495405.db2.gz GZJWBSNXQBPRPX-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336098 1231510856 /nfs/dbraw/zinc/51/08/56/1231510856.db2.gz IVNPKDFDBBPBRF-IBGZPJMESA-N 2 1 345.512 2.371 20 30 EEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041349497 1231515246 /nfs/dbraw/zinc/51/52/46/1231515246.db2.gz PFDDVVSTDQVNHO-AZUAARDMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349497 1231515247 /nfs/dbraw/zinc/51/52/47/1231515247.db2.gz PFDDVVSTDQVNHO-AZUAARDMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349497 1231515248 /nfs/dbraw/zinc/51/52/48/1231515248.db2.gz PFDDVVSTDQVNHO-AZUAARDMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001041696033 1231651123 /nfs/dbraw/zinc/65/11/23/1231651123.db2.gz KEBWGUXPALKJMT-IIDMSEBBSA-N 2 1 348.878 2.201 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001041696033 1231651124 /nfs/dbraw/zinc/65/11/24/1231651124.db2.gz KEBWGUXPALKJMT-IIDMSEBBSA-N 2 1 348.878 2.201 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723886 1231662140 /nfs/dbraw/zinc/66/21/40/1231662140.db2.gz LWFIKDGZKYXVCU-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723886 1231662141 /nfs/dbraw/zinc/66/21/41/1231662141.db2.gz LWFIKDGZKYXVCU-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723886 1231662143 /nfs/dbraw/zinc/66/21/43/1231662143.db2.gz LWFIKDGZKYXVCU-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757401 1231679215 /nfs/dbraw/zinc/67/92/15/1231679215.db2.gz UYCGKRKYXVDWPC-GOSISDBHSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757401 1231679217 /nfs/dbraw/zinc/67/92/17/1231679217.db2.gz UYCGKRKYXVDWPC-GOSISDBHSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782583 1231692109 /nfs/dbraw/zinc/69/21/09/1231692109.db2.gz AQFGJVQUQRTPPC-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782583 1231692112 /nfs/dbraw/zinc/69/21/12/1231692112.db2.gz AQFGJVQUQRTPPC-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782583 1231692114 /nfs/dbraw/zinc/69/21/14/1231692114.db2.gz AQFGJVQUQRTPPC-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845579 1231729028 /nfs/dbraw/zinc/72/90/28/1231729028.db2.gz ISBFYTRPEJNYSO-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC001044745706 1233231071 /nfs/dbraw/zinc/23/10/71/1233231071.db2.gz YYQOKHBAJZQGAX-LSDHHAIUSA-N 2 1 332.448 2.039 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045073608 1233486053 /nfs/dbraw/zinc/48/60/53/1233486053.db2.gz KKJVYZZEJUUBBH-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045073608 1233486056 /nfs/dbraw/zinc/48/60/56/1233486056.db2.gz KKJVYZZEJUUBBH-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001045200854 1233577296 /nfs/dbraw/zinc/57/72/96/1233577296.db2.gz SIXJWDDMONFSOB-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951940 1234218880 /nfs/dbraw/zinc/21/88/80/1234218880.db2.gz KQVLENRXXXCAOH-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951940 1234218882 /nfs/dbraw/zinc/21/88/82/1234218882.db2.gz KQVLENRXXXCAOH-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045961552 1234237479 /nfs/dbraw/zinc/23/74/79/1234237479.db2.gz QYYQAYOFHCCRQE-ZJOUEHCJSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961552 1234237481 /nfs/dbraw/zinc/23/74/81/1234237481.db2.gz QYYQAYOFHCCRQE-ZJOUEHCJSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961552 1234237485 /nfs/dbraw/zinc/23/74/85/1234237485.db2.gz QYYQAYOFHCCRQE-ZJOUEHCJSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046731529 1235124247 /nfs/dbraw/zinc/12/42/47/1235124247.db2.gz LIYLORWXTHBVDX-GOSISDBHSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046731529 1235124249 /nfs/dbraw/zinc/12/42/49/1235124249.db2.gz LIYLORWXTHBVDX-GOSISDBHSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001046849332 1235246623 /nfs/dbraw/zinc/24/66/23/1235246623.db2.gz CWPBHZFHXLVUFS-NRFANRHFSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046963983 1235364792 /nfs/dbraw/zinc/36/47/92/1235364792.db2.gz KZKDOVXTZGYSCR-HOTGVXAUSA-N 2 1 343.462 2.368 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046963983 1235364794 /nfs/dbraw/zinc/36/47/94/1235364794.db2.gz KZKDOVXTZGYSCR-HOTGVXAUSA-N 2 1 343.462 2.368 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046963983 1235364800 /nfs/dbraw/zinc/36/48/00/1235364800.db2.gz KZKDOVXTZGYSCR-HOTGVXAUSA-N 2 1 343.462 2.368 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001048532649 1237892711 /nfs/dbraw/zinc/89/27/11/1237892711.db2.gz BMNATAPWPBSEGK-YRPNKDGESA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001048532649 1237892719 /nfs/dbraw/zinc/89/27/19/1237892719.db2.gz BMNATAPWPBSEGK-YRPNKDGESA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001048532649 1237892731 /nfs/dbraw/zinc/89/27/31/1237892731.db2.gz BMNATAPWPBSEGK-YRPNKDGESA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001048532649 1237892744 /nfs/dbraw/zinc/89/27/44/1237892744.db2.gz BMNATAPWPBSEGK-YRPNKDGESA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001048557563 1237958654 /nfs/dbraw/zinc/95/86/54/1237958654.db2.gz PPAZRYZJJYMCLZ-AKHDSKFASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048557563 1237958656 /nfs/dbraw/zinc/95/86/56/1237958656.db2.gz PPAZRYZJJYMCLZ-AKHDSKFASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048557563 1237958663 /nfs/dbraw/zinc/95/86/63/1237958663.db2.gz PPAZRYZJJYMCLZ-AKHDSKFASA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@H]2C1 ZINC001048887612 1239143113 /nfs/dbraw/zinc/14/31/13/1239143113.db2.gz CZPCELQNVUMAKD-VVLHAWIVSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C[C@H]2C1 ZINC001048887612 1239143121 /nfs/dbraw/zinc/14/31/21/1239143121.db2.gz CZPCELQNVUMAKD-VVLHAWIVSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@H]2C1 ZINC001048887612 1239143127 /nfs/dbraw/zinc/14/31/27/1239143127.db2.gz CZPCELQNVUMAKD-VVLHAWIVSA-N 2 1 337.895 2.146 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001000186726 1240041811 /nfs/dbraw/zinc/04/18/11/1240041811.db2.gz VWNDIWFVZAXECS-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171011 1240174251 /nfs/dbraw/zinc/17/42/51/1240174251.db2.gz IAZYXUAUEUCEEE-NCOADZHNSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001000775935 1240917402 /nfs/dbraw/zinc/91/74/02/1240917402.db2.gz HTGOAUFVTVJWQR-QGZVFWFLSA-N 2 1 328.460 2.475 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001000775935 1240917407 /nfs/dbraw/zinc/91/74/07/1240917407.db2.gz HTGOAUFVTVJWQR-QGZVFWFLSA-N 2 1 328.460 2.475 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049514653 1241189432 /nfs/dbraw/zinc/18/94/32/1241189432.db2.gz IFYLXYKLFVDNQT-GUDVDZBRSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514653 1241189438 /nfs/dbraw/zinc/18/94/38/1241189438.db2.gz IFYLXYKLFVDNQT-GUDVDZBRSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514653 1241189442 /nfs/dbraw/zinc/18/94/42/1241189442.db2.gz IFYLXYKLFVDNQT-GUDVDZBRSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049525451 1241249563 /nfs/dbraw/zinc/24/95/63/1241249563.db2.gz QPHGHBMSGOREIZ-VAMGGRTRSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049525451 1241249570 /nfs/dbraw/zinc/24/95/70/1241249570.db2.gz QPHGHBMSGOREIZ-VAMGGRTRSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049525451 1241249580 /nfs/dbraw/zinc/24/95/80/1241249580.db2.gz QPHGHBMSGOREIZ-VAMGGRTRSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049615705 1241653408 /nfs/dbraw/zinc/65/34/08/1241653408.db2.gz NKWDCBLWMQYFSC-WOJBJXKFSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762213 1242119337 /nfs/dbraw/zinc/11/93/37/1242119337.db2.gz OKUISAWCQJHHMG-DLBZAZTESA-N 2 1 328.460 2.095 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762213 1242119342 /nfs/dbraw/zinc/11/93/42/1242119342.db2.gz OKUISAWCQJHHMG-DLBZAZTESA-N 2 1 328.460 2.095 20 30 EEEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC001050632407 1243995591 /nfs/dbraw/zinc/99/55/91/1243995591.db2.gz JQOOWMWNFKLGPQ-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001050766020 1244320291 /nfs/dbraw/zinc/32/02/91/1244320291.db2.gz CKNYGOYXONRJDI-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052704107 1244790764 /nfs/dbraw/zinc/79/07/64/1244790764.db2.gz ZSPNKBIXQVDUNC-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704107 1244790767 /nfs/dbraw/zinc/79/07/67/1244790767.db2.gz ZSPNKBIXQVDUNC-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704107 1244790772 /nfs/dbraw/zinc/79/07/72/1244790772.db2.gz ZSPNKBIXQVDUNC-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C/C=C\Cl)CC2)CC1 ZINC001052952054 1245541427 /nfs/dbraw/zinc/54/14/27/1245541427.db2.gz BJHCYOLXFIRQET-INDRUJQFSA-N 2 1 337.895 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H](F)CC)CC2)CC1 ZINC001052957638 1245555533 /nfs/dbraw/zinc/55/55/33/1245555533.db2.gz IGGBCRLHWNYBFB-QZTJIDSGSA-N 2 1 337.483 2.050 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342915 1245688040 /nfs/dbraw/zinc/68/80/40/1245688040.db2.gz UMVMJFKNBUBFJI-LMMKCTJWSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053032967 1245725511 /nfs/dbraw/zinc/72/55/11/1245725511.db2.gz QKZUETCSHBWQSB-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053089837 1245874494 /nfs/dbraw/zinc/87/44/94/1245874494.db2.gz DKNPUIASHFRRNH-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053089837 1245874500 /nfs/dbraw/zinc/87/45/00/1245874500.db2.gz DKNPUIASHFRRNH-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108023 1245927965 /nfs/dbraw/zinc/92/79/65/1245927965.db2.gz ONGSTWWIVMUKEX-RTBURBONSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001101547524 1245951264 /nfs/dbraw/zinc/95/12/64/1245951264.db2.gz FHMPBMCWOBCSMN-SFHVURJKSA-N 2 1 347.547 2.452 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001054058489 1247264236 /nfs/dbraw/zinc/26/42/36/1247264236.db2.gz NGWBKZDIEWZVFX-IBGZPJMESA-N 2 1 339.483 2.201 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001054146786 1247525063 /nfs/dbraw/zinc/52/50/63/1247525063.db2.gz IPBFVYXEUUWVSB-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054146786 1247525068 /nfs/dbraw/zinc/52/50/68/1247525068.db2.gz IPBFVYXEUUWVSB-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054146786 1247525074 /nfs/dbraw/zinc/52/50/74/1247525074.db2.gz IPBFVYXEUUWVSB-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174569 1247610632 /nfs/dbraw/zinc/61/06/32/1247610632.db2.gz ULGNSOYRHBACJW-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001054197917 1247688746 /nfs/dbraw/zinc/68/87/46/1247688746.db2.gz LQHDZLMSSJHDSG-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001054197917 1247688754 /nfs/dbraw/zinc/68/87/54/1247688754.db2.gz LQHDZLMSSJHDSG-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054244843 1247858195 /nfs/dbraw/zinc/85/81/95/1247858195.db2.gz JUJLCOUWFKWHLP-FQEVSTJZSA-N 2 1 331.504 2.200 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245194 1247860775 /nfs/dbraw/zinc/86/07/75/1247860775.db2.gz PNHPAKHJYPFIMY-HXUWFJFHSA-N 2 1 331.504 2.200 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001071175796 1254030846 /nfs/dbraw/zinc/03/08/46/1254030846.db2.gz LEGSEUVQFNIXRM-MJGOQNOKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185783902 1278781103 /nfs/dbraw/zinc/78/11/03/1278781103.db2.gz LBHNSJGYVYZOCR-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001188158199 1279791177 /nfs/dbraw/zinc/79/11/77/1279791177.db2.gz GUKCGESKYASFLW-GOSISDBHSA-N 2 1 347.890 2.222 20 30 EEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989517 1281737464 /nfs/dbraw/zinc/73/74/64/1281737464.db2.gz YGJPFGQFMMWUEB-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989517 1281737470 /nfs/dbraw/zinc/73/74/70/1281737470.db2.gz YGJPFGQFMMWUEB-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001197188167 1284479075 /nfs/dbraw/zinc/47/90/75/1284479075.db2.gz TYZVEIIASREZMS-GVDBMIGSSA-N 2 1 330.476 2.413 20 30 EEEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001071063270 1286745620 /nfs/dbraw/zinc/74/56/20/1286745620.db2.gz MYRITCGIJUOSCL-NSHGMRRFSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071973990 1295057631 /nfs/dbraw/zinc/05/76/31/1295057631.db2.gz JTMZOOCJTOAKGP-VQIMIIECSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001073603395 1297300217 /nfs/dbraw/zinc/30/02/17/1297300217.db2.gz FPOSDKPHAVECAQ-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001073603395 1297300229 /nfs/dbraw/zinc/30/02/29/1297300229.db2.gz FPOSDKPHAVECAQ-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001073603395 1297300243 /nfs/dbraw/zinc/30/02/43/1297300243.db2.gz FPOSDKPHAVECAQ-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001073603396 1297300726 /nfs/dbraw/zinc/30/07/26/1297300726.db2.gz FPOSDKPHAVECAQ-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001073603396 1297300738 /nfs/dbraw/zinc/30/07/38/1297300738.db2.gz FPOSDKPHAVECAQ-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001073603396 1297300752 /nfs/dbraw/zinc/30/07/52/1297300752.db2.gz FPOSDKPHAVECAQ-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@H](C)CCC=C)C[C@H]32)CC1 ZINC001222044126 1299298973 /nfs/dbraw/zinc/29/89/73/1299298973.db2.gz PQPBCBDCLOTTMX-MISYRCLQSA-N 2 1 343.515 2.219 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001223374547 1300106810 /nfs/dbraw/zinc/10/68/10/1300106810.db2.gz PMQXKJRKBOCDGR-HNNXBMFYSA-N 2 1 333.879 2.247 20 30 EEEDMP C#CCCC[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001276979728 1300638908 /nfs/dbraw/zinc/63/89/08/1300638908.db2.gz LUXATMOZXXXSAR-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001228054477 1302077211 /nfs/dbraw/zinc/07/72/11/1302077211.db2.gz RBSDGGOEKJNWSC-UHFFFAOYSA-N 2 1 342.487 2.369 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592366 1303300383 /nfs/dbraw/zinc/30/03/83/1303300383.db2.gz ZZVZDTWSSDEFDF-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001103756964 1303302503 /nfs/dbraw/zinc/30/25/03/1303302503.db2.gz HIXVPMYNWVMAPN-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)CCC[NH+](C)C)Cc1cccnc1 ZINC001230829930 1303486570 /nfs/dbraw/zinc/48/65/70/1303486570.db2.gz RTOAMBXXKOWKAY-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001112021404 1304167787 /nfs/dbraw/zinc/16/77/87/1304167787.db2.gz LSPSZYGKADMVQS-ICSRJNTNSA-N 2 1 327.472 2.275 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001112021404 1304167788 /nfs/dbraw/zinc/16/77/88/1304167788.db2.gz LSPSZYGKADMVQS-ICSRJNTNSA-N 2 1 327.472 2.275 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112021404 1304167789 /nfs/dbraw/zinc/16/77/89/1304167789.db2.gz LSPSZYGKADMVQS-ICSRJNTNSA-N 2 1 327.472 2.275 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112021404 1304167793 /nfs/dbraw/zinc/16/77/93/1304167793.db2.gz LSPSZYGKADMVQS-ICSRJNTNSA-N 2 1 327.472 2.275 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC)C1 ZINC001112404157 1304525967 /nfs/dbraw/zinc/52/59/67/1304525967.db2.gz JWJDENKGHFVZMI-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC)C1 ZINC001112404157 1304525972 /nfs/dbraw/zinc/52/59/72/1304525972.db2.gz JWJDENKGHFVZMI-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](CCCC[NH3+])C3)C2)c1 ZINC001235638169 1305310791 /nfs/dbraw/zinc/31/07/91/1305310791.db2.gz WOBGIPWUTSJWSH-HXUWFJFHSA-N 2 1 342.487 2.216 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCCCC1 ZINC001115696462 1305629736 /nfs/dbraw/zinc/62/97/36/1305629736.db2.gz XZDPXMAOBACRLE-KRWDZBQOSA-N 2 1 342.487 2.186 20 30 EEEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CCCCC1 ZINC001115766113 1305748683 /nfs/dbraw/zinc/74/86/83/1305748683.db2.gz WDKIFTNZBDSOER-INIZCTEOSA-N 2 1 348.491 2.200 20 30 EEEDMP CCc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)ccc1C#N ZINC001278034749 1305754331 /nfs/dbraw/zinc/75/43/31/1305754331.db2.gz XCZHCFBBCTXPGM-PMACEKPBSA-N 2 1 326.488 2.331 20 30 EEEDMP C#CC[N@H+](C)Cc1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC001237094612 1305793405 /nfs/dbraw/zinc/79/34/05/1305793405.db2.gz CJBXTQKQKWDCJD-UHFFFAOYSA-N 2 1 336.277 2.266 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCn2ccnc2)C1 ZINC001120458621 1309554249 /nfs/dbraw/zinc/55/42/49/1309554249.db2.gz HVMSAVQNLWHVGO-OALUTQOASA-N 2 1 342.487 2.390 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001120470687 1309566839 /nfs/dbraw/zinc/56/68/39/1309566839.db2.gz SVNJDJJJIURCQS-MOPGFXCFSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120878349 1309808989 /nfs/dbraw/zinc/80/89/89/1309808989.db2.gz CJEMDSPAYASCAC-WZXTXQKWSA-N 2 1 349.519 2.080 20 30 EEEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120878349 1309808996 /nfs/dbraw/zinc/80/89/96/1309808996.db2.gz CJEMDSPAYASCAC-WZXTXQKWSA-N 2 1 349.519 2.080 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)s1 ZINC001160867057 1320296046 /nfs/dbraw/zinc/29/60/46/1320296046.db2.gz DXXZQTZKLSKLSY-RHSMWYFYSA-N 2 1 346.500 2.233 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001149738985 1316031824 /nfs/dbraw/zinc/03/18/24/1316031824.db2.gz HGZPHYGBPMLGMO-DLBZAZTESA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001149738985 1316031831 /nfs/dbraw/zinc/03/18/31/1316031831.db2.gz HGZPHYGBPMLGMO-DLBZAZTESA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149847709 1316065485 /nfs/dbraw/zinc/06/54/85/1316065485.db2.gz HVXYRAFTEOJSTK-IRXDYDNUSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150395677 1316256543 /nfs/dbraw/zinc/25/65/43/1316256543.db2.gz WELAPBKLFQPBAB-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715810 1316352144 /nfs/dbraw/zinc/35/21/44/1316352144.db2.gz MNZMELBDQBTSJB-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(F)cc1 ZINC001153891019 1316909118 /nfs/dbraw/zinc/90/91/18/1316909118.db2.gz HECWOAMHEIKPLV-APWZRJJASA-N 2 1 345.462 2.250 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(F)cc1 ZINC001153891019 1316909120 /nfs/dbraw/zinc/90/91/20/1316909120.db2.gz HECWOAMHEIKPLV-APWZRJJASA-N 2 1 345.462 2.250 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(F)cc1 ZINC001153891019 1316909123 /nfs/dbraw/zinc/90/91/23/1316909123.db2.gz HECWOAMHEIKPLV-APWZRJJASA-N 2 1 345.462 2.250 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(F)cc1 ZINC001153891019 1316909124 /nfs/dbraw/zinc/90/91/24/1316909124.db2.gz HECWOAMHEIKPLV-APWZRJJASA-N 2 1 345.462 2.250 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033788 1316941469 /nfs/dbraw/zinc/94/14/69/1316941469.db2.gz MWEMEMFJNRJZCC-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033788 1316941470 /nfs/dbraw/zinc/94/14/70/1316941470.db2.gz MWEMEMFJNRJZCC-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033788 1316941471 /nfs/dbraw/zinc/94/14/71/1316941471.db2.gz MWEMEMFJNRJZCC-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255583 1317524564 /nfs/dbraw/zinc/52/45/64/1317524564.db2.gz USZLANBFVZDAEV-RTBURBONSA-N 2 1 341.499 2.207 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155255583 1317524568 /nfs/dbraw/zinc/52/45/68/1317524568.db2.gz USZLANBFVZDAEV-RTBURBONSA-N 2 1 341.499 2.207 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155255583 1317524570 /nfs/dbraw/zinc/52/45/70/1317524570.db2.gz USZLANBFVZDAEV-RTBURBONSA-N 2 1 341.499 2.207 20 30 EEEDMP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252132284 1317559435 /nfs/dbraw/zinc/55/94/35/1317559435.db2.gz DMLGFLQPRWUFSH-MSOLQXFVSA-N 2 1 341.540 2.240 20 30 EEEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252132284 1317559441 /nfs/dbraw/zinc/55/94/41/1317559441.db2.gz DMLGFLQPRWUFSH-MSOLQXFVSA-N 2 1 341.540 2.240 20 30 EEEDMP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252552427 1317634849 /nfs/dbraw/zinc/63/48/49/1317634849.db2.gz JSJCVDSBNIMDAW-RTBURBONSA-N 2 1 345.487 2.074 20 30 EEEDMP C#CCCC1(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)N=N1 ZINC001252951466 1317738545 /nfs/dbraw/zinc/73/85/45/1317738545.db2.gz NLAJMEQJDKMFHB-SFHVURJKSA-N 2 1 326.444 2.179 20 30 EEEDMP C#CCCC1(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)N=N1 ZINC001252951466 1317738551 /nfs/dbraw/zinc/73/85/51/1317738551.db2.gz NLAJMEQJDKMFHB-SFHVURJKSA-N 2 1 326.444 2.179 20 30 EEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001158029599 1318975935 /nfs/dbraw/zinc/97/59/35/1318975935.db2.gz KKEWRZWAINGSRD-SJORKVTESA-N 2 1 325.472 2.003 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158435147 1319237259 /nfs/dbraw/zinc/23/72/59/1319237259.db2.gz SYWGLNWWFMPZAD-MRXNPFEDSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158435147 1319237265 /nfs/dbraw/zinc/23/72/65/1319237265.db2.gz SYWGLNWWFMPZAD-MRXNPFEDSA-N 2 1 327.900 2.394 20 30 EEEDMP N#Cc1cccc2c1CC[C@H]2Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001159916598 1320021000 /nfs/dbraw/zinc/02/10/00/1320021000.db2.gz PECPKOTWCUZIPT-QGZVFWFLSA-N 2 1 334.427 2.375 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC(C)C)CC1 ZINC001160386276 1320152220 /nfs/dbraw/zinc/15/22/20/1320152220.db2.gz QWSLPXIQGRUFMC-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001160386276 1320152221 /nfs/dbraw/zinc/15/22/21/1320152221.db2.gz QWSLPXIQGRUFMC-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)C)CC1 ZINC001160386276 1320152223 /nfs/dbraw/zinc/15/22/23/1320152223.db2.gz QWSLPXIQGRUFMC-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)C)CC1 ZINC001160386276 1320152227 /nfs/dbraw/zinc/15/22/27/1320152227.db2.gz QWSLPXIQGRUFMC-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160786654 1320267915 /nfs/dbraw/zinc/26/79/15/1320267915.db2.gz BOSJXRGIUKTONE-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(CC)CC)CC1 ZINC001165545855 1321543644 /nfs/dbraw/zinc/54/36/44/1321543644.db2.gz RYVKDRGMLUMKKA-SFHVURJKSA-N 2 1 333.520 2.396 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(CC)CC)CC1 ZINC001165545855 1321543647 /nfs/dbraw/zinc/54/36/47/1321543647.db2.gz RYVKDRGMLUMKKA-SFHVURJKSA-N 2 1 333.520 2.396 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205668558 1323236822 /nfs/dbraw/zinc/23/68/22/1323236822.db2.gz FHBHTRFHFDIEQR-FUHWJXTLSA-N 2 1 333.451 2.238 20 30 EEEDMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001353237538 1338221590 /nfs/dbraw/zinc/22/15/90/1338221590.db2.gz BADRQDMYZDTHBS-QGZVFWFLSA-N 2 1 342.443 2.102 20 30 EEEDMP N#Cc1cccc(CNC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC001580075989 1344466832 /nfs/dbraw/zinc/46/68/32/1344466832.db2.gz MQAVREMZADTJEM-MOPGFXCFSA-N 2 1 340.471 2.029 20 30 EEEDMP N#Cc1cccc(CNC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC001580075989 1344466838 /nfs/dbraw/zinc/46/68/38/1344466838.db2.gz MQAVREMZADTJEM-MOPGFXCFSA-N 2 1 340.471 2.029 20 30 EEEDMP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001669833123 1356220493 /nfs/dbraw/zinc/22/04/93/1356220493.db2.gz OBVDVGITLZSQOY-MAUKXSAKSA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001669833123 1356220496 /nfs/dbraw/zinc/22/04/96/1356220496.db2.gz OBVDVGITLZSQOY-MAUKXSAKSA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001669882694 1356232288 /nfs/dbraw/zinc/23/22/88/1356232288.db2.gz OBVDVGITLZSQOY-QAPCUYQASA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001669882694 1356232290 /nfs/dbraw/zinc/23/22/90/1356232290.db2.gz OBVDVGITLZSQOY-QAPCUYQASA-N 2 1 349.906 2.468 20 30 EEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001100615065 1373097161 /nfs/dbraw/zinc/09/71/61/1373097161.db2.gz NEUFDSRZBXBDAX-AQFXKWCLSA-N 2 1 330.476 2.205 20 30 EEEDMP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001367360329 1374154761 /nfs/dbraw/zinc/15/47/61/1374154761.db2.gz QUNSJDFJABFHQH-CYBMUJFWSA-N 2 1 334.489 2.041 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001368067688 1374332610 /nfs/dbraw/zinc/33/26/10/1374332610.db2.gz QKBPJTVIWQGSLL-KRWDZBQOSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001368067688 1374332616 /nfs/dbraw/zinc/33/26/16/1374332616.db2.gz QKBPJTVIWQGSLL-KRWDZBQOSA-N 2 1 327.900 2.395 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001376584360 1378613009 /nfs/dbraw/zinc/61/30/09/1378613009.db2.gz XANNMGQGUKZNJS-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001376584360 1378613010 /nfs/dbraw/zinc/61/30/10/1378613010.db2.gz XANNMGQGUKZNJS-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC001376584360 1378613011 /nfs/dbraw/zinc/61/30/11/1378613011.db2.gz XANNMGQGUKZNJS-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001377394043 1379201238 /nfs/dbraw/zinc/20/12/38/1379201238.db2.gz YCRUYBHRPCEGFH-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001377394043 1379201242 /nfs/dbraw/zinc/20/12/42/1379201242.db2.gz YCRUYBHRPCEGFH-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001377394043 1379201244 /nfs/dbraw/zinc/20/12/44/1379201244.db2.gz YCRUYBHRPCEGFH-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001378895443 1380245230 /nfs/dbraw/zinc/24/52/30/1380245230.db2.gz IQFMQORTNSHKPP-JSGCOSHPSA-N 2 1 346.313 2.063 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001391364695 1389317711 /nfs/dbraw/zinc/31/77/11/1389317711.db2.gz WQHVSBKQIULNJJ-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752801605 1406422250 /nfs/dbraw/zinc/42/22/50/1406422250.db2.gz PULVHPHSNGMRGS-QGZVFWFLSA-N 2 1 333.520 2.491 20 30 EEEDMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001424303283 1401039088 /nfs/dbraw/zinc/03/90/88/1401039088.db2.gz WBGOIWSCYYGHCJ-GOSISDBHSA-N 2 1 330.476 2.179 20 30 EEEDMP CCC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001755322428 1407319204 /nfs/dbraw/zinc/31/92/04/1407319204.db2.gz IGKFDKMBUFPMAW-SFHVURJKSA-N 2 1 329.488 2.207 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001755322428 1407319214 /nfs/dbraw/zinc/31/92/14/1407319214.db2.gz IGKFDKMBUFPMAW-SFHVURJKSA-N 2 1 329.488 2.207 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001755322428 1407319223 /nfs/dbraw/zinc/31/92/23/1407319223.db2.gz IGKFDKMBUFPMAW-SFHVURJKSA-N 2 1 329.488 2.207 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001755322428 1407319232 /nfs/dbraw/zinc/31/92/32/1407319232.db2.gz IGKFDKMBUFPMAW-SFHVURJKSA-N 2 1 329.488 2.207 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001167628247 760773974 /nfs/dbraw/zinc/77/39/74/760773974.db2.gz YAPHJOHGLHTRIY-IBGZPJMESA-N 2 1 342.487 2.417 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087302898 761540149 /nfs/dbraw/zinc/54/01/49/761540149.db2.gz BYPXDZAVKMKIRZ-BHIYHBOVSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087302898 761540156 /nfs/dbraw/zinc/54/01/56/761540156.db2.gz BYPXDZAVKMKIRZ-BHIYHBOVSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087302898 761540163 /nfs/dbraw/zinc/54/01/63/761540163.db2.gz BYPXDZAVKMKIRZ-BHIYHBOVSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104752939 765196025 /nfs/dbraw/zinc/19/60/25/765196025.db2.gz QHACSEGIDZJYDS-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942521332 782612911 /nfs/dbraw/zinc/61/29/11/782612911.db2.gz TZLCQFUCTWZLEY-HOTGVXAUSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942521332 782612918 /nfs/dbraw/zinc/61/29/18/782612918.db2.gz TZLCQFUCTWZLEY-HOTGVXAUSA-N 2 1 330.476 2.165 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC(C)(C)C1 ZINC001089413480 768891172 /nfs/dbraw/zinc/89/11/72/768891172.db2.gz XKUSURSGCGWMIY-ARFHVFGLSA-N 2 1 328.460 2.143 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC(C)(C)C1 ZINC001089413480 768891184 /nfs/dbraw/zinc/89/11/84/768891184.db2.gz XKUSURSGCGWMIY-ARFHVFGLSA-N 2 1 328.460 2.143 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993788 782736566 /nfs/dbraw/zinc/73/65/66/782736566.db2.gz CXUCGDLFGBZEDY-AOIWGVFYSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993788 782736572 /nfs/dbraw/zinc/73/65/72/782736572.db2.gz CXUCGDLFGBZEDY-AOIWGVFYSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993788 782736579 /nfs/dbraw/zinc/73/65/79/782736579.db2.gz CXUCGDLFGBZEDY-AOIWGVFYSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001112529938 770344952 /nfs/dbraw/zinc/34/49/52/770344952.db2.gz WADBMAZCLKQCNX-VDGAXYAQSA-N 2 1 349.494 2.050 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212575 783065861 /nfs/dbraw/zinc/06/58/61/783065861.db2.gz AJDVCSMMESPDGK-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108097386 783096806 /nfs/dbraw/zinc/09/68/06/783096806.db2.gz IFNUWEGNKMPKPS-QUCCMNQESA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001089649287 773776260 /nfs/dbraw/zinc/77/62/60/773776260.db2.gz GOYFDWRSBKQRCC-IRXDYDNUSA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649287 773776265 /nfs/dbraw/zinc/77/62/65/773776265.db2.gz GOYFDWRSBKQRCC-IRXDYDNUSA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001089660835 774047084 /nfs/dbraw/zinc/04/70/84/774047084.db2.gz QGEXHGLASOIQJI-IRXDYDNUSA-N 2 1 342.487 2.076 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980221676 774114544 /nfs/dbraw/zinc/11/45/44/774114544.db2.gz RVXIAKFKQUPFIN-UFYCRDLUSA-N 2 1 345.531 2.347 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)C[C@@H](NC(=O)CC[NH+](C)C)c1ccccc1O2 ZINC001111531806 790357400 /nfs/dbraw/zinc/35/74/00/790357400.db2.gz IXONNERSDGYOLS-XLIONFOSSA-N 2 1 343.471 2.209 20 30 EEEDMP CN1CCCC[C@H]1C(=O)NC[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001027971942 775448795 /nfs/dbraw/zinc/44/87/95/775448795.db2.gz OCWPOEYSDKWOOP-PMACEKPBSA-N 2 1 339.483 2.103 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138909 778354299 /nfs/dbraw/zinc/35/42/99/778354299.db2.gz ZEOYAKDTALRXIY-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138909 778354305 /nfs/dbraw/zinc/35/43/05/778354305.db2.gz ZEOYAKDTALRXIY-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982113999 779124126 /nfs/dbraw/zinc/12/41/26/779124126.db2.gz UMUVFZMOKMZGSO-OAHLLOKOSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000982113999 779124129 /nfs/dbraw/zinc/12/41/29/779124129.db2.gz UMUVFZMOKMZGSO-OAHLLOKOSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982113999 779124131 /nfs/dbraw/zinc/12/41/31/779124131.db2.gz UMUVFZMOKMZGSO-OAHLLOKOSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982113999 779124134 /nfs/dbraw/zinc/12/41/34/779124134.db2.gz UMUVFZMOKMZGSO-OAHLLOKOSA-N 2 1 325.884 2.005 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C/C=C/Cl)C[C@]2(C)C1 ZINC000982298396 779620994 /nfs/dbraw/zinc/62/09/94/779620994.db2.gz DJCDGAXNPFUCMF-BFABIMEPSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C/C=C/Cl)C[C@]2(C)C1 ZINC000982298396 779620996 /nfs/dbraw/zinc/62/09/96/779620996.db2.gz DJCDGAXNPFUCMF-BFABIMEPSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C/C=C/Cl)C[C@]2(C)C1 ZINC000982298396 779621000 /nfs/dbraw/zinc/62/10/00/779621000.db2.gz DJCDGAXNPFUCMF-BFABIMEPSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C/C=C/Cl)C[C@]2(C)C1 ZINC000982298396 779621003 /nfs/dbraw/zinc/62/10/03/779621003.db2.gz DJCDGAXNPFUCMF-BFABIMEPSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC(CC)CC)CC1 ZINC001028332969 780771941 /nfs/dbraw/zinc/77/19/41/780771941.db2.gz AFZLIBDISFMVKQ-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001089860926 780868752 /nfs/dbraw/zinc/86/87/52/780868752.db2.gz CNHLMQSXLACLII-MLHJIOFPSA-N 2 1 331.504 2.073 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089860926 780868756 /nfs/dbraw/zinc/86/87/56/780868756.db2.gz CNHLMQSXLACLII-MLHJIOFPSA-N 2 1 331.504 2.073 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089860926 780868762 /nfs/dbraw/zinc/86/87/62/780868762.db2.gz CNHLMQSXLACLII-MLHJIOFPSA-N 2 1 331.504 2.073 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793553 781606685 /nfs/dbraw/zinc/60/66/85/781606685.db2.gz IYTWDUOJNRGIBE-JENIJYKNSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793553 781606693 /nfs/dbraw/zinc/60/66/93/781606693.db2.gz IYTWDUOJNRGIBE-JENIJYKNSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793553 781606698 /nfs/dbraw/zinc/60/66/98/781606698.db2.gz IYTWDUOJNRGIBE-JENIJYKNSA-N 2 1 331.504 2.360 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1CC#Cc1ccccc1 ZINC001087519337 781650096 /nfs/dbraw/zinc/65/00/96/781650096.db2.gz JUODZXWEUYDKRY-ZCNNSNEGSA-N 2 1 339.483 2.101 20 30 EEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997734172 790933231 /nfs/dbraw/zinc/93/32/31/790933231.db2.gz FKWWRBBJIADKTC-WMLDXEAASA-N 2 1 330.476 2.157 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184407 784020473 /nfs/dbraw/zinc/02/04/73/784020473.db2.gz JPXFZIJMMSONFK-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184407 784020482 /nfs/dbraw/zinc/02/04/82/784020482.db2.gz JPXFZIJMMSONFK-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035184407 784020489 /nfs/dbraw/zinc/02/04/89/784020489.db2.gz JPXFZIJMMSONFK-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035193775 784083593 /nfs/dbraw/zinc/08/35/93/784083593.db2.gz OGTIXCREMWPQNJ-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035193775 784083598 /nfs/dbraw/zinc/08/35/98/784083598.db2.gz OGTIXCREMWPQNJ-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135676611 784211603 /nfs/dbraw/zinc/21/16/03/784211603.db2.gz ZEWAZHPUGFBSHT-ZWKOTPCHSA-N 2 1 339.524 2.328 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC001035813324 785215367 /nfs/dbraw/zinc/21/53/67/785215367.db2.gz VKOPQCZIABMALK-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000996684090 787129261 /nfs/dbraw/zinc/12/92/61/787129261.db2.gz FZKZRTJMTFVTEB-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000996684090 787129264 /nfs/dbraw/zinc/12/92/64/787129264.db2.gz FZKZRTJMTFVTEB-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001203456190 788044426 /nfs/dbraw/zinc/04/44/26/788044426.db2.gz QXNDIOXFIXGFAO-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991498871 789128684 /nfs/dbraw/zinc/12/86/84/789128684.db2.gz CHIBCFMQMPAPCX-FUHWJXTLSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991498871 789128685 /nfs/dbraw/zinc/12/86/85/789128685.db2.gz CHIBCFMQMPAPCX-FUHWJXTLSA-N 2 1 332.448 2.039 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000923561191 789771833 /nfs/dbraw/zinc/77/18/33/789771833.db2.gz UVTUBFJUYMNCQG-LJQANCHMSA-N 2 1 325.456 2.110 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000923561191 789771838 /nfs/dbraw/zinc/77/18/38/789771838.db2.gz UVTUBFJUYMNCQG-LJQANCHMSA-N 2 1 325.456 2.110 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C(F)(F)F ZINC001112103374 789784736 /nfs/dbraw/zinc/78/47/36/789784736.db2.gz BXMVUHUBAJDABQ-GBJTYRQASA-N 2 1 347.425 2.272 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146595001 791366412 /nfs/dbraw/zinc/36/64/12/791366412.db2.gz WDBKYERTUJXSOI-KGLIPLIRSA-N 2 1 336.505 2.333 20 30 EEEDMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001147358618 791798442 /nfs/dbraw/zinc/79/84/42/791798442.db2.gz HILTWEQNVQUHLI-HXUWFJFHSA-N 2 1 341.499 2.399 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998029593 791856043 /nfs/dbraw/zinc/85/60/43/791856043.db2.gz GMBVRJFRFHOGQB-ROUUACIJSA-N 2 1 342.487 2.487 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998029593 791856047 /nfs/dbraw/zinc/85/60/47/791856047.db2.gz GMBVRJFRFHOGQB-ROUUACIJSA-N 2 1 342.487 2.487 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687300 792232626 /nfs/dbraw/zinc/23/26/26/792232626.db2.gz ZYKLAIZGKAISBB-RMJJICAUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687300 792232641 /nfs/dbraw/zinc/23/26/41/792232641.db2.gz ZYKLAIZGKAISBB-RMJJICAUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687300 792232648 /nfs/dbraw/zinc/23/26/48/792232648.db2.gz ZYKLAIZGKAISBB-RMJJICAUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137010 792872293 /nfs/dbraw/zinc/87/22/93/792872293.db2.gz LWHIWIXZNUXBEL-QWFCFKBJSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137010 792872303 /nfs/dbraw/zinc/87/23/03/792872303.db2.gz LWHIWIXZNUXBEL-QWFCFKBJSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137010 792872311 /nfs/dbraw/zinc/87/23/11/792872311.db2.gz LWHIWIXZNUXBEL-QWFCFKBJSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137010 792872316 /nfs/dbraw/zinc/87/23/16/792872316.db2.gz LWHIWIXZNUXBEL-QWFCFKBJSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408527 793389450 /nfs/dbraw/zinc/38/94/50/793389450.db2.gz VFLOWOLSOXRIAG-IAGOWNOFSA-N 2 1 337.508 2.033 20 30 EEEDMP N#Cc1cc(Br)ccc1-c1noc([C@H]([NH3+])CCC[NH3+])n1 ZINC001247503792 793456718 /nfs/dbraw/zinc/45/67/18/793456718.db2.gz PKXWIIUWPMVIIH-LLVKDONJSA-N 2 1 336.193 2.109 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@H]12 ZINC000992352393 793770727 /nfs/dbraw/zinc/77/07/27/793770727.db2.gz OYNHGTAAIBTUME-PKOBYXMFSA-N 2 1 337.427 2.180 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@H]12 ZINC000992352393 793770730 /nfs/dbraw/zinc/77/07/30/793770730.db2.gz OYNHGTAAIBTUME-PKOBYXMFSA-N 2 1 337.427 2.180 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036754946 794785289 /nfs/dbraw/zinc/78/52/89/794785289.db2.gz OGXCKMUQETZJQP-WMZOPIPTSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036754946 794785292 /nfs/dbraw/zinc/78/52/92/794785292.db2.gz OGXCKMUQETZJQP-WMZOPIPTSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036754946 794785294 /nfs/dbraw/zinc/78/52/94/794785294.db2.gz OGXCKMUQETZJQP-WMZOPIPTSA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036836347 795347524 /nfs/dbraw/zinc/34/75/24/795347524.db2.gz PJDVNVGGIFZKDI-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108022049 795617850 /nfs/dbraw/zinc/61/78/50/795617850.db2.gz CEORYNVPOQJHBW-IEBWSBKVSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCCC)C2)CC1 ZINC001036901963 796438529 /nfs/dbraw/zinc/43/85/29/796438529.db2.gz BLXLKPHQYMFQGW-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001081180058 796679693 /nfs/dbraw/zinc/67/96/93/796679693.db2.gz YCTARJWZQPIBIW-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175273327 798064273 /nfs/dbraw/zinc/06/42/73/798064273.db2.gz QUHBIOCHNMSZGY-WBVHZDCISA-N 2 1 330.476 2.042 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994490626 798083879 /nfs/dbraw/zinc/08/38/79/798083879.db2.gz WCZVMRWUMGUWSK-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)[C@@H]2C)CC1 ZINC000994494872 798094179 /nfs/dbraw/zinc/09/41/79/798094179.db2.gz FWDNIIRKHKWIGA-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406682 798424102 /nfs/dbraw/zinc/42/41/02/798424102.db2.gz QIOHMOCTWANOAM-IAGOWNOFSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406682 798424105 /nfs/dbraw/zinc/42/41/05/798424105.db2.gz QIOHMOCTWANOAM-IAGOWNOFSA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853327 798505716 /nfs/dbraw/zinc/50/57/16/798505716.db2.gz IHGBFSLOZWOQQS-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853327 798505718 /nfs/dbraw/zinc/50/57/18/798505718.db2.gz IHGBFSLOZWOQQS-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176986403 798675568 /nfs/dbraw/zinc/67/55/68/798675568.db2.gz NBYDTTDNUXGEKX-GOSISDBHSA-N 2 1 328.460 2.029 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001177316694 798854985 /nfs/dbraw/zinc/85/49/85/798854985.db2.gz FWJRRQXQSZHBDE-IBGZPJMESA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001178693024 799587418 /nfs/dbraw/zinc/58/74/18/799587418.db2.gz HSWIPMQBIXMXMG-SFHVURJKSA-N 2 1 337.508 2.082 20 30 EEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001179071107 799769249 /nfs/dbraw/zinc/76/92/49/799769249.db2.gz ADDKIEDRGHYYKE-FDYSRKEFSA-N 2 1 349.519 2.082 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001085334297 800375046 /nfs/dbraw/zinc/37/50/46/800375046.db2.gz DRVZTFHTCZGHFW-IAGOWNOFSA-N 2 1 346.475 2.477 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181728653 800882256 /nfs/dbraw/zinc/88/22/56/800882256.db2.gz PWVWJSKHMMZLCX-WSTZPKSXSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586359 801461105 /nfs/dbraw/zinc/46/11/05/801461105.db2.gz DYZOGRULPUTQCE-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586359 801461109 /nfs/dbraw/zinc/46/11/09/801461109.db2.gz DYZOGRULPUTQCE-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586359 801461115 /nfs/dbraw/zinc/46/11/15/801461115.db2.gz DYZOGRULPUTQCE-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001183353995 801563002 /nfs/dbraw/zinc/56/30/02/801563002.db2.gz KXVSCUBCARTNFL-CABCVRRESA-N 2 1 345.409 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001183353995 801563011 /nfs/dbraw/zinc/56/30/11/801563011.db2.gz KXVSCUBCARTNFL-CABCVRRESA-N 2 1 345.409 2.007 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946590388 801606396 /nfs/dbraw/zinc/60/63/96/801606396.db2.gz AQLKJSKNCVVDCR-CEXWTWQISA-N 2 1 331.504 2.075 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183517240 801623384 /nfs/dbraw/zinc/62/33/84/801623384.db2.gz WUPZFEABOYFRQU-SLYNCCJLSA-N 2 1 341.499 2.387 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001086119357 802215951 /nfs/dbraw/zinc/21/59/51/802215951.db2.gz KPGCEONHOMRXFX-XUWVNRHRSA-N 2 1 325.884 2.240 20 30 EEEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185234983 802436185 /nfs/dbraw/zinc/43/61/85/802436185.db2.gz KRXICHIZTXAYFB-DLBZAZTESA-N 2 1 330.476 2.104 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC)CC2)CC1 ZINC001004618931 802496250 /nfs/dbraw/zinc/49/62/50/802496250.db2.gz IEZBGIQWTYJQNG-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001108258777 802621752 /nfs/dbraw/zinc/62/17/52/802621752.db2.gz UZGUCPKFTBQUSD-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001108258777 802621757 /nfs/dbraw/zinc/62/17/57/802621757.db2.gz UZGUCPKFTBQUSD-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCO[C@@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001108354985 803359553 /nfs/dbraw/zinc/35/95/53/803359553.db2.gz SNZMIGWHOIZGHK-HKUYNNGSSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354985 803359560 /nfs/dbraw/zinc/35/95/60/803359560.db2.gz SNZMIGWHOIZGHK-HKUYNNGSSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354985 803359569 /nfs/dbraw/zinc/35/95/69/803359569.db2.gz SNZMIGWHOIZGHK-HKUYNNGSSA-N 2 1 339.524 2.280 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169807967 804083364 /nfs/dbraw/zinc/08/33/64/804083364.db2.gz AHDBIEKABCWBIR-VQIMIIECSA-N 2 1 342.487 2.417 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809142 804086618 /nfs/dbraw/zinc/08/66/18/804086618.db2.gz FSNQOWLIGJCDSP-YOEHRIQHSA-N 2 1 348.516 2.479 20 30 EEEDMP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809512 804086765 /nfs/dbraw/zinc/08/67/65/804086765.db2.gz IESOJBIYLLPPSW-QUCCMNQESA-N 2 1 341.499 2.397 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109308305 805265629 /nfs/dbraw/zinc/26/56/29/805265629.db2.gz TVCPYHQERMQRAU-NCOADZHNSA-N 2 1 328.460 2.141 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109308305 805265634 /nfs/dbraw/zinc/26/56/34/805265634.db2.gz TVCPYHQERMQRAU-NCOADZHNSA-N 2 1 328.460 2.141 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001170211894 809814948 /nfs/dbraw/zinc/81/49/48/809814948.db2.gz QKKXFOBVNKUGIM-UHFFFAOYSA-N 2 1 335.879 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@H](C)O2 ZINC001131701514 813133356 /nfs/dbraw/zinc/13/33/56/813133356.db2.gz WKMSKBUGPRIXIZ-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001436847818 1088488683 /nfs/dbraw/zinc/48/86/83/1088488683.db2.gz WTHHXANLZOINFM-OAHLLOKOSA-N 2 1 327.900 2.394 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001441205949 1094567907 /nfs/dbraw/zinc/56/79/07/1094567907.db2.gz LLWXIOLCNLTXAY-AWEZNQCLSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001441205949 1094567910 /nfs/dbraw/zinc/56/79/10/1094567910.db2.gz LLWXIOLCNLTXAY-AWEZNQCLSA-N 2 1 348.516 2.288 20 30 EEEDMP C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001441586487 1095407346 /nfs/dbraw/zinc/40/73/46/1095407346.db2.gz NIKOHPRMAFXNOD-KBPBESRZSA-N 2 1 346.313 2.063 20 30 EEEDMP C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001441586487 1095407351 /nfs/dbraw/zinc/40/73/51/1095407351.db2.gz NIKOHPRMAFXNOD-KBPBESRZSA-N 2 1 346.313 2.063 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001507416711 1115258743 /nfs/dbraw/zinc/25/87/43/1115258743.db2.gz QBVQOOXLYMUAOT-RBUKOAKNSA-N 2 1 342.487 2.275 20 30 EEEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000267252548 256042691 /nfs/dbraw/zinc/04/26/91/256042691.db2.gz IPRFOBYMAVIVHF-UHFFFAOYSA-N 2 1 325.412 2.398 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccccc1C#N ZINC000374424029 167039699 /nfs/dbraw/zinc/03/96/99/167039699.db2.gz YEAGQYRRVJNLFC-LMMKCTJWSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOc1ccccc1C#N ZINC000374424029 167039700 /nfs/dbraw/zinc/03/97/00/167039700.db2.gz YEAGQYRRVJNLFC-LMMKCTJWSA-N 2 1 329.444 2.121 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528390781 268301297 /nfs/dbraw/zinc/30/12/97/268301297.db2.gz PBDNPAASSITKJW-PKOBYXMFSA-N 2 1 343.471 2.106 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528390781 268301299 /nfs/dbraw/zinc/30/12/99/268301299.db2.gz PBDNPAASSITKJW-PKOBYXMFSA-N 2 1 343.471 2.106 20 30 EEEDMP Cn1cncc1[C@@H]1C[C@H](NC(=O)c2ccc3cncn3c2)CCO1 ZINC000329095984 465232181 /nfs/dbraw/zinc/23/21/81/465232181.db2.gz LACBWNVRMYYEON-CJNGLKHVSA-N 2 1 325.372 2.293 20 30 EEEDMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])N1CCOCC1 ZINC000095964069 463117926 /nfs/dbraw/zinc/11/79/26/463117926.db2.gz RQXGQZUHTQRONX-UHFFFAOYSA-N 2 1 342.443 2.059 20 30 EEEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])N1CCOCC1 ZINC000095964069 463117930 /nfs/dbraw/zinc/11/79/30/463117930.db2.gz RQXGQZUHTQRONX-UHFFFAOYSA-N 2 1 342.443 2.059 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000068444321 463138374 /nfs/dbraw/zinc/13/83/74/463138374.db2.gz VBKOHIFMSCCSFM-UHFFFAOYSA-N 2 1 325.456 2.064 20 30 EEEDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000162800151 463539103 /nfs/dbraw/zinc/53/91/03/463539103.db2.gz XYLRPKKMYXKSDF-CABCVRRESA-N 2 1 332.473 2.364 20 30 EEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000162800151 463539107 /nfs/dbraw/zinc/53/91/07/463539107.db2.gz XYLRPKKMYXKSDF-CABCVRRESA-N 2 1 332.473 2.364 20 30 EEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000162800151 463539114 /nfs/dbraw/zinc/53/91/14/463539114.db2.gz XYLRPKKMYXKSDF-CABCVRRESA-N 2 1 332.473 2.364 20 30 EEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000162800151 463539116 /nfs/dbraw/zinc/53/91/16/463539116.db2.gz XYLRPKKMYXKSDF-CABCVRRESA-N 2 1 332.473 2.364 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185764432 463874842 /nfs/dbraw/zinc/87/48/42/463874842.db2.gz CJUWRPNLQBTULH-IXDOHACOSA-N 2 1 334.508 2.237 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185764432 463874849 /nfs/dbraw/zinc/87/48/49/463874849.db2.gz CJUWRPNLQBTULH-IXDOHACOSA-N 2 1 334.508 2.237 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185764432 463874852 /nfs/dbraw/zinc/87/48/52/463874852.db2.gz CJUWRPNLQBTULH-IXDOHACOSA-N 2 1 334.508 2.237 20 30 EEEDMP CC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000264104486 464284040 /nfs/dbraw/zinc/28/40/40/464284040.db2.gz PCQLBSUCTFILPO-INIZCTEOSA-N 2 1 331.508 2.027 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000264135494 464287208 /nfs/dbraw/zinc/28/72/08/464287208.db2.gz ZPVWDGDQKPACAG-HUUCEWRRSA-N 2 1 348.491 2.229 20 30 EEEDMP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)([NH+](C)C)C1 ZINC000329964650 465489839 /nfs/dbraw/zinc/48/98/39/465489839.db2.gz TXFWJTJUXYZIMA-GJYPPUQNSA-N 2 1 347.507 2.460 20 30 EEEDMP CC#CCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000360443285 465567146 /nfs/dbraw/zinc/56/71/46/465567146.db2.gz FDLOWRAPCYWGKK-UHFFFAOYSA-N 2 1 341.499 2.360 20 30 EEEDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000566113443 468144309 /nfs/dbraw/zinc/14/43/09/468144309.db2.gz ZLFIQMSZARVLCZ-OALUTQOASA-N 2 1 345.487 2.060 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000566615046 468156143 /nfs/dbraw/zinc/15/61/43/468156143.db2.gz DYBITYYSQXOENB-KRWDZBQOSA-N 2 1 338.879 2.458 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654431581 471957131 /nfs/dbraw/zinc/95/71/31/471957131.db2.gz REEMBODPIBDICG-ROUUACIJSA-N 2 1 334.508 2.343 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000644669300 485499120 /nfs/dbraw/zinc/49/91/20/485499120.db2.gz VPNNRALZGZOKAK-MJGOQNOKSA-N 2 1 332.488 2.476 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000171907817 526434488 /nfs/dbraw/zinc/43/44/88/526434488.db2.gz WMLRDOCUVKFBEZ-KRWDZBQOSA-N 2 1 344.503 2.457 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004164 526536953 /nfs/dbraw/zinc/53/69/53/526536953.db2.gz PKQIIECNAAFTQD-IAGOWNOFSA-N 2 1 332.492 2.488 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004164 526536958 /nfs/dbraw/zinc/53/69/58/526536958.db2.gz PKQIIECNAAFTQD-IAGOWNOFSA-N 2 1 332.492 2.488 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620341 676274932 /nfs/dbraw/zinc/27/49/32/676274932.db2.gz RWJAVSJINQRECP-MAUKXSAKSA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620341 676274933 /nfs/dbraw/zinc/27/49/33/676274933.db2.gz RWJAVSJINQRECP-MAUKXSAKSA-N 2 1 346.475 2.239 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000891921005 677703290 /nfs/dbraw/zinc/70/32/90/677703290.db2.gz HEPRUKYEWGQPNG-PKOBYXMFSA-N 2 1 348.535 2.271 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972336284 678565088 /nfs/dbraw/zinc/56/50/88/678565088.db2.gz VSDKNOHKLQWNLR-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972336284 678565091 /nfs/dbraw/zinc/56/50/91/678565091.db2.gz VSDKNOHKLQWNLR-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972336284 678565093 /nfs/dbraw/zinc/56/50/93/678565093.db2.gz VSDKNOHKLQWNLR-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001023403119 679292083 /nfs/dbraw/zinc/29/20/83/679292083.db2.gz DEWWYFCEUAIRGR-HOTGVXAUSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001023403119 679292085 /nfs/dbraw/zinc/29/20/85/679292085.db2.gz DEWWYFCEUAIRGR-HOTGVXAUSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001023403119 679292089 /nfs/dbraw/zinc/29/20/89/679292089.db2.gz DEWWYFCEUAIRGR-HOTGVXAUSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023403119 679292091 /nfs/dbraw/zinc/29/20/91/679292091.db2.gz DEWWYFCEUAIRGR-HOTGVXAUSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023403119 679292093 /nfs/dbraw/zinc/29/20/93/679292093.db2.gz DEWWYFCEUAIRGR-HOTGVXAUSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023424132 679300750 /nfs/dbraw/zinc/30/07/50/679300750.db2.gz OWPZZJYERZLZAV-UXHICEINSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023424132 679300751 /nfs/dbraw/zinc/30/07/51/679300751.db2.gz OWPZZJYERZLZAV-UXHICEINSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023424132 679300753 /nfs/dbraw/zinc/30/07/53/679300753.db2.gz OWPZZJYERZLZAV-UXHICEINSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023424132 679300755 /nfs/dbraw/zinc/30/07/55/679300755.db2.gz OWPZZJYERZLZAV-UXHICEINSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947569201 679394812 /nfs/dbraw/zinc/39/48/12/679394812.db2.gz TVQNZIHIJHNCNW-PKOBYXMFSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000972636001 679472144 /nfs/dbraw/zinc/47/21/44/679472144.db2.gz WKBKPUUXBSYIGS-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982834349 681356996 /nfs/dbraw/zinc/35/69/96/681356996.db2.gz XJBDYIWLRLLEDP-NRSPTQNISA-N 2 1 339.483 2.093 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982834349 681356997 /nfs/dbraw/zinc/35/69/97/681356997.db2.gz XJBDYIWLRLLEDP-NRSPTQNISA-N 2 1 339.483 2.093 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001028603818 681361877 /nfs/dbraw/zinc/36/18/77/681361877.db2.gz IUQQYPXZZINXTP-PMACEKPBSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001028603818 681361882 /nfs/dbraw/zinc/36/18/82/681361882.db2.gz IUQQYPXZZINXTP-PMACEKPBSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028603818 681361887 /nfs/dbraw/zinc/36/18/87/681361887.db2.gz IUQQYPXZZINXTP-PMACEKPBSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028603818 681361891 /nfs/dbraw/zinc/36/18/91/681361891.db2.gz IUQQYPXZZINXTP-PMACEKPBSA-N 2 1 343.515 2.413 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709962 681947334 /nfs/dbraw/zinc/94/73/34/681947334.db2.gz GLJOXDMJIOQWNL-QGZVFWFLSA-N 2 1 329.488 2.419 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025288974 682397038 /nfs/dbraw/zinc/39/70/38/682397038.db2.gz NVTPCMDRJMUNLJ-MOPGFXCFSA-N 2 1 340.471 2.240 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025597494 683081005 /nfs/dbraw/zinc/08/10/05/683081005.db2.gz RAIMEWQOAOQZKO-GJZGRUSLSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3cnc[nH]3)C[C@@H]21 ZINC000992705929 683284097 /nfs/dbraw/zinc/28/40/97/683284097.db2.gz CWEAQFYONNEIBL-CWRNSKLLSA-N 2 1 336.867 2.312 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000983901969 683749441 /nfs/dbraw/zinc/74/94/41/683749441.db2.gz PTPOYCWTOLDYAB-FHWLQOOXSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000983901969 683749445 /nfs/dbraw/zinc/74/94/45/683749445.db2.gz PTPOYCWTOLDYAB-FHWLQOOXSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598249 685092396 /nfs/dbraw/zinc/09/23/96/685092396.db2.gz BEAFTZZGBREBBN-HKUYNNGSSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598249 685092400 /nfs/dbraw/zinc/09/24/00/685092400.db2.gz BEAFTZZGBREBBN-HKUYNNGSSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598249 685092406 /nfs/dbraw/zinc/09/24/06/685092406.db2.gz BEAFTZZGBREBBN-HKUYNNGSSA-N 2 1 345.531 2.491 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)cc2c1OCC2 ZINC000262402224 685781311 /nfs/dbraw/zinc/78/13/11/685781311.db2.gz VKMKCMOGRNGOGW-HNNXBMFYSA-N 2 1 336.867 2.164 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985327387 686328776 /nfs/dbraw/zinc/32/87/76/686328776.db2.gz GIYVAQTZMLRHDA-QGZVFWFLSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000985327387 686328786 /nfs/dbraw/zinc/32/87/86/686328786.db2.gz GIYVAQTZMLRHDA-QGZVFWFLSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000985327387 686328796 /nfs/dbraw/zinc/32/87/96/686328796.db2.gz GIYVAQTZMLRHDA-QGZVFWFLSA-N 2 1 346.500 2.137 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040358082 694028785 /nfs/dbraw/zinc/02/87/85/694028785.db2.gz VHPZJQQHWSESAD-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040358082 694028788 /nfs/dbraw/zinc/02/87/88/694028788.db2.gz VHPZJQQHWSESAD-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040358082 694028790 /nfs/dbraw/zinc/02/87/90/694028790.db2.gz VHPZJQQHWSESAD-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000979094345 694175220 /nfs/dbraw/zinc/17/52/20/694175220.db2.gz YPLPRIQBDFSSKZ-LDLYASANSA-N 2 1 327.472 2.232 20 30 EEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCC[C@H](SC)C1 ZINC000262750626 688340759 /nfs/dbraw/zinc/34/07/59/688340759.db2.gz BVCBGFPIWBIPQM-IJEWVQPXSA-N 2 1 344.594 2.263 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000977391024 692560515 /nfs/dbraw/zinc/56/05/15/692560515.db2.gz SFEMBCOWDCOMIQ-KRWDZBQOSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000977391024 692560516 /nfs/dbraw/zinc/56/05/16/692560516.db2.gz SFEMBCOWDCOMIQ-KRWDZBQOSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539611 1188160916 /nfs/dbraw/zinc/16/09/16/1188160916.db2.gz LJZHBJZMFAGCPF-GUDVDZBRSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105575009 1188189069 /nfs/dbraw/zinc/18/90/69/1188189069.db2.gz OVXYLSGBNFEMHW-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001168369540 1189581440 /nfs/dbraw/zinc/58/14/40/1189581440.db2.gz VUHJAXVTJJPNCC-UHFFFAOYSA-N 2 1 339.443 2.140 20 30 EEEDMP N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)C1=O ZINC001272674265 1191016705 /nfs/dbraw/zinc/01/67/05/1191016705.db2.gz WZJXWEMTYCGFBX-IBGZPJMESA-N 2 1 337.427 2.434 20 30 EEEDMP N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)C1=O ZINC001272674265 1191016708 /nfs/dbraw/zinc/01/67/08/1191016708.db2.gz WZJXWEMTYCGFBX-IBGZPJMESA-N 2 1 337.427 2.434 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485264215 1191710420 /nfs/dbraw/zinc/71/04/20/1191710420.db2.gz CVZAMFWVLZKNCU-GOSISDBHSA-N 2 1 342.487 2.084 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115428 1195757968 /nfs/dbraw/zinc/75/79/68/1195757968.db2.gz QBFGXKRZQHEQSN-IBGZPJMESA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034466668 1196246498 /nfs/dbraw/zinc/24/64/98/1196246498.db2.gz HVSBJKNECDNXFC-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034466668 1196246500 /nfs/dbraw/zinc/24/65/00/1196246500.db2.gz HVSBJKNECDNXFC-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001034644778 1196465990 /nfs/dbraw/zinc/46/59/90/1196465990.db2.gz NKYPIOKEUHDMMT-KZNAEPCWSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202227 1199446038 /nfs/dbraw/zinc/44/60/38/1199446038.db2.gz DYGGRLMYFDIXAI-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001132933582 1200210710 /nfs/dbraw/zinc/21/07/10/1200210710.db2.gz ROEVLSHHSMHOIF-HZPDHXFCSA-N 2 1 348.491 2.390 20 30 EEEDMP C#Cc1cccc(C[NH+]2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)c1 ZINC001276098121 1205779235 /nfs/dbraw/zinc/77/92/35/1205779235.db2.gz XYKFYDCGYZVYLY-UHFFFAOYSA-N 2 1 339.483 2.044 20 30 EEEDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1CC#N ZINC001276242168 1205850809 /nfs/dbraw/zinc/85/08/09/1205850809.db2.gz IELPRUFMTKMHDJ-IHWFROFDSA-N 2 1 343.471 2.458 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001111030454 1207596978 /nfs/dbraw/zinc/59/69/78/1207596978.db2.gz KWEJESLMANGTTG-AQNXPRMDSA-N 2 1 341.499 2.459 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001111030454 1207596981 /nfs/dbraw/zinc/59/69/81/1207596981.db2.gz KWEJESLMANGTTG-AQNXPRMDSA-N 2 1 341.499 2.459 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030454 1207596983 /nfs/dbraw/zinc/59/69/83/1207596983.db2.gz KWEJESLMANGTTG-AQNXPRMDSA-N 2 1 341.499 2.459 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030454 1207596986 /nfs/dbraw/zinc/59/69/86/1207596986.db2.gz KWEJESLMANGTTG-AQNXPRMDSA-N 2 1 341.499 2.459 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000959923724 1216233672 /nfs/dbraw/zinc/23/36/72/1216233672.db2.gz HFEQVAZPZFFQSW-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000960273779 1216464133 /nfs/dbraw/zinc/46/41/33/1216464133.db2.gz SYVPTZXBORCPPL-GUDVDZBRSA-N 2 1 327.472 2.419 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960487429 1216622103 /nfs/dbraw/zinc/62/21/03/1216622103.db2.gz NDOQRRWYEVTABJ-YOEHRIQHSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000960487429 1216622107 /nfs/dbraw/zinc/62/21/07/1216622107.db2.gz NDOQRRWYEVTABJ-YOEHRIQHSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000960487429 1216622109 /nfs/dbraw/zinc/62/21/09/1216622109.db2.gz NDOQRRWYEVTABJ-YOEHRIQHSA-N 2 1 346.500 2.137 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960487423 1216622130 /nfs/dbraw/zinc/62/21/30/1216622130.db2.gz NDOQRRWYEVTABJ-RHSMWYFYSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000960487423 1216622132 /nfs/dbraw/zinc/62/21/32/1216622132.db2.gz NDOQRRWYEVTABJ-RHSMWYFYSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000960487423 1216622137 /nfs/dbraw/zinc/62/21/37/1216622137.db2.gz NDOQRRWYEVTABJ-RHSMWYFYSA-N 2 1 346.500 2.137 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279508 1217125253 /nfs/dbraw/zinc/12/52/53/1217125253.db2.gz DXWAQAHESASNKV-ZWKOTPCHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279508 1217125256 /nfs/dbraw/zinc/12/52/56/1217125256.db2.gz DXWAQAHESASNKV-ZWKOTPCHSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961289577 1217130562 /nfs/dbraw/zinc/13/05/62/1217130562.db2.gz BWENKXABGRAQPC-MOPGFXCFSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000961367009 1217160454 /nfs/dbraw/zinc/16/04/54/1217160454.db2.gz KPXXAOQIIBKHFC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961367009 1217160456 /nfs/dbraw/zinc/16/04/56/1217160456.db2.gz KPXXAOQIIBKHFC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961367009 1217160458 /nfs/dbraw/zinc/16/04/58/1217160458.db2.gz KPXXAOQIIBKHFC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373056 1217162450 /nfs/dbraw/zinc/16/24/50/1217162450.db2.gz FWKLGQPOGHWDOD-OALUTQOASA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961411914 1217179919 /nfs/dbraw/zinc/17/99/19/1217179919.db2.gz QLUJPBRQDGSLHG-MOPGFXCFSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961434514 1217188868 /nfs/dbraw/zinc/18/88/68/1217188868.db2.gz GHJFMJVZLDTMKU-HXUWFJFHSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963352483 1217546996 /nfs/dbraw/zinc/54/69/96/1217546996.db2.gz NPNIPOHXTLLLRG-SJLPKXTDSA-N 2 1 343.471 2.291 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486195 1219786811 /nfs/dbraw/zinc/78/68/11/1219786811.db2.gz CMHDVXFDIJJUQZ-HOCLYGCPSA-N 2 1 333.501 2.273 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486195 1219786815 /nfs/dbraw/zinc/78/68/15/1219786815.db2.gz CMHDVXFDIJJUQZ-HOCLYGCPSA-N 2 1 333.501 2.273 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024127 1221748863 /nfs/dbraw/zinc/74/88/63/1221748863.db2.gz ZGPHUUUPWAXVDJ-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024127 1221748864 /nfs/dbraw/zinc/74/88/64/1221748864.db2.gz ZGPHUUUPWAXVDJ-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007894321 1222488598 /nfs/dbraw/zinc/48/85/98/1222488598.db2.gz HWYTYVSGUWPVKH-HNNXBMFYSA-N 2 1 325.416 2.038 20 30 EEEDMP CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001017838761 1227782940 /nfs/dbraw/zinc/78/29/40/1227782940.db2.gz BBDNWJIYEIENLV-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001018985392 1228607052 /nfs/dbraw/zinc/60/70/52/1228607052.db2.gz PYGGHXJKHRWUEQ-MNEFBYGVSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001018985392 1228607056 /nfs/dbraw/zinc/60/70/56/1228607056.db2.gz PYGGHXJKHRWUEQ-MNEFBYGVSA-N 2 1 343.446 2.175 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001019820335 1229363520 /nfs/dbraw/zinc/36/35/20/1229363520.db2.gz GQQLRBOFXUBTLY-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001020250999 1229583412 /nfs/dbraw/zinc/58/34/12/1229583412.db2.gz ZPKWHGMXLTXLQJ-MLYOOKFZSA-N 2 1 339.483 2.390 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001020250999 1229583414 /nfs/dbraw/zinc/58/34/14/1229583414.db2.gz ZPKWHGMXLTXLQJ-MLYOOKFZSA-N 2 1 339.483 2.390 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038866667 1230120954 /nfs/dbraw/zinc/12/09/54/1230120954.db2.gz NKJXOOCUDHZWKS-KRWDZBQOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038866667 1230120955 /nfs/dbraw/zinc/12/09/55/1230120955.db2.gz NKJXOOCUDHZWKS-KRWDZBQOSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039141022 1230356910 /nfs/dbraw/zinc/35/69/10/1230356910.db2.gz NFKSZJNTCMOBRZ-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141022 1230356914 /nfs/dbraw/zinc/35/69/14/1230356914.db2.gz NFKSZJNTCMOBRZ-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141022 1230356916 /nfs/dbraw/zinc/35/69/16/1230356916.db2.gz NFKSZJNTCMOBRZ-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039398074 1230581293 /nfs/dbraw/zinc/58/12/93/1230581293.db2.gz KJWTWYGLJLFSDV-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039398074 1230581296 /nfs/dbraw/zinc/58/12/96/1230581296.db2.gz KJWTWYGLJLFSDV-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039398074 1230581300 /nfs/dbraw/zinc/58/13/00/1230581300.db2.gz KJWTWYGLJLFSDV-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001039398074 1230581304 /nfs/dbraw/zinc/58/13/04/1230581304.db2.gz KJWTWYGLJLFSDV-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001040396534 1231207274 /nfs/dbraw/zinc/20/72/74/1231207274.db2.gz VFFFMICXFRPNLT-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001040396534 1231207277 /nfs/dbraw/zinc/20/72/77/1231207277.db2.gz VFFFMICXFRPNLT-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC=C)C3)CC1 ZINC001040541578 1231283460 /nfs/dbraw/zinc/28/34/60/1231283460.db2.gz BRWCAOIJDJCEAW-OAQYLSRUSA-N 2 1 343.515 2.222 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC(=C)Cl)[C@@H]3C2)CC1 ZINC001042367073 1232049239 /nfs/dbraw/zinc/04/92/39/1232049239.db2.gz AGHDXTAASJPNOT-SJLPKXTDSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC(=C)Cl)[C@@H]3C2)CC1 ZINC001042367073 1232049241 /nfs/dbraw/zinc/04/92/41/1232049241.db2.gz AGHDXTAASJPNOT-SJLPKXTDSA-N 2 1 349.906 2.007 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046471456 1234840506 /nfs/dbraw/zinc/84/05/06/1234840506.db2.gz ZHAMTIKVYYPIAB-GOSISDBHSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001046849542 1235247320 /nfs/dbraw/zinc/24/73/20/1235247320.db2.gz GQYIUSLGXDATAN-OAQYLSRUSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574235 1237998128 /nfs/dbraw/zinc/99/81/28/1237998128.db2.gz STMPAQSDNFGQRX-UHZRXMQZSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048574235 1237998132 /nfs/dbraw/zinc/99/81/32/1237998132.db2.gz STMPAQSDNFGQRX-UHZRXMQZSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048574235 1237998136 /nfs/dbraw/zinc/99/81/36/1237998136.db2.gz STMPAQSDNFGQRX-UHZRXMQZSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=C)C)CC1 ZINC001048590342 1238042121 /nfs/dbraw/zinc/04/21/21/1238042121.db2.gz NFDKOISXFJPUOC-FNLKRUPLSA-N 2 1 343.515 2.267 20 30 EEEDMP C=C(Cl)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCN1C ZINC001049558559 1241412114 /nfs/dbraw/zinc/41/21/14/1241412114.db2.gz PDWMXCNEAOFVMD-OAGGEKHMSA-N 2 1 325.884 2.289 20 30 EEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001093190 1241628656 /nfs/dbraw/zinc/62/86/56/1241628656.db2.gz IWODXOVGPHNWIZ-QGZVFWFLSA-N 2 1 328.460 2.078 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001093190 1241628663 /nfs/dbraw/zinc/62/86/63/1241628663.db2.gz IWODXOVGPHNWIZ-QGZVFWFLSA-N 2 1 328.460 2.078 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001049673786 1241841977 /nfs/dbraw/zinc/84/19/77/1241841977.db2.gz ZOBIZPMYFPPRNZ-BPQIPLTHSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001049673786 1241841987 /nfs/dbraw/zinc/84/19/87/1241841987.db2.gz ZOBIZPMYFPPRNZ-BPQIPLTHSA-N 2 1 328.460 2.005 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049826901 1242327263 /nfs/dbraw/zinc/32/72/63/1242327263.db2.gz IYSGDYGIUVKUIQ-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050181954 1243063039 /nfs/dbraw/zinc/06/30/39/1243063039.db2.gz MKVSRXPKXCAUTH-HRCADAONSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050181954 1243063047 /nfs/dbraw/zinc/06/30/47/1243063047.db2.gz MKVSRXPKXCAUTH-HRCADAONSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050181954 1243063058 /nfs/dbraw/zinc/06/30/58/1243063058.db2.gz MKVSRXPKXCAUTH-HRCADAONSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050181954 1243063068 /nfs/dbraw/zinc/06/30/68/1243063068.db2.gz MKVSRXPKXCAUTH-HRCADAONSA-N 2 1 325.884 2.004 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050542582 1243813360 /nfs/dbraw/zinc/81/33/60/1243813360.db2.gz HWNRSDHUNNLBDN-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001050544754 1243817611 /nfs/dbraw/zinc/81/76/11/1243817611.db2.gz VVPAQUNNBYCGAU-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)cccc2C1 ZINC001051289243 1245482322 /nfs/dbraw/zinc/48/23/22/1245482322.db2.gz GNHCMJIHADUDAJ-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3CCC)cccc2C1 ZINC001051289243 1245482326 /nfs/dbraw/zinc/48/23/26/1245482326.db2.gz GNHCMJIHADUDAJ-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3CCC)cccc2C1 ZINC001051289243 1245482329 /nfs/dbraw/zinc/48/23/29/1245482329.db2.gz GNHCMJIHADUDAJ-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051454 1245775663 /nfs/dbraw/zinc/77/56/63/1245775663.db2.gz OUDCJKGYWDREKB-QZTJIDSGSA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101486988 1245890578 /nfs/dbraw/zinc/89/05/78/1245890578.db2.gz ISLPTIHSVJJYLQ-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487298 1245892109 /nfs/dbraw/zinc/89/21/09/1245892109.db2.gz WWGDLTQIVHWBRC-CTNGQTDRSA-N 2 1 341.499 2.475 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487298 1245892114 /nfs/dbraw/zinc/89/21/14/1245892114.db2.gz WWGDLTQIVHWBRC-CTNGQTDRSA-N 2 1 341.499 2.475 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487298 1245892121 /nfs/dbraw/zinc/89/21/21/1245892121.db2.gz WWGDLTQIVHWBRC-CTNGQTDRSA-N 2 1 341.499 2.475 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487298 1245892126 /nfs/dbraw/zinc/89/21/26/1245892126.db2.gz WWGDLTQIVHWBRC-CTNGQTDRSA-N 2 1 341.499 2.475 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380966 1247160638 /nfs/dbraw/zinc/16/06/38/1247160638.db2.gz GUYVRUSWUCPUDE-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052380966 1247160642 /nfs/dbraw/zinc/16/06/42/1247160642.db2.gz GUYVRUSWUCPUDE-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052380966 1247160646 /nfs/dbraw/zinc/16/06/46/1247160646.db2.gz GUYVRUSWUCPUDE-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052385001 1247167722 /nfs/dbraw/zinc/16/77/22/1247167722.db2.gz FODQLUZYVZDHHK-JKSUJKDBSA-N 2 1 325.884 2.051 20 30 EEEDMP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001054061146 1247275255 /nfs/dbraw/zinc/27/52/55/1247275255.db2.gz VOFFBDOEWHKUCK-OALUTQOASA-N 2 1 327.472 2.057 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054061146 1247275263 /nfs/dbraw/zinc/27/52/63/1247275263.db2.gz VOFFBDOEWHKUCK-OALUTQOASA-N 2 1 327.472 2.057 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054061146 1247275269 /nfs/dbraw/zinc/27/52/69/1247275269.db2.gz VOFFBDOEWHKUCK-OALUTQOASA-N 2 1 327.472 2.057 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184300 1247644869 /nfs/dbraw/zinc/64/48/69/1247644869.db2.gz CIPASMCBPGWOJQ-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054184300 1247644875 /nfs/dbraw/zinc/64/48/75/1247644875.db2.gz CIPASMCBPGWOJQ-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054184300 1247644884 /nfs/dbraw/zinc/64/48/84/1247644884.db2.gz CIPASMCBPGWOJQ-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205081 1247710678 /nfs/dbraw/zinc/71/06/78/1247710678.db2.gz KGVOELGZEMEWSI-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205081 1247710687 /nfs/dbraw/zinc/71/06/87/1247710687.db2.gz KGVOELGZEMEWSI-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209764 1247725316 /nfs/dbraw/zinc/72/53/16/1247725316.db2.gz XFDZJPTVJSTJPL-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072109149 1254935045 /nfs/dbraw/zinc/93/50/45/1254935045.db2.gz CDICUZWQNHMYKB-HZPDHXFCSA-N 2 1 331.460 2.337 20 30 EEEDMP C#CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072109149 1254935053 /nfs/dbraw/zinc/93/50/53/1254935053.db2.gz CDICUZWQNHMYKB-HZPDHXFCSA-N 2 1 331.460 2.337 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405706 1279881845 /nfs/dbraw/zinc/88/18/45/1279881845.db2.gz NYJOYFAIPCDJMO-FUHWJXTLSA-N 2 1 328.460 2.017 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC/C=C/CCC)C1 ZINC001190721478 1281032600 /nfs/dbraw/zinc/03/26/00/1281032600.db2.gz CHDLQCORCZPLPO-PXEQJPNCSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC/C=C/CCC)C1 ZINC001190721478 1281032607 /nfs/dbraw/zinc/03/26/07/1281032607.db2.gz CHDLQCORCZPLPO-PXEQJPNCSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC/C=C/CCC)C1 ZINC001190721478 1281032613 /nfs/dbraw/zinc/03/26/13/1281032613.db2.gz CHDLQCORCZPLPO-PXEQJPNCSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC/C=C/CCC)C1 ZINC001190721478 1281032619 /nfs/dbraw/zinc/03/26/19/1281032619.db2.gz CHDLQCORCZPLPO-PXEQJPNCSA-N 2 1 331.504 2.363 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001192006773 1281760043 /nfs/dbraw/zinc/76/00/43/1281760043.db2.gz IWFPQQLAKGOZBL-IBGZPJMESA-N 2 1 345.462 2.052 20 30 EEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424265 1282501409 /nfs/dbraw/zinc/50/14/09/1282501409.db2.gz KJESMQUPAJDWPD-OALUTQOASA-N 2 1 327.472 2.235 20 30 EEEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424265 1282501413 /nfs/dbraw/zinc/50/14/13/1282501413.db2.gz KJESMQUPAJDWPD-OALUTQOASA-N 2 1 327.472 2.235 20 30 EEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424265 1282501421 /nfs/dbraw/zinc/50/14/21/1282501421.db2.gz KJESMQUPAJDWPD-OALUTQOASA-N 2 1 327.472 2.235 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001194284685 1282978854 /nfs/dbraw/zinc/97/88/54/1282978854.db2.gz LNFTZEKDMJMHKD-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001194284685 1282978855 /nfs/dbraw/zinc/97/88/55/1282978855.db2.gz LNFTZEKDMJMHKD-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001194284685 1282978857 /nfs/dbraw/zinc/97/88/57/1282978857.db2.gz LNFTZEKDMJMHKD-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198617382 1285246161 /nfs/dbraw/zinc/24/61/61/1285246161.db2.gz OMRMXLIMBTZJBB-DLBZAZTESA-N 2 1 331.460 2.112 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001071176742 1286906839 /nfs/dbraw/zinc/90/68/39/1286906839.db2.gz ZXHBCTBQIZKZRI-FXAWDEMLSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@H](C)O2 ZINC001071176742 1286906843 /nfs/dbraw/zinc/90/68/43/1286906843.db2.gz ZXHBCTBQIZKZRI-FXAWDEMLSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@H](C)O2 ZINC001071176742 1286906852 /nfs/dbraw/zinc/90/68/52/1286906852.db2.gz ZXHBCTBQIZKZRI-FXAWDEMLSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095520 1295237708 /nfs/dbraw/zinc/23/77/08/1295237708.db2.gz JRSQQAPSRYWUQH-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213502777 1296058780 /nfs/dbraw/zinc/05/87/80/1296058780.db2.gz WSFOLONFMRXMGC-GVDBMIGSSA-N 2 1 348.491 2.177 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213502777 1296058787 /nfs/dbraw/zinc/05/87/87/1296058787.db2.gz WSFOLONFMRXMGC-GVDBMIGSSA-N 2 1 348.491 2.177 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1=CCCCC1)C2 ZINC001072822701 1296184618 /nfs/dbraw/zinc/18/46/18/1296184618.db2.gz UDNRIEOHUUJJGR-IBGZPJMESA-N 2 1 341.499 2.119 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1=CCCCC1)C2 ZINC001072822701 1296184619 /nfs/dbraw/zinc/18/46/19/1296184619.db2.gz UDNRIEOHUUJJGR-IBGZPJMESA-N 2 1 341.499 2.119 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC1=CCCCC1)C2 ZINC001072822701 1296184621 /nfs/dbraw/zinc/18/46/21/1296184621.db2.gz UDNRIEOHUUJJGR-IBGZPJMESA-N 2 1 341.499 2.119 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC1=CCCCC1)C2 ZINC001072822701 1296184622 /nfs/dbraw/zinc/18/46/22/1296184622.db2.gz UDNRIEOHUUJJGR-IBGZPJMESA-N 2 1 341.499 2.119 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001072882702 1296267819 /nfs/dbraw/zinc/26/78/19/1296267819.db2.gz LJZBILCMQUDEQA-UHFFFAOYSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882702 1296267828 /nfs/dbraw/zinc/26/78/28/1296267828.db2.gz LJZBILCMQUDEQA-UHFFFAOYSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882702 1296267837 /nfs/dbraw/zinc/26/78/37/1296267837.db2.gz LJZBILCMQUDEQA-UHFFFAOYSA-N 2 1 331.504 2.197 20 30 EEEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000402216864 1296926796 /nfs/dbraw/zinc/92/67/96/1296926796.db2.gz OXFLBCCPVFANIR-IBGZPJMESA-N 2 1 339.439 2.149 20 30 EEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001073478163 1297117812 /nfs/dbraw/zinc/11/78/12/1297117812.db2.gz BUXPADVQTWECTJ-UHFFFAOYSA-N 2 1 331.460 2.455 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001221626018 1298965867 /nfs/dbraw/zinc/96/58/67/1298965867.db2.gz MANXTNGKBKSIHS-CEXWTWQISA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001221626018 1298965871 /nfs/dbraw/zinc/96/58/71/1298965871.db2.gz MANXTNGKBKSIHS-CEXWTWQISA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001221626018 1298965876 /nfs/dbraw/zinc/96/58/76/1298965876.db2.gz MANXTNGKBKSIHS-CEXWTWQISA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001221626018 1298965877 /nfs/dbraw/zinc/96/58/77/1298965877.db2.gz MANXTNGKBKSIHS-CEXWTWQISA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099521397 1299180753 /nfs/dbraw/zinc/18/07/53/1299180753.db2.gz QOPICIZKUZQPPB-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001276859142 1299963255 /nfs/dbraw/zinc/96/32/55/1299963255.db2.gz YIQSEPRBXGWYAB-UHFFFAOYSA-N 2 1 326.488 2.326 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102496282 1301146878 /nfs/dbraw/zinc/14/68/78/1301146878.db2.gz NYVBEVFYULCYGZ-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102496282 1301146887 /nfs/dbraw/zinc/14/68/87/1301146887.db2.gz NYVBEVFYULCYGZ-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102496282 1301146896 /nfs/dbraw/zinc/14/68/96/1301146896.db2.gz NYVBEVFYULCYGZ-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001226332759 1301361838 /nfs/dbraw/zinc/36/18/38/1301361838.db2.gz AGCWJQUSJYHZRC-BRWVUGGUSA-N 2 1 330.476 2.437 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001226775683 1301549913 /nfs/dbraw/zinc/54/99/13/1301549913.db2.gz WVYAXHHQLNZIJX-QRVBRYPASA-N 2 1 349.519 2.223 20 30 EEEDMP CCc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277239656 1301961700 /nfs/dbraw/zinc/96/17/00/1301961700.db2.gz UPUNMJBWSMWAQE-BGYRXZFFSA-N 2 1 326.488 2.331 20 30 EEEDMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC001227832055 1301981057 /nfs/dbraw/zinc/98/10/57/1301981057.db2.gz BBNGESDDLPSKPG-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001228864781 1302491821 /nfs/dbraw/zinc/49/18/21/1302491821.db2.gz QLLHMKFLYXQIMX-MRXNPFEDSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001229653261 1302906966 /nfs/dbraw/zinc/90/69/66/1302906966.db2.gz WYMYZMYRXABIPU-GUDVDZBRSA-N 2 1 327.472 2.330 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001103732529 1303273253 /nfs/dbraw/zinc/27/32/53/1303273253.db2.gz FOCZJWGYVSXHPT-RTBURBONSA-N 2 1 333.520 2.350 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230783517 1303454760 /nfs/dbraw/zinc/45/47/60/1303454760.db2.gz LOPRIEMSSNCKQK-GOSISDBHSA-N 2 1 332.492 2.306 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001111875883 1304039290 /nfs/dbraw/zinc/03/92/90/1304039290.db2.gz JFANGWALUKBJPF-HBFSDRIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC001120213309 1309387372 /nfs/dbraw/zinc/38/73/72/1309387372.db2.gz INQBCUWAFUZBGC-SFHVURJKSA-N 2 1 327.472 2.331 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226861 1317511672 /nfs/dbraw/zinc/51/16/72/1317511672.db2.gz PKMVAPSEIBNMAH-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226861 1317511677 /nfs/dbraw/zinc/51/16/77/1317511677.db2.gz PKMVAPSEIBNMAH-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226861 1317511680 /nfs/dbraw/zinc/51/16/80/1317511680.db2.gz PKMVAPSEIBNMAH-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP C=CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001252495150 1317617117 /nfs/dbraw/zinc/61/71/17/1317617117.db2.gz KJNHLFWTXRHREB-MOPGFXCFSA-N 2 1 332.488 2.440 20 30 EEEDMP C=CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001252495150 1317617123 /nfs/dbraw/zinc/61/71/23/1317617123.db2.gz KJNHLFWTXRHREB-MOPGFXCFSA-N 2 1 332.488 2.440 20 30 EEEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001254664638 1318161338 /nfs/dbraw/zinc/16/13/38/1318161338.db2.gz IXDYVLLFWFJNEI-SJORKVTESA-N 2 1 327.476 2.419 20 30 EEEDMP N#C[C@H]1CC[C@@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001254664628 1318161724 /nfs/dbraw/zinc/16/17/24/1318161724.db2.gz IXDYVLLFWFJNEI-DLBZAZTESA-N 2 1 327.476 2.419 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001157886161 1318916939 /nfs/dbraw/zinc/91/69/39/1318916939.db2.gz ASCDWGCGSPFMSY-SFHVURJKSA-N 2 1 346.450 2.166 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158060175 1318989038 /nfs/dbraw/zinc/98/90/38/1318989038.db2.gz HWLSCCWHGFVWHD-IAGOWNOFSA-N 2 1 328.460 2.097 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158060175 1318989042 /nfs/dbraw/zinc/98/90/42/1318989042.db2.gz HWLSCCWHGFVWHD-IAGOWNOFSA-N 2 1 328.460 2.097 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160474015 1320172080 /nfs/dbraw/zinc/17/20/80/1320172080.db2.gz WPEWJITXDLDMER-RBUKOAKNSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001160474015 1320172082 /nfs/dbraw/zinc/17/20/82/1320172082.db2.gz WPEWJITXDLDMER-RBUKOAKNSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001160474015 1320172084 /nfs/dbraw/zinc/17/20/84/1320172084.db2.gz WPEWJITXDLDMER-RBUKOAKNSA-N 2 1 329.488 2.165 20 30 EEEDMP CCCc1cc(C#N)c(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nc1Cl ZINC001160512651 1320180255 /nfs/dbraw/zinc/18/02/55/1320180255.db2.gz CVSHENPKCIQACH-KRWDZBQOSA-N 2 1 333.867 2.394 20 30 EEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001160559092 1320197094 /nfs/dbraw/zinc/19/70/94/1320197094.db2.gz CNBNJRNMCWDSIK-UHFFFAOYSA-N 2 1 346.475 2.454 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001160559092 1320197096 /nfs/dbraw/zinc/19/70/96/1320197096.db2.gz CNBNJRNMCWDSIK-UHFFFAOYSA-N 2 1 346.475 2.454 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161020574 1320356983 /nfs/dbraw/zinc/35/69/83/1320356983.db2.gz FUABMGAVDYWYDQ-UHFFFAOYSA-N 2 1 325.884 2.219 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161020574 1320356988 /nfs/dbraw/zinc/35/69/88/1320356988.db2.gz FUABMGAVDYWYDQ-UHFFFAOYSA-N 2 1 325.884 2.219 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161390396 1320485396 /nfs/dbraw/zinc/48/53/96/1320485396.db2.gz FIDOMEMZEOTFEM-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390396 1320485399 /nfs/dbraw/zinc/48/53/99/1320485399.db2.gz FIDOMEMZEOTFEM-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390396 1320485401 /nfs/dbraw/zinc/48/54/01/1320485401.db2.gz FIDOMEMZEOTFEM-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161894105 1320665965 /nfs/dbraw/zinc/66/59/65/1320665965.db2.gz WMSRTNCDDKNMCA-UHFFFAOYSA-N 2 1 331.504 2.414 20 30 EEEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206547996 1323529743 /nfs/dbraw/zinc/52/97/43/1323529743.db2.gz MIKXEEMQEWDUHY-OALUTQOASA-N 2 1 349.519 2.034 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001206953644 1323739985 /nfs/dbraw/zinc/73/99/85/1323739985.db2.gz WYZYFHFKQPYFNX-UHFFFAOYSA-N 2 1 348.516 2.288 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331274 1324430998 /nfs/dbraw/zinc/43/09/98/1324430998.db2.gz PBNKEYJGQLUTLO-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP Cn1cc(CN2CC[C@@H]3C[N@@H+](CCc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001208922201 1324720056 /nfs/dbraw/zinc/72/00/56/1324720056.db2.gz DGHPFGSRGLGDDJ-RTWAWAEBSA-N 2 1 349.482 2.288 20 30 EEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001209652309 1325000693 /nfs/dbraw/zinc/00/06/93/1325000693.db2.gz ZLJUYDGTVDZNGL-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210146259 1325177124 /nfs/dbraw/zinc/17/71/24/1325177124.db2.gz OJYAUUIXUNYWIP-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP CC(C)(C)c1noc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1C#N ZINC001210263050 1325219132 /nfs/dbraw/zinc/21/91/32/1325219132.db2.gz YNKTVALDMLOQMA-UHFFFAOYSA-N 2 1 326.404 2.392 20 30 EEEDMP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC001374539969 1376918098 /nfs/dbraw/zinc/91/80/98/1376918098.db2.gz QZLWMIMKFJZZPY-UHFFFAOYSA-N 2 1 342.487 2.180 20 30 EEEDMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1cccc(C#N)c1 ZINC001377496212 1379298614 /nfs/dbraw/zinc/29/86/14/1379298614.db2.gz JZIGAUIOICCHFH-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1cccc(C#N)c1 ZINC001377496212 1379298635 /nfs/dbraw/zinc/29/86/35/1379298635.db2.gz JZIGAUIOICCHFH-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1cccc(C#N)c1 ZINC001377496212 1379298644 /nfs/dbraw/zinc/29/86/44/1379298644.db2.gz JZIGAUIOICCHFH-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001381194057 1381552949 /nfs/dbraw/zinc/55/29/49/1381552949.db2.gz SVCYLZYPZJWTSO-HNNXBMFYSA-N 2 1 328.460 2.027 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001391860176 1389665664 /nfs/dbraw/zinc/66/56/64/1389665664.db2.gz BONGGLITCPCPJA-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC001752783109 1406398955 /nfs/dbraw/zinc/39/89/55/1406398955.db2.gz FOPKYUOUZXUGOA-MSOLQXFVSA-N 2 1 337.483 2.052 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCCCF)C1 ZINC001752783109 1406398965 /nfs/dbraw/zinc/39/89/65/1406398965.db2.gz FOPKYUOUZXUGOA-MSOLQXFVSA-N 2 1 337.483 2.052 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCCCF)C1 ZINC001752783109 1406398976 /nfs/dbraw/zinc/39/89/76/1406398976.db2.gz FOPKYUOUZXUGOA-MSOLQXFVSA-N 2 1 337.483 2.052 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCCCF)C1 ZINC001752783109 1406398987 /nfs/dbraw/zinc/39/89/87/1406398987.db2.gz FOPKYUOUZXUGOA-MSOLQXFVSA-N 2 1 337.483 2.052 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001423364162 1400546619 /nfs/dbraw/zinc/54/66/19/1400546619.db2.gz MCNAQPJLBFFRAU-MRXNPFEDSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001423364162 1400546625 /nfs/dbraw/zinc/54/66/25/1400546625.db2.gz MCNAQPJLBFFRAU-MRXNPFEDSA-N 2 1 325.884 2.005 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001423572944 1400646203 /nfs/dbraw/zinc/64/62/03/1400646203.db2.gz KILHVAXGDBXYKI-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001423572944 1400646212 /nfs/dbraw/zinc/64/62/12/1400646212.db2.gz KILHVAXGDBXYKI-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001755218930 1407231436 /nfs/dbraw/zinc/23/14/36/1407231436.db2.gz WKZGIDXRVWYAJF-CGZBRXJRSA-N 2 1 330.476 2.205 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001755705451 1407757334 /nfs/dbraw/zinc/75/73/34/1407757334.db2.gz YXEJGFVGALVGEX-AZUAARDMSA-N 2 1 349.519 2.177 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001100676982 1410694333 /nfs/dbraw/zinc/69/43/33/1410694333.db2.gz VLPGSHCMCNUHKN-LYGPFTKASA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112123520 1410876322 /nfs/dbraw/zinc/87/63/22/1410876322.db2.gz NIHOEVQVSGLZJJ-CHWSQXEVSA-N 2 1 335.414 2.272 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104291323 758129787 /nfs/dbraw/zinc/12/97/87/758129787.db2.gz MGYHTZOLHLAZHB-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001075454043 760708533 /nfs/dbraw/zinc/70/85/33/760708533.db2.gz JWYOKMQLFAWZNN-AZUAARDMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075454043 760708538 /nfs/dbraw/zinc/70/85/38/760708538.db2.gz JWYOKMQLFAWZNN-AZUAARDMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075454043 760708553 /nfs/dbraw/zinc/70/85/53/760708553.db2.gz JWYOKMQLFAWZNN-AZUAARDMSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211623485 761180945 /nfs/dbraw/zinc/18/09/45/761180945.db2.gz HRMKVGAVGONMMV-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087994063 782732339 /nfs/dbraw/zinc/73/23/39/782732339.db2.gz POKWXSLGUOWNKR-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087994063 782732346 /nfs/dbraw/zinc/73/23/46/782732346.db2.gz POKWXSLGUOWNKR-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087994063 782732352 /nfs/dbraw/zinc/73/23/52/782732352.db2.gz POKWXSLGUOWNKR-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001131696861 783093296 /nfs/dbraw/zinc/09/32/96/783093296.db2.gz BZSWMGQYXLWTHG-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664273 774081060 /nfs/dbraw/zinc/08/10/60/774081060.db2.gz HFUKGTSBRBRWSK-QGZVFWFLSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664273 774081061 /nfs/dbraw/zinc/08/10/61/774081061.db2.gz HFUKGTSBRBRWSK-QGZVFWFLSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981809535 778253669 /nfs/dbraw/zinc/25/36/69/778253669.db2.gz LSQLLJXJJUEUPO-LJQANCHMSA-N 2 1 331.504 2.341 20 30 EEEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981809535 778253677 /nfs/dbraw/zinc/25/36/77/778253677.db2.gz LSQLLJXJJUEUPO-LJQANCHMSA-N 2 1 331.504 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981809535 778253684 /nfs/dbraw/zinc/25/36/84/778253684.db2.gz LSQLLJXJJUEUPO-LJQANCHMSA-N 2 1 331.504 2.341 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC000981818865 778261143 /nfs/dbraw/zinc/26/11/43/778261143.db2.gz GITZDOUGOYAVIJ-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCC(C)C)C2 ZINC000981818865 778261146 /nfs/dbraw/zinc/26/11/46/778261146.db2.gz GITZDOUGOYAVIJ-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCC(C)C)C2 ZINC000981818865 778261151 /nfs/dbraw/zinc/26/11/51/778261151.db2.gz GITZDOUGOYAVIJ-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCC(C)C)C2 ZINC000981818865 778261158 /nfs/dbraw/zinc/26/11/58/778261158.db2.gz GITZDOUGOYAVIJ-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC000981894154 778477874 /nfs/dbraw/zinc/47/78/74/778477874.db2.gz BPECFYFRLIHILK-UHFFFAOYSA-N 2 1 342.487 2.262 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC000981894154 778477878 /nfs/dbraw/zinc/47/78/78/778477878.db2.gz BPECFYFRLIHILK-UHFFFAOYSA-N 2 1 342.487 2.262 20 30 EEEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001127685318 778831991 /nfs/dbraw/zinc/83/19/91/778831991.db2.gz MXDIDXKFHAJCQG-QGZVFWFLSA-N 2 1 338.455 2.154 20 30 EEEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087443367 780288604 /nfs/dbraw/zinc/28/86/04/780288604.db2.gz JCJBAOWCOGNZOX-GUDVDZBRSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087443367 780288610 /nfs/dbraw/zinc/28/86/10/780288610.db2.gz JCJBAOWCOGNZOX-GUDVDZBRSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087443367 780288615 /nfs/dbraw/zinc/28/86/15/780288615.db2.gz JCJBAOWCOGNZOX-GUDVDZBRSA-N 2 1 327.472 2.098 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001028334001 780785604 /nfs/dbraw/zinc/78/56/04/780785604.db2.gz UVVAOOLQUYKHHX-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035203957 784052019 /nfs/dbraw/zinc/05/20/19/784052019.db2.gz UGWNZAYSPFNCKB-UHFFFAOYSA-N 2 1 336.439 2.286 20 30 EEEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035233437 784146107 /nfs/dbraw/zinc/14/61/07/784146107.db2.gz KXODWHVQLOBUOA-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035233437 784146109 /nfs/dbraw/zinc/14/61/09/784146109.db2.gz KXODWHVQLOBUOA-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001105698211 785144663 /nfs/dbraw/zinc/14/46/63/785144663.db2.gz GPSJORWDTXJIRS-APWZRJJASA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001036239580 786077002 /nfs/dbraw/zinc/07/70/02/786077002.db2.gz LYBBIKPUTHMOKZ-QAPCUYQASA-N 2 1 339.443 2.284 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560489 805671230 /nfs/dbraw/zinc/67/12/30/805671230.db2.gz CFAHWLRYFGDXAA-SQNIBIBYSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495562 787416028 /nfs/dbraw/zinc/41/60/28/787416028.db2.gz QWPAPERDHDBRNL-YLJYHZDGSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001006029804 789300647 /nfs/dbraw/zinc/30/06/47/789300647.db2.gz WNNPYXSOIQCBMU-UXHICEINSA-N 2 1 341.499 2.441 20 30 EEEDMP N#Cc1ccc(N2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)CC2)nc1 ZINC001168393170 789500018 /nfs/dbraw/zinc/50/00/18/789500018.db2.gz YAKSQDAMPVPZKS-UHFFFAOYSA-N 2 1 339.487 2.340 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2csc(C)c2)C1 ZINC001091076391 789728868 /nfs/dbraw/zinc/72/88/68/789728868.db2.gz XUYGERQPXCDOFT-VJFUWPCTSA-N 2 1 345.512 2.139 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2csc(C)c2)C1 ZINC001091076391 789728874 /nfs/dbraw/zinc/72/88/74/789728874.db2.gz XUYGERQPXCDOFT-VJFUWPCTSA-N 2 1 345.512 2.139 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146595000 791366324 /nfs/dbraw/zinc/36/63/24/791366324.db2.gz WDBKYERTUJXSOI-KBPBESRZSA-N 2 1 336.505 2.333 20 30 EEEDMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001147450104 791841771 /nfs/dbraw/zinc/84/17/71/791841771.db2.gz ZDGODEUCRLEJSE-OAQYLSRUSA-N 2 1 349.478 2.437 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091664383 791984703 /nfs/dbraw/zinc/98/47/03/791984703.db2.gz JVIPKQBDFFXHOG-RYRKJORJSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091664383 791984712 /nfs/dbraw/zinc/98/47/12/791984712.db2.gz JVIPKQBDFFXHOG-RYRKJORJSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091664383 791984722 /nfs/dbraw/zinc/98/47/22/791984722.db2.gz JVIPKQBDFFXHOG-RYRKJORJSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091664383 791984731 /nfs/dbraw/zinc/98/47/31/791984731.db2.gz JVIPKQBDFFXHOG-RYRKJORJSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628908 792578340 /nfs/dbraw/zinc/57/83/40/792578340.db2.gz NMDLNAIBMBIQKP-TXPKVOOTSA-N 2 1 337.483 2.450 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032628908 792578345 /nfs/dbraw/zinc/57/83/45/792578345.db2.gz NMDLNAIBMBIQKP-TXPKVOOTSA-N 2 1 337.483 2.450 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921379 792986669 /nfs/dbraw/zinc/98/66/69/792986669.db2.gz NYIBGVAQSHHNKV-QZTJIDSGSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186615 793127183 /nfs/dbraw/zinc/12/71/83/793127183.db2.gz GOWYRWMVPDAKLZ-LSTHTHJFSA-N 2 1 349.494 2.335 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186615 793127188 /nfs/dbraw/zinc/12/71/88/793127188.db2.gz GOWYRWMVPDAKLZ-LSTHTHJFSA-N 2 1 349.494 2.335 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186615 793127195 /nfs/dbraw/zinc/12/71/95/793127195.db2.gz GOWYRWMVPDAKLZ-LSTHTHJFSA-N 2 1 349.494 2.335 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000999389768 794401586 /nfs/dbraw/zinc/40/15/86/794401586.db2.gz CDBYZVIADSNYHC-MOPGFXCFSA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000999389768 794401593 /nfs/dbraw/zinc/40/15/93/794401593.db2.gz CDBYZVIADSNYHC-MOPGFXCFSA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992512495 794463242 /nfs/dbraw/zinc/46/32/42/794463242.db2.gz STRVBZQAWXECJM-ICSRJNTNSA-N 2 1 325.456 2.108 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731788 794678725 /nfs/dbraw/zinc/67/87/25/794678725.db2.gz YVPBIVMQPWRRBF-NVXWUHKLSA-N 2 1 345.512 2.369 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001036737134 794694631 /nfs/dbraw/zinc/69/46/31/794694631.db2.gz MDODZAZGXOHBHW-ZBFHGGJFSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036737134 794694636 /nfs/dbraw/zinc/69/46/36/794694636.db2.gz MDODZAZGXOHBHW-ZBFHGGJFSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036737134 794694640 /nfs/dbraw/zinc/69/46/40/794694640.db2.gz MDODZAZGXOHBHW-ZBFHGGJFSA-N 2 1 325.884 2.146 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(c1ccccc1)N(C)C ZINC001032725279 795259191 /nfs/dbraw/zinc/25/91/91/795259191.db2.gz HXLQOPOPPNKIDA-BJLQDIEVSA-N 2 1 327.472 2.325 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001032725279 795259197 /nfs/dbraw/zinc/25/91/97/795259197.db2.gz HXLQOPOPPNKIDA-BJLQDIEVSA-N 2 1 327.472 2.325 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001032725279 795259202 /nfs/dbraw/zinc/25/92/02/795259202.db2.gz HXLQOPOPPNKIDA-BJLQDIEVSA-N 2 1 327.472 2.325 20 30 EEEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001107998748 795346307 /nfs/dbraw/zinc/34/63/07/795346307.db2.gz QREOAANDCREGSF-QUCCMNQESA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107998748 795346316 /nfs/dbraw/zinc/34/63/16/795346316.db2.gz QREOAANDCREGSF-QUCCMNQESA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107998748 795346324 /nfs/dbraw/zinc/34/63/24/795346324.db2.gz QREOAANDCREGSF-QUCCMNQESA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001106672075 796084555 /nfs/dbraw/zinc/08/45/55/796084555.db2.gz CVBWGSRHVZDYPP-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC[C@@H]12 ZINC001094444726 796251890 /nfs/dbraw/zinc/25/18/90/796251890.db2.gz FWQVVVIINSOYOC-UYAOXDASSA-N 2 1 343.515 2.247 20 30 EEEDMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172970236 797174938 /nfs/dbraw/zinc/17/49/38/797174938.db2.gz DNDJEQZPOPXEGD-CVEARBPZSA-N 2 1 336.480 2.352 20 30 EEEDMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172971129 797175749 /nfs/dbraw/zinc/17/57/49/797175749.db2.gz MJQRUFHWCNHULS-KBPBESRZSA-N 2 1 333.436 2.157 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994118260 797300123 /nfs/dbraw/zinc/30/01/23/797300123.db2.gz VFKWLKQBNHZGME-YJBOKZPZSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994118260 797300131 /nfs/dbraw/zinc/30/01/31/797300131.db2.gz VFKWLKQBNHZGME-YJBOKZPZSA-N 2 1 339.443 2.426 20 30 EEEDMP CCN(CCO)c1ccc(C=[NH+]NCC[NH+]2CCCCC2)c(C)c1 ZINC000915973401 797463199 /nfs/dbraw/zinc/46/31/99/797463199.db2.gz HMEULLIMHIYVTG-UHFFFAOYSA-N 2 1 332.492 2.223 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)Cc1cnc[nH]1 ZINC001175478283 798117889 /nfs/dbraw/zinc/11/78/89/798117889.db2.gz JOGITHGYYUAIBQ-CYBMUJFWSA-N 2 1 345.472 2.350 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCC3=CCCCC3)C2)CC1 ZINC001031434693 798402000 /nfs/dbraw/zinc/40/20/00/798402000.db2.gz AOZZCKWLSJMAFA-UHFFFAOYSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C[C@H](F)CC)[C@H]3C2)CC1 ZINC001085100415 798674268 /nfs/dbraw/zinc/67/42/68/798674268.db2.gz AAVLMGVDIQBTNO-QRQLOZEOSA-N 2 1 349.494 2.003 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101258 798675076 /nfs/dbraw/zinc/67/50/76/798675076.db2.gz AKLMAPDNJBLMAT-YZGWKJHDSA-N 2 1 339.483 2.235 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101258 798675079 /nfs/dbraw/zinc/67/50/79/798675079.db2.gz AKLMAPDNJBLMAT-YZGWKJHDSA-N 2 1 339.483 2.235 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178736074 799606819 /nfs/dbraw/zinc/60/68/19/799606819.db2.gz MVSOGPRUHVFMGE-IKGGRYGDSA-N 2 1 348.491 2.178 20 30 EEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001179585277 800017600 /nfs/dbraw/zinc/01/76/00/800017600.db2.gz GFLJCBJXQAZTFY-KRWDZBQOSA-N 2 1 330.476 2.043 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001183575280 801655185 /nfs/dbraw/zinc/65/51/85/801655185.db2.gz NKYSBNSMAYFYIF-WIYYLYMNSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001183575280 801655191 /nfs/dbraw/zinc/65/51/91/801655191.db2.gz NKYSBNSMAYFYIF-WIYYLYMNSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004458487 802123561 /nfs/dbraw/zinc/12/35/61/802123561.db2.gz PJTAJVZBEXWDDP-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086122564 802222759 /nfs/dbraw/zinc/22/27/59/802222759.db2.gz QCYIHHWJFHRVIG-IPELMVKDSA-N 2 1 340.471 2.027 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638667 802529515 /nfs/dbraw/zinc/52/95/15/802529515.db2.gz XJHGMGYAWYEFGO-KDURUIRLSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657475 802679522 /nfs/dbraw/zinc/67/95/22/802679522.db2.gz MROGGMPCNNQNKG-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657475 802679523 /nfs/dbraw/zinc/67/95/23/802679523.db2.gz MROGGMPCNNQNKG-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657475 802679526 /nfs/dbraw/zinc/67/95/26/802679526.db2.gz MROGGMPCNNQNKG-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086390387 802877703 /nfs/dbraw/zinc/87/77/03/802877703.db2.gz QUMQMQMDIQZFQT-SZMVWBNQSA-N 2 1 331.504 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086390387 802877706 /nfs/dbraw/zinc/87/77/06/802877706.db2.gz QUMQMQMDIQZFQT-SZMVWBNQSA-N 2 1 331.504 2.005 20 30 EEEDMP C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000789762396 808168112 /nfs/dbraw/zinc/16/81/12/808168112.db2.gz WRAVLUBQRATTCW-UHFFFAOYSA-N 2 1 340.471 2.479 20 30 EEEDMP C#CCn1ccc(C[N@H+](CC)Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000789762396 808168117 /nfs/dbraw/zinc/16/81/17/808168117.db2.gz WRAVLUBQRATTCW-UHFFFAOYSA-N 2 1 340.471 2.479 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001113265809 808602654 /nfs/dbraw/zinc/60/26/54/808602654.db2.gz BKXOVVBIPIFNCH-WBVHZDCISA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001086619897 810644700 /nfs/dbraw/zinc/64/47/00/810644700.db2.gz MXWUUIVURXNMMC-NZSAHSFTSA-N 2 1 327.472 2.098 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001129790829 810989955 /nfs/dbraw/zinc/98/99/55/810989955.db2.gz JRGSAYUNYYUJJE-PBHICJAKSA-N 2 1 333.863 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001129790829 810989961 /nfs/dbraw/zinc/98/99/61/810989961.db2.gz JRGSAYUNYYUJJE-PBHICJAKSA-N 2 1 333.863 2.204 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001440131801 1093197663 /nfs/dbraw/zinc/19/76/63/1093197663.db2.gz ZMOBQCIPUCJYQW-ZIAGYGMSSA-N 2 1 346.313 2.063 20 30 EEEDMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001443935412 1098455198 /nfs/dbraw/zinc/45/51/98/1098455198.db2.gz PARVJAAESBDLQI-KRWDZBQOSA-N 2 1 328.460 2.027 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001503003414 1113871208 /nfs/dbraw/zinc/87/12/08/1113871208.db2.gz RCDQXXRVKWQBMO-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001503003414 1113871212 /nfs/dbraw/zinc/87/12/12/1113871212.db2.gz RCDQXXRVKWQBMO-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001503003414 1113871217 /nfs/dbraw/zinc/87/12/17/1113871217.db2.gz RCDQXXRVKWQBMO-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000328734585 539759786 /nfs/dbraw/zinc/75/97/86/539759786.db2.gz KDYQBRJUQMIXRL-HNNXBMFYSA-N 2 1 333.480 2.040 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000328734585 539759790 /nfs/dbraw/zinc/75/97/90/539759790.db2.gz KDYQBRJUQMIXRL-HNNXBMFYSA-N 2 1 333.480 2.040 20 30 EEEDMP C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000581370194 324239003 /nfs/dbraw/zinc/23/90/03/324239003.db2.gz MIHNUYAQUYOCKW-ZBFHGGJFSA-N 2 1 338.459 2.344 20 30 EEEDMP C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000581370194 324239007 /nfs/dbraw/zinc/23/90/07/324239007.db2.gz MIHNUYAQUYOCKW-ZBFHGGJFSA-N 2 1 338.459 2.344 20 30 EEEDMP CCCC(=O)Nc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000264079769 464280702 /nfs/dbraw/zinc/28/07/02/464280702.db2.gz GWUZZHMFDHZQQH-KRWDZBQOSA-N 2 1 345.491 2.314 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)C(C)C ZINC000342766719 465347984 /nfs/dbraw/zinc/34/79/84/465347984.db2.gz WRODVNMYUZLGSC-HUUCEWRRSA-N 2 1 329.435 2.046 20 30 EEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2 ZINC000329560365 465371998 /nfs/dbraw/zinc/37/19/98/465371998.db2.gz IROWIBZDIOHQFR-INIZCTEOSA-N 2 1 346.475 2.355 20 30 EEEDMP O=C(NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330218579 465573635 /nfs/dbraw/zinc/57/36/35/465573635.db2.gz JMEFVAJRUGRGSK-GBESFXJTSA-N 2 1 343.471 2.205 20 30 EEEDMP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+]1C1CC1 ZINC000330218579 465573638 /nfs/dbraw/zinc/57/36/38/465573638.db2.gz JMEFVAJRUGRGSK-GBESFXJTSA-N 2 1 343.471 2.205 20 30 EEEDMP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH+]1C1CC1 ZINC000330218579 465573646 /nfs/dbraw/zinc/57/36/46/465573646.db2.gz JMEFVAJRUGRGSK-GBESFXJTSA-N 2 1 343.471 2.205 20 30 EEEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353413171 465865117 /nfs/dbraw/zinc/86/51/17/465865117.db2.gz OMXXXXCMNJXLRT-LJQANCHMSA-N 2 1 340.471 2.078 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)C1 ZINC000372065781 466143153 /nfs/dbraw/zinc/14/31/53/466143153.db2.gz IDALEQURXOJZFP-QAPCUYQASA-N 2 1 327.476 2.242 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000580641411 468480908 /nfs/dbraw/zinc/48/09/08/468480908.db2.gz MVYIKRCFLOYWTE-SFHVURJKSA-N 2 1 338.879 2.458 20 30 EEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000350229093 466431556 /nfs/dbraw/zinc/43/15/56/466431556.db2.gz XMJRCTWXZFIJOT-GOSISDBHSA-N 2 1 331.460 2.370 20 30 EEEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310562158 466516669 /nfs/dbraw/zinc/51/66/69/466516669.db2.gz WCAVVXXMPRFLEK-QXAKKESOSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310562158 466516671 /nfs/dbraw/zinc/51/66/71/466516671.db2.gz WCAVVXXMPRFLEK-QXAKKESOSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310562158 466516673 /nfs/dbraw/zinc/51/66/73/466516673.db2.gz WCAVVXXMPRFLEK-QXAKKESOSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310562158 466516675 /nfs/dbraw/zinc/51/66/75/466516675.db2.gz WCAVVXXMPRFLEK-QXAKKESOSA-N 2 1 327.472 2.131 20 30 EEEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000368236188 466589882 /nfs/dbraw/zinc/58/98/82/466589882.db2.gz RZODGBJYINLSTL-FRYIKTPZSA-N 2 1 339.483 2.015 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3ccc(CC)cc3)C2)CC1 ZINC000374311606 467038419 /nfs/dbraw/zinc/03/84/19/467038419.db2.gz CPXLLUIZVQPYNP-HXUWFJFHSA-N 2 1 339.483 2.067 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000433608671 467342414 /nfs/dbraw/zinc/34/24/14/467342414.db2.gz ONDYQGJEUKPJOU-SFHVURJKSA-N 2 1 334.508 2.343 20 30 EEEDMP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc(C#N)c(C)n3)CC2)CC1 ZINC000420621983 467435917 /nfs/dbraw/zinc/43/59/17/467435917.db2.gz DVUVPMPJPYPHDW-UHFFFAOYSA-N 2 1 327.476 2.258 20 30 EEEDMP CC[NH+]1CCC([N@H+]2CCCN(c3ccc(C#N)c(C)n3)CC2)CC1 ZINC000420621983 467435921 /nfs/dbraw/zinc/43/59/21/467435921.db2.gz DVUVPMPJPYPHDW-UHFFFAOYSA-N 2 1 327.476 2.258 20 30 EEEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000566111341 468144895 /nfs/dbraw/zinc/14/48/95/468144895.db2.gz AWGXIHIHWVLJCG-INIZCTEOSA-N 2 1 326.444 2.176 20 30 EEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000558753982 468713688 /nfs/dbraw/zinc/71/36/88/468713688.db2.gz YBLVGUTZSHLJEJ-SCTDSRPQSA-N 2 1 345.487 2.256 20 30 EEEDMP Cn1cncc1[C@H]1[C@H](C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)CCCN1C ZINC000598615828 468933889 /nfs/dbraw/zinc/93/38/89/468933889.db2.gz GQBRXIOTUYREFV-XYJFISCASA-N 2 1 347.507 2.036 20 30 EEEDMP C[N@H+]1CCN(CCC[NH2+]Cc2cccc(C#N)n2)[C@H](c2ccccc2)C1 ZINC000602507145 469342558 /nfs/dbraw/zinc/34/25/58/469342558.db2.gz BTEWRIAGXOSQRO-NRFANRHFSA-N 2 1 349.482 2.422 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000171714687 526444423 /nfs/dbraw/zinc/44/44/23/526444423.db2.gz AXJMDSGYODDPNF-LJQANCHMSA-N 2 1 327.472 2.418 20 30 EEEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000743492664 577886283 /nfs/dbraw/zinc/88/62/83/577886283.db2.gz YTXDRLZKMCEGSJ-KRWDZBQOSA-N 2 1 339.483 2.037 20 30 EEEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000743492664 577886284 /nfs/dbraw/zinc/88/62/84/577886284.db2.gz YTXDRLZKMCEGSJ-KRWDZBQOSA-N 2 1 339.483 2.037 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000970800139 676160028 /nfs/dbraw/zinc/16/00/28/676160028.db2.gz MCABXSXXWYNJTP-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001020590126 675221516 /nfs/dbraw/zinc/22/15/16/675221516.db2.gz MWAGFVVHBQOGQX-XEZPLFJOSA-N 2 1 331.863 2.188 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338259 675794518 /nfs/dbraw/zinc/79/45/18/675794518.db2.gz LIZYJLUNDAGILA-GOEBONIOSA-N 2 1 330.476 2.157 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001023888867 679672588 /nfs/dbraw/zinc/67/25/88/679672588.db2.gz FBRKBHIQSXPHAG-RHSMWYFYSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971795128 676800060 /nfs/dbraw/zinc/80/00/60/676800060.db2.gz PHPQTGGTUWFVCA-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971795128 676800062 /nfs/dbraw/zinc/80/00/62/676800062.db2.gz PHPQTGGTUWFVCA-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971795128 676800063 /nfs/dbraw/zinc/80/00/63/676800063.db2.gz PHPQTGGTUWFVCA-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001022717237 678320736 /nfs/dbraw/zinc/32/07/36/678320736.db2.gz UUNITWIXYZWODL-OKILXGFUSA-N 2 1 346.500 2.088 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001023403121 679292053 /nfs/dbraw/zinc/29/20/53/679292053.db2.gz DEWWYFCEUAIRGR-JKSUJKDBSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001023403121 679292049 /nfs/dbraw/zinc/29/20/49/679292049.db2.gz DEWWYFCEUAIRGR-JKSUJKDBSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001023403121 679292050 /nfs/dbraw/zinc/29/20/50/679292050.db2.gz DEWWYFCEUAIRGR-JKSUJKDBSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023403121 679292056 /nfs/dbraw/zinc/29/20/56/679292056.db2.gz DEWWYFCEUAIRGR-JKSUJKDBSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023403121 679292057 /nfs/dbraw/zinc/29/20/57/679292057.db2.gz DEWWYFCEUAIRGR-JKSUJKDBSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947569199 679394890 /nfs/dbraw/zinc/39/48/90/679394890.db2.gz TVQNZIHIJHNCNW-IEBWSBKVSA-N 2 1 341.499 2.397 20 30 EEEDMP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262756047 679551463 /nfs/dbraw/zinc/55/14/63/679551463.db2.gz HMMWIHYQTPHHQE-INIZCTEOSA-N 3 1 335.540 2.043 20 30 EEEDMP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262756047 679551465 /nfs/dbraw/zinc/55/14/65/679551465.db2.gz HMMWIHYQTPHHQE-INIZCTEOSA-N 3 1 335.540 2.043 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001026892792 685257752 /nfs/dbraw/zinc/25/77/52/685257752.db2.gz CEECVDZNACFOPQ-AEFFLSMTSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001026892792 685257758 /nfs/dbraw/zinc/25/77/58/685257758.db2.gz CEECVDZNACFOPQ-AEFFLSMTSA-N 2 1 345.512 2.092 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1C#N ZINC001024366920 679883962 /nfs/dbraw/zinc/88/39/62/679883962.db2.gz WFHMBYHSQQNZAM-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CN1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1C#N ZINC001024366920 679883963 /nfs/dbraw/zinc/88/39/63/679883963.db2.gz WFHMBYHSQQNZAM-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024810817 681463211 /nfs/dbraw/zinc/46/32/11/681463211.db2.gz JZXVKVHQZQZROB-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)/C=C\c1ccccc1C#N ZINC000255904180 681962795 /nfs/dbraw/zinc/96/27/95/681962795.db2.gz MRZHIIRQZDGNIC-HJWRWDBZSA-N 2 1 340.471 2.056 20 30 EEEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccccc1C#N ZINC000255904180 681962800 /nfs/dbraw/zinc/96/28/00/681962800.db2.gz MRZHIIRQZDGNIC-HJWRWDBZSA-N 2 1 340.471 2.056 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001017948736 682142663 /nfs/dbraw/zinc/14/26/63/682142663.db2.gz GWCZYCUCDNAJRT-KURKYZTESA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001017948736 682142666 /nfs/dbraw/zinc/14/26/66/682142666.db2.gz GWCZYCUCDNAJRT-KURKYZTESA-N 2 1 342.487 2.395 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC(=C)C)C2)CC1 ZINC001025631227 683169759 /nfs/dbraw/zinc/16/97/59/683169759.db2.gz YRACNXQNPWSHBA-PKOBYXMFSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000328152764 683220022 /nfs/dbraw/zinc/22/00/22/683220022.db2.gz FTBLLYMWQYYWDB-CYBMUJFWSA-N 2 1 345.270 2.278 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000328152764 683220026 /nfs/dbraw/zinc/22/00/26/683220026.db2.gz FTBLLYMWQYYWDB-CYBMUJFWSA-N 2 1 345.270 2.278 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001026464633 684678227 /nfs/dbraw/zinc/67/82/27/684678227.db2.gz OGQNTGBIGWLISA-KVULBXGLSA-N 2 1 346.500 2.231 20 30 EEEDMP C[N@@H+](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001026891155 685254621 /nfs/dbraw/zinc/25/46/21/685254621.db2.gz NIMBOOCIAJDFEM-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040269 686063815 /nfs/dbraw/zinc/06/38/15/686063815.db2.gz PUDBIJZOWVSBFM-DNVCBOLYSA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040269 686063824 /nfs/dbraw/zinc/06/38/24/686063824.db2.gz PUDBIJZOWVSBFM-DNVCBOLYSA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040269 686063832 /nfs/dbraw/zinc/06/38/32/686063832.db2.gz PUDBIJZOWVSBFM-DNVCBOLYSA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040269 686063840 /nfs/dbraw/zinc/06/38/40/686063840.db2.gz PUDBIJZOWVSBFM-DNVCBOLYSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCC3)C2)CC1 ZINC001027693585 693999662 /nfs/dbraw/zinc/99/96/62/693999662.db2.gz GCKHQOZZGMGHPO-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262816030 688538536 /nfs/dbraw/zinc/53/85/36/688538536.db2.gz WRFMTNJYCKEFBP-HOTGVXAUSA-N 2 1 342.487 2.345 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262816030 688538537 /nfs/dbraw/zinc/53/85/37/688538537.db2.gz WRFMTNJYCKEFBP-HOTGVXAUSA-N 2 1 342.487 2.345 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3n2)[C@@H](C)C1 ZINC000943645551 1192435854 /nfs/dbraw/zinc/43/58/54/1192435854.db2.gz FGUNHIQOTYKYBB-FUHWJXTLSA-N 2 1 338.455 2.035 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001105444663 1187183146 /nfs/dbraw/zinc/18/31/46/1187183146.db2.gz KGINHACDRIAMBP-PUZFROQSSA-N 2 1 329.488 2.320 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105517401 1188134459 /nfs/dbraw/zinc/13/44/59/1188134459.db2.gz BNYCNWGURYYHLO-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1ccc(F)c(C#N)c1 ZINC001409565098 1190041719 /nfs/dbraw/zinc/04/17/19/1190041719.db2.gz LMJCWIOHMASFFM-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001409565098 1190041721 /nfs/dbraw/zinc/04/17/21/1190041721.db2.gz LMJCWIOHMASFFM-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001409565098 1190041726 /nfs/dbraw/zinc/04/17/26/1190041726.db2.gz LMJCWIOHMASFFM-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001484120220 1191220471 /nfs/dbraw/zinc/22/04/71/1191220471.db2.gz MMMWHHLSXOCQSD-SFHVURJKSA-N 2 1 348.516 2.290 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033414821 1194534020 /nfs/dbraw/zinc/53/40/20/1194534020.db2.gz FFVPELLPDJVHIS-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033414821 1194534022 /nfs/dbraw/zinc/53/40/22/1194534022.db2.gz FFVPELLPDJVHIS-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033414821 1194534024 /nfs/dbraw/zinc/53/40/24/1194534024.db2.gz FFVPELLPDJVHIS-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001033685542 1195067624 /nfs/dbraw/zinc/06/76/24/1195067624.db2.gz VKCZIOCKZNCWMQ-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001033687447 1195071566 /nfs/dbraw/zinc/07/15/66/1195071566.db2.gz GORPWALTDNEYBX-FQEVSTJZSA-N 2 1 343.515 2.365 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033951222 1195552039 /nfs/dbraw/zinc/55/20/39/1195552039.db2.gz CNGVLKXVHHQYBS-HXUWFJFHSA-N 2 1 341.499 2.350 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001034004999 1195647810 /nfs/dbraw/zinc/64/78/10/1195647810.db2.gz SVPMAOIIFKAYAR-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034004999 1195647815 /nfs/dbraw/zinc/64/78/15/1195647815.db2.gz SVPMAOIIFKAYAR-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941872 1200217805 /nfs/dbraw/zinc/21/78/05/1200217805.db2.gz RNFOEFNRMMKJIL-IRXDYDNUSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202772521 1204901175 /nfs/dbraw/zinc/90/11/75/1204901175.db2.gz RWIRFMXLLZHUQS-SFHVURJKSA-N 2 1 337.508 2.033 20 30 EEEDMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2CC1 ZINC001275290709 1205299820 /nfs/dbraw/zinc/29/98/20/1205299820.db2.gz YCTAZPPNKVZGLG-BGYRXZFFSA-N 2 1 343.471 2.323 20 30 EEEDMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2CC1 ZINC001275290709 1205299822 /nfs/dbraw/zinc/29/98/22/1205299822.db2.gz YCTAZPPNKVZGLG-BGYRXZFFSA-N 2 1 343.471 2.323 20 30 EEEDMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2CC1 ZINC001275290709 1205299824 /nfs/dbraw/zinc/29/98/24/1205299824.db2.gz YCTAZPPNKVZGLG-BGYRXZFFSA-N 2 1 343.471 2.323 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000948770450 1209363560 /nfs/dbraw/zinc/36/35/60/1209363560.db2.gz IRMGASUQRPGYPX-HXUWFJFHSA-N 2 1 341.499 2.350 20 30 EEEDMP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948986120 1209490709 /nfs/dbraw/zinc/49/07/09/1209490709.db2.gz IOSQJUHCNSHNEQ-HKUYNNGSSA-N 2 1 327.472 2.230 20 30 EEEDMP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948986120 1209490711 /nfs/dbraw/zinc/49/07/11/1209490711.db2.gz IOSQJUHCNSHNEQ-HKUYNNGSSA-N 2 1 327.472 2.230 20 30 EEEDMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948986120 1209490712 /nfs/dbraw/zinc/49/07/12/1209490712.db2.gz IOSQJUHCNSHNEQ-HKUYNNGSSA-N 2 1 327.472 2.230 20 30 EEEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000950631037 1210313261 /nfs/dbraw/zinc/31/32/61/1210313261.db2.gz WXAXPASKKQPYQE-MOPGFXCFSA-N 2 1 327.472 2.052 20 30 EEEDMP CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC001015499097 1225336639 /nfs/dbraw/zinc/33/66/39/1225336639.db2.gz NJHWUJJEIHAQKP-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC001015499097 1225336645 /nfs/dbraw/zinc/33/66/45/1225336645.db2.gz NJHWUJJEIHAQKP-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496268 1212114978 /nfs/dbraw/zinc/11/49/78/1212114978.db2.gz JFHCZOFLZHYNFY-LBKNJMOBSA-N 2 1 342.487 2.309 20 30 EEEDMP CCN(CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000303771913 1213903621 /nfs/dbraw/zinc/90/36/21/1213903621.db2.gz CZOBBXQJKSCYGC-SFHVURJKSA-N 2 1 331.508 2.292 20 30 EEEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000303886580 1213921469 /nfs/dbraw/zinc/92/14/69/1213921469.db2.gz KGJZQUKZTULJNC-HNNXBMFYSA-N 2 1 349.910 2.119 20 30 EEEDMP [NH2+]=C(NCCCCCc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000303972517 1213933973 /nfs/dbraw/zinc/93/39/73/1213933973.db2.gz FWIMZTMDHXZLAF-UHFFFAOYSA-N 2 1 332.492 2.026 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961025668 1217012293 /nfs/dbraw/zinc/01/22/93/1217012293.db2.gz BIRZJJCAIBCUBW-IBGZPJMESA-N 2 1 340.471 2.077 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961369627 1217161278 /nfs/dbraw/zinc/16/12/78/1217161278.db2.gz YKZGYAKIFMSGKT-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961369627 1217161280 /nfs/dbraw/zinc/16/12/80/1217161280.db2.gz YKZGYAKIFMSGKT-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961369627 1217161283 /nfs/dbraw/zinc/16/12/83/1217161283.db2.gz YKZGYAKIFMSGKT-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376783 1217164426 /nfs/dbraw/zinc/16/44/26/1217164426.db2.gz CYWFIMXYUIOQNH-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376783 1217164429 /nfs/dbraw/zinc/16/44/29/1217164429.db2.gz CYWFIMXYUIOQNH-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376783 1217164431 /nfs/dbraw/zinc/16/44/31/1217164431.db2.gz CYWFIMXYUIOQNH-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961400532 1217175702 /nfs/dbraw/zinc/17/57/02/1217175702.db2.gz HWEDYOQHIMJYQC-FQEVSTJZSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961412660 1217180360 /nfs/dbraw/zinc/18/03/60/1217180360.db2.gz UIJAMMPUWYUOHZ-AZUAARDMSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961438435 1217190163 /nfs/dbraw/zinc/19/01/63/1217190163.db2.gz DFWBTZILABMIKR-IBGZPJMESA-N 2 1 331.504 2.056 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000961991682 1217440350 /nfs/dbraw/zinc/44/03/50/1217440350.db2.gz GLJYHUGDHKWGRA-KVULBXGLSA-N 2 1 346.500 2.088 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358170 1217552340 /nfs/dbraw/zinc/55/23/40/1217552340.db2.gz OUQZDDPLYXEOAB-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C)CC1 ZINC000968681954 1221487710 /nfs/dbraw/zinc/48/77/10/1221487710.db2.gz NMWGGQOFNKPXJL-FXAWDEMLSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039173274 1230399040 /nfs/dbraw/zinc/39/90/40/1230399040.db2.gz RXYQMKSZSZTQKE-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039173274 1230399044 /nfs/dbraw/zinc/39/90/44/1230399044.db2.gz RXYQMKSZSZTQKE-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(C[NH+](C)C)on1 ZINC001039284385 1230508400 /nfs/dbraw/zinc/50/84/00/1230508400.db2.gz NOQGRMHNINXXLQ-GOOCMWNKSA-N 2 1 332.448 2.038 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001039375307 1230561765 /nfs/dbraw/zinc/56/17/65/1230561765.db2.gz XFAWHBHWLRTLII-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001039375307 1230561769 /nfs/dbraw/zinc/56/17/69/1230561769.db2.gz XFAWHBHWLRTLII-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001039375307 1230561774 /nfs/dbraw/zinc/56/17/74/1230561774.db2.gz XFAWHBHWLRTLII-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cnc(C)n3C1)C2 ZINC001095934523 1230912243 /nfs/dbraw/zinc/91/22/43/1230912243.db2.gz RFLAQVSDCGQGMZ-LMSBXDPUSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095934523 1230912245 /nfs/dbraw/zinc/91/22/45/1230912245.db2.gz RFLAQVSDCGQGMZ-LMSBXDPUSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095934523 1230912250 /nfs/dbraw/zinc/91/22/50/1230912250.db2.gz RFLAQVSDCGQGMZ-LMSBXDPUSA-N 2 1 328.460 2.052 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040731941 1231351150 /nfs/dbraw/zinc/35/11/50/1231351150.db2.gz FSAXQYRLVMUMNB-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285148 1231494692 /nfs/dbraw/zinc/49/46/92/1231494692.db2.gz AZMBABZWFLDSPJ-QUCCMNQESA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301322 1231499178 /nfs/dbraw/zinc/49/91/78/1231499178.db2.gz LMXBNOUZHPBFOM-FXAWDEMLSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301322 1231499180 /nfs/dbraw/zinc/49/91/80/1231499180.db2.gz LMXBNOUZHPBFOM-FXAWDEMLSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432146 1231544874 /nfs/dbraw/zinc/54/48/74/1231544874.db2.gz OLUUBBGNEZOZKZ-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432146 1231544876 /nfs/dbraw/zinc/54/48/76/1231544876.db2.gz OLUUBBGNEZOZKZ-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432146 1231544878 /nfs/dbraw/zinc/54/48/78/1231544878.db2.gz OLUUBBGNEZOZKZ-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844801 1231728040 /nfs/dbraw/zinc/72/80/40/1231728040.db2.gz NRRXKOWRVCVXKX-OAQYLSRUSA-N 2 1 339.483 2.310 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001042157536 1231925601 /nfs/dbraw/zinc/92/56/01/1231925601.db2.gz RJCNZAHZPZCCLO-LPHOPBHVSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001042157536 1231925602 /nfs/dbraw/zinc/92/56/02/1231925602.db2.gz RJCNZAHZPZCCLO-LPHOPBHVSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC001044792301 1233268493 /nfs/dbraw/zinc/26/84/93/1233268493.db2.gz KFCVREOOPVGGKH-RDJZCZTQSA-N 2 1 339.443 2.426 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045073930 1233486584 /nfs/dbraw/zinc/48/65/84/1233486584.db2.gz TZBDXDQIASGMEA-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045073930 1233486588 /nfs/dbraw/zinc/48/65/88/1233486588.db2.gz TZBDXDQIASGMEA-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001045200919 1233576807 /nfs/dbraw/zinc/57/68/07/1233576807.db2.gz VCKSPKIKNGSVRO-GJZGRUSLSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001045685347 1233906586 /nfs/dbraw/zinc/90/65/86/1233906586.db2.gz HNKJHRLJKRYROA-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045949165 1234213542 /nfs/dbraw/zinc/21/35/42/1234213542.db2.gz ZBHOQJSOJBUZTE-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949165 1234213546 /nfs/dbraw/zinc/21/35/46/1234213546.db2.gz ZBHOQJSOJBUZTE-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949165 1234213550 /nfs/dbraw/zinc/21/35/50/1234213550.db2.gz ZBHOQJSOJBUZTE-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045951247 1234217876 /nfs/dbraw/zinc/21/78/76/1234217876.db2.gz BZPAULZCLMHXLJ-CTNGQTDRSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001045969064 1234251631 /nfs/dbraw/zinc/25/16/31/1234251631.db2.gz KFPULWDFCWPMHR-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001045969064 1234251633 /nfs/dbraw/zinc/25/16/33/1234251633.db2.gz KFPULWDFCWPMHR-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976392 1234262942 /nfs/dbraw/zinc/26/29/42/1234262942.db2.gz YFYRLRGPUQRDKH-NRFANRHFSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047243642 1235733946 /nfs/dbraw/zinc/73/39/46/1235733946.db2.gz MIHAHGHZHAKCMS-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047243642 1235733960 /nfs/dbraw/zinc/73/39/60/1235733960.db2.gz MIHAHGHZHAKCMS-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001048531902 1237888859 /nfs/dbraw/zinc/88/88/59/1237888859.db2.gz JXMDUFOELZFVRY-YSTOQKLRSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048531902 1237888872 /nfs/dbraw/zinc/88/88/72/1237888872.db2.gz JXMDUFOELZFVRY-YSTOQKLRSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048531902 1237888886 /nfs/dbraw/zinc/88/88/86/1237888886.db2.gz JXMDUFOELZFVRY-YSTOQKLRSA-N 2 1 345.531 2.347 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048871086 1239099403 /nfs/dbraw/zinc/09/94/03/1239099403.db2.gz HLQPVGXCWJTYMK-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871086 1239099409 /nfs/dbraw/zinc/09/94/09/1239099409.db2.gz HLQPVGXCWJTYMK-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871086 1239099423 /nfs/dbraw/zinc/09/94/23/1239099423.db2.gz HLQPVGXCWJTYMK-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4cnc(C)n4C3)C[C@H]2C1 ZINC001049012420 1239743060 /nfs/dbraw/zinc/74/30/60/1239743060.db2.gz BVRHYAQVEFARQB-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C1 ZINC001049012420 1239743066 /nfs/dbraw/zinc/74/30/66/1239743066.db2.gz BVRHYAQVEFARQB-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C1 ZINC001049012420 1239743070 /nfs/dbraw/zinc/74/30/70/1239743070.db2.gz BVRHYAQVEFARQB-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001000186719 1240041700 /nfs/dbraw/zinc/04/17/00/1240041700.db2.gz VWNDIWFVZAXECS-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000194488 1240049232 /nfs/dbraw/zinc/04/92/32/1240049232.db2.gz VTALLYONSUGCDX-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049835275 1242362378 /nfs/dbraw/zinc/36/23/78/1242362378.db2.gz HERMVPDPCOXDJU-QRVBRYPASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049835275 1242362390 /nfs/dbraw/zinc/36/23/90/1242362390.db2.gz HERMVPDPCOXDJU-QRVBRYPASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049835275 1242362396 /nfs/dbraw/zinc/36/23/96/1242362396.db2.gz HERMVPDPCOXDJU-QRVBRYPASA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049909813 1242659222 /nfs/dbraw/zinc/65/92/22/1242659222.db2.gz CRHMILJRYRVYNN-VQTJNVASSA-N 2 1 339.483 2.450 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913454 1242677721 /nfs/dbraw/zinc/67/77/21/1242677721.db2.gz YFDXIRYMRYCJIP-VQTJNVASSA-N 2 1 339.483 2.450 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052704109 1244790839 /nfs/dbraw/zinc/79/08/39/1244790839.db2.gz ZSPNKBIXQVDUNC-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704109 1244790847 /nfs/dbraw/zinc/79/08/47/1244790847.db2.gz ZSPNKBIXQVDUNC-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704109 1244790853 /nfs/dbraw/zinc/79/08/53/1244790853.db2.gz ZSPNKBIXQVDUNC-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cccc2C1 ZINC001051292949 1245490522 /nfs/dbraw/zinc/49/05/22/1245490522.db2.gz LSIUPGSXLCIUNR-IBGZPJMESA-N 2 1 327.472 2.331 20 30 EEEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCCC[NH+]3C)cccc2C1 ZINC001051292949 1245490525 /nfs/dbraw/zinc/49/05/25/1245490525.db2.gz LSIUPGSXLCIUNR-IBGZPJMESA-N 2 1 327.472 2.331 20 30 EEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCCC[NH+]3C)cccc2C1 ZINC001051292949 1245490529 /nfs/dbraw/zinc/49/05/29/1245490529.db2.gz LSIUPGSXLCIUNR-IBGZPJMESA-N 2 1 327.472 2.331 20 30 EEEDMP C#CC[N@@H+]1CCc2c(CNC(=O)c3ccc4c[nH+]cn4c3)cccc2C1 ZINC001051292896 1245490748 /nfs/dbraw/zinc/49/07/48/1245490748.db2.gz FNEUHDDFXSMVER-UHFFFAOYSA-N 2 1 344.418 2.256 20 30 EEEDMP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@H]3CC[N@H+](C)C3)cccc2C1 ZINC001051307167 1245513168 /nfs/dbraw/zinc/51/31/68/1245513168.db2.gz PSYCSBIALZUHEF-SFHVURJKSA-N 2 1 327.472 2.189 20 30 EEEDMP C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307167 1245513173 /nfs/dbraw/zinc/51/31/73/1245513173.db2.gz PSYCSBIALZUHEF-SFHVURJKSA-N 2 1 327.472 2.189 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307167 1245513178 /nfs/dbraw/zinc/51/31/78/1245513178.db2.gz PSYCSBIALZUHEF-SFHVURJKSA-N 2 1 327.472 2.189 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001101590211 1245996967 /nfs/dbraw/zinc/99/69/67/1245996967.db2.gz DQOWWNJFJJUPQY-QGZVFWFLSA-N 2 1 333.520 2.206 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438978 1247286127 /nfs/dbraw/zinc/28/61/27/1247286127.db2.gz FVSQZJGSRQFSIW-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001052438978 1247286136 /nfs/dbraw/zinc/28/61/36/1247286136.db2.gz FVSQZJGSRQFSIW-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001052438978 1247286140 /nfs/dbraw/zinc/28/61/40/1247286140.db2.gz FVSQZJGSRQFSIW-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171600 1247596848 /nfs/dbraw/zinc/59/68/48/1247596848.db2.gz VAOGBCDSHZUKGM-TZIWHRDSSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054204777 1247709723 /nfs/dbraw/zinc/70/97/23/1247709723.db2.gz CYVSTPRSCPJDLW-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054204777 1247709735 /nfs/dbraw/zinc/70/97/35/1247709735.db2.gz CYVSTPRSCPJDLW-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001072921883 1255496884 /nfs/dbraw/zinc/49/68/84/1255496884.db2.gz UXNSGMGPBUWQEB-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001072921883 1255496886 /nfs/dbraw/zinc/49/68/86/1255496886.db2.gz UXNSGMGPBUWQEB-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099552254 1258200219 /nfs/dbraw/zinc/20/02/19/1258200219.db2.gz KARHBJNSOCICPY-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099552254 1258200224 /nfs/dbraw/zinc/20/02/24/1258200224.db2.gz KARHBJNSOCICPY-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099552254 1258200229 /nfs/dbraw/zinc/20/02/29/1258200229.db2.gz KARHBJNSOCICPY-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001185659266 1278734551 /nfs/dbraw/zinc/73/45/51/1278734551.db2.gz FWKCHLDCPFTOOH-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598497 1279171514 /nfs/dbraw/zinc/17/15/14/1279171514.db2.gz TXCQMNLRTQNZRR-GOSISDBHSA-N 2 1 345.531 2.302 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001193600665 1282627548 /nfs/dbraw/zinc/62/75/48/1282627548.db2.gz JAKURWHHNMWRDQ-FQEVSTJZSA-N 2 1 341.499 2.303 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001193600665 1282627555 /nfs/dbraw/zinc/62/75/55/1282627555.db2.gz JAKURWHHNMWRDQ-FQEVSTJZSA-N 2 1 341.499 2.303 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001193600665 1282627570 /nfs/dbraw/zinc/62/75/70/1282627570.db2.gz JAKURWHHNMWRDQ-FQEVSTJZSA-N 2 1 341.499 2.303 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392900 1284957123 /nfs/dbraw/zinc/95/71/23/1284957123.db2.gz YEEKLUPQBSNGHQ-CJNGLKHVSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152392900 1284957127 /nfs/dbraw/zinc/95/71/27/1284957127.db2.gz YEEKLUPQBSNGHQ-CJNGLKHVSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152392900 1284957129 /nfs/dbraw/zinc/95/71/29/1284957129.db2.gz YEEKLUPQBSNGHQ-CJNGLKHVSA-N 2 1 334.489 2.041 20 30 EEEDMP C=CCC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1OC ZINC001198902093 1285402090 /nfs/dbraw/zinc/40/20/90/1285402090.db2.gz DOMYQPBKUGTUSM-AEFFLSMTSA-N 2 1 345.487 2.360 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176744 1286907426 /nfs/dbraw/zinc/90/74/26/1286907426.db2.gz ZXHBCTBQIZKZRI-XLIONFOSSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176744 1286907431 /nfs/dbraw/zinc/90/74/31/1286907431.db2.gz ZXHBCTBQIZKZRI-XLIONFOSSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176744 1286907437 /nfs/dbraw/zinc/90/74/37/1286907437.db2.gz ZXHBCTBQIZKZRI-XLIONFOSSA-N 2 1 349.519 2.129 20 30 EEEDMP C#C[C@](C)(CC)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000852099102 1291991900 /nfs/dbraw/zinc/99/19/00/1291991900.db2.gz DQYHCOAPXZGVGV-OAQYLSRUSA-N 2 1 341.499 2.421 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000854664430 1292912083 /nfs/dbraw/zinc/91/20/83/1292912083.db2.gz UMGDDLPOTJUMRE-FQEVSTJZSA-N 2 1 341.499 2.012 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000854664430 1292912088 /nfs/dbraw/zinc/91/20/88/1292912088.db2.gz UMGDDLPOTJUMRE-FQEVSTJZSA-N 2 1 341.499 2.012 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000854664430 1292912090 /nfs/dbraw/zinc/91/20/90/1292912090.db2.gz UMGDDLPOTJUMRE-FQEVSTJZSA-N 2 1 341.499 2.012 20 30 EEEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738231 1296086655 /nfs/dbraw/zinc/08/66/55/1296086655.db2.gz LCTZSRQZGJVGDG-KRWDZBQOSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001072738231 1296086661 /nfs/dbraw/zinc/08/66/61/1296086661.db2.gz LCTZSRQZGJVGDG-KRWDZBQOSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001072738231 1296086671 /nfs/dbraw/zinc/08/66/71/1296086671.db2.gz LCTZSRQZGJVGDG-KRWDZBQOSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813421 1296173138 /nfs/dbraw/zinc/17/31/38/1296173138.db2.gz RGTGJUJNUINWBA-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813421 1296173140 /nfs/dbraw/zinc/17/31/40/1296173140.db2.gz RGTGJUJNUINWBA-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001214673452 1296552868 /nfs/dbraw/zinc/55/28/68/1296552868.db2.gz DVAGUDARZCHIID-ZTFGCOKTSA-N 2 1 345.491 2.193 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001214673452 1296552879 /nfs/dbraw/zinc/55/28/79/1296552879.db2.gz DVAGUDARZCHIID-ZTFGCOKTSA-N 2 1 345.491 2.193 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001214880569 1296634144 /nfs/dbraw/zinc/63/41/44/1296634144.db2.gz PALHXTKZDXEZSG-RLLQIKCJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001214880569 1296634153 /nfs/dbraw/zinc/63/41/53/1296634153.db2.gz PALHXTKZDXEZSG-RLLQIKCJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C[C@@H]21 ZINC001223901166 1300322010 /nfs/dbraw/zinc/32/20/10/1300322010.db2.gz SMOGJTIMLVAFSI-HOJAQTOUSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C[C@@H]21 ZINC001223901166 1300322025 /nfs/dbraw/zinc/32/20/25/1300322025.db2.gz SMOGJTIMLVAFSI-HOJAQTOUSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223901166 1300322038 /nfs/dbraw/zinc/32/20/38/1300322038.db2.gz SMOGJTIMLVAFSI-HOJAQTOUSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223901166 1300322052 /nfs/dbraw/zinc/32/20/52/1300322052.db2.gz SMOGJTIMLVAFSI-HOJAQTOUSA-N 2 1 339.483 2.235 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225591621 1301077278 /nfs/dbraw/zinc/07/72/78/1301077278.db2.gz WDWYZIGFEBUIJG-LJQANCHMSA-N 2 1 327.472 2.141 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001227849661 1301987226 /nfs/dbraw/zinc/98/72/26/1301987226.db2.gz YYPULFRDMMTAMW-MJGOQNOKSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001227849661 1301987232 /nfs/dbraw/zinc/98/72/32/1301987232.db2.gz YYPULFRDMMTAMW-MJGOQNOKSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCCC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230713367 1303408697 /nfs/dbraw/zinc/40/86/97/1303408697.db2.gz BCBLAKLWZKQBKE-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCCC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230713367 1303408702 /nfs/dbraw/zinc/40/87/02/1303408702.db2.gz BCBLAKLWZKQBKE-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCCC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230713367 1303408705 /nfs/dbraw/zinc/40/87/05/1303408705.db2.gz BCBLAKLWZKQBKE-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cccnc1 ZINC001230923754 1303549230 /nfs/dbraw/zinc/54/92/30/1303549230.db2.gz KFFRCVWGYVMZRP-QZTJIDSGSA-N 2 1 344.503 2.449 20 30 EEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001112442206 1304552652 /nfs/dbraw/zinc/55/26/52/1304552652.db2.gz OKEQSFHIPKRENP-KXBFYZLASA-N 2 1 346.475 2.144 20 30 EEEDMP C=CCOCc1nn(C)c2c1CN(Cc1cccc3cncn31)CC2 ZINC001238105250 1306225136 /nfs/dbraw/zinc/22/51/36/1306225136.db2.gz SLOKRCZKTNIHAR-UHFFFAOYSA-N 2 1 337.427 2.329 20 30 EEEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246547911 1310336812 /nfs/dbraw/zinc/33/68/12/1310336812.db2.gz GXTWKOCOZZBTGB-SUTQANCOSA-N 2 1 333.476 2.380 20 30 EEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001142928867 1315802617 /nfs/dbraw/zinc/80/26/17/1315802617.db2.gz NHCHMHZUQSXCQP-VQTJNVASSA-N 2 1 337.471 2.250 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001150580740 1316305682 /nfs/dbraw/zinc/30/56/82/1316305682.db2.gz ZIMRHUCWNSZGKI-OALUTQOASA-N 2 1 345.487 2.073 20 30 EEEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001150580740 1316305684 /nfs/dbraw/zinc/30/56/84/1316305684.db2.gz ZIMRHUCWNSZGKI-OALUTQOASA-N 2 1 345.487 2.073 20 30 EEEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001150580740 1316305687 /nfs/dbraw/zinc/30/56/87/1316305687.db2.gz ZIMRHUCWNSZGKI-OALUTQOASA-N 2 1 345.487 2.073 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001151132538 1316456371 /nfs/dbraw/zinc/45/63/71/1316456371.db2.gz RSKOLUHQRWFNGE-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C#N)[NH+](C)C ZINC001153997924 1316933434 /nfs/dbraw/zinc/93/34/34/1316933434.db2.gz FGJFUCNUDORPMT-CRAIPNDOSA-N 2 1 330.476 2.225 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C#N)[NH+](C)C ZINC001153997924 1316933437 /nfs/dbraw/zinc/93/34/37/1316933437.db2.gz FGJFUCNUDORPMT-CRAIPNDOSA-N 2 1 330.476 2.225 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898389 1317375087 /nfs/dbraw/zinc/37/50/87/1317375087.db2.gz LEDCPFPUTLVVMM-GOSISDBHSA-N 2 1 341.499 2.207 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)cc1 ZINC001156201130 1317918706 /nfs/dbraw/zinc/91/87/06/1317918706.db2.gz VZOAWSSOZKPOTL-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1 ZINC001156201130 1317918708 /nfs/dbraw/zinc/91/87/08/1317918708.db2.gz VZOAWSSOZKPOTL-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CS(=O)(=O)c1ccc(C(=[NH2+])N[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256904762 1318892317 /nfs/dbraw/zinc/89/23/17/1318892317.db2.gz MYCRRZCXSCNLQS-OAHLLOKOSA-N 2 1 349.500 2.202 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001158405394 1319222696 /nfs/dbraw/zinc/22/26/96/1319222696.db2.gz ROECKQLJGYSCPA-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001158405394 1319222705 /nfs/dbraw/zinc/22/27/05/1319222705.db2.gz ROECKQLJGYSCPA-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001159328673 1319741934 /nfs/dbraw/zinc/74/19/34/1319741934.db2.gz VOCZOSHIDQMYJH-MRXNPFEDSA-N 2 1 334.489 2.090 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001160386175 1320152152 /nfs/dbraw/zinc/15/21/52/1320152152.db2.gz LFDTYRJJZJDVEG-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001160386175 1320152156 /nfs/dbraw/zinc/15/21/56/1320152156.db2.gz LFDTYRJJZJDVEG-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001160386175 1320152158 /nfs/dbraw/zinc/15/21/58/1320152158.db2.gz LFDTYRJJZJDVEG-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001160386175 1320152163 /nfs/dbraw/zinc/15/21/63/1320152163.db2.gz LFDTYRJJZJDVEG-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161446034 1320503666 /nfs/dbraw/zinc/50/36/66/1320503666.db2.gz VUONJUFNWRANIK-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161446034 1320503668 /nfs/dbraw/zinc/50/36/68/1320503668.db2.gz VUONJUFNWRANIK-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161446034 1320503670 /nfs/dbraw/zinc/50/36/70/1320503670.db2.gz VUONJUFNWRANIK-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001162929459 1320990794 /nfs/dbraw/zinc/99/07/94/1320990794.db2.gz YQAJOYCSGWZXHB-AZUAARDMSA-N 2 1 343.515 2.421 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164514860 1321403676 /nfs/dbraw/zinc/40/36/76/1321403676.db2.gz UNYDJAIWYCAGJN-OAHLLOKOSA-N 2 1 327.900 2.488 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203491858 1321895284 /nfs/dbraw/zinc/89/52/84/1321895284.db2.gz HFKRHBZVIQRGFS-IRXDYDNUSA-N 2 1 328.460 2.012 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](C[C@H]4CCCO4)C[C@H]3CC2)cc1C#N ZINC001276433970 1322009306 /nfs/dbraw/zinc/00/93/06/1322009306.db2.gz OOIQVZDDAZHYDA-WSTZPKSXSA-N 2 1 342.487 2.220 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](C[C@H]4CCCO4)C[C@H]3CC2)cc1C#N ZINC001276433970 1322009312 /nfs/dbraw/zinc/00/93/12/1322009312.db2.gz OOIQVZDDAZHYDA-WSTZPKSXSA-N 2 1 342.487 2.220 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](C[C@H]4CCCO4)C[C@H]3CC2)cc1C#N ZINC001276433970 1322009318 /nfs/dbraw/zinc/00/93/18/1322009318.db2.gz OOIQVZDDAZHYDA-WSTZPKSXSA-N 2 1 342.487 2.220 20 30 EEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001206281206 1323445896 /nfs/dbraw/zinc/44/58/96/1323445896.db2.gz FACZHDMEVLPBNT-KRWDZBQOSA-N 2 1 330.476 2.158 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC001207789673 1324151820 /nfs/dbraw/zinc/15/18/20/1324151820.db2.gz CXGDECMGSQGJFU-JKIFEVAISA-N 2 1 334.464 2.141 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207789673 1324151824 /nfs/dbraw/zinc/15/18/24/1324151824.db2.gz CXGDECMGSQGJFU-JKIFEVAISA-N 2 1 334.464 2.141 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207789673 1324151837 /nfs/dbraw/zinc/15/18/37/1324151837.db2.gz CXGDECMGSQGJFU-JKIFEVAISA-N 2 1 334.464 2.141 20 30 EEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208467636 1324513235 /nfs/dbraw/zinc/51/32/35/1324513235.db2.gz RFIRCBKFSQQVES-GJZGRUSLSA-N 2 1 334.464 2.285 20 30 EEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2CCCc1cccc(C#N)c1 ZINC001208852690 1324690865 /nfs/dbraw/zinc/69/08/65/1324690865.db2.gz QPLOQJSMIWYZKJ-UXHICEINSA-N 2 1 326.488 2.201 20 30 EEEDMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)ccn3)(C1)CCC2 ZINC001276688373 1325391991 /nfs/dbraw/zinc/39/19/91/1325391991.db2.gz NOVCKSCPJTUHIE-MOPGFXCFSA-N 2 1 344.459 2.098 20 30 EEEDMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C#N ZINC001578875635 1344312557 /nfs/dbraw/zinc/31/25/57/1344312557.db2.gz SPWGCEPYZVJPJP-LSDHHAIUSA-N 2 1 327.428 2.166 20 30 EEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1OC ZINC001198903164 1368651925 /nfs/dbraw/zinc/65/19/25/1368651925.db2.gz VXKAZYJQNSILDH-WMZOPIPTSA-N 2 1 345.487 2.360 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001121232235 1371865710 /nfs/dbraw/zinc/86/57/10/1371865710.db2.gz BJZOLXWUWVLICH-JDKNDNFBSA-N 2 1 343.515 2.434 20 30 EEEDMP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001366675731 1374001728 /nfs/dbraw/zinc/00/17/28/1374001728.db2.gz ZVUZKACCVKXTFO-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001366675731 1374001731 /nfs/dbraw/zinc/00/17/31/1374001731.db2.gz ZVUZKACCVKXTFO-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001366675731 1374001736 /nfs/dbraw/zinc/00/17/36/1374001736.db2.gz ZVUZKACCVKXTFO-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001366675731 1374001740 /nfs/dbraw/zinc/00/17/40/1374001740.db2.gz ZVUZKACCVKXTFO-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001371662284 1375563023 /nfs/dbraw/zinc/56/30/23/1375563023.db2.gz YKEDCCQFDLTZKR-ZIAGYGMSSA-N 2 1 346.313 2.254 20 30 EEEDMP C[N@@H+](CC(=O)N[C@@]1(C)CC[NH+](Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001375828560 1378036400 /nfs/dbraw/zinc/03/64/00/1378036400.db2.gz JPZJHQWNYMSRMF-FQEVSTJZSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001375828560 1378036403 /nfs/dbraw/zinc/03/64/03/1378036403.db2.gz JPZJHQWNYMSRMF-FQEVSTJZSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001375828560 1378036407 /nfs/dbraw/zinc/03/64/07/1378036407.db2.gz JPZJHQWNYMSRMF-FQEVSTJZSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Br)C[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001377713574 1379468770 /nfs/dbraw/zinc/46/87/70/1379468770.db2.gz AGBIUVXJWBKQRD-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001377713574 1379468773 /nfs/dbraw/zinc/46/87/73/1379468773.db2.gz AGBIUVXJWBKQRD-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001377713574 1379468777 /nfs/dbraw/zinc/46/87/77/1379468777.db2.gz AGBIUVXJWBKQRD-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001377713574 1379468781 /nfs/dbraw/zinc/46/87/81/1379468781.db2.gz AGBIUVXJWBKQRD-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC/C=C\CC)CC1 ZINC001752850840 1406485987 /nfs/dbraw/zinc/48/59/87/1406485987.db2.gz NZZBJHSMPIFYSY-MZCYRKOTSA-N 2 1 331.504 2.457 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC/C=C\CC)CC1 ZINC001752850840 1406485991 /nfs/dbraw/zinc/48/59/91/1406485991.db2.gz NZZBJHSMPIFYSY-MZCYRKOTSA-N 2 1 331.504 2.457 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCc1ccc(C)cc1 ZINC001754312665 1406890089 /nfs/dbraw/zinc/89/00/89/1406890089.db2.gz FCKXTRQNISKKJE-ICSRJNTNSA-N 2 1 341.499 2.072 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccc(C)cc1 ZINC001754312665 1406890091 /nfs/dbraw/zinc/89/00/91/1406890091.db2.gz FCKXTRQNISKKJE-ICSRJNTNSA-N 2 1 341.499 2.072 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCc1ccc(C)cc1 ZINC001754312665 1406890095 /nfs/dbraw/zinc/89/00/95/1406890095.db2.gz FCKXTRQNISKKJE-ICSRJNTNSA-N 2 1 341.499 2.072 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCc1ccc(C)cc1 ZINC001754312665 1406890097 /nfs/dbraw/zinc/89/00/97/1406890097.db2.gz FCKXTRQNISKKJE-ICSRJNTNSA-N 2 1 341.499 2.072 20 30 EEEDMP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001402137468 1397788409 /nfs/dbraw/zinc/78/84/09/1397788409.db2.gz RPXHDAASIIMENZ-DOTOQJQBSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001402137468 1397788412 /nfs/dbraw/zinc/78/84/12/1397788412.db2.gz RPXHDAASIIMENZ-DOTOQJQBSA-N 2 1 334.489 2.041 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001402983743 1398305598 /nfs/dbraw/zinc/30/55/98/1398305598.db2.gz XNGQFOBEXIBEEV-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001402983743 1398305609 /nfs/dbraw/zinc/30/56/09/1398305609.db2.gz XNGQFOBEXIBEEV-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001402983743 1398305616 /nfs/dbraw/zinc/30/56/16/1398305616.db2.gz XNGQFOBEXIBEEV-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001403235477 1398493318 /nfs/dbraw/zinc/49/33/18/1398493318.db2.gz CTCRCZNTGFPAOO-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP C=CC[NH2+]C1(CC)CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001755068813 1407078855 /nfs/dbraw/zinc/07/88/55/1407078855.db2.gz FLHWYOHCWRIKFA-KRWDZBQOSA-N 2 1 345.491 2.337 20 30 EEEDMP C=CC[NH2+]C1(CC)CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001755068813 1407078859 /nfs/dbraw/zinc/07/88/59/1407078859.db2.gz FLHWYOHCWRIKFA-KRWDZBQOSA-N 2 1 345.491 2.337 20 30 EEEDMP C[C@@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)C12CCC[NH+]1CCC2 ZINC001422859045 1400232716 /nfs/dbraw/zinc/23/27/16/1400232716.db2.gz RYFGDJLAEUWHIU-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)C12CCC[NH+]1CCC2 ZINC001422859045 1400232718 /nfs/dbraw/zinc/23/27/18/1400232718.db2.gz RYFGDJLAEUWHIU-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001423528765 1400622179 /nfs/dbraw/zinc/62/21/79/1400622179.db2.gz YWHRYGGQDXWTTO-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001425979074 1401827882 /nfs/dbraw/zinc/82/78/82/1401827882.db2.gz XVLOJPGEYFMGGM-QFBILLFUSA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001755445747 1407459500 /nfs/dbraw/zinc/45/95/00/1407459500.db2.gz QEOCZLKHFSBSBR-IAGOWNOFSA-N 2 1 339.524 2.136 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001755507496 1407556025 /nfs/dbraw/zinc/55/60/25/1407556025.db2.gz FLGJARYEJHKHMK-OAHLLOKOSA-N 2 1 339.443 2.138 20 30 EEEDMP C=CC[NH+]1CCC(C2(NC(=O)CCCC[NH+]3CCOCC3)CC2)CC1 ZINC001755870009 1407922637 /nfs/dbraw/zinc/92/26/37/1407922637.db2.gz UOVVLFUTNYFXFM-UHFFFAOYSA-N 2 1 349.519 2.036 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001115108858 1410971546 /nfs/dbraw/zinc/97/15/46/1410971546.db2.gz QLJALGBTQNBDCM-PXCRPINLSA-N 2 1 341.499 2.476 20 30 EEEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001167232443 757535434 /nfs/dbraw/zinc/53/54/34/757535434.db2.gz CQGPAQBYFZNARG-IBGZPJMESA-N 2 1 337.483 2.098 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001167627921 760770156 /nfs/dbraw/zinc/77/01/56/760770156.db2.gz UUMGXMAQPFFWMB-FQEVSTJZSA-N 2 1 341.499 2.397 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001167639525 760802541 /nfs/dbraw/zinc/80/25/41/760802541.db2.gz AKEWBPIQIXESNG-UHFFFAOYSA-N 2 1 342.487 2.276 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461818 760941065 /nfs/dbraw/zinc/94/10/65/760941065.db2.gz SCGPQSMNYYOEOS-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461818 760941070 /nfs/dbraw/zinc/94/10/70/760941070.db2.gz SCGPQSMNYYOEOS-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461818 760941072 /nfs/dbraw/zinc/94/10/72/760941072.db2.gz SCGPQSMNYYOEOS-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CC=C)[C@H]3C2(C)C)CC1 ZINC001087317317 761613201 /nfs/dbraw/zinc/61/32/01/761613201.db2.gz GRCCSJHQQZMVOB-GUDVDZBRSA-N 2 1 343.515 2.123 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104753470 765200949 /nfs/dbraw/zinc/20/09/49/765200949.db2.gz BZNXEUYVRVYPEI-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089537419 770150347 /nfs/dbraw/zinc/15/03/47/770150347.db2.gz LVBFUAIKYJEKIW-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000995260535 782894426 /nfs/dbraw/zinc/89/44/26/782894426.db2.gz RQJNFAADRIWNDH-MOPGFXCFSA-N 2 1 342.487 2.012 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000995260535 782894430 /nfs/dbraw/zinc/89/44/30/782894430.db2.gz RQJNFAADRIWNDH-MOPGFXCFSA-N 2 1 342.487 2.012 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000995260535 782894440 /nfs/dbraw/zinc/89/44/40/782894440.db2.gz RQJNFAADRIWNDH-MOPGFXCFSA-N 2 1 342.487 2.012 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106767 782921528 /nfs/dbraw/zinc/92/15/28/782921528.db2.gz PXHVNCCBDNIRCV-FUHIMQAGSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106767 782921531 /nfs/dbraw/zinc/92/15/31/782921531.db2.gz PXHVNCCBDNIRCV-FUHIMQAGSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106767 782921539 /nfs/dbraw/zinc/92/15/39/782921539.db2.gz PXHVNCCBDNIRCV-FUHIMQAGSA-N 2 1 349.494 2.003 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107246 782921575 /nfs/dbraw/zinc/92/15/75/782921575.db2.gz OLFCAIHBYBYPLJ-KSZLIROESA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107246 782921579 /nfs/dbraw/zinc/92/15/79/782921579.db2.gz OLFCAIHBYBYPLJ-KSZLIROESA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC000980081059 773836209 /nfs/dbraw/zinc/83/62/09/773836209.db2.gz DCZIGLUWNJOUDZ-JYJNAYRXSA-N 2 1 346.475 2.143 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC000980081059 773836213 /nfs/dbraw/zinc/83/62/13/773836213.db2.gz DCZIGLUWNJOUDZ-JYJNAYRXSA-N 2 1 346.475 2.143 20 30 EEEDMP CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001089660834 774047393 /nfs/dbraw/zinc/04/73/93/774047393.db2.gz QGEXHGLASOIQJI-IAGOWNOFSA-N 2 1 342.487 2.076 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCC=C)C[C@@H]3C2)CC1 ZINC000980258517 774204063 /nfs/dbraw/zinc/20/40/63/774204063.db2.gz WJJXBNWMCSUSBI-HSALFYBXSA-N 2 1 343.515 2.124 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089839510 777551848 /nfs/dbraw/zinc/55/18/48/777551848.db2.gz UNNFYDVNELEKQK-YVSFHVDLSA-N 2 1 348.878 2.113 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089839510 777551853 /nfs/dbraw/zinc/55/18/53/777551853.db2.gz UNNFYDVNELEKQK-YVSFHVDLSA-N 2 1 348.878 2.113 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000981962880 778690626 /nfs/dbraw/zinc/69/06/26/778690626.db2.gz ABCGFHXZRKJOSV-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000981962880 778690628 /nfs/dbraw/zinc/69/06/28/778690628.db2.gz ABCGFHXZRKJOSV-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982234980 779306144 /nfs/dbraw/zinc/30/61/44/779306144.db2.gz FWCZTCXEVPLQSW-OIISXLGYSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982234980 779306148 /nfs/dbraw/zinc/30/61/48/779306148.db2.gz FWCZTCXEVPLQSW-OIISXLGYSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234980 779306152 /nfs/dbraw/zinc/30/61/52/779306152.db2.gz FWCZTCXEVPLQSW-OIISXLGYSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234980 779306156 /nfs/dbraw/zinc/30/61/56/779306156.db2.gz FWCZTCXEVPLQSW-OIISXLGYSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226375 779394231 /nfs/dbraw/zinc/39/42/31/779394231.db2.gz JLKVAMCJOSTCKF-QGZVFWFLSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226375 779394238 /nfs/dbraw/zinc/39/42/38/779394238.db2.gz JLKVAMCJOSTCKF-QGZVFWFLSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333222 779751478 /nfs/dbraw/zinc/75/14/78/779751478.db2.gz WMBYAUHOMIPNNN-NRSPTQNISA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333222 779751481 /nfs/dbraw/zinc/75/14/81/779751481.db2.gz WMBYAUHOMIPNNN-NRSPTQNISA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333222 779751483 /nfs/dbraw/zinc/75/14/83/779751483.db2.gz WMBYAUHOMIPNNN-NRSPTQNISA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793554 781606945 /nfs/dbraw/zinc/60/69/45/781606945.db2.gz IYTWDUOJNRGIBE-YQVWRLOYSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793554 781606950 /nfs/dbraw/zinc/60/69/50/781606950.db2.gz IYTWDUOJNRGIBE-YQVWRLOYSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793554 781606955 /nfs/dbraw/zinc/60/69/55/781606955.db2.gz IYTWDUOJNRGIBE-YQVWRLOYSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CC2 ZINC001035225856 784110668 /nfs/dbraw/zinc/11/06/68/784110668.db2.gz BIGGFSXGMGVGLC-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CC2 ZINC001035225856 784110673 /nfs/dbraw/zinc/11/06/73/784110673.db2.gz BIGGFSXGMGVGLC-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@H+](CCC=C)C3)CC2)CC1 ZINC001035257212 784206846 /nfs/dbraw/zinc/20/68/46/784206846.db2.gz SLHSGRIPKINQNX-UHFFFAOYSA-N 2 1 343.515 2.222 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135882299 784668060 /nfs/dbraw/zinc/66/80/60/784668060.db2.gz KHPYJBOSJGMGBZ-JKSUJKDBSA-N 2 1 330.476 2.273 20 30 EEEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035838243 785262064 /nfs/dbraw/zinc/26/20/64/785262064.db2.gz WBEPKRGRVDENFZ-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859478 788823829 /nfs/dbraw/zinc/82/38/29/788823829.db2.gz WQBMCTFVZBAZFQ-ZRNYENFQSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH2+]C)C2)c(OC)c1 ZINC000923282306 789294336 /nfs/dbraw/zinc/29/43/36/789294336.db2.gz MLISTRXBDRVYKE-ROUUACIJSA-N 2 1 348.487 2.095 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)c(OC)c1 ZINC000923282306 789294341 /nfs/dbraw/zinc/29/43/41/789294341.db2.gz MLISTRXBDRVYKE-ROUUACIJSA-N 2 1 348.487 2.095 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001089908409 789776213 /nfs/dbraw/zinc/77/62/13/789776213.db2.gz BDXPKYATVVEMNV-MUGJNUQGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1=CCCCC1 ZINC001032453926 789840342 /nfs/dbraw/zinc/84/03/42/789840342.db2.gz VKZFKXCGKQWEOV-UFYCRDLUSA-N 2 1 341.499 2.260 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1=CCCCC1 ZINC001032453926 789840346 /nfs/dbraw/zinc/84/03/46/789840346.db2.gz VKZFKXCGKQWEOV-UFYCRDLUSA-N 2 1 341.499 2.260 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1 ZINC001032453926 789840350 /nfs/dbraw/zinc/84/03/50/789840350.db2.gz VKZFKXCGKQWEOV-UFYCRDLUSA-N 2 1 341.499 2.260 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1=CCCCC1 ZINC001032453926 789840352 /nfs/dbraw/zinc/84/03/52/789840352.db2.gz VKZFKXCGKQWEOV-UFYCRDLUSA-N 2 1 341.499 2.260 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573164 791873412 /nfs/dbraw/zinc/87/34/12/791873412.db2.gz VATYWCCITXUWPJ-SJLPKXTDSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677202 792148185 /nfs/dbraw/zinc/14/81/85/792148185.db2.gz MCKZAJYPBDSDRK-GGPKGHCWSA-N 2 1 331.504 2.075 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(CC)CC)C[C@@]2(C)C1 ZINC001091749303 792703836 /nfs/dbraw/zinc/70/38/36/792703836.db2.gz IQLLBUDOIBHBQL-DYXWJJEUSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(CC)CC)C[C@@]2(C)C1 ZINC001091749303 792703845 /nfs/dbraw/zinc/70/38/45/792703845.db2.gz IQLLBUDOIBHBQL-DYXWJJEUSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(CC)CC)C[C@@]2(C)C1 ZINC001091749303 792703853 /nfs/dbraw/zinc/70/38/53/792703853.db2.gz IQLLBUDOIBHBQL-DYXWJJEUSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(CC)CC)C[C@@]2(C)C1 ZINC001091749303 792703861 /nfs/dbraw/zinc/70/38/61/792703861.db2.gz IQLLBUDOIBHBQL-DYXWJJEUSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3cc(C[NH+](C)C)on3)C2)CC1 ZINC001086929479 793056272 /nfs/dbraw/zinc/05/62/72/793056272.db2.gz JDBCYDMHWLRXIU-OAHLLOKOSA-N 2 1 346.475 2.239 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303215 793779064 /nfs/dbraw/zinc/77/90/64/793779064.db2.gz ZUDGJTFVIGKALM-DYXWJJEUSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC2(CCOCC2)C1 ZINC001089941974 794271102 /nfs/dbraw/zinc/27/11/02/794271102.db2.gz NMPDZKGPHSZGQN-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC2(CCOCC2)C1 ZINC001089941974 794271106 /nfs/dbraw/zinc/27/11/06/794271106.db2.gz NMPDZKGPHSZGQN-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC2(CCOCC2)C1 ZINC001089941974 794271113 /nfs/dbraw/zinc/27/11/13/794271113.db2.gz NMPDZKGPHSZGQN-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999506527 794557243 /nfs/dbraw/zinc/55/72/43/794557243.db2.gz BNVOJFUPZMDXSJ-PBHICJAKSA-N 2 1 346.500 2.185 20 30 EEEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[C@H]1CC[N@H+](C)C1)CCO2 ZINC001093412240 795153593 /nfs/dbraw/zinc/15/35/93/795153593.db2.gz YUVRAHXMPOYYMS-PGYGNJIDSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036841662 795423449 /nfs/dbraw/zinc/42/34/49/795423449.db2.gz BIHQQERADVXJNG-WOJBJXKFSA-N 2 1 339.483 2.308 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCO[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108033955 796066906 /nfs/dbraw/zinc/06/69/06/796066906.db2.gz PSIZERCYSPNENR-APWZRJJASA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108033955 796066913 /nfs/dbraw/zinc/06/69/13/796066913.db2.gz PSIZERCYSPNENR-APWZRJJASA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108033955 796066920 /nfs/dbraw/zinc/06/69/20/796066920.db2.gz PSIZERCYSPNENR-APWZRJJASA-N 2 1 339.524 2.279 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203453176 796295242 /nfs/dbraw/zinc/29/52/42/796295242.db2.gz RNDQGINYDJVGBR-CVEARBPZSA-N 2 1 328.460 2.047 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCCC)C2)CC1 ZINC001036901964 796439251 /nfs/dbraw/zinc/43/92/51/796439251.db2.gz BLXLKPHQYMFQGW-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C/C=C\Cl)C2)CC1 ZINC001036904549 796447652 /nfs/dbraw/zinc/44/76/52/796447652.db2.gz UAUWWYGGPOHBJX-LDSUWCTBSA-N 2 1 349.906 2.007 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174913981 797929599 /nfs/dbraw/zinc/92/95/99/797929599.db2.gz VRHNASWMJXMTJZ-ROUUACIJSA-N 2 1 339.524 2.326 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174913981 797929603 /nfs/dbraw/zinc/92/96/03/797929603.db2.gz VRHNASWMJXMTJZ-ROUUACIJSA-N 2 1 339.524 2.326 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)CC1 ZINC000917098112 798076105 /nfs/dbraw/zinc/07/61/05/798076105.db2.gz RUNKTWLBSIEIPW-GOSISDBHSA-N 2 1 336.524 2.399 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)C)[C@@H]2C)CC1 ZINC000994504678 798104057 /nfs/dbraw/zinc/10/40/57/798104057.db2.gz XWGLXKUVCIZRIK-IEBWSBKVSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564586 798498219 /nfs/dbraw/zinc/49/82/19/798498219.db2.gz RAARXCPEDJZAID-KGLIPLIRSA-N 2 1 346.313 2.111 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC4CCCC4)C[C@H]32)CC1 ZINC001084850088 798503626 /nfs/dbraw/zinc/50/36/26/798503626.db2.gz JMOOVXVAPRSWKF-WOJBJXKFSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176819545 798584495 /nfs/dbraw/zinc/58/44/95/798584495.db2.gz CCCMLBPBFGMLRX-SFHVURJKSA-N 2 1 329.488 2.406 20 30 EEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176819545 798584498 /nfs/dbraw/zinc/58/44/98/798584498.db2.gz CCCMLBPBFGMLRX-SFHVURJKSA-N 2 1 329.488 2.406 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176986407 798675479 /nfs/dbraw/zinc/67/54/79/798675479.db2.gz NHEMPWDKYJXDOX-GOSISDBHSA-N 2 1 328.460 2.029 20 30 EEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178534993 799512548 /nfs/dbraw/zinc/51/25/48/799512548.db2.gz FERJAQQFUQOGAL-QZTJIDSGSA-N 2 1 337.508 2.082 20 30 EEEDMP C=CCC[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003627056 799913444 /nfs/dbraw/zinc/91/34/44/799913444.db2.gz BQBMYIKFBPPRCP-SFHVURJKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001179823909 800136041 /nfs/dbraw/zinc/13/60/41/800136041.db2.gz HYVYHSMVSZWQDO-UHFFFAOYSA-N 2 1 339.524 2.331 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001003892405 800440520 /nfs/dbraw/zinc/44/05/20/800440520.db2.gz MZGBXXBTSDNGQX-UHFFFAOYSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003967204 800675953 /nfs/dbraw/zinc/67/59/53/800675953.db2.gz JFZYXVLVFIETSA-GDBMZVCRSA-N 2 1 327.900 2.440 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001181721055 800879553 /nfs/dbraw/zinc/87/95/53/800879553.db2.gz WLNKGAXZPHCHMT-WSTZPKSXSA-N 2 1 333.520 2.062 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C ZINC001085646789 800952828 /nfs/dbraw/zinc/95/28/28/800952828.db2.gz PYLXNBBBOUKIIJ-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001183137955 801493489 /nfs/dbraw/zinc/49/34/89/801493489.db2.gz LRXUFZFAUHHBEC-SLYNCCJLSA-N 2 1 341.499 2.387 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086085485 802106203 /nfs/dbraw/zinc/10/62/03/802106203.db2.gz HNACMYFOXFNTIT-JONQDZQNSA-N 2 1 325.884 2.098 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004459315 802125201 /nfs/dbraw/zinc/12/52/01/802125201.db2.gz PLPHYTRWFMFOAU-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004459315 802125204 /nfs/dbraw/zinc/12/52/04/802125204.db2.gz PLPHYTRWFMFOAU-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004459315 802125208 /nfs/dbraw/zinc/12/52/08/802125208.db2.gz PLPHYTRWFMFOAU-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](F)CC)C[C@H]2CC1 ZINC000946628149 802367514 /nfs/dbraw/zinc/36/75/14/802367514.db2.gz JHZQUCACEIMUKM-RDGPPVDQSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H](F)CC)C[C@H]2CC1 ZINC000946628149 802367524 /nfs/dbraw/zinc/36/75/24/802367524.db2.gz JHZQUCACEIMUKM-RDGPPVDQSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](F)CC)C[C@H]2CC1 ZINC000946628149 802367532 /nfs/dbraw/zinc/36/75/32/802367532.db2.gz JHZQUCACEIMUKM-RDGPPVDQSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](F)CC)C[C@H]2CC1 ZINC000946628149 802367541 /nfs/dbraw/zinc/36/75/41/802367541.db2.gz JHZQUCACEIMUKM-RDGPPVDQSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](F)CC)C[C@H]2CC1 ZINC000946628149 802367549 /nfs/dbraw/zinc/36/75/49/802367549.db2.gz JHZQUCACEIMUKM-RDGPPVDQSA-N 2 1 349.494 2.003 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349473 803336406 /nfs/dbraw/zinc/33/64/06/803336406.db2.gz HDYAZSFSNXRNPK-MJGOQNOKSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108345012 803342382 /nfs/dbraw/zinc/34/23/82/803342382.db2.gz WMBLCICJPFNKTO-LJQANCHMSA-N 2 1 349.519 2.036 20 30 EEEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169989810 805181307 /nfs/dbraw/zinc/18/13/07/805181307.db2.gz CUYSSRURACLSDG-MSOLQXFVSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169989810 805181314 /nfs/dbraw/zinc/18/13/14/805181314.db2.gz CUYSSRURACLSDG-MSOLQXFVSA-N 2 1 339.524 2.328 20 30 EEEDMP N#CCCCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826381268 948177756 /nfs/dbraw/zinc/17/77/56/948177756.db2.gz DXWRWJFJKFFWOL-UHFFFAOYSA-N 2 1 339.447 2.115 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001442198555 1096477812 /nfs/dbraw/zinc/47/78/12/1096477812.db2.gz HAPHTQIIXGLJSC-LSDHHAIUSA-N 2 1 348.516 2.479 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001495205077 1100885872 /nfs/dbraw/zinc/88/58/72/1100885872.db2.gz SMQDXHDTXPLSBL-UHFFFAOYSA-N 2 1 342.487 2.419 20 30 EEEDMP C[N@H+]1CCCC12CCN(CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000377200521 154083239 /nfs/dbraw/zinc/08/32/39/154083239.db2.gz YRQIYOOXNJTIAD-UHFFFAOYSA-N 2 1 326.444 2.447 20 30 EEEDMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000377200521 154083242 /nfs/dbraw/zinc/08/32/42/154083242.db2.gz YRQIYOOXNJTIAD-UHFFFAOYSA-N 2 1 326.444 2.447 20 30 EEEDMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000377200521 154083245 /nfs/dbraw/zinc/08/32/45/154083245.db2.gz YRQIYOOXNJTIAD-UHFFFAOYSA-N 2 1 326.444 2.447 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131928739 292395075 /nfs/dbraw/zinc/39/50/75/292395075.db2.gz KGLVLFSHCVPWEU-KRWDZBQOSA-N 2 1 339.395 2.494 20 30 EEEDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000248058996 160336894 /nfs/dbraw/zinc/33/68/94/160336894.db2.gz XYLRPKKMYXKSDF-HUUCEWRRSA-N 2 1 332.473 2.364 20 30 EEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000248058996 160336896 /nfs/dbraw/zinc/33/68/96/160336896.db2.gz XYLRPKKMYXKSDF-HUUCEWRRSA-N 2 1 332.473 2.364 20 30 EEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000248058996 160336898 /nfs/dbraw/zinc/33/68/98/160336898.db2.gz XYLRPKKMYXKSDF-HUUCEWRRSA-N 2 1 332.473 2.364 20 30 EEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000248058996 160336899 /nfs/dbraw/zinc/33/68/99/160336899.db2.gz XYLRPKKMYXKSDF-HUUCEWRRSA-N 2 1 332.473 2.364 20 30 EEEDMP CCC[N@@H+](CCOc1cccc(C#N)c1)CCN1CC[NH+](CC)CC1 ZINC000344125553 161200397 /nfs/dbraw/zinc/20/03/97/161200397.db2.gz IAKIRJDERYSYOJ-UHFFFAOYSA-N 2 1 344.503 2.287 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)c(C#N)c1 ZINC000286474416 266148021 /nfs/dbraw/zinc/14/80/21/266148021.db2.gz PLHFGRIRUKEGSO-KRWDZBQOSA-N 2 1 346.450 2.185 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000066921176 462946082 /nfs/dbraw/zinc/94/60/82/462946082.db2.gz BBZPFIMWTWVIFR-UHFFFAOYSA-N 2 1 345.531 2.446 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C#N)c1 ZINC000058223668 463555606 /nfs/dbraw/zinc/55/56/06/463555606.db2.gz QLDGTXRWSWHIMZ-GOSISDBHSA-N 2 1 343.475 2.438 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1csc(Br)c1 ZINC000261969069 463913497 /nfs/dbraw/zinc/91/34/97/463913497.db2.gz CJBYUQXDGGEBAX-NSHDSACASA-N 2 1 345.310 2.399 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268099610 464949444 /nfs/dbraw/zinc/94/94/44/464949444.db2.gz WHULKCAGEHHUTQ-ZDUSSCGKSA-N 2 1 339.827 2.137 20 30 EEEDMP C=CCOCCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000348040504 465388154 /nfs/dbraw/zinc/38/81/54/465388154.db2.gz DOBMQRAMZXNXPR-ROUUACIJSA-N 2 1 340.508 2.169 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1C ZINC000329687589 465405988 /nfs/dbraw/zinc/40/59/88/465405988.db2.gz BJDMPCLFLPFXPA-NVXWUHKLSA-N 2 1 345.491 2.032 20 30 EEEDMP O=C(N[C@H]1CCn2ccnc2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000330243086 465583086 /nfs/dbraw/zinc/58/30/86/465583086.db2.gz CJXFJXAZKSKEIG-KRWDZBQOSA-N 2 1 345.491 2.310 20 30 EEEDMP C#CCOc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378368919 467281404 /nfs/dbraw/zinc/28/14/04/467281404.db2.gz HYWBWSXRBVGEDX-CMKODMSKSA-N 2 1 328.456 2.382 20 30 EEEDMP C#CCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378368919 467281408 /nfs/dbraw/zinc/28/14/08/467281408.db2.gz HYWBWSXRBVGEDX-CMKODMSKSA-N 2 1 328.456 2.382 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000497116383 467841808 /nfs/dbraw/zinc/84/18/08/467841808.db2.gz MTSIYBZZXJVTHW-KXBFYZLASA-N 2 1 335.492 2.483 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000566615052 468155592 /nfs/dbraw/zinc/15/55/92/468155592.db2.gz DYBITYYSQXOENB-QGZVFWFLSA-N 2 1 338.879 2.458 20 30 EEEDMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000592018503 468598258 /nfs/dbraw/zinc/59/82/58/468598258.db2.gz UMMVXDQLOMNVHQ-SFHVURJKSA-N 2 1 328.460 2.051 20 30 EEEDMP C[C@@H]([NH2+]C1CCN(CC#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611564137 469280509 /nfs/dbraw/zinc/28/05/09/469280509.db2.gz NGOBTFDOPDCZBB-IEBWSBKVSA-N 2 1 326.488 2.475 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H]1C ZINC000610137453 469982885 /nfs/dbraw/zinc/98/28/85/469982885.db2.gz KWASMKCIXMMYFA-NZSAHSFTSA-N 2 1 345.487 2.297 20 30 EEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H]1C ZINC000610137453 469982887 /nfs/dbraw/zinc/98/28/87/469982887.db2.gz KWASMKCIXMMYFA-NZSAHSFTSA-N 2 1 345.487 2.297 20 30 EEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H]1C ZINC000610137453 469982889 /nfs/dbraw/zinc/98/28/89/469982889.db2.gz KWASMKCIXMMYFA-NZSAHSFTSA-N 2 1 345.487 2.297 20 30 EEEDMP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174155705 527028241 /nfs/dbraw/zinc/02/82/41/527028241.db2.gz GLYKAMVSBWPPJW-INIZCTEOSA-N 2 1 339.439 2.139 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001021636831 676292096 /nfs/dbraw/zinc/29/20/96/676292096.db2.gz TYPJVDRZDRZSAS-FUHWJXTLSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001021636831 676292098 /nfs/dbraw/zinc/29/20/98/676292098.db2.gz TYPJVDRZDRZSAS-FUHWJXTLSA-N 2 1 342.487 2.261 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC000971703645 676748024 /nfs/dbraw/zinc/74/80/24/676748024.db2.gz KLEBRHNADULXRP-OALUTQOASA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC000971703645 676748026 /nfs/dbraw/zinc/74/80/26/676748026.db2.gz KLEBRHNADULXRP-OALUTQOASA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC000971703645 676748028 /nfs/dbraw/zinc/74/80/28/676748028.db2.gz KLEBRHNADULXRP-OALUTQOASA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC000971703645 676748030 /nfs/dbraw/zinc/74/80/30/676748030.db2.gz KLEBRHNADULXRP-OALUTQOASA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC000971704566 676748406 /nfs/dbraw/zinc/74/84/06/676748406.db2.gz TWCPWVOHLMGALX-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC000971704566 676748410 /nfs/dbraw/zinc/74/84/10/676748410.db2.gz TWCPWVOHLMGALX-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cccc(C)c2)C1 ZINC000971704566 676748411 /nfs/dbraw/zinc/74/84/11/676748411.db2.gz TWCPWVOHLMGALX-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cccc(C)c2)C1 ZINC000971704566 676748413 /nfs/dbraw/zinc/74/84/13/676748413.db2.gz TWCPWVOHLMGALX-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000104154167 678005526 /nfs/dbraw/zinc/00/55/26/678005526.db2.gz ZZOZZGXJOYEVFU-GOSISDBHSA-N 2 1 348.491 2.163 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001026892918 685258449 /nfs/dbraw/zinc/25/84/49/685258449.db2.gz DUPXMVSYOLWPPQ-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001026892918 685258454 /nfs/dbraw/zinc/25/84/54/685258454.db2.gz DUPXMVSYOLWPPQ-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP CCC[C@]1(C)CCCN(C(NC[C@@H]2C[N@@H+](C)CCN2C)=[NH+]CC)C1 ZINC000261795881 681398653 /nfs/dbraw/zinc/39/86/53/681398653.db2.gz GNGRDLTUETZPON-IEBWSBKVSA-N 2 1 337.556 2.100 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC(C)C)CC1 ZINC001024812424 681465729 /nfs/dbraw/zinc/46/57/29/681465729.db2.gz OSTMLZFHKNCRAT-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001024900410 681557330 /nfs/dbraw/zinc/55/73/30/681557330.db2.gz DGCSOJMORJVFEZ-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982617582 681789402 /nfs/dbraw/zinc/78/94/02/681789402.db2.gz OKNSWWIWBRCXBN-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982624857 681836035 /nfs/dbraw/zinc/83/60/35/681836035.db2.gz UDSUKVLPBNOURT-SESVDKBCSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982624857 681836039 /nfs/dbraw/zinc/83/60/39/681836039.db2.gz UDSUKVLPBNOURT-SESVDKBCSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982624857 681836045 /nfs/dbraw/zinc/83/60/45/681836045.db2.gz UDSUKVLPBNOURT-SESVDKBCSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025253978 682343053 /nfs/dbraw/zinc/34/30/53/682343053.db2.gz YSUKLSGYKQGDKA-MOPGFXCFSA-N 2 1 336.439 2.427 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC000984047270 684017289 /nfs/dbraw/zinc/01/72/89/684017289.db2.gz JPOHPHLHXNBEIL-ATZDWAIDSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC000978705421 693821595 /nfs/dbraw/zinc/82/15/95/693821595.db2.gz BOHXKXUYMBVYOO-OWZKRDHZSA-N 2 1 341.499 2.274 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC000978730075 693850975 /nfs/dbraw/zinc/85/09/75/693850975.db2.gz BDNHGHBIJHGSFR-DSLXNQLJSA-N 2 1 342.487 2.014 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC000978730075 693850979 /nfs/dbraw/zinc/85/09/79/693850979.db2.gz BDNHGHBIJHGSFR-DSLXNQLJSA-N 2 1 342.487 2.014 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]12 ZINC001026368339 684462502 /nfs/dbraw/zinc/46/25/02/684462502.db2.gz OEZZBCTZFDFDGS-BRWVUGGUSA-N 2 1 330.476 2.409 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000987269753 689563930 /nfs/dbraw/zinc/56/39/30/689563930.db2.gz TVDBIPPPBSOIRH-RHSMWYFYSA-N 2 1 325.416 2.036 20 30 EEEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977662567 692898315 /nfs/dbraw/zinc/89/83/15/692898315.db2.gz PIAGXHCGPLDWMT-QGZVFWFLSA-N 2 1 331.460 2.195 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977662567 692898319 /nfs/dbraw/zinc/89/83/19/692898319.db2.gz PIAGXHCGPLDWMT-QGZVFWFLSA-N 2 1 331.460 2.195 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(=C)C)C[C@H]2C)CC1 ZINC000945177595 1193413816 /nfs/dbraw/zinc/41/38/16/1193413816.db2.gz BKFOCKMKKHRLNE-MJGOQNOKSA-N 2 1 331.504 2.124 20 30 EEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001088405767 1186812561 /nfs/dbraw/zinc/81/25/61/1186812561.db2.gz GLGZBIKFKCKINN-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001105485504 1188102346 /nfs/dbraw/zinc/10/23/46/1188102346.db2.gz KYGVLHLZWGRNKX-UHFFFAOYSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366458 1194481696 /nfs/dbraw/zinc/48/16/96/1194481696.db2.gz QRIGJXGMXBQCPN-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366458 1194481700 /nfs/dbraw/zinc/48/17/00/1194481700.db2.gz QRIGJXGMXBQCPN-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033414817 1194534508 /nfs/dbraw/zinc/53/45/08/1194534508.db2.gz FFVPELLPDJVHIS-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033414817 1194534512 /nfs/dbraw/zinc/53/45/12/1194534512.db2.gz FFVPELLPDJVHIS-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033414817 1194534514 /nfs/dbraw/zinc/53/45/14/1194534514.db2.gz FFVPELLPDJVHIS-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001033423688 1194559903 /nfs/dbraw/zinc/55/99/03/1194559903.db2.gz UHQLKRATGPUDBI-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033423688 1194559905 /nfs/dbraw/zinc/55/99/05/1194559905.db2.gz UHQLKRATGPUDBI-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033423688 1194559908 /nfs/dbraw/zinc/55/99/08/1194559908.db2.gz UHQLKRATGPUDBI-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990245 1195607841 /nfs/dbraw/zinc/60/78/41/1195607841.db2.gz SYFMOLNSHKPNGR-IBGZPJMESA-N 2 1 327.472 2.308 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248824 1195983306 /nfs/dbraw/zinc/98/33/06/1195983306.db2.gz FYKZFLIYEPUYDB-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248824 1195983308 /nfs/dbraw/zinc/98/33/08/1195983308.db2.gz FYKZFLIYEPUYDB-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248824 1195983310 /nfs/dbraw/zinc/98/33/10/1195983310.db2.gz FYKZFLIYEPUYDB-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398957 1196190245 /nfs/dbraw/zinc/19/02/45/1196190245.db2.gz PRVZYKYONIODRD-VQIMIIECSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398957 1196190248 /nfs/dbraw/zinc/19/02/48/1196190248.db2.gz PRVZYKYONIODRD-VQIMIIECSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398957 1196190249 /nfs/dbraw/zinc/19/02/49/1196190249.db2.gz PRVZYKYONIODRD-VQIMIIECSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC=C(C)C)C2)CC1 ZINC001034537380 1196356988 /nfs/dbraw/zinc/35/69/88/1196356988.db2.gz AZTZXBPMJOYNIZ-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1cccc(C#N)c1 ZINC001132266754 1199506338 /nfs/dbraw/zinc/50/63/38/1199506338.db2.gz ZQKXQEPGDMHCQP-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525746 1199821582 /nfs/dbraw/zinc/82/15/82/1199821582.db2.gz UZRAASFHHGXNGZ-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP CCCOc1cccc(CCNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000135109617 1202338093 /nfs/dbraw/zinc/33/80/93/1202338093.db2.gz OMDFWCXGCNCNAT-QGZVFWFLSA-N 2 1 332.492 2.407 20 30 EEEDMP COc1ccc([C@H](CNC(=[NH2+])N2CCSCC2)[NH+]2CCCC2)cc1 ZINC000104154176 1204610638 /nfs/dbraw/zinc/61/06/38/1204610638.db2.gz ILGVREHZERDZHI-KRWDZBQOSA-N 2 1 348.516 2.196 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095417293 1205719156 /nfs/dbraw/zinc/71/91/56/1205719156.db2.gz MHXWSUXENMTBPP-LMCOJAPRSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001095417293 1205719157 /nfs/dbraw/zinc/71/91/57/1205719157.db2.gz MHXWSUXENMTBPP-LMCOJAPRSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001095417293 1205719158 /nfs/dbraw/zinc/71/91/58/1205719158.db2.gz MHXWSUXENMTBPP-LMCOJAPRSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC001095556237 1205872852 /nfs/dbraw/zinc/87/28/52/1205872852.db2.gz GTDHXPPCDVJLRD-FYQPLNBISA-N 2 1 337.467 2.006 20 30 EEEDMP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000948898450 1209443397 /nfs/dbraw/zinc/44/33/97/1209443397.db2.gz IVCLDARMCWPMEK-MOPGFXCFSA-N 2 1 327.472 2.372 20 30 EEEDMP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948898450 1209443398 /nfs/dbraw/zinc/44/33/98/1209443398.db2.gz IVCLDARMCWPMEK-MOPGFXCFSA-N 2 1 327.472 2.372 20 30 EEEDMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948898450 1209443399 /nfs/dbraw/zinc/44/33/99/1209443399.db2.gz IVCLDARMCWPMEK-MOPGFXCFSA-N 2 1 327.472 2.372 20 30 EEEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949388481 1209662348 /nfs/dbraw/zinc/66/23/48/1209662348.db2.gz BCNVBSYPZDHQSF-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949388481 1209662350 /nfs/dbraw/zinc/66/23/50/1209662350.db2.gz BCNVBSYPZDHQSF-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949388481 1209662351 /nfs/dbraw/zinc/66/23/51/1209662351.db2.gz BCNVBSYPZDHQSF-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC001114499677 1212139937 /nfs/dbraw/zinc/13/99/37/1212139937.db2.gz UWGVEZNWXMXRFQ-VQFNDLOPSA-N 2 1 346.475 2.143 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC001114499677 1212139940 /nfs/dbraw/zinc/13/99/40/1212139940.db2.gz UWGVEZNWXMXRFQ-VQFNDLOPSA-N 2 1 346.475 2.143 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957636107 1215281400 /nfs/dbraw/zinc/28/14/00/1215281400.db2.gz YJFQBAQHXNDKFS-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000304999400 1216127092 /nfs/dbraw/zinc/12/70/92/1216127092.db2.gz GSPKMDPOYLSOKW-CQSZACIVSA-N 2 1 334.464 2.408 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000960312006 1216486670 /nfs/dbraw/zinc/48/66/70/1216486670.db2.gz DXPBHEFHRJBIRU-NSISKUIASA-N 2 1 339.483 2.256 20 30 EEEDMP C#CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961226614 1217097670 /nfs/dbraw/zinc/09/76/70/1217097670.db2.gz BXTLPGCCWGFIDT-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961226614 1217097674 /nfs/dbraw/zinc/09/76/74/1217097674.db2.gz BXTLPGCCWGFIDT-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961226614 1217097676 /nfs/dbraw/zinc/09/76/76/1217097676.db2.gz BXTLPGCCWGFIDT-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000963426883 1217621035 /nfs/dbraw/zinc/62/10/35/1217621035.db2.gz DDXNKQXDDZODOE-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1CC ZINC001037868597 1219693581 /nfs/dbraw/zinc/69/35/81/1219693581.db2.gz BRXWNHMEQUJNBG-HOCLYGCPSA-N 2 1 334.464 2.143 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416781 1221288083 /nfs/dbraw/zinc/28/80/83/1221288083.db2.gz AYNFAAUEMBQWAT-QFBILLFUSA-N 2 1 327.472 2.212 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928163 1221678847 /nfs/dbraw/zinc/67/88/47/1221678847.db2.gz DHSNPAWMERQJJH-RTBURBONSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928163 1221678856 /nfs/dbraw/zinc/67/88/56/1221678856.db2.gz DHSNPAWMERQJJH-RTBURBONSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000968928163 1221678859 /nfs/dbraw/zinc/67/88/59/1221678859.db2.gz DHSNPAWMERQJJH-RTBURBONSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968990413 1221723541 /nfs/dbraw/zinc/72/35/41/1221723541.db2.gz CVALCFORFWBZHN-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990413 1221723542 /nfs/dbraw/zinc/72/35/42/1221723542.db2.gz CVALCFORFWBZHN-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990413 1221723545 /nfs/dbraw/zinc/72/35/45/1221723545.db2.gz CVALCFORFWBZHN-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968990416 1221723656 /nfs/dbraw/zinc/72/36/56/1221723656.db2.gz CVALCFORFWBZHN-RTBURBONSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990416 1221723660 /nfs/dbraw/zinc/72/36/60/1221723660.db2.gz CVALCFORFWBZHN-RTBURBONSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990416 1221723661 /nfs/dbraw/zinc/72/36/61/1221723661.db2.gz CVALCFORFWBZHN-RTBURBONSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342188 1222182879 /nfs/dbraw/zinc/18/28/79/1222182879.db2.gz FNKPLBIQFSOSII-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008602106 1222955838 /nfs/dbraw/zinc/95/58/38/1222955838.db2.gz HWYPDRKQZQRRKQ-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008602106 1222955841 /nfs/dbraw/zinc/95/58/41/1222955841.db2.gz HWYPDRKQZQRRKQ-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008602106 1222955843 /nfs/dbraw/zinc/95/58/43/1222955843.db2.gz HWYPDRKQZQRRKQ-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001038632601 1226610481 /nfs/dbraw/zinc/61/04/81/1226610481.db2.gz YTUJJSXPTCGTJO-SOUVJXGZSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001016828235 1226908644 /nfs/dbraw/zinc/90/86/44/1226908644.db2.gz DWYIWVSSIFEJAK-LSDHHAIUSA-N 2 1 325.884 2.194 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018836456 1228444125 /nfs/dbraw/zinc/44/41/25/1228444125.db2.gz ADOWIGWRQQXJQH-OALUTQOASA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001039142231 1230359191 /nfs/dbraw/zinc/35/91/91/1230359191.db2.gz IATZWQDNCHLSKE-IBGZPJMESA-N 2 1 343.515 2.056 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001039152409 1230371650 /nfs/dbraw/zinc/37/16/50/1230371650.db2.gz YTTKCCSFJCWUMH-VQTJNVASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039152409 1230371653 /nfs/dbraw/zinc/37/16/53/1230371653.db2.gz YTTKCCSFJCWUMH-VQTJNVASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039152409 1230371659 /nfs/dbraw/zinc/37/16/59/1230371659.db2.gz YTTKCCSFJCWUMH-VQTJNVASSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039238306 1230471913 /nfs/dbraw/zinc/47/19/13/1230471913.db2.gz NBWWOCOQJDFUML-GDBMZVCRSA-N 2 1 336.867 2.408 20 30 EEEDMP C=C(Cl)CN1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039238306 1230471915 /nfs/dbraw/zinc/47/19/15/1230471915.db2.gz NBWWOCOQJDFUML-GDBMZVCRSA-N 2 1 336.867 2.408 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247003 1230482458 /nfs/dbraw/zinc/48/24/58/1230482458.db2.gz SONXBQUCEICNDI-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039289919 1230511426 /nfs/dbraw/zinc/51/14/26/1230511426.db2.gz WIXQDYBCQBYFBQ-MQVJKMGUSA-N 2 1 336.867 2.446 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039448179 1230615956 /nfs/dbraw/zinc/61/59/56/1230615956.db2.gz ZMPYYWMGTSVYFR-QYZOEREBSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039448179 1230615957 /nfs/dbraw/zinc/61/59/57/1230615957.db2.gz ZMPYYWMGTSVYFR-QYZOEREBSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039448179 1230615961 /nfs/dbraw/zinc/61/59/61/1230615961.db2.gz ZMPYYWMGTSVYFR-QYZOEREBSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039448179 1230615964 /nfs/dbraw/zinc/61/59/64/1230615964.db2.gz ZMPYYWMGTSVYFR-QYZOEREBSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039447905 1230615995 /nfs/dbraw/zinc/61/59/95/1230615995.db2.gz OWHUPFMIXPVGJS-QYZOEREBSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039447905 1230615996 /nfs/dbraw/zinc/61/59/96/1230615996.db2.gz OWHUPFMIXPVGJS-QYZOEREBSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039447905 1230615997 /nfs/dbraw/zinc/61/59/97/1230615997.db2.gz OWHUPFMIXPVGJS-QYZOEREBSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001040727582 1231349489 /nfs/dbraw/zinc/34/94/89/1231349489.db2.gz UBFCOVGUVALNBB-KRWDZBQOSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063232 1231862098 /nfs/dbraw/zinc/86/20/98/1231862098.db2.gz SUABWCKJRSAPQV-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042123545 1231904339 /nfs/dbraw/zinc/90/43/39/1231904339.db2.gz SQXYLOIBLKSIOM-VQIMIIECSA-N 2 1 336.439 2.202 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297613 1232012702 /nfs/dbraw/zinc/01/27/02/1232012702.db2.gz RYVIDXCAKWJKOV-HKUYNNGSSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)CN1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001043943908 1232631556 /nfs/dbraw/zinc/63/15/56/1232631556.db2.gz WTKBOMXSYZFFEL-MOPGFXCFSA-N 2 1 327.472 2.051 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC001044792299 1233268874 /nfs/dbraw/zinc/26/88/74/1233268874.db2.gz KFCVREOOPVGGKH-DOTOQJQBSA-N 2 1 339.443 2.426 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096021207 1233691265 /nfs/dbraw/zinc/69/12/65/1233691265.db2.gz ZJNYASVGJDHGNF-AABGKKOBSA-N 2 1 339.483 2.149 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045941299 1234198764 /nfs/dbraw/zinc/19/87/64/1234198764.db2.gz IPSLVIXIPAJONW-TZIWHRDSSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968488 1235370277 /nfs/dbraw/zinc/37/02/77/1235370277.db2.gz HYLGGYADRHHEAC-INIZCTEOSA-N 2 1 343.462 2.368 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1occc1C[NH+](C)C)C2 ZINC001048556892 1237957807 /nfs/dbraw/zinc/95/78/07/1237957807.db2.gz XPSGGWBOTYKYMW-VBUUOAMHSA-N 2 1 343.471 2.337 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001049146410 1240119403 /nfs/dbraw/zinc/11/94/03/1240119403.db2.gz FDEBYWPWEWEWHK-KDURUIRLSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001000791656 1240945089 /nfs/dbraw/zinc/94/50/89/1240945089.db2.gz RHZDOEJORYKIQQ-FQEVSTJZSA-N 2 1 337.467 2.033 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001000791656 1240945093 /nfs/dbraw/zinc/94/50/93/1240945093.db2.gz RHZDOEJORYKIQQ-FQEVSTJZSA-N 2 1 337.467 2.033 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](Cc2ccccc2)CC1 ZINC001000791656 1240945101 /nfs/dbraw/zinc/94/51/01/1240945101.db2.gz RHZDOEJORYKIQQ-FQEVSTJZSA-N 2 1 337.467 2.033 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](Cc2ccccc2)CC1 ZINC001000791656 1240945110 /nfs/dbraw/zinc/94/51/10/1240945110.db2.gz RHZDOEJORYKIQQ-FQEVSTJZSA-N 2 1 337.467 2.033 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001001475390 1242345354 /nfs/dbraw/zinc/34/53/54/1242345354.db2.gz CWKAFWXBJLZIDN-LJQANCHMSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3C[C@H](F)CC)CC1 ZINC001049909737 1242659169 /nfs/dbraw/zinc/65/91/69/1242659169.db2.gz CDLJDCKLLAZETG-GUDVDZBRSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097078838 1243676382 /nfs/dbraw/zinc/67/63/82/1243676382.db2.gz BYVYWKKBQFKTMK-NBYUQASBSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097078838 1243676393 /nfs/dbraw/zinc/67/63/93/1243676393.db2.gz BYVYWKKBQFKTMK-NBYUQASBSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001097078838 1243676401 /nfs/dbraw/zinc/67/64/01/1243676401.db2.gz BYVYWKKBQFKTMK-NBYUQASBSA-N 2 1 343.515 2.386 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052827863 1245094150 /nfs/dbraw/zinc/09/41/50/1245094150.db2.gz WQPRKPUDCAPQMO-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052827863 1245094156 /nfs/dbraw/zinc/09/41/56/1245094156.db2.gz WQPRKPUDCAPQMO-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052965829 1245572462 /nfs/dbraw/zinc/57/24/62/1245572462.db2.gz BVKHVLTWJZFKNM-INIZCTEOSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053035079 1245730706 /nfs/dbraw/zinc/73/07/06/1245730706.db2.gz ZNVPKSUUHAOXHZ-OALUTQOASA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053035079 1245730713 /nfs/dbraw/zinc/73/07/13/1245730713.db2.gz ZNVPKSUUHAOXHZ-OALUTQOASA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055277 1245785002 /nfs/dbraw/zinc/78/50/02/1245785002.db2.gz WQRRKTDCDRXDSJ-RTBURBONSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055277 1245785008 /nfs/dbraw/zinc/78/50/08/1245785008.db2.gz WQRRKTDCDRXDSJ-RTBURBONSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108716 1245927941 /nfs/dbraw/zinc/92/79/41/1245927941.db2.gz WDWRNCKRFJKQPZ-RBUKOAKNSA-N 2 1 331.504 2.199 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001052254718 1246779723 /nfs/dbraw/zinc/77/97/23/1246779723.db2.gz OJMSLYGVNBJGMV-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001052254718 1246779732 /nfs/dbraw/zinc/77/97/32/1246779732.db2.gz OJMSLYGVNBJGMV-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001052254718 1246779741 /nfs/dbraw/zinc/77/97/41/1246779741.db2.gz OJMSLYGVNBJGMV-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448176 1247310452 /nfs/dbraw/zinc/31/04/52/1247310452.db2.gz WNQCUSOMRZLCMY-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448176 1247310464 /nfs/dbraw/zinc/31/04/64/1247310464.db2.gz WNQCUSOMRZLCMY-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448176 1247310477 /nfs/dbraw/zinc/31/04/77/1247310477.db2.gz WNQCUSOMRZLCMY-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001054145230 1247516940 /nfs/dbraw/zinc/51/69/40/1247516940.db2.gz NGQAKARLSJCDMS-TZIWHRDSSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145230 1247516945 /nfs/dbraw/zinc/51/69/45/1247516945.db2.gz NGQAKARLSJCDMS-TZIWHRDSSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145230 1247516954 /nfs/dbraw/zinc/51/69/54/1247516954.db2.gz NGQAKARLSJCDMS-TZIWHRDSSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054145170 1247517345 /nfs/dbraw/zinc/51/73/45/1247517345.db2.gz LOIIQFXOZGEDGF-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054145170 1247517348 /nfs/dbraw/zinc/51/73/48/1247517348.db2.gz LOIIQFXOZGEDGF-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054145170 1247517355 /nfs/dbraw/zinc/51/73/55/1247517355.db2.gz LOIIQFXOZGEDGF-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186284 1247653792 /nfs/dbraw/zinc/65/37/92/1247653792.db2.gz PETPNGJCNGOZTO-LJQANCHMSA-N 2 1 331.460 2.455 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001054198229 1247692244 /nfs/dbraw/zinc/69/22/44/1247692244.db2.gz SOBQVCBLZKHOJZ-VQTJNVASSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001054198229 1247692252 /nfs/dbraw/zinc/69/22/52/1247692252.db2.gz SOBQVCBLZKHOJZ-VQTJNVASSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001054198229 1247692262 /nfs/dbraw/zinc/69/22/62/1247692262.db2.gz SOBQVCBLZKHOJZ-VQTJNVASSA-N 2 1 349.494 2.147 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663400 1247814991 /nfs/dbraw/zinc/81/49/91/1247814991.db2.gz RHTICNGTKRCIOJ-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663400 1247815004 /nfs/dbraw/zinc/81/50/04/1247815004.db2.gz RHTICNGTKRCIOJ-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@@H](C)O2 ZINC001071243836 1254088018 /nfs/dbraw/zinc/08/80/18/1254088018.db2.gz MAHWBBBCAJONJP-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001072080998 1254919117 /nfs/dbraw/zinc/91/91/17/1254919117.db2.gz FHWCSCDSTGPLBX-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983157 1255546284 /nfs/dbraw/zinc/54/62/84/1255546284.db2.gz MIMDTXMCNGDJNR-IBGZPJMESA-N 2 1 337.483 2.309 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001072983157 1255546288 /nfs/dbraw/zinc/54/62/88/1255546288.db2.gz MIMDTXMCNGDJNR-IBGZPJMESA-N 2 1 337.483 2.309 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001072983157 1255546290 /nfs/dbraw/zinc/54/62/90/1255546290.db2.gz MIMDTXMCNGDJNR-IBGZPJMESA-N 2 1 337.483 2.309 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099552896 1258201522 /nfs/dbraw/zinc/20/15/22/1258201522.db2.gz QBZJNOUJPCANSU-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099552896 1258201528 /nfs/dbraw/zinc/20/15/28/1258201528.db2.gz QBZJNOUJPCANSU-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099552896 1258201533 /nfs/dbraw/zinc/20/15/33/1258201533.db2.gz QBZJNOUJPCANSU-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001187298318 1279498413 /nfs/dbraw/zinc/49/84/13/1279498413.db2.gz BKLFNYNZNRIZHF-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)CCC=C)C2)CC1 ZINC001194245553 1282956189 /nfs/dbraw/zinc/95/61/89/1282956189.db2.gz CBJVBBCJNXLMRN-PKOBYXMFSA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071896579 1294980878 /nfs/dbraw/zinc/98/08/78/1294980878.db2.gz GZULWXRERFFDEC-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974253 1296244894 /nfs/dbraw/zinc/24/48/94/1296244894.db2.gz ONCZFFPPSBGZKX-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801629 1297543459 /nfs/dbraw/zinc/54/34/59/1297543459.db2.gz QBOQBEBWAQCKEL-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801629 1297543462 /nfs/dbraw/zinc/54/34/62/1297543462.db2.gz QBOQBEBWAQCKEL-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801629 1297543464 /nfs/dbraw/zinc/54/34/64/1297543464.db2.gz QBOQBEBWAQCKEL-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001074684617 1298248257 /nfs/dbraw/zinc/24/82/57/1298248257.db2.gz XNKNEPIBYSDUAW-XHSDSOJGSA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015922 1300143167 /nfs/dbraw/zinc/14/31/67/1300143167.db2.gz VPCDPUIGRUZFOY-ZACQAIPSSA-N 2 1 327.488 2.317 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085129 1302190223 /nfs/dbraw/zinc/19/02/23/1302190223.db2.gz GYPDURSMQQMDKU-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103085129 1302190235 /nfs/dbraw/zinc/19/02/35/1302190235.db2.gz GYPDURSMQQMDKU-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103085129 1302190245 /nfs/dbraw/zinc/19/02/45/1302190245.db2.gz GYPDURSMQQMDKU-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001103171547 1302379808 /nfs/dbraw/zinc/37/98/08/1302379808.db2.gz HILNYDQJSNWPCD-NVXWUHKLSA-N 2 1 338.455 2.354 20 30 EEEDMP C[NH+](C)CCCC(=O)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001228879769 1302503154 /nfs/dbraw/zinc/50/31/54/1302503154.db2.gz WCHXQBDDHBGYMF-UHFFFAOYSA-N 2 1 345.462 2.100 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001229503878 1302822602 /nfs/dbraw/zinc/82/26/02/1302822602.db2.gz OEFFNFOAAMYIFZ-IAGOWNOFSA-N 2 1 348.516 2.479 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC001277543607 1303871212 /nfs/dbraw/zinc/87/12/12/1303871212.db2.gz SSUIVCCDEDVJKA-WBVHZDCISA-N 2 1 332.879 2.279 20 30 EEEDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001118149268 1306294858 /nfs/dbraw/zinc/29/48/58/1306294858.db2.gz BHIWBUIXDZPODX-QGZVFWFLSA-N 2 1 328.460 2.454 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121861800 1310157683 /nfs/dbraw/zinc/15/76/83/1310157683.db2.gz XLKGWPSKLVIHFT-WZXTXQKWSA-N 2 1 331.504 2.290 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246304296 1310276792 /nfs/dbraw/zinc/27/67/92/1310276792.db2.gz MEJLFEFIKYUISC-IKGGRYGDSA-N 3 1 325.497 2.114 20 30 EEEDMP C=CCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001149399792 1315958316 /nfs/dbraw/zinc/95/83/16/1315958316.db2.gz TXOQFHNZJOXUDG-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149399792 1315958319 /nfs/dbraw/zinc/95/83/19/1315958319.db2.gz TXOQFHNZJOXUDG-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149399792 1315958321 /nfs/dbraw/zinc/95/83/21/1315958321.db2.gz TXOQFHNZJOXUDG-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150546769 1316296142 /nfs/dbraw/zinc/29/61/42/1316296142.db2.gz ICJNCJFIXWOWLG-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150546769 1316296146 /nfs/dbraw/zinc/29/61/46/1316296146.db2.gz ICJNCJFIXWOWLG-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150546769 1316296152 /nfs/dbraw/zinc/29/61/52/1316296152.db2.gz ICJNCJFIXWOWLG-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001150780106 1316371647 /nfs/dbraw/zinc/37/16/47/1316371647.db2.gz ZEZPMSWZGFEYTJ-MOPGFXCFSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001150780106 1316371653 /nfs/dbraw/zinc/37/16/53/1316371653.db2.gz ZEZPMSWZGFEYTJ-MOPGFXCFSA-N 2 1 345.487 2.073 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C#N)c1)[NH+](C)C ZINC001154012437 1316936064 /nfs/dbraw/zinc/93/60/64/1316936064.db2.gz GQISVKAZPOEWIS-CRAIPNDOSA-N 2 1 330.476 2.225 20 30 EEEDMP C=CCOC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001252498921 1317618025 /nfs/dbraw/zinc/61/80/25/1317618025.db2.gz SIHLUNUWDHHIRI-HOJAQTOUSA-N 2 1 332.488 2.298 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374354 1317984027 /nfs/dbraw/zinc/98/40/27/1317984027.db2.gz PBLTYDKZOWJSOB-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374354 1317984033 /nfs/dbraw/zinc/98/40/33/1317984033.db2.gz PBLTYDKZOWJSOB-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374354 1317984035 /nfs/dbraw/zinc/98/40/35/1317984035.db2.gz PBLTYDKZOWJSOB-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374354 1317984038 /nfs/dbraw/zinc/98/40/38/1317984038.db2.gz PBLTYDKZOWJSOB-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001160645783 1320221052 /nfs/dbraw/zinc/22/10/52/1320221052.db2.gz KKEHDWHTGRWKGS-UHFFFAOYSA-N 2 1 349.438 2.043 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001161649617 1320570405 /nfs/dbraw/zinc/57/04/05/1320570405.db2.gz PCPHSUPMILMHNJ-AWEZNQCLSA-N 2 1 346.313 2.111 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161674793 1320583946 /nfs/dbraw/zinc/58/39/46/1320583946.db2.gz XEFHBICMYUJBCG-LJQANCHMSA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001161674793 1320583948 /nfs/dbraw/zinc/58/39/48/1320583948.db2.gz XEFHBICMYUJBCG-LJQANCHMSA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001161674793 1320583954 /nfs/dbraw/zinc/58/39/54/1320583954.db2.gz XEFHBICMYUJBCG-LJQANCHMSA-N 2 1 331.504 2.413 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704952 1320594114 /nfs/dbraw/zinc/59/41/14/1320594114.db2.gz MJLNBHQEEPULSH-MOPGFXCFSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](C/C=C\Cl)CC2)CC1 ZINC001161947103 1320689897 /nfs/dbraw/zinc/68/98/97/1320689897.db2.gz YDTXSKAGOYPHRT-OQFOIZHKSA-N 2 1 349.906 2.223 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001162928334 1320990187 /nfs/dbraw/zinc/99/01/87/1320990187.db2.gz GOJMMUMJILCJDY-LJQANCHMSA-N 2 1 341.499 2.012 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001205340136 1322354500 /nfs/dbraw/zinc/35/45/00/1322354500.db2.gz UFCZEQOGCZPTKY-INIZCTEOSA-N 2 1 330.476 2.248 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545055 1324016803 /nfs/dbraw/zinc/01/68/03/1324016803.db2.gz CIBDUMHFVQYTPN-CZUORRHYSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545055 1324016810 /nfs/dbraw/zinc/01/68/10/1324016810.db2.gz CIBDUMHFVQYTPN-CZUORRHYSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207766957 1324137830 /nfs/dbraw/zinc/13/78/30/1324137830.db2.gz LTVLJFAEOFNEGN-CZUORRHYSA-N 2 1 336.867 2.097 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207766957 1324137836 /nfs/dbraw/zinc/13/78/36/1324137836.db2.gz LTVLJFAEOFNEGN-CZUORRHYSA-N 2 1 336.867 2.097 20 30 EEEDMP C=CCOCc1nn(C)c2c1C[N@H+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208107946 1324319616 /nfs/dbraw/zinc/31/96/16/1324319616.db2.gz XWWZINJVEYVSGB-UHFFFAOYSA-N 2 1 332.492 2.213 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001208424469 1324489894 /nfs/dbraw/zinc/48/98/94/1324489894.db2.gz ZHFDENIMOJWXNC-PMACEKPBSA-N 2 1 339.483 2.103 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426538 1325281146 /nfs/dbraw/zinc/28/11/46/1325281146.db2.gz HMYFBXGZBHGVAE-RHSMWYFYSA-N 2 1 348.516 2.288 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426538 1325281153 /nfs/dbraw/zinc/28/11/53/1325281153.db2.gz HMYFBXGZBHGVAE-RHSMWYFYSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001210789338 1325434439 /nfs/dbraw/zinc/43/44/39/1325434439.db2.gz NDEZEYMVESTTKI-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CC#CC[C@@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001574973028 1343716158 /nfs/dbraw/zinc/71/61/58/1343716158.db2.gz RTAMLSMXKNIXDT-RAFMOHDBSA-N 2 1 339.483 2.429 20 30 EEEDMP C=CC[C@@H](C(=O)[O-])[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001602829406 1350592515 /nfs/dbraw/zinc/59/25/15/1350592515.db2.gz NFXHRYLDHITDNF-SFHVURJKSA-N 2 1 337.508 2.144 20 30 EEEDMP C=CC[C@@H](C(=O)[O-])[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001602829406 1350592519 /nfs/dbraw/zinc/59/25/19/1350592519.db2.gz NFXHRYLDHITDNF-SFHVURJKSA-N 2 1 337.508 2.144 20 30 EEEDMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001201125266 1368786491 /nfs/dbraw/zinc/78/64/91/1368786491.db2.gz OYPQKZDVINNMNO-RTBURBONSA-N 2 1 348.450 2.146 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC001202146861 1368881055 /nfs/dbraw/zinc/88/10/55/1368881055.db2.gz CHIUFCKMDBOTTC-RTBURBONSA-N 2 1 345.487 2.073 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC=C(C)C)C2)CC1 ZINC001072096342 1370605943 /nfs/dbraw/zinc/60/59/43/1370605943.db2.gz XTFUEZTUQOWHOW-PKOBYXMFSA-N 2 1 331.504 2.267 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC001391801888 1389612860 /nfs/dbraw/zinc/61/28/60/1389612860.db2.gz OGSJZSUNXVBLES-UYAOXDASSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCCCC)C1 ZINC001752783298 1406400766 /nfs/dbraw/zinc/40/07/66/1406400766.db2.gz HDMHUNNIVSDJAH-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCCCC)C1 ZINC001752783298 1406400773 /nfs/dbraw/zinc/40/07/73/1406400773.db2.gz HDMHUNNIVSDJAH-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCCCC)C1 ZINC001752783298 1406400778 /nfs/dbraw/zinc/40/07/78/1406400778.db2.gz HDMHUNNIVSDJAH-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCCCC)C1 ZINC001752783298 1406400784 /nfs/dbraw/zinc/40/07/84/1406400784.db2.gz HDMHUNNIVSDJAH-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001394141939 1390632536 /nfs/dbraw/zinc/63/25/36/1390632536.db2.gz PZZJRKBNEPMNKB-KRWDZBQOSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Br)C[NH2+]C1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC001398838232 1394221405 /nfs/dbraw/zinc/22/14/05/1394221405.db2.gz HDDNZIYQGGKPJA-UHFFFAOYSA-N 2 1 346.313 2.254 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001399901150 1395621339 /nfs/dbraw/zinc/62/13/39/1395621339.db2.gz JRUOKHWMHRTISC-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001399901150 1395621351 /nfs/dbraw/zinc/62/13/51/1395621351.db2.gz JRUOKHWMHRTISC-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001399901150 1395621360 /nfs/dbraw/zinc/62/13/60/1395621360.db2.gz JRUOKHWMHRTISC-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001399901150 1395621371 /nfs/dbraw/zinc/62/13/71/1395621371.db2.gz JRUOKHWMHRTISC-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001755026429 1407049850 /nfs/dbraw/zinc/04/98/50/1407049850.db2.gz PHZFXEAWUDDNCA-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)CO2 ZINC001755065056 1407073652 /nfs/dbraw/zinc/07/36/52/1407073652.db2.gz CMRQNHATADLGJM-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001755184705 1407188509 /nfs/dbraw/zinc/18/85/09/1407188509.db2.gz DIGRRTSXYKHYEV-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP N#Cc1ccsc1N1CC[C@H]([N@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)C1=O ZINC001580080667 1403822128 /nfs/dbraw/zinc/82/21/28/1403822128.db2.gz BBOVBGGNUOLNIG-RVKKMQEKSA-N 2 1 344.484 2.176 20 30 EEEDMP N#Cc1ccsc1N1CC[C@H]([N@@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)C1=O ZINC001580080667 1403822138 /nfs/dbraw/zinc/82/21/38/1403822138.db2.gz BBOVBGGNUOLNIG-RVKKMQEKSA-N 2 1 344.484 2.176 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001755473093 1407508198 /nfs/dbraw/zinc/50/81/98/1407508198.db2.gz LHOMMZZQOLJVCP-FHWLQOOXSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001755473093 1407508212 /nfs/dbraw/zinc/50/82/12/1407508212.db2.gz LHOMMZZQOLJVCP-FHWLQOOXSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001112396849 1410896093 /nfs/dbraw/zinc/89/60/93/1410896093.db2.gz HCRIIKOYFNNQCT-ZJOUEHCJSA-N 2 1 345.531 2.206 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115537003 1411034931 /nfs/dbraw/zinc/03/49/31/1411034931.db2.gz RNQWCHZHLSQCCD-QZTJIDSGSA-N 2 1 331.504 2.293 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001167627571 760769026 /nfs/dbraw/zinc/76/90/26/760769026.db2.gz PQBCCYIBVCZZLI-QGZVFWFLSA-N 2 1 348.516 2.479 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001087302900 761540413 /nfs/dbraw/zinc/54/04/13/761540413.db2.gz BYPXDZAVKMKIRZ-NZSAHSFTSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001087302900 761540419 /nfs/dbraw/zinc/54/04/19/761540419.db2.gz BYPXDZAVKMKIRZ-NZSAHSFTSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001087302900 761540425 /nfs/dbraw/zinc/54/04/25/761540425.db2.gz BYPXDZAVKMKIRZ-NZSAHSFTSA-N 2 1 345.531 2.347 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@H](C)O2 ZINC001098605217 765090060 /nfs/dbraw/zinc/09/00/60/765090060.db2.gz GYXAJNHMPVGDLL-KRWDZBQOSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999272 782743561 /nfs/dbraw/zinc/74/35/61/782743561.db2.gz DIIXODBJFXKGPR-IKGGRYGDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999272 782743569 /nfs/dbraw/zinc/74/35/69/782743569.db2.gz DIIXODBJFXKGPR-IKGGRYGDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999272 782743581 /nfs/dbraw/zinc/74/35/81/782743581.db2.gz DIIXODBJFXKGPR-IKGGRYGDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999272 782743592 /nfs/dbraw/zinc/74/35/92/782743592.db2.gz DIIXODBJFXKGPR-IKGGRYGDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107247 782921900 /nfs/dbraw/zinc/92/19/00/782921900.db2.gz OLFCAIHBYBYPLJ-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107247 782921906 /nfs/dbraw/zinc/92/19/06/782921906.db2.gz OLFCAIHBYBYPLJ-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088166325 783011129 /nfs/dbraw/zinc/01/11/29/783011129.db2.gz VOESGSWRSVDMBS-UXHICEINSA-N 2 1 345.531 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980142755 773971961 /nfs/dbraw/zinc/97/19/61/773971961.db2.gz MBMRVYUZPSZQRI-BZSNNMDCSA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980142755 773971963 /nfs/dbraw/zinc/97/19/63/773971963.db2.gz MBMRVYUZPSZQRI-BZSNNMDCSA-N 2 1 330.476 2.374 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001031741321 774182261 /nfs/dbraw/zinc/18/22/61/774182261.db2.gz WGXIWAUQTFCHHH-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001031741321 774182267 /nfs/dbraw/zinc/18/22/67/774182267.db2.gz WGXIWAUQTFCHHH-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(C)C)C[C@H]3C2)CC1 ZINC000980251729 774191588 /nfs/dbraw/zinc/19/15/88/774191588.db2.gz GCUIFWIAONSPQL-VAMGGRTRSA-N 2 1 345.531 2.204 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098529 783191037 /nfs/dbraw/zinc/19/10/37/783191037.db2.gz UWUXZSFLEJKCNL-UYAOXDASSA-N 2 1 349.519 2.034 20 30 EEEDMP C[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2Cl)CC1 ZINC000828053853 790434384 /nfs/dbraw/zinc/43/43/84/790434384.db2.gz FQWHHOJEUGTXCP-OAHLLOKOSA-N 2 1 349.866 2.051 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@@H]12 ZINC000991784494 790478256 /nfs/dbraw/zinc/47/82/56/790478256.db2.gz QBMXTOACGFLZKA-MJGOQNOKSA-N 2 1 337.427 2.180 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC000981365184 777259657 /nfs/dbraw/zinc/25/96/57/777259657.db2.gz JRMYIBDFMYOMJB-ICSRJNTNSA-N 2 1 339.483 2.380 20 30 EEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957606 778657775 /nfs/dbraw/zinc/65/77/75/778657775.db2.gz NIBSUXIIENTIID-SFHVURJKSA-N 2 1 325.472 2.309 20 30 EEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957606 778657777 /nfs/dbraw/zinc/65/77/77/778657777.db2.gz NIBSUXIIENTIID-SFHVURJKSA-N 2 1 325.472 2.309 20 30 EEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957606 778657778 /nfs/dbraw/zinc/65/77/78/778657778.db2.gz NIBSUXIIENTIID-SFHVURJKSA-N 2 1 325.472 2.309 20 30 EEEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001087441389 779952922 /nfs/dbraw/zinc/95/29/22/779952922.db2.gz FCKOQBDPMHPNKB-MISYRCLQSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001087441389 779952929 /nfs/dbraw/zinc/95/29/29/779952929.db2.gz FCKOQBDPMHPNKB-MISYRCLQSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001087441389 779952938 /nfs/dbraw/zinc/95/29/38/779952938.db2.gz FCKOQBDPMHPNKB-MISYRCLQSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1C)CC2 ZINC001035201621 784043891 /nfs/dbraw/zinc/04/38/91/784043891.db2.gz LUDUDKAWLALJHB-UHFFFAOYSA-N 2 1 336.439 2.204 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244112 784175432 /nfs/dbraw/zinc/17/54/32/784175432.db2.gz IXCXNWBRJQPUIC-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135858094 784640993 /nfs/dbraw/zinc/64/09/93/784640993.db2.gz SJTZAOIZMOOYRQ-ZWKOTPCHSA-N 2 1 329.488 2.253 20 30 EEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086808914 784870254 /nfs/dbraw/zinc/87/02/54/784870254.db2.gz JIYUZUXFQFZWHZ-NBYUQASBSA-N 2 1 341.499 2.392 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000995900816 785799597 /nfs/dbraw/zinc/79/95/97/785799597.db2.gz ZUKWLTAJFQIZJV-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560968 805671107 /nfs/dbraw/zinc/67/11/07/805671107.db2.gz ZLUBTQKJWNNTOB-SQNIBIBYSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560968 805671113 /nfs/dbraw/zinc/67/11/13/805671113.db2.gz ZLUBTQKJWNNTOB-SQNIBIBYSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000996667143 787030581 /nfs/dbraw/zinc/03/05/81/787030581.db2.gz UDBIKQCWMFGHFD-HNNXBMFYSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC000996675319 787102447 /nfs/dbraw/zinc/10/24/47/787102447.db2.gz XPSOPDFZOWTDGR-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107483379 787399298 /nfs/dbraw/zinc/39/92/98/787399298.db2.gz WCGAPFXDJZGTNG-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567827 787676131 /nfs/dbraw/zinc/67/61/31/787676131.db2.gz MMSPMYMLQWAHHF-UYAOXDASSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC(C)CC2)C1 ZINC001030024716 788198682 /nfs/dbraw/zinc/19/86/82/788198682.db2.gz LVSYGRBYSRNOLQ-TUNPWDSISA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001005986755 789156403 /nfs/dbraw/zinc/15/64/03/789156403.db2.gz LTKBVWUTKUFLHB-LJQANCHMSA-N 2 1 337.483 2.145 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000923354694 789434567 /nfs/dbraw/zinc/43/45/67/789434567.db2.gz UWQLQHHFIGJZIW-GOSISDBHSA-N 2 1 331.460 2.139 20 30 EEEDMP C=CCN(CC=C)CC[NH+]1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168395214 789528874 /nfs/dbraw/zinc/52/88/74/789528874.db2.gz QPCRARHRPJIXOK-UHFFFAOYSA-N 2 1 346.563 2.152 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146594827 791365882 /nfs/dbraw/zinc/36/58/82/791365882.db2.gz VHRVLCRRQQXLGL-MSOLQXFVSA-N 2 1 329.488 2.251 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998091469 791946271 /nfs/dbraw/zinc/94/62/71/791946271.db2.gz BPLRJCTYBSGHAB-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998091469 791946274 /nfs/dbraw/zinc/94/62/74/791946274.db2.gz BPLRJCTYBSGHAB-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998310160 792528331 /nfs/dbraw/zinc/52/83/31/792528331.db2.gz GGDVTTBYCMFSOC-KBPBESRZSA-N 2 1 344.381 2.137 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091758894 792765274 /nfs/dbraw/zinc/76/52/74/792765274.db2.gz PSBXDUQHRYXRPH-VYDXJSESSA-N 2 1 327.900 2.105 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091758894 792765276 /nfs/dbraw/zinc/76/52/76/792765276.db2.gz PSBXDUQHRYXRPH-VYDXJSESSA-N 2 1 327.900 2.105 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001086926659 793004110 /nfs/dbraw/zinc/00/41/10/793004110.db2.gz GLIVLPTULIQCCK-IAGOWNOFSA-N 2 1 340.471 2.097 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942516 793035806 /nfs/dbraw/zinc/03/58/06/793035806.db2.gz UHNSMLSFYYGGFP-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953685 793458796 /nfs/dbraw/zinc/45/87/96/793458796.db2.gz PRKDWCBEWKNLDW-CUSZFKRNSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953685 793458800 /nfs/dbraw/zinc/45/88/00/793458800.db2.gz PRKDWCBEWKNLDW-CUSZFKRNSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953685 793458807 /nfs/dbraw/zinc/45/88/07/793458807.db2.gz PRKDWCBEWKNLDW-CUSZFKRNSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953685 793458812 /nfs/dbraw/zinc/45/88/12/793458812.db2.gz PRKDWCBEWKNLDW-CUSZFKRNSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091957474 793462678 /nfs/dbraw/zinc/46/26/78/793462678.db2.gz NIOZAXDDYPSGEP-HLIPFELVSA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091957474 793462684 /nfs/dbraw/zinc/46/26/84/793462684.db2.gz NIOZAXDDYPSGEP-HLIPFELVSA-N 2 1 342.487 2.110 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153152 793746404 /nfs/dbraw/zinc/74/64/04/793746404.db2.gz GSBVRRQELZVHTB-QGZVFWFLSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000999300521 794261914 /nfs/dbraw/zinc/26/19/14/794261914.db2.gz LZPDIBNPMDXYLO-HLIUYOAVSA-N 2 1 336.867 2.085 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cccc(F)c1 ZINC001079209369 794460088 /nfs/dbraw/zinc/46/00/88/794460088.db2.gz CBSXJOUYHFNYQD-ZWKOTPCHSA-N 2 1 342.418 2.101 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCC(=C)C)CC3)CC1 ZINC000992515496 794471382 /nfs/dbraw/zinc/47/13/82/794471382.db2.gz ZEXGNIFBFFPLNY-CTNGQTDRSA-N 2 1 343.515 2.411 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093120299 794652752 /nfs/dbraw/zinc/65/27/52/794652752.db2.gz FUPPISFECJTWLV-VQIMIIECSA-N 2 1 333.520 2.369 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001093371979 795103564 /nfs/dbraw/zinc/10/35/64/795103564.db2.gz XNEQPGIVYIRBJZ-GOSISDBHSA-N 2 1 343.515 2.197 20 30 EEEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001093384168 795127787 /nfs/dbraw/zinc/12/77/87/795127787.db2.gz UISVKTMGIVOOES-IBGZPJMESA-N 2 1 342.487 2.471 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001093384168 795127790 /nfs/dbraw/zinc/12/77/90/795127790.db2.gz UISVKTMGIVOOES-IBGZPJMESA-N 2 1 342.487 2.471 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001106156602 795131097 /nfs/dbraw/zinc/13/10/97/795131097.db2.gz FZNZKLKQAMEHEY-RKVPGOIHSA-N 2 1 345.491 2.050 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001106156602 795131101 /nfs/dbraw/zinc/13/11/01/795131101.db2.gz FZNZKLKQAMEHEY-RKVPGOIHSA-N 2 1 345.491 2.050 20 30 EEEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)CCO2 ZINC001093407838 795145687 /nfs/dbraw/zinc/14/56/87/795145687.db2.gz MJBKEGMSHYZZOR-PGYGNJIDSA-N 2 1 349.519 2.177 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080441508 796015602 /nfs/dbraw/zinc/01/56/02/796015602.db2.gz OLEIDYYJVUMXLE-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080441508 796015611 /nfs/dbraw/zinc/01/56/11/796015611.db2.gz OLEIDYYJVUMXLE-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001080441508 796015620 /nfs/dbraw/zinc/01/56/20/796015620.db2.gz OLEIDYYJVUMXLE-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001080441508 796015629 /nfs/dbraw/zinc/01/56/29/796015629.db2.gz OLEIDYYJVUMXLE-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203453620 796396747 /nfs/dbraw/zinc/39/67/47/796396747.db2.gz UGWVOQGCFGOTJV-HZPDHXFCSA-N 2 1 328.460 2.047 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001081229341 796701225 /nfs/dbraw/zinc/70/12/25/796701225.db2.gz NCTPPEMDNLTXPY-RBUKOAKNSA-N 2 1 338.455 2.352 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001032813200 796756872 /nfs/dbraw/zinc/75/68/72/796756872.db2.gz XESIVAFUJREWIK-HOTGVXAUSA-N 2 1 329.444 2.043 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001032813200 796756880 /nfs/dbraw/zinc/75/68/80/796756880.db2.gz XESIVAFUJREWIK-HOTGVXAUSA-N 2 1 329.444 2.043 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C12CCC2 ZINC001078724688 796884071 /nfs/dbraw/zinc/88/40/71/796884071.db2.gz GJCJYCCQVYEZCN-IRXDYDNUSA-N 2 1 344.459 2.087 20 30 EEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001833930 797264541 /nfs/dbraw/zinc/26/45/41/797264541.db2.gz MTKWRGPKEFZRRV-QGZVFWFLSA-N 2 1 330.476 2.158 20 30 EEEDMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082740714 797674545 /nfs/dbraw/zinc/67/45/45/797674545.db2.gz DCSHFXVRUVLQFO-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001175703927 798215978 /nfs/dbraw/zinc/21/59/78/798215978.db2.gz NGWOYOVNBADENI-SFHVURJKSA-N 2 1 339.524 2.330 20 30 EEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001175931027 798293075 /nfs/dbraw/zinc/29/30/75/798293075.db2.gz YLZOHJLMWXMHSB-INIZCTEOSA-N 2 1 339.443 2.169 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(CC)CC)C[C@H]32)CC1 ZINC001084851033 798501600 /nfs/dbraw/zinc/50/16/00/798501600.db2.gz JWIGRAWAAUCURL-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072576 798653614 /nfs/dbraw/zinc/65/36/14/798653614.db2.gz HYAKONBHASXWFX-SLYNCCJLSA-N 2 1 339.483 2.019 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072576 798653616 /nfs/dbraw/zinc/65/36/16/798653616.db2.gz HYAKONBHASXWFX-SLYNCCJLSA-N 2 1 339.483 2.019 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176986521 798675314 /nfs/dbraw/zinc/67/53/14/798675314.db2.gz QGZUQWIHYMWANJ-IBGZPJMESA-N 2 1 327.472 2.008 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001085152888 798728251 /nfs/dbraw/zinc/72/82/51/798728251.db2.gz VCEFEIFLEHLISS-BRWVUGGUSA-N 2 1 346.500 2.231 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001177415713 798934078 /nfs/dbraw/zinc/93/40/78/798934078.db2.gz JAKOSMMFZPQXPU-PKOBYXMFSA-N 2 1 333.520 2.206 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001178722660 799580976 /nfs/dbraw/zinc/58/09/76/799580976.db2.gz LZJBUAVSQIAXHQ-YHWKNFMLSA-N 2 1 325.884 2.103 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001178722660 799580979 /nfs/dbraw/zinc/58/09/79/799580979.db2.gz LZJBUAVSQIAXHQ-YHWKNFMLSA-N 2 1 325.884 2.103 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001179539556 799983735 /nfs/dbraw/zinc/98/37/35/799983735.db2.gz ZEFWYGLEGNQZDK-LESCRADOSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788111 801278127 /nfs/dbraw/zinc/27/81/27/801278127.db2.gz DYDBUPLQJMQXJV-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788111 801278133 /nfs/dbraw/zinc/27/81/33/801278133.db2.gz DYDBUPLQJMQXJV-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001004459311 802124432 /nfs/dbraw/zinc/12/44/32/802124432.db2.gz SIKKMTRHLWBYJP-ROUUACIJSA-N 2 1 340.471 2.097 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001004459311 802124436 /nfs/dbraw/zinc/12/44/36/802124436.db2.gz SIKKMTRHLWBYJP-ROUUACIJSA-N 2 1 340.471 2.097 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC(C)C)C[C@H]2CC1 ZINC000946628020 802366843 /nfs/dbraw/zinc/36/68/43/802366843.db2.gz HLRFEPLVCBSXLI-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC(C)C)C[C@H]2CC1 ZINC000946628020 802366852 /nfs/dbraw/zinc/36/68/52/802366852.db2.gz HLRFEPLVCBSXLI-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC(C)C)C[C@H]2CC1 ZINC000946628020 802366861 /nfs/dbraw/zinc/36/68/61/802366861.db2.gz HLRFEPLVCBSXLI-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC(C)C)C[C@H]2CC1 ZINC000946628020 802366869 /nfs/dbraw/zinc/36/68/69/802366869.db2.gz HLRFEPLVCBSXLI-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC(C)C)C[C@H]2CC1 ZINC000946628020 802366878 /nfs/dbraw/zinc/36/68/78/802366878.db2.gz HLRFEPLVCBSXLI-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](F)CC)C[C@H]2CC1 ZINC000946628147 802368049 /nfs/dbraw/zinc/36/80/49/802368049.db2.gz JHZQUCACEIMUKM-HCXYKTFWSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H](F)CC)C[C@H]2CC1 ZINC000946628147 802368059 /nfs/dbraw/zinc/36/80/59/802368059.db2.gz JHZQUCACEIMUKM-HCXYKTFWSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](F)CC)C[C@H]2CC1 ZINC000946628147 802368065 /nfs/dbraw/zinc/36/80/65/802368065.db2.gz JHZQUCACEIMUKM-HCXYKTFWSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](F)CC)C[C@H]2CC1 ZINC000946628147 802368074 /nfs/dbraw/zinc/36/80/74/802368074.db2.gz JHZQUCACEIMUKM-HCXYKTFWSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](F)CC)C[C@H]2CC1 ZINC000946628147 802368082 /nfs/dbraw/zinc/36/80/82/802368082.db2.gz JHZQUCACEIMUKM-HCXYKTFWSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001004602408 802447930 /nfs/dbraw/zinc/44/79/30/802447930.db2.gz SZDWSXXIEMGCLF-CTNGQTDRSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001004602408 802447936 /nfs/dbraw/zinc/44/79/36/802447936.db2.gz SZDWSXXIEMGCLF-CTNGQTDRSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001004602408 802447941 /nfs/dbraw/zinc/44/79/41/802447941.db2.gz SZDWSXXIEMGCLF-CTNGQTDRSA-N 2 1 343.515 2.199 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169808716 804084982 /nfs/dbraw/zinc/08/49/82/804084982.db2.gz DHAQLQQFWXXCNM-APWZRJJASA-N 2 1 342.487 2.417 20 30 EEEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364316 804508959 /nfs/dbraw/zinc/50/89/59/804508959.db2.gz SAUIEVMXKIUSGZ-GOSISDBHSA-N 2 1 339.524 2.306 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001437022437 1088815233 /nfs/dbraw/zinc/81/52/33/1088815233.db2.gz QDGAASLNTNJBOW-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)s1 ZINC001437483865 1089837882 /nfs/dbraw/zinc/83/78/82/1089837882.db2.gz VBGNTBFJRGOPRE-KRWDZBQOSA-N 2 1 348.516 2.288 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)s1 ZINC001437483865 1089837895 /nfs/dbraw/zinc/83/78/95/1089837895.db2.gz VBGNTBFJRGOPRE-KRWDZBQOSA-N 2 1 348.516 2.288 20 30 EEEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001437483865 1089837911 /nfs/dbraw/zinc/83/79/11/1089837911.db2.gz VBGNTBFJRGOPRE-KRWDZBQOSA-N 2 1 348.516 2.288 20 30 EEEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001437483865 1089837927 /nfs/dbraw/zinc/83/79/27/1089837927.db2.gz VBGNTBFJRGOPRE-KRWDZBQOSA-N 2 1 348.516 2.288 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001440292503 1093416443 /nfs/dbraw/zinc/41/64/43/1093416443.db2.gz SGBJQGNGQKFTLI-OKILXGFUSA-N 2 1 346.500 2.088 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001520497117 1119170141 /nfs/dbraw/zinc/17/01/41/1119170141.db2.gz NSRGBSWHCXAVPC-DLBZAZTESA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001520497117 1119170142 /nfs/dbraw/zinc/17/01/42/1119170142.db2.gz NSRGBSWHCXAVPC-DLBZAZTESA-N 2 1 346.523 2.399 20 30 EEEDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000442767272 242109367 /nfs/dbraw/zinc/10/93/67/242109367.db2.gz MJWMXKLUBYWLTP-WMZOPIPTSA-N 2 1 331.460 2.425 20 30 EEEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453179301 243407424 /nfs/dbraw/zinc/40/74/24/243407424.db2.gz IWGFMDOUVFINOF-OTWHNJEPSA-N 2 1 327.472 2.321 20 30 EEEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453179301 243407430 /nfs/dbraw/zinc/40/74/30/243407430.db2.gz IWGFMDOUVFINOF-OTWHNJEPSA-N 2 1 327.472 2.321 20 30 EEEDMP C[NH+](C)C1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCOCC1 ZINC000375859862 167213606 /nfs/dbraw/zinc/21/36/06/167213606.db2.gz FTGPWGRRMOJPPC-UHFFFAOYSA-N 2 1 342.487 2.227 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000296129600 465089427 /nfs/dbraw/zinc/08/94/27/465089427.db2.gz IBWZUVXUJFUXPO-UHFFFAOYSA-N 2 1 344.503 2.283 20 30 EEEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000156284696 463001817 /nfs/dbraw/zinc/00/18/17/463001817.db2.gz FJYAKTDXHCJZGF-IBGZPJMESA-N 2 1 342.487 2.039 20 30 EEEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000597004297 468414841 /nfs/dbraw/zinc/41/48/41/468414841.db2.gz ZIMAXNMEIZGZPI-FQEVSTJZSA-N 2 1 338.499 2.454 20 30 EEEDMP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000267445334 464931957 /nfs/dbraw/zinc/93/19/57/464931957.db2.gz PXDAOVOCXMZYBD-HNNXBMFYSA-N 2 1 344.459 2.351 20 30 EEEDMP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000267445334 464931961 /nfs/dbraw/zinc/93/19/61/464931961.db2.gz PXDAOVOCXMZYBD-HNNXBMFYSA-N 2 1 344.459 2.351 20 30 EEEDMP CN(Cc1ccc(C#N)cc1F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367116872 466138745 /nfs/dbraw/zinc/13/87/45/466138745.db2.gz IYUMONBDJZRAFG-SFHVURJKSA-N 2 1 330.451 2.298 20 30 EEEDMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424153431 466991943 /nfs/dbraw/zinc/99/19/43/466991943.db2.gz KZOCCESHIHTHNO-OALUTQOASA-N 2 1 342.487 2.378 20 30 EEEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000570721215 468682761 /nfs/dbraw/zinc/68/27/61/468682761.db2.gz UZABVZJWAHVCAU-LPHOPBHVSA-N 2 1 326.444 2.176 20 30 EEEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000570721215 468682766 /nfs/dbraw/zinc/68/27/66/468682766.db2.gz UZABVZJWAHVCAU-LPHOPBHVSA-N 2 1 326.444 2.176 20 30 EEEDMP N#Cc1ncn(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000602654520 468990891 /nfs/dbraw/zinc/99/08/91/468990891.db2.gz MTPLTISVMMMBDV-WMZOPIPTSA-N 2 1 336.443 2.107 20 30 EEEDMP N#Cc1ncn(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000602654520 468990895 /nfs/dbraw/zinc/99/08/95/468990895.db2.gz MTPLTISVMMMBDV-WMZOPIPTSA-N 2 1 336.443 2.107 20 30 EEEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccccc1C#N ZINC000599299755 469198558 /nfs/dbraw/zinc/19/85/58/469198558.db2.gz JUDPYUUPELVELS-ZWKOTPCHSA-N 2 1 331.460 2.104 20 30 EEEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccccc1C#N ZINC000599299755 469198562 /nfs/dbraw/zinc/19/85/62/469198562.db2.gz JUDPYUUPELVELS-ZWKOTPCHSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccccc1C#N ZINC000599299755 469198568 /nfs/dbraw/zinc/19/85/68/469198568.db2.gz JUDPYUUPELVELS-ZWKOTPCHSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccccc1C#N ZINC000599299755 469198574 /nfs/dbraw/zinc/19/85/74/469198574.db2.gz JUDPYUUPELVELS-ZWKOTPCHSA-N 2 1 331.460 2.104 20 30 EEEDMP N#CCCNC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762927731 577711610 /nfs/dbraw/zinc/71/16/10/577711610.db2.gz VCVPXTHCVKPPTI-UHFFFAOYSA-N 2 1 340.471 2.004 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753935780 577796667 /nfs/dbraw/zinc/79/66/67/577796667.db2.gz PQVJZBUDBQRQDM-OLMNPRSZSA-N 2 1 340.475 2.139 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620342 676274957 /nfs/dbraw/zinc/27/49/57/676274957.db2.gz RWJAVSJINQRECP-QAPCUYQASA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620342 676274958 /nfs/dbraw/zinc/27/49/58/676274958.db2.gz RWJAVSJINQRECP-QAPCUYQASA-N 2 1 346.475 2.239 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971800730 676811518 /nfs/dbraw/zinc/81/15/18/676811518.db2.gz LYBQAWXIWVVXFE-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971800730 676811519 /nfs/dbraw/zinc/81/15/19/676811519.db2.gz LYBQAWXIWVVXFE-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971800730 676811523 /nfs/dbraw/zinc/81/15/23/676811523.db2.gz LYBQAWXIWVVXFE-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(Cl)CN1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001023403120 679291978 /nfs/dbraw/zinc/29/19/78/679291978.db2.gz DEWWYFCEUAIRGR-HZPDHXFCSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001023403120 679291980 /nfs/dbraw/zinc/29/19/80/679291980.db2.gz DEWWYFCEUAIRGR-HZPDHXFCSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001023403120 679291982 /nfs/dbraw/zinc/29/19/82/679291982.db2.gz DEWWYFCEUAIRGR-HZPDHXFCSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023403120 679291985 /nfs/dbraw/zinc/29/19/85/679291985.db2.gz DEWWYFCEUAIRGR-HZPDHXFCSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023403120 679291987 /nfs/dbraw/zinc/29/19/87/679291987.db2.gz DEWWYFCEUAIRGR-HZPDHXFCSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023424350 679302363 /nfs/dbraw/zinc/30/23/63/679302363.db2.gz VUKJZAHDOLJKDG-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023424350 679302364 /nfs/dbraw/zinc/30/23/64/679302364.db2.gz VUKJZAHDOLJKDG-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023424350 679302365 /nfs/dbraw/zinc/30/23/65/679302365.db2.gz VUKJZAHDOLJKDG-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023424350 679302366 /nfs/dbraw/zinc/30/23/66/679302366.db2.gz VUKJZAHDOLJKDG-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023424350 679302367 /nfs/dbraw/zinc/30/23/67/679302367.db2.gz VUKJZAHDOLJKDG-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001024478538 679951614 /nfs/dbraw/zinc/95/16/14/679951614.db2.gz SPRVEURRMPQDSJ-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001024478538 679951619 /nfs/dbraw/zinc/95/16/19/679951619.db2.gz SPRVEURRMPQDSJ-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001024478538 679951625 /nfs/dbraw/zinc/95/16/25/679951625.db2.gz SPRVEURRMPQDSJ-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712468 681373266 /nfs/dbraw/zinc/37/32/66/681373266.db2.gz YXFKRZBNANWHJV-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982616036 681801448 /nfs/dbraw/zinc/80/14/48/681801448.db2.gz BCAAOJGJCBAXMV-SESVDKBCSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277541 682387306 /nfs/dbraw/zinc/38/73/06/682387306.db2.gz POMOZAODAGFXJG-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277541 682387308 /nfs/dbraw/zinc/38/73/08/682387308.db2.gz POMOZAODAGFXJG-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CCCS1)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000261934269 682412142 /nfs/dbraw/zinc/41/21/42/682412142.db2.gz CCPBHJXNJZKSSH-KRWDZBQOSA-N 2 1 346.544 2.146 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433887 682752431 /nfs/dbraw/zinc/75/24/31/682752431.db2.gz PSVMTFZDIRKJPT-LSDHHAIUSA-N 2 1 333.501 2.273 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025631234 683169429 /nfs/dbraw/zinc/16/94/29/683169429.db2.gz YSGLFPNICKTMDZ-IRXDYDNUSA-N 2 1 327.472 2.212 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000984046669 684016680 /nfs/dbraw/zinc/01/66/80/684016680.db2.gz GLJYHUGDHKWGRA-ZQIUZPCESA-N 2 1 346.500 2.088 20 30 EEEDMP C#Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000896043199 684816434 /nfs/dbraw/zinc/81/64/34/684816434.db2.gz OBJVNSLYEHDQGL-IBGZPJMESA-N 2 1 327.472 2.156 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)CC1(C)C ZINC000974683047 685231100 /nfs/dbraw/zinc/23/11/00/685231100.db2.gz BFWDINFTTAETHD-DLBZAZTESA-N 2 1 345.512 2.172 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975059986 686089155 /nfs/dbraw/zinc/08/91/55/686089155.db2.gz IEVRSSIGJWLUMQ-SFHVURJKSA-N 2 1 329.488 2.417 20 30 EEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000985439825 686733727 /nfs/dbraw/zinc/73/37/27/686733727.db2.gz AQEJFYCBZVTCGG-JKSUJKDBSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000985439825 686733729 /nfs/dbraw/zinc/73/37/29/686733729.db2.gz AQEJFYCBZVTCGG-JKSUJKDBSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000985439825 686733732 /nfs/dbraw/zinc/73/37/32/686733732.db2.gz AQEJFYCBZVTCGG-JKSUJKDBSA-N 2 1 327.900 2.392 20 30 EEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541927 692788034 /nfs/dbraw/zinc/78/80/34/692788034.db2.gz DGDINJRXENBCRR-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027541927 692788036 /nfs/dbraw/zinc/78/80/36/692788036.db2.gz DGDINJRXENBCRR-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027541927 692788040 /nfs/dbraw/zinc/78/80/40/692788040.db2.gz DGDINJRXENBCRR-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272715989 1191976514 /nfs/dbraw/zinc/97/65/14/1191976514.db2.gz BQTKOTKBGHNAFA-HXUWFJFHSA-N 2 1 331.504 2.200 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107645281 1193464255 /nfs/dbraw/zinc/46/42/55/1193464255.db2.gz VHEIBNUXOPYLJF-UYAOXDASSA-N 2 1 331.504 2.247 20 30 EEEDMP C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001105444242 1187183588 /nfs/dbraw/zinc/18/35/88/1187183588.db2.gz CDVLTYJMPHXVRA-TYKWCNGQSA-N 2 1 341.499 2.158 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001486124251 1193688619 /nfs/dbraw/zinc/68/86/19/1193688619.db2.gz NJLMLMWYIKQZPJ-FUHWJXTLSA-N 2 1 349.906 2.492 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485264691 1191710614 /nfs/dbraw/zinc/71/06/14/1191710614.db2.gz JIAZAVDHIDAMAC-SFHVURJKSA-N 2 1 342.487 2.084 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033414825 1194534035 /nfs/dbraw/zinc/53/40/35/1194534035.db2.gz FFVPELLPDJVHIS-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033414825 1194534037 /nfs/dbraw/zinc/53/40/37/1194534037.db2.gz FFVPELLPDJVHIS-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033414825 1194534040 /nfs/dbraw/zinc/53/40/40/1194534040.db2.gz FFVPELLPDJVHIS-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304327 1196093144 /nfs/dbraw/zinc/09/31/44/1196093144.db2.gz RQEDHZCXRHIYSU-MRXNPFEDSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304646 1196094294 /nfs/dbraw/zinc/09/42/94/1196094294.db2.gz WKCNVFLLWLHDBN-MRXNPFEDSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034413400 1196210620 /nfs/dbraw/zinc/21/06/20/1196210620.db2.gz IBKLXPHTZDCTNA-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034413400 1196210624 /nfs/dbraw/zinc/21/06/24/1196210624.db2.gz IBKLXPHTZDCTNA-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034413400 1196210625 /nfs/dbraw/zinc/21/06/25/1196210625.db2.gz IBKLXPHTZDCTNA-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001202540357 1198894745 /nfs/dbraw/zinc/89/47/45/1198894745.db2.gz VXNNBSWMMMACFQ-UHFFFAOYSA-N 2 1 349.906 2.494 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132140551 1199349075 /nfs/dbraw/zinc/34/90/75/1199349075.db2.gz IWRBZYLAMPCUCL-SJORKVTESA-N 2 1 330.476 2.453 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132140550 1199349737 /nfs/dbraw/zinc/34/97/37/1199349737.db2.gz IWRBZYLAMPCUCL-IRXDYDNUSA-N 2 1 330.476 2.453 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132409869 1199676554 /nfs/dbraw/zinc/67/65/54/1199676554.db2.gz GAPDLVGDJMEWGS-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132409869 1199676555 /nfs/dbraw/zinc/67/65/55/1199676555.db2.gz GAPDLVGDJMEWGS-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001132409869 1199676557 /nfs/dbraw/zinc/67/65/57/1199676557.db2.gz GAPDLVGDJMEWGS-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001132409869 1199676559 /nfs/dbraw/zinc/67/65/59/1199676559.db2.gz GAPDLVGDJMEWGS-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132411395 1199680773 /nfs/dbraw/zinc/68/07/73/1199680773.db2.gz ZDARCUQIMXBZTA-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132411395 1199680778 /nfs/dbraw/zinc/68/07/78/1199680778.db2.gz ZDARCUQIMXBZTA-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132411395 1199680782 /nfs/dbraw/zinc/68/07/82/1199680782.db2.gz ZDARCUQIMXBZTA-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCOc1ccccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877747154 1200071775 /nfs/dbraw/zinc/07/17/75/1200071775.db2.gz BDCMROGSIHZIKO-UHFFFAOYSA-N 2 1 329.488 2.463 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001275367419 1205324017 /nfs/dbraw/zinc/32/40/17/1205324017.db2.gz KSTAGEMGMGFTEX-HDICACEKSA-N 2 1 337.471 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001443337458 1205389851 /nfs/dbraw/zinc/38/98/51/1205389851.db2.gz VEVJYRKYAQRRNT-UHFFFAOYSA-N 2 1 327.900 2.394 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2CC1 ZINC001275968592 1205607902 /nfs/dbraw/zinc/60/79/02/1205607902.db2.gz DOWVLJKGLAIVEN-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2CC1 ZINC001275968592 1205607903 /nfs/dbraw/zinc/60/79/03/1205607903.db2.gz DOWVLJKGLAIVEN-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2CC1 ZINC001275968592 1205607904 /nfs/dbraw/zinc/60/79/04/1205607904.db2.gz DOWVLJKGLAIVEN-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2CC1 ZINC001275968592 1205607905 /nfs/dbraw/zinc/60/79/05/1205607905.db2.gz DOWVLJKGLAIVEN-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2CC1 ZINC001275968592 1205607906 /nfs/dbraw/zinc/60/79/06/1205607906.db2.gz DOWVLJKGLAIVEN-BGYRXZFFSA-N 2 1 326.488 2.264 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2-n2cc[nH+]c2C)C1=O ZINC001276054733 1205754473 /nfs/dbraw/zinc/75/44/73/1205754473.db2.gz WVVSKMKKIHCDBC-NRFANRHFSA-N 2 1 348.450 2.381 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2-n2cc[nH+]c2C)C1=O ZINC001276054733 1205754474 /nfs/dbraw/zinc/75/44/74/1205754474.db2.gz WVVSKMKKIHCDBC-NRFANRHFSA-N 2 1 348.450 2.381 20 30 EEEDMP N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001015273831 1225018895 /nfs/dbraw/zinc/01/88/95/1225018895.db2.gz FSDSXNHQDWWHBJ-GOSISDBHSA-N 2 1 345.406 2.210 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001015273831 1225018904 /nfs/dbraw/zinc/01/89/04/1225018904.db2.gz FSDSXNHQDWWHBJ-GOSISDBHSA-N 2 1 345.406 2.210 20 30 EEEDMP C[NH+]=C(NCc1c(C)noc1C)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000155814480 1208336619 /nfs/dbraw/zinc/33/66/19/1208336619.db2.gz XRGPIJDEZAZSFH-CYBMUJFWSA-N 2 1 335.496 2.467 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947568094 1208624249 /nfs/dbraw/zinc/62/42/49/1208624249.db2.gz JDEBINRDLFFPJL-HKUYNNGSSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C[C@@H]1C ZINC000947723359 1208687331 /nfs/dbraw/zinc/68/73/31/1208687331.db2.gz VKNLITPEBANVKK-HOTGVXAUSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000947723359 1208687332 /nfs/dbraw/zinc/68/73/32/1208687332.db2.gz VKNLITPEBANVKK-HOTGVXAUSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000947723359 1208687334 /nfs/dbraw/zinc/68/73/34/1208687334.db2.gz VKNLITPEBANVKK-HOTGVXAUSA-N 2 1 346.475 2.429 20 30 EEEDMP C#CCNC(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)=[NH+]C ZINC000083518518 1211486034 /nfs/dbraw/zinc/48/60/34/1211486034.db2.gz CEPHHUJHCVWQQN-HNNXBMFYSA-N 2 1 338.377 2.078 20 30 EEEDMP C#CCNC(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)=[NH+]C ZINC000083518518 1211486037 /nfs/dbraw/zinc/48/60/37/1211486037.db2.gz CEPHHUJHCVWQQN-HNNXBMFYSA-N 2 1 338.377 2.078 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000957569172 1215219562 /nfs/dbraw/zinc/21/95/62/1215219562.db2.gz YKNTWHBNQVTMIZ-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)ccc1OC(F)F ZINC000305007613 1216131608 /nfs/dbraw/zinc/13/16/08/1216131608.db2.gz JJOVXJLMOKGGKQ-CQSZACIVSA-N 2 1 340.418 2.485 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961219763 1217095000 /nfs/dbraw/zinc/09/50/00/1217095000.db2.gz KEUGGVULIMHXLC-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000961367007 1217160649 /nfs/dbraw/zinc/16/06/49/1217160649.db2.gz KPXXAOQIIBKHFC-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961367007 1217160651 /nfs/dbraw/zinc/16/06/51/1217160651.db2.gz KPXXAOQIIBKHFC-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961367007 1217160652 /nfs/dbraw/zinc/16/06/52/1217160652.db2.gz KPXXAOQIIBKHFC-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000961376348 1217164727 /nfs/dbraw/zinc/16/47/27/1217164727.db2.gz SBJCJSLFGWSKQA-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000961376348 1217164729 /nfs/dbraw/zinc/16/47/29/1217164729.db2.gz SBJCJSLFGWSKQA-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CC)C2)CC1 ZINC000961376348 1217164731 /nfs/dbraw/zinc/16/47/31/1217164731.db2.gz SBJCJSLFGWSKQA-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CC)C2)CC1 ZINC000961376348 1217164732 /nfs/dbraw/zinc/16/47/32/1217164732.db2.gz SBJCJSLFGWSKQA-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961384164 1217168326 /nfs/dbraw/zinc/16/83/26/1217168326.db2.gz NQMXRJDRPRCBFM-LJQANCHMSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961384164 1217168329 /nfs/dbraw/zinc/16/83/29/1217168329.db2.gz NQMXRJDRPRCBFM-LJQANCHMSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961407359 1217178678 /nfs/dbraw/zinc/17/86/78/1217178678.db2.gz XFQFYWYVDRDING-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961407359 1217178680 /nfs/dbraw/zinc/17/86/80/1217178680.db2.gz XFQFYWYVDRDING-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961407359 1217178681 /nfs/dbraw/zinc/17/86/81/1217178681.db2.gz XFQFYWYVDRDING-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963352482 1217546809 /nfs/dbraw/zinc/54/68/09/1217546809.db2.gz NPNIPOHXTLLLRG-FUHWJXTLSA-N 2 1 343.471 2.291 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000962255790 1217573772 /nfs/dbraw/zinc/57/37/72/1217573772.db2.gz PLOTZEGMNLMFNH-BWTSREIZSA-N 2 1 331.504 2.121 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963413245 1217609360 /nfs/dbraw/zinc/60/93/60/1217609360.db2.gz CTLAKAJMIBWIOE-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963413245 1217609362 /nfs/dbraw/zinc/60/93/62/1217609362.db2.gz CTLAKAJMIBWIOE-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963413244 1217609478 /nfs/dbraw/zinc/60/94/78/1217609478.db2.gz CTLAKAJMIBWIOE-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963413244 1217609479 /nfs/dbraw/zinc/60/94/79/1217609479.db2.gz CTLAKAJMIBWIOE-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1CC ZINC001037884330 1219960671 /nfs/dbraw/zinc/96/06/71/1219960671.db2.gz YBNJDHUFNBRLJY-HOTGVXAUSA-N 2 1 330.476 2.165 20 30 EEEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037936426 1220537269 /nfs/dbraw/zinc/53/72/69/1220537269.db2.gz SHYLFPVLAMAXTP-IRXDYDNUSA-N 2 1 330.476 2.247 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928466 1221679176 /nfs/dbraw/zinc/67/91/76/1221679176.db2.gz LNRUVYOQECKZTN-RBUKOAKNSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928466 1221679178 /nfs/dbraw/zinc/67/91/78/1221679178.db2.gz LNRUVYOQECKZTN-RBUKOAKNSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001016654678 1226735438 /nfs/dbraw/zinc/73/54/38/1226735438.db2.gz IZEXOTGXRFUVIR-HZPDHXFCSA-N 2 1 328.460 2.307 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001019383796 1229054689 /nfs/dbraw/zinc/05/46/89/1229054689.db2.gz NGZUGNDBUYQPLJ-XJKSGUPXSA-N 2 1 331.863 2.142 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001020214021 1229558654 /nfs/dbraw/zinc/55/86/54/1229558654.db2.gz DVHWVKGVJVZGBI-ZQIUZPCESA-N 2 1 346.500 2.231 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001020251700 1229583753 /nfs/dbraw/zinc/58/37/53/1229583753.db2.gz ZXOQFOGESROCIK-BZSNNMDCSA-N 2 1 345.512 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001020251700 1229583756 /nfs/dbraw/zinc/58/37/56/1229583756.db2.gz ZXOQFOGESROCIK-BZSNNMDCSA-N 2 1 345.512 2.199 20 30 EEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039131504 1230340277 /nfs/dbraw/zinc/34/02/77/1230340277.db2.gz NXZZYWZOYALSER-OALUTQOASA-N 2 1 331.504 2.075 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039135244 1230346908 /nfs/dbraw/zinc/34/69/08/1230346908.db2.gz ZGWBLHZEMGIWEF-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039135244 1230346912 /nfs/dbraw/zinc/34/69/12/1230346912.db2.gz ZGWBLHZEMGIWEF-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](C(C)C)C2)CC1 ZINC001039135244 1230346915 /nfs/dbraw/zinc/34/69/15/1230346915.db2.gz ZGWBLHZEMGIWEF-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](C(C)C)C2)CC1 ZINC001039135244 1230346916 /nfs/dbraw/zinc/34/69/16/1230346916.db2.gz ZGWBLHZEMGIWEF-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001039423965 1230601853 /nfs/dbraw/zinc/60/18/53/1230601853.db2.gz VNCBFYCVUPCNOT-OTWHNJEPSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039423965 1230601856 /nfs/dbraw/zinc/60/18/56/1230601856.db2.gz VNCBFYCVUPCNOT-OTWHNJEPSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039423965 1230601857 /nfs/dbraw/zinc/60/18/57/1230601857.db2.gz VNCBFYCVUPCNOT-OTWHNJEPSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040242720 1231128340 /nfs/dbraw/zinc/12/83/40/1231128340.db2.gz ZZFNMTASECDMAG-TZIWHRDSSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040242720 1231128344 /nfs/dbraw/zinc/12/83/44/1231128344.db2.gz ZZFNMTASECDMAG-TZIWHRDSSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040242720 1231128345 /nfs/dbraw/zinc/12/83/45/1231128345.db2.gz ZZFNMTASECDMAG-TZIWHRDSSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040731874 1231351234 /nfs/dbraw/zinc/35/12/34/1231351234.db2.gz CRZNCIGWUIPSFQ-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041680819 1231648239 /nfs/dbraw/zinc/64/82/39/1231648239.db2.gz VWEJQILIKMKWAJ-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041680819 1231648242 /nfs/dbraw/zinc/64/82/42/1231648242.db2.gz VWEJQILIKMKWAJ-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726302 1231663591 /nfs/dbraw/zinc/66/35/91/1231663591.db2.gz VFWVJFGOJHCNSM-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042308558 1232019718 /nfs/dbraw/zinc/01/97/18/1232019718.db2.gz WMBLQNZIBDTIMS-ICSRJNTNSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCC(=C)C)[C@H]3C2)CC1 ZINC001042369461 1232050709 /nfs/dbraw/zinc/05/07/09/1232050709.db2.gz YJTAEXLPRJJXMK-ICSRJNTNSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943948 1234203703 /nfs/dbraw/zinc/20/37/03/1234203703.db2.gz RZHJDRYVZATIDF-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950789 1234216561 /nfs/dbraw/zinc/21/65/61/1234216561.db2.gz LUSOQRVPKPUGGV-FQEVSTJZSA-N 2 1 336.439 2.286 20 30 EEEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046317947 1234663125 /nfs/dbraw/zinc/66/31/25/1234663125.db2.gz JITSMIYMQUCQPO-PXNSSMCTSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046317947 1234663127 /nfs/dbraw/zinc/66/31/27/1234663127.db2.gz JITSMIYMQUCQPO-PXNSSMCTSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046317947 1234663130 /nfs/dbraw/zinc/66/31/30/1234663130.db2.gz JITSMIYMQUCQPO-PXNSSMCTSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001046950903 1235346977 /nfs/dbraw/zinc/34/69/77/1235346977.db2.gz MSMKZSCKZXHBQC-HNNXBMFYSA-N 2 1 341.446 2.264 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001048820401 1238739098 /nfs/dbraw/zinc/73/90/98/1238739098.db2.gz HUAXXJPPQMTCCM-IYBDPMFKSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048828384 1238759830 /nfs/dbraw/zinc/75/98/30/1238759830.db2.gz VAZLIBWBZUZYTN-YESZJQIVSA-N 2 1 330.476 2.363 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048828384 1238759836 /nfs/dbraw/zinc/75/98/36/1238759836.db2.gz VAZLIBWBZUZYTN-YESZJQIVSA-N 2 1 330.476 2.363 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001000208587 1240062044 /nfs/dbraw/zinc/06/20/44/1240062044.db2.gz MKPZMQQXDFNARY-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477882 1241073975 /nfs/dbraw/zinc/07/39/75/1241073975.db2.gz JUJDVRSYGYVPMW-MSOLQXFVSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=C)C ZINC001049528868 1241260691 /nfs/dbraw/zinc/26/06/91/1241260691.db2.gz IRAIMMAGQKAHRE-QYZOEREBSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=C)C ZINC001049528868 1241260697 /nfs/dbraw/zinc/26/06/97/1241260697.db2.gz IRAIMMAGQKAHRE-QYZOEREBSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=C)C ZINC001049528868 1241260710 /nfs/dbraw/zinc/26/07/10/1241260710.db2.gz IRAIMMAGQKAHRE-QYZOEREBSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=C)C ZINC001049528868 1241260718 /nfs/dbraw/zinc/26/07/18/1241260718.db2.gz IRAIMMAGQKAHRE-QYZOEREBSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001049720939 1241991530 /nfs/dbraw/zinc/99/15/30/1241991530.db2.gz UZOKHZRZTRXHJN-MBOZVWFJSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049720939 1241991535 /nfs/dbraw/zinc/99/15/35/1241991535.db2.gz UZOKHZRZTRXHJN-MBOZVWFJSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049720939 1241991540 /nfs/dbraw/zinc/99/15/40/1241991540.db2.gz UZOKHZRZTRXHJN-MBOZVWFJSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCCC)CC1 ZINC001049909733 1242657286 /nfs/dbraw/zinc/65/72/86/1242657286.db2.gz CBUVCYCDGOXLJQ-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049909810 1242658686 /nfs/dbraw/zinc/65/86/86/1242658686.db2.gz CRHMILJRYRVYNN-PMACEKPBSA-N 2 1 339.483 2.450 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3C[C@@H](F)CC)CC1 ZINC001049909738 1242659260 /nfs/dbraw/zinc/65/92/60/1242659260.db2.gz CDLJDCKLLAZETG-IPMKNSEASA-N 2 1 349.494 2.145 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049928052 1242749579 /nfs/dbraw/zinc/74/95/79/1242749579.db2.gz ZZQLDHGRRPKEFP-QZTJIDSGSA-N 2 1 343.471 2.434 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCC(C)C)C[C@H]32)CC1 ZINC001050208514 1243124396 /nfs/dbraw/zinc/12/43/96/1243124396.db2.gz MSWPWBUTXGHFGF-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001050545362 1243820548 /nfs/dbraw/zinc/82/05/48/1243820548.db2.gz BZPVHPJVZGZPQF-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218947 1243842161 /nfs/dbraw/zinc/84/21/61/1243842161.db2.gz NHHMBUXRPUZVMY-YRXWBPOGSA-N 2 1 329.488 2.138 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218947 1243842167 /nfs/dbraw/zinc/84/21/67/1243842167.db2.gz NHHMBUXRPUZVMY-YRXWBPOGSA-N 2 1 329.488 2.138 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097218947 1243842176 /nfs/dbraw/zinc/84/21/76/1243842176.db2.gz NHHMBUXRPUZVMY-YRXWBPOGSA-N 2 1 329.488 2.138 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097218947 1243842184 /nfs/dbraw/zinc/84/21/84/1243842184.db2.gz NHHMBUXRPUZVMY-YRXWBPOGSA-N 2 1 329.488 2.138 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097516213 1244290730 /nfs/dbraw/zinc/29/07/30/1244290730.db2.gz RLUFZISEWGCRSX-NXHRZFHOSA-N 2 1 337.427 2.179 20 30 EEEDMP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)cccc2C1 ZINC001051299465 1245499557 /nfs/dbraw/zinc/49/95/57/1245499557.db2.gz LOKHPTZQSUTWMF-OXJNMPFZSA-N 2 1 341.499 2.435 20 30 EEEDMP C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)cccc2C1 ZINC001051299465 1245499561 /nfs/dbraw/zinc/49/95/61/1245499561.db2.gz LOKHPTZQSUTWMF-OXJNMPFZSA-N 2 1 341.499 2.435 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)cccc2C1 ZINC001051299465 1245499565 /nfs/dbraw/zinc/49/95/65/1245499565.db2.gz LOKHPTZQSUTWMF-OXJNMPFZSA-N 2 1 341.499 2.435 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001052937223 1245513708 /nfs/dbraw/zinc/51/37/08/1245513708.db2.gz IQBHCOCNVHUENL-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257224 1245582379 /nfs/dbraw/zinc/58/23/79/1245582379.db2.gz LBWMODYKAKBJDI-RYRKJORJSA-N 2 1 325.472 2.023 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001054133563 1247484778 /nfs/dbraw/zinc/48/47/78/1247484778.db2.gz GEULWRNLPHSQNO-FXAWDEMLSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001054133563 1247484781 /nfs/dbraw/zinc/48/47/81/1247484781.db2.gz GEULWRNLPHSQNO-FXAWDEMLSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142516 1247510071 /nfs/dbraw/zinc/51/00/71/1247510071.db2.gz FBHBHXKDYKYJNA-ICSRJNTNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142516 1247510077 /nfs/dbraw/zinc/51/00/77/1247510077.db2.gz FBHBHXKDYKYJNA-ICSRJNTNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142516 1247510083 /nfs/dbraw/zinc/51/00/83/1247510083.db2.gz FBHBHXKDYKYJNA-ICSRJNTNSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054196574 1247684413 /nfs/dbraw/zinc/68/44/13/1247684413.db2.gz JMOXXSUFSDMNTO-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054196574 1247684420 /nfs/dbraw/zinc/68/44/20/1247684420.db2.gz JMOXXSUFSDMNTO-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054196574 1247684428 /nfs/dbraw/zinc/68/44/28/1247684428.db2.gz JMOXXSUFSDMNTO-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001072910266 1255482517 /nfs/dbraw/zinc/48/25/17/1255482517.db2.gz YDPLGZSYRBVMQN-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001072910266 1255482529 /nfs/dbraw/zinc/48/25/29/1255482529.db2.gz YDPLGZSYRBVMQN-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001072910266 1255482537 /nfs/dbraw/zinc/48/25/37/1255482537.db2.gz YDPLGZSYRBVMQN-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099530017 1258193116 /nfs/dbraw/zinc/19/31/16/1258193116.db2.gz ZCTVICCXCXQYNY-RDGPPVDQSA-N 2 1 345.531 2.156 20 30 EEEDMP CC#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001099530017 1258193120 /nfs/dbraw/zinc/19/31/20/1258193120.db2.gz ZCTVICCXCXQYNY-RDGPPVDQSA-N 2 1 345.531 2.156 20 30 EEEDMP CC#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001099530017 1258193123 /nfs/dbraw/zinc/19/31/23/1258193123.db2.gz ZCTVICCXCXQYNY-RDGPPVDQSA-N 2 1 345.531 2.156 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001101066897 1259654679 /nfs/dbraw/zinc/65/46/79/1259654679.db2.gz QAHQLHWGPAVBAT-UHFFFAOYSA-N 2 1 335.879 2.355 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001101066897 1259654690 /nfs/dbraw/zinc/65/46/90/1259654690.db2.gz QAHQLHWGPAVBAT-UHFFFAOYSA-N 2 1 335.879 2.355 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186598076 1279169849 /nfs/dbraw/zinc/16/98/49/1279169849.db2.gz OFPRBOWCZWIVSH-SFHVURJKSA-N 2 1 333.520 2.302 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188673264 1279982708 /nfs/dbraw/zinc/98/27/08/1279982708.db2.gz HHPGWYDCWPJPHF-IPMKNSEASA-N 2 1 331.504 2.360 20 30 EEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191050685 1281208704 /nfs/dbraw/zinc/20/87/04/1281208704.db2.gz LBEUIPCDVHDOQY-GOSISDBHSA-N 2 1 330.476 2.407 20 30 EEEDMP C=C(C)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198959402 1285443215 /nfs/dbraw/zinc/44/32/15/1285443215.db2.gz AQBFMHLITOGRGL-FUHWJXTLSA-N 2 1 345.487 2.360 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110615089 1291585317 /nfs/dbraw/zinc/58/53/17/1291585317.db2.gz FPGVLXJGHCAMKZ-VQHPVUNQSA-N 2 1 325.472 2.354 20 30 EEEDMP C#C[C@@H](CC)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000854073534 1292609429 /nfs/dbraw/zinc/60/94/29/1292609429.db2.gz WLVZIBIBCJNHAF-SFHVURJKSA-N 2 1 348.535 2.236 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000854676737 1292917042 /nfs/dbraw/zinc/91/70/42/1292917042.db2.gz UTIUZNAPVQTBFV-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000854676737 1292917048 /nfs/dbraw/zinc/91/70/48/1292917048.db2.gz UTIUZNAPVQTBFV-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734796 1296073149 /nfs/dbraw/zinc/07/31/49/1296073149.db2.gz QDJIXLBYNXCABA-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072734796 1296073160 /nfs/dbraw/zinc/07/31/60/1296073160.db2.gz QDJIXLBYNXCABA-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734796 1296073170 /nfs/dbraw/zinc/07/31/70/1296073170.db2.gz QDJIXLBYNXCABA-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072812024 1296171886 /nfs/dbraw/zinc/17/18/86/1296171886.db2.gz PTYJZXIKYGTOOU-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072812024 1296171893 /nfs/dbraw/zinc/17/18/93/1296171893.db2.gz PTYJZXIKYGTOOU-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072812024 1296171895 /nfs/dbraw/zinc/17/18/95/1296171895.db2.gz PTYJZXIKYGTOOU-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+]1CCCC1 ZINC001099555688 1299217351 /nfs/dbraw/zinc/21/73/51/1299217351.db2.gz BROCSMXZJQVDOR-YRPNKDGESA-N 2 1 343.515 2.055 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292648 1300754642 /nfs/dbraw/zinc/75/46/42/1300754642.db2.gz XBYBMQMTQRURLJ-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001225578483 1301072282 /nfs/dbraw/zinc/07/22/82/1301072282.db2.gz TZUJPAIOCYGXLY-UHFFFAOYSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103147982 1302318612 /nfs/dbraw/zinc/31/86/12/1302318612.db2.gz IZSRWUPOHAHABQ-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001103147982 1302318620 /nfs/dbraw/zinc/31/86/20/1302318620.db2.gz IZSRWUPOHAHABQ-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001103147982 1302318632 /nfs/dbraw/zinc/31/86/32/1302318632.db2.gz IZSRWUPOHAHABQ-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001228604310 1302334720 /nfs/dbraw/zinc/33/47/20/1302334720.db2.gz ZZSNPTPSLFCEMD-MDZRGWNJSA-N 2 1 337.483 2.239 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001111753975 1303842863 /nfs/dbraw/zinc/84/28/63/1303842863.db2.gz GEIXMMPDZYPKJF-UWVAXJGDSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001111753975 1303842868 /nfs/dbraw/zinc/84/28/68/1303842868.db2.gz GEIXMMPDZYPKJF-UWVAXJGDSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCC)C1 ZINC001112404033 1304525843 /nfs/dbraw/zinc/52/58/43/1304525843.db2.gz AUDXCWMORYXZSV-ZJOUEHCJSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCC)C1 ZINC001112404033 1304525847 /nfs/dbraw/zinc/52/58/47/1304525847.db2.gz AUDXCWMORYXZSV-ZJOUEHCJSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768779 1305752960 /nfs/dbraw/zinc/75/29/60/1305752960.db2.gz GSBPBAGHUFAWAQ-ROUUACIJSA-N 2 1 331.504 2.435 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001121134115 1309926337 /nfs/dbraw/zinc/92/63/37/1309926337.db2.gz UFHUARRVABYGEA-AKJOHPPZSA-N 2 1 342.487 2.437 20 30 EEEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001122543194 1310327202 /nfs/dbraw/zinc/32/72/02/1310327202.db2.gz CIODGHUXKPRBET-IRXDYDNUSA-N 2 1 346.523 2.194 20 30 EEEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001122543194 1310327211 /nfs/dbraw/zinc/32/72/11/1310327211.db2.gz CIODGHUXKPRBET-IRXDYDNUSA-N 2 1 346.523 2.194 20 30 EEEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001122543194 1310327219 /nfs/dbraw/zinc/32/72/19/1310327219.db2.gz CIODGHUXKPRBET-IRXDYDNUSA-N 2 1 346.523 2.194 20 30 EEEDMP COC(=O)[C@H]1C[C@H]([NH3+])C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246798324 1310432318 /nfs/dbraw/zinc/43/23/18/1310432318.db2.gz ROFVWUKFHKTOHJ-YBXZHIRMSA-N 2 1 341.455 2.407 20 30 EEEDMP COC(=O)[C@H]1C[C@H]([NH3+])C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246798324 1310432329 /nfs/dbraw/zinc/43/23/29/1310432329.db2.gz ROFVWUKFHKTOHJ-YBXZHIRMSA-N 2 1 341.455 2.407 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)s1 ZINC001160867060 1320296221 /nfs/dbraw/zinc/29/62/21/1320296221.db2.gz DXXZQTZKLSKLSY-WMLDXEAASA-N 2 1 346.500 2.233 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070809 1316145719 /nfs/dbraw/zinc/14/57/19/1316145719.db2.gz LIFBIFVEKRWQQU-KRWDZBQOSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150300006 1316230596 /nfs/dbraw/zinc/23/05/96/1316230596.db2.gz XAEIHSZJVIJMCH-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CCOC)(NC(=O)CCC[NH+](C)C)CC1 ZINC001151275551 1316493633 /nfs/dbraw/zinc/49/36/33/1316493633.db2.gz RGUOIWGCFNUIFD-UHFFFAOYSA-N 2 1 345.915 2.068 20 30 EEEDMP C=CCOC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001252463445 1317606613 /nfs/dbraw/zinc/60/66/13/1317606613.db2.gz OOSMHHGUBQOMDB-SFHVURJKSA-N 2 1 334.460 2.131 20 30 EEEDMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC#Cc1ccccc1 ZINC001158445660 1319243528 /nfs/dbraw/zinc/24/35/28/1319243528.db2.gz NAIWESYTYRXTNO-HXUWFJFHSA-N 2 1 341.499 2.303 20 30 EEEDMP C#CCN(C)C[C@H]1CCCCN1C(=O)c1cccc(-n2ccnc2)c1 ZINC001158689475 1319379425 /nfs/dbraw/zinc/37/94/25/1319379425.db2.gz KUOJTZGCJBQKTE-LJQANCHMSA-N 2 1 336.439 2.432 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001160273709 1320119812 /nfs/dbraw/zinc/11/98/12/1320119812.db2.gz NRFZDZDJDVCWFK-CQSZACIVSA-N 2 1 334.489 2.090 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160352814 1320141837 /nfs/dbraw/zinc/14/18/37/1320141837.db2.gz NECDLSXOOIQJSU-IBGZPJMESA-N 2 1 331.504 2.126 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352814 1320141840 /nfs/dbraw/zinc/14/18/40/1320141840.db2.gz NECDLSXOOIQJSU-IBGZPJMESA-N 2 1 331.504 2.126 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352814 1320141842 /nfs/dbraw/zinc/14/18/42/1320141842.db2.gz NECDLSXOOIQJSU-IBGZPJMESA-N 2 1 331.504 2.126 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001160559411 1320196814 /nfs/dbraw/zinc/19/68/14/1320196814.db2.gz IXXWLKHHIYZIJQ-UHFFFAOYSA-N 2 1 332.448 2.064 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001160559411 1320196818 /nfs/dbraw/zinc/19/68/18/1320196818.db2.gz IXXWLKHHIYZIJQ-UHFFFAOYSA-N 2 1 332.448 2.064 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161953292 1320692858 /nfs/dbraw/zinc/69/28/58/1320692858.db2.gz SBCSSGSJSLGNJE-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001166626676 1321752937 /nfs/dbraw/zinc/75/29/37/1321752937.db2.gz IZCVVSKMZWRVHX-MRXNPFEDSA-N 2 1 347.890 2.272 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001206953617 1323739397 /nfs/dbraw/zinc/73/93/97/1323739397.db2.gz VUGVMCOVOLAARX-UHFFFAOYSA-N 2 1 342.487 2.227 20 30 EEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049874 1324289394 /nfs/dbraw/zinc/28/93/94/1324289394.db2.gz RRVUELFWNIFHJL-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001208453640 1324506277 /nfs/dbraw/zinc/50/62/77/1324506277.db2.gz MBJDJMNQGCGSFV-CQSZACIVSA-N 2 1 348.516 2.431 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209931227 1325101016 /nfs/dbraw/zinc/10/10/16/1325101016.db2.gz IURKJYUUVWRFJZ-KRWDZBQOSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001210349256 1325249437 /nfs/dbraw/zinc/24/94/37/1325249437.db2.gz ITXVHFUKFXRANO-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001317943186 1332447900 /nfs/dbraw/zinc/44/79/00/1332447900.db2.gz DIEZEEQJPQDLNE-GOSISDBHSA-N 2 1 347.890 2.224 20 30 EEEDMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001317943186 1332447904 /nfs/dbraw/zinc/44/79/04/1332447904.db2.gz DIEZEEQJPQDLNE-GOSISDBHSA-N 2 1 347.890 2.224 20 30 EEEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC001335385390 1336369199 /nfs/dbraw/zinc/36/91/99/1336369199.db2.gz ZJSWJVHZLSFMCW-HKUYNNGSSA-N 2 1 345.487 2.346 20 30 EEEDMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC001646520950 1352861631 /nfs/dbraw/zinc/86/16/31/1352861631.db2.gz QMIIKDZPTMTGQH-IAGOWNOFSA-N 2 1 331.460 2.008 20 30 EEEDMP CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001373227486 1376498881 /nfs/dbraw/zinc/49/88/81/1376498881.db2.gz OTLUIJCWPGACKA-LPHOPBHVSA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001375111545 1377380184 /nfs/dbraw/zinc/38/01/84/1377380184.db2.gz HEKYCUREANLLIV-INIZCTEOSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001377208830 1379036664 /nfs/dbraw/zinc/03/66/64/1379036664.db2.gz SARRTVAXQUNKBQ-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001377208830 1379036666 /nfs/dbraw/zinc/03/66/66/1379036666.db2.gz SARRTVAXQUNKBQ-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001752798215 1406417536 /nfs/dbraw/zinc/41/75/36/1406417536.db2.gz WEMKUWOETXPTRQ-RTBURBONSA-N 2 1 345.531 2.493 20 30 EEEDMP CC[C@@H](C(=O)NCC[N@H+](C)CC#Cc1ccccc1)[NH+](CC)CC ZINC001753064092 1406658211 /nfs/dbraw/zinc/65/82/11/1406658211.db2.gz KDBQATQVIDQNMV-IBGZPJMESA-N 2 1 329.488 2.207 20 30 EEEDMP CC[C@@H](C(=O)NCC[N@@H+](C)CC#Cc1ccccc1)[NH+](CC)CC ZINC001753064092 1406658219 /nfs/dbraw/zinc/65/82/19/1406658219.db2.gz KDBQATQVIDQNMV-IBGZPJMESA-N 2 1 329.488 2.207 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001398750521 1394174548 /nfs/dbraw/zinc/17/45/48/1394174548.db2.gz IIXLZGPYCSEPSK-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001398750521 1394174550 /nfs/dbraw/zinc/17/45/50/1394174550.db2.gz IIXLZGPYCSEPSK-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001753967038 1406783240 /nfs/dbraw/zinc/78/32/40/1406783240.db2.gz MRUCJJSXNVGADN-YZGWKJHDSA-N 2 1 341.499 2.253 20 30 EEEDMP CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001400178105 1396012827 /nfs/dbraw/zinc/01/28/27/1396012827.db2.gz ABKCYBZFJSJSON-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001402409610 1397984784 /nfs/dbraw/zinc/98/47/84/1397984784.db2.gz AKULOTRAPWWIQX-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CCC1 ZINC001402566437 1398062355 /nfs/dbraw/zinc/06/23/55/1398062355.db2.gz PWPNTFHJXCCRGU-GOSISDBHSA-N 2 1 340.471 2.171 20 30 EEEDMP C=CC[NH2+]C1(CC)CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001755071707 1407080093 /nfs/dbraw/zinc/08/00/93/1407080093.db2.gz DOZMFGZORONLEM-UHFFFAOYSA-N 2 1 337.508 2.036 20 30 EEEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001755185054 1407190279 /nfs/dbraw/zinc/19/02/79/1407190279.db2.gz UDPOMYORJKXXBE-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001755204827 1407216815 /nfs/dbraw/zinc/21/68/15/1407216815.db2.gz NOVAZYWDXIGUKE-ROUUACIJSA-N 2 1 333.520 2.465 20 30 EEEDMP C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001755498874 1407543186 /nfs/dbraw/zinc/54/31/86/1407543186.db2.gz PILNNYYLVJQSQY-JJRVBVJISA-N 2 1 348.516 2.334 20 30 EEEDMP Cc1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1CC#N ZINC001164680627 719643924 /nfs/dbraw/zinc/64/39/24/719643924.db2.gz ZKQJODQIXZYDEW-UHFFFAOYSA-N 2 1 338.459 2.128 20 30 EEEDMP Cc1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1CC#N ZINC001164680627 719643933 /nfs/dbraw/zinc/64/39/33/719643933.db2.gz ZKQJODQIXZYDEW-UHFFFAOYSA-N 2 1 338.459 2.128 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104290829 758127143 /nfs/dbraw/zinc/12/71/43/758127143.db2.gz FLBRLBIYWDNLPT-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167471768 759728712 /nfs/dbraw/zinc/72/87/12/759728712.db2.gz NGAKFEXBBYFBBO-UHFFFAOYSA-N 2 1 343.269 2.011 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC=C)CC(C)(C)C1 ZINC001089408443 768829872 /nfs/dbraw/zinc/82/98/72/768829872.db2.gz AAZWYDSSKGLWDE-ROUUACIJSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC=C)CC(C)(C)C1 ZINC001089408443 768829886 /nfs/dbraw/zinc/82/98/86/768829886.db2.gz AAZWYDSSKGLWDE-ROUUACIJSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC=C)CC(C)(C)C1 ZINC001089408443 768829899 /nfs/dbraw/zinc/82/98/99/768829899.db2.gz AAZWYDSSKGLWDE-ROUUACIJSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC=C)CC(C)(C)C1 ZINC001089408443 768829907 /nfs/dbraw/zinc/82/99/07/768829907.db2.gz AAZWYDSSKGLWDE-ROUUACIJSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC=C)CC(C)(C)C1 ZINC001089408443 768829920 /nfs/dbraw/zinc/82/99/20/768829920.db2.gz AAZWYDSSKGLWDE-ROUUACIJSA-N 2 1 331.504 2.267 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993099 782735312 /nfs/dbraw/zinc/73/53/12/782735312.db2.gz ZPRQDZOXCIYHGS-IKGGRYGDSA-N 2 1 328.460 2.117 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993099 782735318 /nfs/dbraw/zinc/73/53/18/782735318.db2.gz ZPRQDZOXCIYHGS-IKGGRYGDSA-N 2 1 328.460 2.117 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087994265 782737026 /nfs/dbraw/zinc/73/70/26/782737026.db2.gz ZESNKJCNKFAQFP-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087994265 782737030 /nfs/dbraw/zinc/73/70/30/782737030.db2.gz ZESNKJCNKFAQFP-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087994265 782737034 /nfs/dbraw/zinc/73/70/34/782737034.db2.gz ZESNKJCNKFAQFP-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087994266 782737158 /nfs/dbraw/zinc/73/71/58/782737158.db2.gz ZESNKJCNKFAQFP-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087994266 782737167 /nfs/dbraw/zinc/73/71/67/782737167.db2.gz ZESNKJCNKFAQFP-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087994266 782737173 /nfs/dbraw/zinc/73/71/73/782737173.db2.gz ZESNKJCNKFAQFP-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106454 782920791 /nfs/dbraw/zinc/92/07/91/782920791.db2.gz BBDNMWHREDCXBC-UWVAXJGDSA-N 2 1 349.494 2.003 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106454 782920792 /nfs/dbraw/zinc/92/07/92/782920792.db2.gz BBDNMWHREDCXBC-UWVAXJGDSA-N 2 1 349.494 2.003 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106454 782920793 /nfs/dbraw/zinc/92/07/93/782920793.db2.gz BBDNMWHREDCXBC-UWVAXJGDSA-N 2 1 349.494 2.003 20 30 EEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530156 773427383 /nfs/dbraw/zinc/42/73/83/773427383.db2.gz GICNIFFRFTTXHE-UWVAXJGDSA-N 2 1 342.487 2.158 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779832 783199951 /nfs/dbraw/zinc/19/99/51/783199951.db2.gz UEESGTLOFVWFPS-ZACQAIPSSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779832 783199956 /nfs/dbraw/zinc/19/99/56/783199956.db2.gz UEESGTLOFVWFPS-ZACQAIPSSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779832 783199959 /nfs/dbraw/zinc/19/99/59/783199959.db2.gz UEESGTLOFVWFPS-ZACQAIPSSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CCCC[C@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC001212325141 775764012 /nfs/dbraw/zinc/76/40/12/775764012.db2.gz KEKCLAVFYSAGTQ-KRWDZBQOSA-N 2 1 339.443 2.292 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC000997623660 790468125 /nfs/dbraw/zinc/46/81/25/790468125.db2.gz HBOGFABJUOKKNM-AOIWGVFYSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC000997623660 790468128 /nfs/dbraw/zinc/46/81/28/790468128.db2.gz HBOGFABJUOKKNM-AOIWGVFYSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CCN1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000981169321 776663095 /nfs/dbraw/zinc/66/30/95/776663095.db2.gz RHEJSWSCXUVIGW-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169321 776663100 /nfs/dbraw/zinc/66/31/00/776663100.db2.gz RHEJSWSCXUVIGW-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169321 776663106 /nfs/dbraw/zinc/66/31/06/776663106.db2.gz RHEJSWSCXUVIGW-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000981169321 776663109 /nfs/dbraw/zinc/66/31/09/776663109.db2.gz RHEJSWSCXUVIGW-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000981169321 776663115 /nfs/dbraw/zinc/66/31/15/776663115.db2.gz RHEJSWSCXUVIGW-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001089828280 777216117 /nfs/dbraw/zinc/21/61/17/777216117.db2.gz RXKBCCUDPNNLJT-OBZTUIKSSA-N 2 1 348.450 2.058 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000981769067 778184076 /nfs/dbraw/zinc/18/40/76/778184076.db2.gz XHEORPMTMVNTHZ-UHFFFAOYSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981814256 778241227 /nfs/dbraw/zinc/24/12/27/778241227.db2.gz ZYEYYRKPURZDTF-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981814256 778241234 /nfs/dbraw/zinc/24/12/34/778241234.db2.gz ZYEYYRKPURZDTF-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001087436148 778667950 /nfs/dbraw/zinc/66/79/50/778667950.db2.gz ATGDWUJCHZZLRX-WOJBJXKFSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC000982021376 778902840 /nfs/dbraw/zinc/90/28/40/778902840.db2.gz FNPBHDJPRQPDMS-HZPDHXFCSA-N 2 1 328.460 2.024 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCC(=C)C)C3)CC1 ZINC000982162683 779181968 /nfs/dbraw/zinc/18/19/68/779181968.db2.gz YZDQTMXQWBXISC-UHFFFAOYSA-N 2 1 343.515 2.222 20 30 EEEDMP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481534 783837753 /nfs/dbraw/zinc/83/77/53/783837753.db2.gz VHZXRYAGLIFTRM-CVEARBPZSA-N 2 1 327.513 2.040 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574985 783886796 /nfs/dbraw/zinc/88/67/96/783886796.db2.gz NLYBNOCOKZPHMV-OALUTQOASA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574985 783886800 /nfs/dbraw/zinc/88/68/00/783886800.db2.gz NLYBNOCOKZPHMV-OALUTQOASA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948574985 783886805 /nfs/dbraw/zinc/88/68/05/783886805.db2.gz NLYBNOCOKZPHMV-OALUTQOASA-N 2 1 333.520 2.443 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135857325 784638277 /nfs/dbraw/zinc/63/82/77/784638277.db2.gz GTRXGEZLBDCXDK-HUUCEWRRSA-N 2 1 348.466 2.412 20 30 EEEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC001035772592 785152752 /nfs/dbraw/zinc/15/27/52/785152752.db2.gz GPQJGMDBSUHGTJ-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000818606069 785320978 /nfs/dbraw/zinc/32/09/78/785320978.db2.gz BYBRUTSCETTXCT-LJQANCHMSA-N 2 1 327.472 2.112 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000818606069 785320988 /nfs/dbraw/zinc/32/09/88/785320988.db2.gz BYBRUTSCETTXCT-LJQANCHMSA-N 2 1 327.472 2.112 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000818606069 785320997 /nfs/dbraw/zinc/32/09/97/785320997.db2.gz BYBRUTSCETTXCT-LJQANCHMSA-N 2 1 327.472 2.112 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609267 787895741 /nfs/dbraw/zinc/89/57/41/787895741.db2.gz LOYXEYJTLWOKMK-JFIYKMOQSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609267 787895754 /nfs/dbraw/zinc/89/57/54/787895754.db2.gz LOYXEYJTLWOKMK-JFIYKMOQSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609267 787895759 /nfs/dbraw/zinc/89/57/59/787895759.db2.gz LOYXEYJTLWOKMK-JFIYKMOQSA-N 2 1 339.911 2.442 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643233 787988348 /nfs/dbraw/zinc/98/83/48/787988348.db2.gz BVTQYMKHANXLMJ-UYAOXDASSA-N 2 1 331.504 2.247 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCCC1 ZINC001032453854 789839983 /nfs/dbraw/zinc/83/99/83/789839983.db2.gz RKZAVUFCJIPHOR-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCCC1 ZINC001032453854 789839989 /nfs/dbraw/zinc/83/99/89/789839989.db2.gz RKZAVUFCJIPHOR-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1 ZINC001032453854 789839997 /nfs/dbraw/zinc/83/99/97/789839997.db2.gz RKZAVUFCJIPHOR-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1 ZINC001032453854 789840001 /nfs/dbraw/zinc/84/00/01/789840001.db2.gz RKZAVUFCJIPHOR-UFYCRDLUSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998009344 791825822 /nfs/dbraw/zinc/82/58/22/791825822.db2.gz WNIAFQVDLVHSRI-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@H+](CCC)CC2)CC1 ZINC000998194691 792197732 /nfs/dbraw/zinc/19/77/32/792197732.db2.gz DTXMWTICNCSWOT-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001107981787 792351942 /nfs/dbraw/zinc/35/19/42/792351942.db2.gz GHAKKDQDXFMWKI-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC000998270680 792410960 /nfs/dbraw/zinc/41/09/60/792410960.db2.gz VGNBLPQGUDFPOO-LSDHHAIUSA-N 2 1 347.425 2.416 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CN2CCCC2)on1 ZINC001032629582 792590234 /nfs/dbraw/zinc/59/02/34/792590234.db2.gz DSDPZMUDFWWSFM-HOTGVXAUSA-N 2 1 344.459 2.135 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629582 792590239 /nfs/dbraw/zinc/59/02/39/792590239.db2.gz DSDPZMUDFWWSFM-HOTGVXAUSA-N 2 1 344.459 2.135 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999033849 793691914 /nfs/dbraw/zinc/69/19/14/793691914.db2.gz QFBRVVMECKEVLA-UYSNPLJNSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@]2(C)C1 ZINC001092301319 793776398 /nfs/dbraw/zinc/77/63/98/793776398.db2.gz CWNNLBIEYASRNJ-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092301319 793776406 /nfs/dbraw/zinc/77/64/06/793776406.db2.gz CWNNLBIEYASRNJ-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092301319 793776412 /nfs/dbraw/zinc/77/64/12/793776412.db2.gz CWNNLBIEYASRNJ-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092301319 793776422 /nfs/dbraw/zinc/77/64/22/793776422.db2.gz CWNNLBIEYASRNJ-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303122 793779587 /nfs/dbraw/zinc/77/95/87/793779587.db2.gz SXGSIPBPYBBJTG-HBFSDRIKSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)N(C)CC)C2 ZINC001109968694 806295912 /nfs/dbraw/zinc/29/59/12/806295912.db2.gz ICPIBDGZZLGGRB-FYQPLNBISA-N 2 1 339.483 2.424 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109968694 806295920 /nfs/dbraw/zinc/29/59/20/806295920.db2.gz ICPIBDGZZLGGRB-FYQPLNBISA-N 2 1 339.483 2.424 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109968694 806295929 /nfs/dbraw/zinc/29/59/29/806295929.db2.gz ICPIBDGZZLGGRB-FYQPLNBISA-N 2 1 339.483 2.424 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109968694 806295935 /nfs/dbraw/zinc/29/59/35/806295935.db2.gz ICPIBDGZZLGGRB-FYQPLNBISA-N 2 1 339.483 2.424 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001092689288 794263026 /nfs/dbraw/zinc/26/30/26/794263026.db2.gz HPHPXYUFKMKXIR-QRQLOZEOSA-N 2 1 345.531 2.204 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001092689288 794263035 /nfs/dbraw/zinc/26/30/35/794263035.db2.gz HPHPXYUFKMKXIR-QRQLOZEOSA-N 2 1 345.531 2.204 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1C ZINC001092689288 794263039 /nfs/dbraw/zinc/26/30/39/794263039.db2.gz HPHPXYUFKMKXIR-QRQLOZEOSA-N 2 1 345.531 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1C ZINC001092689288 794263049 /nfs/dbraw/zinc/26/30/49/794263049.db2.gz HPHPXYUFKMKXIR-QRQLOZEOSA-N 2 1 345.531 2.204 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC2(CCOCC2)C1 ZINC001089941977 794271988 /nfs/dbraw/zinc/27/19/88/794271988.db2.gz NMPDZKGPHSZGQN-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC2(CCOCC2)C1 ZINC001089941977 794271996 /nfs/dbraw/zinc/27/19/96/794271996.db2.gz NMPDZKGPHSZGQN-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC2(CCOCC2)C1 ZINC001089941977 794272003 /nfs/dbraw/zinc/27/20/03/794272003.db2.gz NMPDZKGPHSZGQN-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759378 794833965 /nfs/dbraw/zinc/83/39/65/794833965.db2.gz KZJSOHCMQDPUPH-JKSUJKDBSA-N 2 1 337.895 2.290 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001093360733 795086551 /nfs/dbraw/zinc/08/65/51/795086551.db2.gz FGPAKTWWYYMBLY-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093360733 795086559 /nfs/dbraw/zinc/08/65/59/795086559.db2.gz FGPAKTWWYYMBLY-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093360733 795086568 /nfs/dbraw/zinc/08/65/68/795086568.db2.gz FGPAKTWWYYMBLY-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001093372267 795104707 /nfs/dbraw/zinc/10/47/07/795104707.db2.gz BMMIAJIRUCQHKY-LJQANCHMSA-N 2 1 342.487 2.471 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001093372267 795104711 /nfs/dbraw/zinc/10/47/11/795104711.db2.gz BMMIAJIRUCQHKY-LJQANCHMSA-N 2 1 342.487 2.471 20 30 EEEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107992979 795246203 /nfs/dbraw/zinc/24/62/03/795246203.db2.gz FTIVWCLKDPIJAB-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107992979 795246207 /nfs/dbraw/zinc/24/62/07/795246207.db2.gz FTIVWCLKDPIJAB-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107992979 795246214 /nfs/dbraw/zinc/24/62/14/795246214.db2.gz FTIVWCLKDPIJAB-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902955 796441294 /nfs/dbraw/zinc/44/12/94/796441294.db2.gz SOVLDZGIEANUED-MOPGFXCFSA-N 2 1 327.472 2.471 20 30 EEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825896 796740086 /nfs/dbraw/zinc/74/00/86/796740086.db2.gz JVOSECUIBVJTNZ-MRXNPFEDSA-N 2 1 330.476 2.050 20 30 EEEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429278 797453691 /nfs/dbraw/zinc/45/36/91/797453691.db2.gz VAWOWGXALRXVQB-DNVCBOLYSA-N 2 1 340.471 2.093 20 30 EEEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429278 797453693 /nfs/dbraw/zinc/45/36/93/797453693.db2.gz VAWOWGXALRXVQB-DNVCBOLYSA-N 2 1 340.471 2.093 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001002036112 797498209 /nfs/dbraw/zinc/49/82/09/797498209.db2.gz DWDAFUSNXQCZRG-LJQANCHMSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001175287320 798048778 /nfs/dbraw/zinc/04/87/78/798048778.db2.gz CYQNYJCKSYNHBJ-INIZCTEOSA-N 2 1 346.475 2.172 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084544691 798267213 /nfs/dbraw/zinc/26/72/13/798267213.db2.gz FIIKWNYDOJLKSU-IEBWSBKVSA-N 2 1 327.472 2.123 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101320 798675262 /nfs/dbraw/zinc/67/52/62/798675262.db2.gz DRVFHROYZDISNF-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001176986391 798675548 /nfs/dbraw/zinc/67/55/48/798675548.db2.gz MQIPAGXLHLXNGO-SFHVURJKSA-N 2 1 346.450 2.168 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001003056077 799140207 /nfs/dbraw/zinc/14/02/07/799140207.db2.gz KWPABJNJKSEFFO-QLOJAFMTSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001003056077 799140209 /nfs/dbraw/zinc/14/02/09/799140209.db2.gz KWPABJNJKSEFFO-QLOJAFMTSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001179975848 800194651 /nfs/dbraw/zinc/19/46/51/800194651.db2.gz DTGPPWZLJYQAPM-KBPBESRZSA-N 2 1 346.313 2.206 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181729104 800882320 /nfs/dbraw/zinc/88/23/20/800882320.db2.gz VTVGUWGSBJBDAU-IMFGXOCKSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001108216242 801486964 /nfs/dbraw/zinc/48/69/64/801486964.db2.gz VDSXDYLAWNCIOV-LJQANCHMSA-N 2 1 339.524 2.138 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004432704 802041778 /nfs/dbraw/zinc/04/17/78/802041778.db2.gz DRTUZXKUQCKZKP-MOPGFXCFSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004432704 802041785 /nfs/dbraw/zinc/04/17/85/802041785.db2.gz DRTUZXKUQCKZKP-MOPGFXCFSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004432704 802041789 /nfs/dbraw/zinc/04/17/89/802041789.db2.gz DRTUZXKUQCKZKP-MOPGFXCFSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004458408 802112639 /nfs/dbraw/zinc/11/26/39/802112639.db2.gz LYSQFIACWQFDDZ-LJQANCHMSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004458408 802112646 /nfs/dbraw/zinc/11/26/46/802112646.db2.gz LYSQFIACWQFDDZ-LJQANCHMSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004458408 802112652 /nfs/dbraw/zinc/11/26/52/802112652.db2.gz LYSQFIACWQFDDZ-LJQANCHMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631512 802424087 /nfs/dbraw/zinc/42/40/87/802424087.db2.gz LOOZXDJFFPLKBN-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631512 802424092 /nfs/dbraw/zinc/42/40/92/802424092.db2.gz LOOZXDJFFPLKBN-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631512 802424098 /nfs/dbraw/zinc/42/40/98/802424098.db2.gz LOOZXDJFFPLKBN-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC=C)CC2)CC1 ZINC001004618929 802496619 /nfs/dbraw/zinc/49/66/19/802496619.db2.gz IDQPOANDRAZSDE-HXUWFJFHSA-N 2 1 343.515 2.221 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001108258778 802621645 /nfs/dbraw/zinc/62/16/45/802621645.db2.gz UZGUCPKFTBQUSD-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001108258778 802621651 /nfs/dbraw/zinc/62/16/51/802621651.db2.gz UZGUCPKFTBQUSD-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001086399739 802896917 /nfs/dbraw/zinc/89/69/17/802896917.db2.gz KPGCEONHOMRXFX-FPCVCCKLSA-N 2 1 325.884 2.240 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCOCC1)C2 ZINC001108778550 804498752 /nfs/dbraw/zinc/49/87/52/804498752.db2.gz VQRIOZPTCRMAPB-OTWHNJEPSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001086609618 810043240 /nfs/dbraw/zinc/04/32/40/810043240.db2.gz OTLFFSGHOUQVTD-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001086609618 810043242 /nfs/dbraw/zinc/04/32/42/810043242.db2.gz OTLFFSGHOUQVTD-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001086609618 810043248 /nfs/dbraw/zinc/04/32/48/810043248.db2.gz OTLFFSGHOUQVTD-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC001129430333 810850469 /nfs/dbraw/zinc/85/04/69/810850469.db2.gz SRLAHAIZQCILOO-LJQANCHMSA-N 2 1 340.471 2.171 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001131667164 813097686 /nfs/dbraw/zinc/09/76/86/813097686.db2.gz YPUOQDQISKRWGD-FXAWDEMLSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@H](C)O2 ZINC001131667164 813097696 /nfs/dbraw/zinc/09/76/96/813097696.db2.gz YPUOQDQISKRWGD-FXAWDEMLSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@H](C)O2 ZINC001131667164 813097703 /nfs/dbraw/zinc/09/77/03/813097703.db2.gz YPUOQDQISKRWGD-FXAWDEMLSA-N 2 1 349.519 2.129 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001445616909 1091411327 /nfs/dbraw/zinc/41/13/27/1091411327.db2.gz RPXNWRKKDKVOQU-ZDUSSCGKSA-N 2 1 345.472 2.199 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1cccc(C#N)c1 ZINC001442471110 1096801046 /nfs/dbraw/zinc/80/10/46/1096801046.db2.gz WKJSANVJNTXJMN-LJQANCHMSA-N 2 1 342.487 2.227 20 30 EEEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001442471110 1096801057 /nfs/dbraw/zinc/80/10/57/1096801057.db2.gz WKJSANVJNTXJMN-LJQANCHMSA-N 2 1 342.487 2.227 20 30 EEEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001442471110 1096801066 /nfs/dbraw/zinc/80/10/66/1096801066.db2.gz WKJSANVJNTXJMN-LJQANCHMSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001496513052 1101111369 /nfs/dbraw/zinc/11/13/69/1101111369.db2.gz VMAZZICLOYTXSK-MRXNPFEDSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001496513052 1101111374 /nfs/dbraw/zinc/11/13/74/1101111374.db2.gz VMAZZICLOYTXSK-MRXNPFEDSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001496513052 1101111378 /nfs/dbraw/zinc/11/13/78/1101111378.db2.gz VMAZZICLOYTXSK-MRXNPFEDSA-N 2 1 327.900 2.251 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001479300819 1110678145 /nfs/dbraw/zinc/67/81/45/1110678145.db2.gz TXPYSQFYQXCCOK-HDICACEKSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001499577418 1112383620 /nfs/dbraw/zinc/38/36/20/1112383620.db2.gz VFFDTVSRGIXLOJ-KRWDZBQOSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001499577418 1112383626 /nfs/dbraw/zinc/38/36/26/1112383626.db2.gz VFFDTVSRGIXLOJ-KRWDZBQOSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001499577418 1112383630 /nfs/dbraw/zinc/38/36/30/1112383630.db2.gz VFFDTVSRGIXLOJ-KRWDZBQOSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001499577418 1112383635 /nfs/dbraw/zinc/38/36/35/1112383635.db2.gz VFFDTVSRGIXLOJ-KRWDZBQOSA-N 2 1 327.900 2.395 20 30 EEEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000129628878 462716945 /nfs/dbraw/zinc/71/69/45/462716945.db2.gz QTHBSPMVGYXUDV-KRWDZBQOSA-N 2 1 332.492 2.120 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000119955091 462945743 /nfs/dbraw/zinc/94/57/43/462945743.db2.gz XBMWEIWSPOUHSJ-KRWDZBQOSA-N 2 1 336.524 2.304 20 30 EEEDMP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000264133026 464286953 /nfs/dbraw/zinc/28/69/53/464286953.db2.gz UMFNYSDOIKATHT-CVEARBPZSA-N 2 1 332.492 2.358 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(F)cccc1N1CCCC1 ZINC000285038795 464435869 /nfs/dbraw/zinc/43/58/69/464435869.db2.gz KHKSQVOWROLYNL-OAHLLOKOSA-N 2 1 347.482 2.315 20 30 EEEDMP N#CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000424132719 466985613 /nfs/dbraw/zinc/98/56/13/466985613.db2.gz IMFNQKFERPRMPZ-KRWDZBQOSA-N 2 1 348.878 2.395 20 30 EEEDMP N#CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000424132719 466985618 /nfs/dbraw/zinc/98/56/18/466985618.db2.gz IMFNQKFERPRMPZ-KRWDZBQOSA-N 2 1 348.878 2.395 20 30 EEEDMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424156731 466991984 /nfs/dbraw/zinc/99/19/84/466991984.db2.gz ORWDHFYAXAANHL-IBGZPJMESA-N 2 1 342.487 2.378 20 30 EEEDMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)C1 ZINC000424156788 466992073 /nfs/dbraw/zinc/99/20/73/466992073.db2.gz QCAFSFYDHGFWSP-MAUKXSAKSA-N 2 1 344.459 2.367 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000488801919 468106044 /nfs/dbraw/zinc/10/60/44/468106044.db2.gz QIHFBELFBBBEFR-XYJFISCASA-N 2 1 334.508 2.009 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000571073821 468736953 /nfs/dbraw/zinc/73/69/53/468736953.db2.gz DFVNIAJRPLMTOK-INIZCTEOSA-N 2 1 329.444 2.148 20 30 EEEDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1sccc1C#N)C2 ZINC000595507501 468882315 /nfs/dbraw/zinc/88/23/15/468882315.db2.gz PDDSJUAOFHTQJU-KRWDZBQOSA-N 2 1 332.473 2.366 20 30 EEEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1sccc1C#N)C2 ZINC000595507501 468882320 /nfs/dbraw/zinc/88/23/20/468882320.db2.gz PDDSJUAOFHTQJU-KRWDZBQOSA-N 2 1 332.473 2.366 20 30 EEEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000595507501 468882324 /nfs/dbraw/zinc/88/23/24/468882324.db2.gz PDDSJUAOFHTQJU-KRWDZBQOSA-N 2 1 332.473 2.366 20 30 EEEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000595507501 468882327 /nfs/dbraw/zinc/88/23/27/468882327.db2.gz PDDSJUAOFHTQJU-KRWDZBQOSA-N 2 1 332.473 2.366 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611244070 469206255 /nfs/dbraw/zinc/20/62/55/469206255.db2.gz JNZDWQLBIZRWDK-GOSISDBHSA-N 2 1 342.443 2.019 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611244070 469206260 /nfs/dbraw/zinc/20/62/60/469206260.db2.gz JNZDWQLBIZRWDK-GOSISDBHSA-N 2 1 342.443 2.019 20 30 EEEDMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(C#N)n2)c2cccs2)CC1 ZINC000602505196 469342815 /nfs/dbraw/zinc/34/28/15/469342815.db2.gz TWVQMJANCRYHEN-QGZVFWFLSA-N 2 1 341.484 2.093 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000891921002 677703331 /nfs/dbraw/zinc/70/33/31/677703331.db2.gz HEPRUKYEWGQPNG-HKUYNNGSSA-N 2 1 348.535 2.271 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331165 678553514 /nfs/dbraw/zinc/55/35/14/678553514.db2.gz INPZMKWLNVBPAG-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331165 678553518 /nfs/dbraw/zinc/55/35/18/678553518.db2.gz INPZMKWLNVBPAG-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331165 678553523 /nfs/dbraw/zinc/55/35/23/678553523.db2.gz INPZMKWLNVBPAG-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588580 679397394 /nfs/dbraw/zinc/39/73/94/679397394.db2.gz FEMSJNOYKGBWRG-IBGZPJMESA-N 2 1 341.499 2.256 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982831565 681352759 /nfs/dbraw/zinc/35/27/59/681352759.db2.gz OHCSXVFULOOOFG-BGYRXZFFSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024734263 681395896 /nfs/dbraw/zinc/39/58/96/681395896.db2.gz UGRSTTUMUUUPCL-GOSISDBHSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024734263 681395901 /nfs/dbraw/zinc/39/59/01/681395901.db2.gz UGRSTTUMUUUPCL-GOSISDBHSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(CN(C)C)on1 ZINC001025246775 682315745 /nfs/dbraw/zinc/31/57/45/682315745.db2.gz ZGYDWSWLIJZADR-QZTJIDSGSA-N 2 1 346.475 2.381 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845378 682343734 /nfs/dbraw/zinc/34/37/34/682343734.db2.gz JWGNWHVURQNDDG-JKSUJKDBSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845378 682343737 /nfs/dbraw/zinc/34/37/37/682343737.db2.gz JWGNWHVURQNDDG-JKSUJKDBSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845378 682343742 /nfs/dbraw/zinc/34/37/42/682343742.db2.gz JWGNWHVURQNDDG-JKSUJKDBSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845378 682343745 /nfs/dbraw/zinc/34/37/45/682343745.db2.gz JWGNWHVURQNDDG-JKSUJKDBSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028900652 682448789 /nfs/dbraw/zinc/44/87/89/682448789.db2.gz ICCSWGXBYROPEV-OAHLLOKOSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028900652 682448790 /nfs/dbraw/zinc/44/87/90/682448790.db2.gz ICCSWGXBYROPEV-OAHLLOKOSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC(CC)CC)C2)CC1 ZINC001029004539 682653857 /nfs/dbraw/zinc/65/38/57/682653857.db2.gz YNFJHBOBUVFKCH-GOSISDBHSA-N 2 1 333.520 2.206 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC000992704625 683283307 /nfs/dbraw/zinc/28/33/07/683283307.db2.gz CHTJSYCYXONFOL-BHYGNILZSA-N 2 1 339.911 2.440 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598255 685093876 /nfs/dbraw/zinc/09/38/76/685093876.db2.gz BEAFTZZGBREBBN-MJGOQNOKSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598255 685093881 /nfs/dbraw/zinc/09/38/81/685093881.db2.gz BEAFTZZGBREBBN-MJGOQNOKSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598255 685093887 /nfs/dbraw/zinc/09/38/87/685093887.db2.gz BEAFTZZGBREBBN-MJGOQNOKSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000978844193 693942667 /nfs/dbraw/zinc/94/26/67/693942667.db2.gz GQVWJGSAVPYOHU-NNZMDNLPSA-N 2 1 347.890 2.408 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001027062889 686019872 /nfs/dbraw/zinc/01/98/72/686019872.db2.gz DJFXRUVGMNOOBJ-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1SCCc2ccccc21 ZINC000262505043 686512976 /nfs/dbraw/zinc/51/29/76/686512976.db2.gz BCWZGNWOEJOACP-NVXWUHKLSA-N 2 1 332.517 2.406 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1SCCc2ccccc21 ZINC000262505044 686513073 /nfs/dbraw/zinc/51/30/73/686513073.db2.gz BCWZGNWOEJOACP-RDJZCZTQSA-N 2 1 332.517 2.406 20 30 EEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411277 687977470 /nfs/dbraw/zinc/97/74/70/687977470.db2.gz OCSVKMGSLKBEEO-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027411277 687977475 /nfs/dbraw/zinc/97/74/75/687977475.db2.gz OCSVKMGSLKBEEO-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027411277 687977478 /nfs/dbraw/zinc/97/74/78/687977478.db2.gz OCSVKMGSLKBEEO-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001027421058 688059188 /nfs/dbraw/zinc/05/91/88/688059188.db2.gz ILPMJLNXQWYKDO-KRWDZBQOSA-N 2 1 330.476 2.261 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C(C)(C)C1 ZINC000977450050 692635608 /nfs/dbraw/zinc/63/56/08/692635608.db2.gz NCOTVYOSXBWZRV-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C(C)(C)C1 ZINC000977450050 692635612 /nfs/dbraw/zinc/63/56/12/692635612.db2.gz NCOTVYOSXBWZRV-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977450050 692635617 /nfs/dbraw/zinc/63/56/17/692635617.db2.gz NCOTVYOSXBWZRV-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977450050 692635621 /nfs/dbraw/zinc/63/56/21/692635621.db2.gz NCOTVYOSXBWZRV-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001101547846 1187222293 /nfs/dbraw/zinc/22/22/93/1187222293.db2.gz RMBOOJKSKOOXSW-UHFFFAOYSA-N 2 1 333.520 2.348 20 30 EEEDMP N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272807623 1193522792 /nfs/dbraw/zinc/52/27/92/1193522792.db2.gz CRZIRFAEAPKFTG-IBGZPJMESA-N 2 1 341.459 2.003 20 30 EEEDMP N#CCCCN1CC[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272807623 1193522794 /nfs/dbraw/zinc/52/27/94/1193522794.db2.gz CRZIRFAEAPKFTG-IBGZPJMESA-N 2 1 341.459 2.003 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105518508 1188135751 /nfs/dbraw/zinc/13/57/51/1188135751.db2.gz ZWEWMLNVBHCQMV-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001105544913 1188166814 /nfs/dbraw/zinc/16/68/14/1188166814.db2.gz YSBZGJGWEKSTPN-KZNAEPCWSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001105544913 1188166817 /nfs/dbraw/zinc/16/68/17/1188166817.db2.gz YSBZGJGWEKSTPN-KZNAEPCWSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563519 1188179865 /nfs/dbraw/zinc/17/98/65/1188179865.db2.gz ONLNFQGEUGGWPC-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001486219737 1193757467 /nfs/dbraw/zinc/75/74/67/1193757467.db2.gz VHTMJOVZLNQBNQ-CABCVRRESA-N 2 1 348.516 2.336 20 30 EEEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001005397853 1195390985 /nfs/dbraw/zinc/39/09/85/1195390985.db2.gz SZFXABRLOQXNPP-KRWDZBQOSA-N 2 1 331.504 2.197 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001128773505 1195466170 /nfs/dbraw/zinc/46/61/70/1195466170.db2.gz AHNNFCMEZQAFCL-SFHVURJKSA-N 2 1 347.890 2.272 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210986 1195949049 /nfs/dbraw/zinc/94/90/49/1195949049.db2.gz JVKHJQWVIWPJHJ-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210986 1195949054 /nfs/dbraw/zinc/94/90/54/1195949054.db2.gz JVKHJQWVIWPJHJ-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210986 1195949057 /nfs/dbraw/zinc/94/90/57/1195949057.db2.gz JVKHJQWVIWPJHJ-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248903 1195982862 /nfs/dbraw/zinc/98/28/62/1195982862.db2.gz HEWVHHVJRSHNAM-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248903 1195982864 /nfs/dbraw/zinc/98/28/64/1195982864.db2.gz HEWVHHVJRSHNAM-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248903 1195982866 /nfs/dbraw/zinc/98/28/66/1195982866.db2.gz HEWVHHVJRSHNAM-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034393336 1196182644 /nfs/dbraw/zinc/18/26/44/1196182644.db2.gz CVZSUVKYVMJXTC-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034393336 1196182646 /nfs/dbraw/zinc/18/26/46/1196182646.db2.gz CVZSUVKYVMJXTC-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034545179 1196372797 /nfs/dbraw/zinc/37/27/97/1196372797.db2.gz ZCFLWZHONSRDOM-SFHVURJKSA-N 2 1 327.472 2.356 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001132270854 1199511206 /nfs/dbraw/zinc/51/12/06/1199511206.db2.gz WIAXFIYUSCWYRV-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)s1 ZINC001132270854 1199511211 /nfs/dbraw/zinc/51/12/11/1199511211.db2.gz WIAXFIYUSCWYRV-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086695148 1200074766 /nfs/dbraw/zinc/07/47/66/1200074766.db2.gz DFEQKPHOOKIQGZ-XHSDSOJGSA-N 2 1 327.900 2.486 20 30 EEEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](CCCc3cccc(C#N)c3)[C@@H]2C1 ZINC001274890879 1205201411 /nfs/dbraw/zinc/20/14/11/1205201411.db2.gz NBRDIPIXPZRKOX-VQTJNVASSA-N 2 1 326.488 2.059 20 30 EEEDMP N#CC1(CCCC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CCC1 ZINC000930166694 1206538983 /nfs/dbraw/zinc/53/89/83/1206538983.db2.gz GIHXBZLAFOKDCB-UHFFFAOYSA-N 2 1 335.492 2.010 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000778962919 1208421811 /nfs/dbraw/zinc/42/18/11/1208421811.db2.gz GDOSNAYDXCPCQB-HOJAQTOUSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000778962919 1208421813 /nfs/dbraw/zinc/42/18/13/1208421813.db2.gz GDOSNAYDXCPCQB-HOJAQTOUSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778962919 1208421814 /nfs/dbraw/zinc/42/18/14/1208421814.db2.gz GDOSNAYDXCPCQB-HOJAQTOUSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778962919 1208421816 /nfs/dbraw/zinc/42/18/16/1208421816.db2.gz GDOSNAYDXCPCQB-HOJAQTOUSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723056 1208686906 /nfs/dbraw/zinc/68/69/06/1208686906.db2.gz PLJQJIYMUIBSGM-YLJYHZDGSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949388480 1209662118 /nfs/dbraw/zinc/66/21/18/1209662118.db2.gz BCNVBSYPZDHQSF-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949388480 1209662120 /nfs/dbraw/zinc/66/21/20/1209662120.db2.gz BCNVBSYPZDHQSF-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949388480 1209662122 /nfs/dbraw/zinc/66/21/22/1209662122.db2.gz BCNVBSYPZDHQSF-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416127 1211977247 /nfs/dbraw/zinc/97/72/47/1211977247.db2.gz IPEQPSBPCWTCID-QRVBRYPASA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001114623629 1213590371 /nfs/dbraw/zinc/59/03/71/1213590371.db2.gz BZITYUARCQGOPO-VQFNDLOPSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114623629 1213590374 /nfs/dbraw/zinc/59/03/74/1213590374.db2.gz BZITYUARCQGOPO-VQFNDLOPSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114623629 1213590376 /nfs/dbraw/zinc/59/03/76/1213590376.db2.gz BZITYUARCQGOPO-VQFNDLOPSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114623629 1213590379 /nfs/dbraw/zinc/59/03/79/1213590379.db2.gz BZITYUARCQGOPO-VQFNDLOPSA-N 2 1 339.911 2.440 20 30 EEEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304516219 1216058097 /nfs/dbraw/zinc/05/80/97/1216058097.db2.gz VRVIUFUAZMYAQE-CYBMUJFWSA-N 2 1 344.381 2.331 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000304752000 1216102526 /nfs/dbraw/zinc/10/25/26/1216102526.db2.gz JUKOHUVOVOMFQU-RTBURBONSA-N 3 1 343.519 2.040 20 30 EEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000304752000 1216102528 /nfs/dbraw/zinc/10/25/28/1216102528.db2.gz JUKOHUVOVOMFQU-RTBURBONSA-N 3 1 343.519 2.040 20 30 EEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000304752000 1216102530 /nfs/dbraw/zinc/10/25/30/1216102530.db2.gz JUKOHUVOVOMFQU-RTBURBONSA-N 3 1 343.519 2.040 20 30 EEEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN1Cc1ccccc1 ZINC000304752000 1216102532 /nfs/dbraw/zinc/10/25/32/1216102532.db2.gz JUKOHUVOVOMFQU-RTBURBONSA-N 2 1 343.519 2.040 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN1Cc1ccccc1 ZINC000304752000 1216102534 /nfs/dbraw/zinc/10/25/34/1216102534.db2.gz JUKOHUVOVOMFQU-RTBURBONSA-N 2 1 343.519 2.040 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961196859 1217082905 /nfs/dbraw/zinc/08/29/05/1217082905.db2.gz JPBDLMARNLQXDO-MSOLQXFVSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961196859 1217082907 /nfs/dbraw/zinc/08/29/07/1217082907.db2.gz JPBDLMARNLQXDO-MSOLQXFVSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961261131 1217116043 /nfs/dbraw/zinc/11/60/43/1217116043.db2.gz MTGCRFIOFDSYBF-UXHICEINSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000962979413 1217315774 /nfs/dbraw/zinc/31/57/74/1217315774.db2.gz ZPQOAFOFXXUFCU-VQFNDLOPSA-N 2 1 331.460 2.358 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC000963404030 1217600510 /nfs/dbraw/zinc/60/05/10/1217600510.db2.gz KUFJWGHHHYQYCR-MJGOQNOKSA-N 2 1 342.487 2.079 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423950 1220500627 /nfs/dbraw/zinc/50/06/27/1220500627.db2.gz MJKPFTJWCHWWQK-YLJYHZDGSA-N 2 1 341.499 2.254 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326762 1221210900 /nfs/dbraw/zinc/21/09/00/1221210900.db2.gz IOSUZJSHZIZACM-FXAWDEMLSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)CC[C@@H]2C)CC1 ZINC000968680617 1221486938 /nfs/dbraw/zinc/48/69/38/1221486938.db2.gz BWYSTPNSLSSOQI-PKOBYXMFSA-N 2 1 331.504 2.124 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000968738152 1221527279 /nfs/dbraw/zinc/52/72/79/1221527279.db2.gz OUNBGBPZHTZVGF-XOKHGSTOSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000968956454 1221700411 /nfs/dbraw/zinc/70/04/11/1221700411.db2.gz LZCSHVXZGWLWOO-SXLOBPIMSA-N 2 1 339.483 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000968956454 1221700417 /nfs/dbraw/zinc/70/04/17/1221700417.db2.gz LZCSHVXZGWLWOO-SXLOBPIMSA-N 2 1 339.483 2.344 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016661611 1226744218 /nfs/dbraw/zinc/74/42/18/1226744218.db2.gz GXUWWICHKSVVEE-RBUKOAKNSA-N 2 1 343.515 2.387 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001020174660 1229532491 /nfs/dbraw/zinc/53/24/91/1229532491.db2.gz KYHWPZILOACCQX-MGBSGCIJSA-N 2 1 346.500 2.087 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039163392 1230385521 /nfs/dbraw/zinc/38/55/21/1230385521.db2.gz BQXKYRZGNPXVCR-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039163392 1230385522 /nfs/dbraw/zinc/38/55/22/1230385522.db2.gz BQXKYRZGNPXVCR-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039163392 1230385526 /nfs/dbraw/zinc/38/55/26/1230385526.db2.gz BQXKYRZGNPXVCR-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167606 1230390876 /nfs/dbraw/zinc/39/08/76/1230390876.db2.gz YHQQZSNVHXJPGN-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040242714 1231128114 /nfs/dbraw/zinc/12/81/14/1231128114.db2.gz ZZFNMTASECDMAG-CTNGQTDRSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040242714 1231128116 /nfs/dbraw/zinc/12/81/16/1231128116.db2.gz ZZFNMTASECDMAG-CTNGQTDRSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040242714 1231128117 /nfs/dbraw/zinc/12/81/17/1231128117.db2.gz ZZFNMTASECDMAG-CTNGQTDRSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040356309 1231185015 /nfs/dbraw/zinc/18/50/15/1231185015.db2.gz IKHIKICWSXRNRG-FQEVSTJZSA-N 2 1 343.471 2.293 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699691 1231340328 /nfs/dbraw/zinc/34/03/28/1231340328.db2.gz DEWQQHFBNSEVIU-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041357419 1231518678 /nfs/dbraw/zinc/51/86/78/1231518678.db2.gz HHYXRFJUQQOSPE-CTNGQTDRSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357419 1231518680 /nfs/dbraw/zinc/51/86/80/1231518680.db2.gz HHYXRFJUQQOSPE-CTNGQTDRSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357419 1231518682 /nfs/dbraw/zinc/51/86/82/1231518682.db2.gz HHYXRFJUQQOSPE-CTNGQTDRSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726304 1231663647 /nfs/dbraw/zinc/66/36/47/1231663647.db2.gz VFWVJFGOJHCNSM-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)CC1 ZINC001041844554 1231728477 /nfs/dbraw/zinc/72/84/77/1231728477.db2.gz KWJBJMZGLIECDB-OAQYLSRUSA-N 2 1 343.515 2.056 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042366362 1232048676 /nfs/dbraw/zinc/04/86/76/1232048676.db2.gz VFZZJKLBYDENSE-PKOBYXMFSA-N 2 1 327.472 2.471 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001044741432 1233226545 /nfs/dbraw/zinc/22/65/45/1233226545.db2.gz AJNIYIMZPVASNG-CVEARBPZSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[NH+]1CCC(C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001045602653 1233850379 /nfs/dbraw/zinc/85/03/79/1233850379.db2.gz MQFVBZQEOZKYFQ-UHFFFAOYSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001045671194 1233898269 /nfs/dbraw/zinc/89/82/69/1233898269.db2.gz FPNIVDFORGZFLK-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001045943964 1234203824 /nfs/dbraw/zinc/20/38/24/1234203824.db2.gz SJLGLOYYFIBSHC-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC(=C)C)C2)C1 ZINC001045943964 1234203828 /nfs/dbraw/zinc/20/38/28/1234203828.db2.gz SJLGLOYYFIBSHC-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(=C)C)C2)C1 ZINC001045943964 1234203832 /nfs/dbraw/zinc/20/38/32/1234203832.db2.gz SJLGLOYYFIBSHC-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(=C)C)C2)C1 ZINC001045943964 1234203838 /nfs/dbraw/zinc/20/38/38/1234203838.db2.gz SJLGLOYYFIBSHC-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045949163 1234213894 /nfs/dbraw/zinc/21/38/94/1234213894.db2.gz ZBHOQJSOJBUZTE-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949163 1234213897 /nfs/dbraw/zinc/21/38/97/1234213897.db2.gz ZBHOQJSOJBUZTE-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949163 1234213900 /nfs/dbraw/zinc/21/39/00/1234213900.db2.gz ZBHOQJSOJBUZTE-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045962903 1234239759 /nfs/dbraw/zinc/23/97/59/1234239759.db2.gz RYMVTPCNBULHGQ-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096311961 1237306859 /nfs/dbraw/zinc/30/68/59/1237306859.db2.gz LMVLITQWDMIFBE-QYZOEREBSA-N 2 1 331.504 2.406 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049524077 1241238694 /nfs/dbraw/zinc/23/86/94/1241238694.db2.gz JAFBCWVPVJUNKH-GVDBMIGSSA-N 2 1 328.460 2.402 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049524077 1241238703 /nfs/dbraw/zinc/23/87/03/1241238703.db2.gz JAFBCWVPVJUNKH-GVDBMIGSSA-N 2 1 328.460 2.402 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001049671734 1241836058 /nfs/dbraw/zinc/83/60/58/1241836058.db2.gz NFLQWQCHHSUGEX-QXAKKESOSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001049671734 1241836064 /nfs/dbraw/zinc/83/60/64/1241836064.db2.gz NFLQWQCHHSUGEX-QXAKKESOSA-N 2 1 342.487 2.395 20 30 EEEDMP C#CC[N@@H+]1CC=C(CNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001001485050 1242362359 /nfs/dbraw/zinc/36/23/59/1242362359.db2.gz UXGOFDCVUOEQRS-UHFFFAOYSA-N 2 1 329.444 2.117 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913389 1242677310 /nfs/dbraw/zinc/67/73/10/1242677310.db2.gz WPRXRMBYBQXWMY-OALUTQOASA-N 2 1 325.456 2.060 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050799 1242724670 /nfs/dbraw/zinc/72/46/70/1242724670.db2.gz IAEMOEJKFLDPJO-MWDXBVQZSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050799 1242724676 /nfs/dbraw/zinc/72/46/76/1242724676.db2.gz IAEMOEJKFLDPJO-MWDXBVQZSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050799 1242724688 /nfs/dbraw/zinc/72/46/88/1242724688.db2.gz IAEMOEJKFLDPJO-MWDXBVQZSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050799 1242724700 /nfs/dbraw/zinc/72/47/00/1242724700.db2.gz IAEMOEJKFLDPJO-MWDXBVQZSA-N 2 1 339.911 2.392 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001050180907 1243060313 /nfs/dbraw/zinc/06/03/13/1243060313.db2.gz BBTBZZXMKRPUMN-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)CC1CC1 ZINC001050247671 1243180311 /nfs/dbraw/zinc/18/03/11/1243180311.db2.gz MVPVDZHGRHZZFI-FQEVSTJZSA-N 2 1 339.483 2.242 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)CC1CC1 ZINC001050247671 1243180316 /nfs/dbraw/zinc/18/03/16/1243180316.db2.gz MVPVDZHGRHZZFI-FQEVSTJZSA-N 2 1 339.483 2.242 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CC1CC1 ZINC001050247671 1243180317 /nfs/dbraw/zinc/18/03/17/1243180317.db2.gz MVPVDZHGRHZZFI-FQEVSTJZSA-N 2 1 339.483 2.242 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CC1CC1 ZINC001050247671 1243180320 /nfs/dbraw/zinc/18/03/20/1243180320.db2.gz MVPVDZHGRHZZFI-FQEVSTJZSA-N 2 1 339.483 2.242 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050687188 1244127958 /nfs/dbraw/zinc/12/79/58/1244127958.db2.gz IEMGGKBTKXFLJO-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933208 1245505673 /nfs/dbraw/zinc/50/56/73/1245505673.db2.gz XVLITHAEKZAJOC-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933208 1245505679 /nfs/dbraw/zinc/50/56/79/1245505679.db2.gz XVLITHAEKZAJOC-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933208 1245505682 /nfs/dbraw/zinc/50/56/82/1245505682.db2.gz XVLITHAEKZAJOC-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)s1 ZINC001052938380 1245514323 /nfs/dbraw/zinc/51/43/23/1245514323.db2.gz WZVLCCTWHYCIIC-OAHLLOKOSA-N 2 1 346.500 2.186 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053033795 1245727154 /nfs/dbraw/zinc/72/71/54/1245727154.db2.gz URNPWNJLEYQATN-OALUTQOASA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053033795 1245727161 /nfs/dbraw/zinc/72/71/61/1245727161.db2.gz URNPWNJLEYQATN-OALUTQOASA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001101550707 1245956278 /nfs/dbraw/zinc/95/62/78/1245956278.db2.gz WBBGCXSIWJNGMS-RBUKOAKNSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054134236 1247485857 /nfs/dbraw/zinc/48/58/57/1247485857.db2.gz XLEILNYWRGFDJJ-UYAOXDASSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](CCC=C)C3)C2)CC1 ZINC001054245374 1247862740 /nfs/dbraw/zinc/86/27/40/1247862740.db2.gz STKNZWOEZVQLET-NRFANRHFSA-N 2 1 343.515 2.222 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071895582 1254761891 /nfs/dbraw/zinc/76/18/91/1254761891.db2.gz AFYXVLOEFLEKIS-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099260190 1258046996 /nfs/dbraw/zinc/04/69/96/1258046996.db2.gz ALUYTCHZDFOQLC-MGPQQGTHSA-N 2 1 333.398 2.026 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099552256 1258200163 /nfs/dbraw/zinc/20/01/63/1258200163.db2.gz KARHBJNSOCICPY-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099552256 1258200169 /nfs/dbraw/zinc/20/01/69/1258200169.db2.gz KARHBJNSOCICPY-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099552256 1258200172 /nfs/dbraw/zinc/20/01/72/1258200172.db2.gz KARHBJNSOCICPY-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001190724914 1281034031 /nfs/dbraw/zinc/03/40/31/1281034031.db2.gz NMGFVWXQRZFSSN-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001190724914 1281034039 /nfs/dbraw/zinc/03/40/39/1281034039.db2.gz NMGFVWXQRZFSSN-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001190724914 1281034045 /nfs/dbraw/zinc/03/40/45/1281034045.db2.gz NMGFVWXQRZFSSN-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001190724914 1281034051 /nfs/dbraw/zinc/03/40/51/1281034051.db2.gz NMGFVWXQRZFSSN-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001190724914 1281034059 /nfs/dbraw/zinc/03/40/59/1281034059.db2.gz NMGFVWXQRZFSSN-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C[N@H+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190946968 1281142170 /nfs/dbraw/zinc/14/21/70/1281142170.db2.gz QCITULNZCQJQEB-UXHICEINSA-N 2 1 339.483 2.055 20 30 EEEDMP C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190946968 1281142176 /nfs/dbraw/zinc/14/21/76/1281142176.db2.gz QCITULNZCQJQEB-UXHICEINSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001190946968 1281142182 /nfs/dbraw/zinc/14/21/82/1281142182.db2.gz QCITULNZCQJQEB-UXHICEINSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001190946968 1281142189 /nfs/dbraw/zinc/14/21/89/1281142189.db2.gz QCITULNZCQJQEB-UXHICEINSA-N 2 1 339.483 2.055 20 30 EEEDMP C=C(Cl)CN(C)[C@H]1CCN(C(=O)CN(C)CCc2ccccc2)C1 ZINC001192406073 1281975440 /nfs/dbraw/zinc/97/54/40/1281975440.db2.gz ADRJFPQYTNLCNG-SFHVURJKSA-N 2 1 349.906 2.446 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001192960059 1282247008 /nfs/dbraw/zinc/24/70/08/1282247008.db2.gz MPSTWVCTIKXKPO-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743088 1285315029 /nfs/dbraw/zinc/31/50/29/1285315029.db2.gz UOGODQVMFVTXRX-NUJGCVRESA-N 2 1 345.487 2.358 20 30 EEEDMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000859291965 1294379468 /nfs/dbraw/zinc/37/94/68/1294379468.db2.gz PRNDEZIYVDYANB-SFHVURJKSA-N 2 1 343.471 2.106 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071973989 1295057463 /nfs/dbraw/zinc/05/74/63/1295057463.db2.gz JTMZOOCJTOAKGP-QFBILLFUSA-N 2 1 331.504 2.101 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001211270289 1295792396 /nfs/dbraw/zinc/79/23/96/1295792396.db2.gz ZNIGVFRNFONLSH-SFHVURJKSA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024937 1296700286 /nfs/dbraw/zinc/70/02/86/1296700286.db2.gz SFNHLTRIIRIYCV-CKEIUWERSA-N 2 1 334.464 2.141 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001220868614 1298565709 /nfs/dbraw/zinc/56/57/09/1298565709.db2.gz MDOJSOJTNMWWIL-FHWLQOOXSA-N 2 1 327.472 2.494 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099265110 1298989781 /nfs/dbraw/zinc/98/97/81/1298989781.db2.gz BIEJLRSDFIUFOT-RBSFLKMASA-N 2 1 347.425 2.416 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222790022 1299862002 /nfs/dbraw/zinc/86/20/02/1299862002.db2.gz RWYIFHNBRNHAOH-ZACQAIPSSA-N 2 1 325.472 2.165 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](C)C ZINC001102086343 1300271070 /nfs/dbraw/zinc/27/10/70/1300271070.db2.gz ZZONHONWEOMPMQ-ATZDWAIDSA-N 2 1 342.487 2.083 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H](C)C1 ZINC001102509089 1301162807 /nfs/dbraw/zinc/16/28/07/1301162807.db2.gz UVYMOFGIBKWSBM-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H](C)C1 ZINC001102509089 1301162812 /nfs/dbraw/zinc/16/28/12/1301162812.db2.gz UVYMOFGIBKWSBM-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H](C)C1 ZINC001102509089 1301162815 /nfs/dbraw/zinc/16/28/15/1301162815.db2.gz UVYMOFGIBKWSBM-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H](C)C1 ZINC001102509090 1301162900 /nfs/dbraw/zinc/16/29/00/1301162900.db2.gz UVYMOFGIBKWSBM-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H](C)C1 ZINC001102509090 1301162906 /nfs/dbraw/zinc/16/29/06/1301162906.db2.gz UVYMOFGIBKWSBM-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H](C)C1 ZINC001102509090 1301162909 /nfs/dbraw/zinc/16/29/09/1301162909.db2.gz UVYMOFGIBKWSBM-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987675 1302028773 /nfs/dbraw/zinc/02/87/73/1302028773.db2.gz MUTQLEUOGIXKHI-QRVBRYPASA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001102987675 1302028784 /nfs/dbraw/zinc/02/87/84/1302028784.db2.gz MUTQLEUOGIXKHI-QRVBRYPASA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001102987675 1302028797 /nfs/dbraw/zinc/02/87/97/1302028797.db2.gz MUTQLEUOGIXKHI-QRVBRYPASA-N 2 1 345.531 2.348 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001229895995 1302980422 /nfs/dbraw/zinc/98/04/22/1302980422.db2.gz RTTMAAVPYKUKAN-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001229895995 1302980427 /nfs/dbraw/zinc/98/04/27/1302980427.db2.gz RTTMAAVPYKUKAN-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001111794881 1303897762 /nfs/dbraw/zinc/89/77/62/1303897762.db2.gz OQTNJCHRSZEYPM-KXBFYZLASA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001111794881 1303897769 /nfs/dbraw/zinc/89/77/69/1303897769.db2.gz OQTNJCHRSZEYPM-KXBFYZLASA-N 2 1 346.475 2.287 20 30 EEEDMP Cc1cc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)on1 ZINC001277605671 1303986090 /nfs/dbraw/zinc/98/60/90/1303986090.db2.gz QWOZDQICVWGNOE-UHFFFAOYSA-N 2 1 339.443 2.291 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166096 1304290829 /nfs/dbraw/zinc/29/08/29/1304290829.db2.gz DGKYWBODPOPKEA-BFHYXJOUSA-N 2 1 333.398 2.026 20 30 EEEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115573927 1305400106 /nfs/dbraw/zinc/40/01/06/1305400106.db2.gz YMXKGTDTDUKUOR-SFHVURJKSA-N 2 1 331.504 2.435 20 30 EEEDMP C(#Cc1ccccc1C[NH+]1CC(N2CC[NH2+]CC2)C1)c1ccccc1 ZINC001236160019 1305517055 /nfs/dbraw/zinc/51/70/55/1305517055.db2.gz HAUFSLZNFQSGDM-UHFFFAOYSA-N 2 1 331.463 2.176 20 30 EEEDMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2CC)CCC12C[NH2+]C2 ZINC001237437255 1305932751 /nfs/dbraw/zinc/93/27/51/1305932751.db2.gz UOXCQTWQUVIRMB-GOSISDBHSA-N 2 1 341.455 2.095 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001121134161 1309926456 /nfs/dbraw/zinc/92/64/56/1309926456.db2.gz VUCSGEXLPIHTHV-UEBDJUODSA-N 2 1 342.487 2.437 20 30 EEEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001121261620 1309960696 /nfs/dbraw/zinc/96/06/96/1309960696.db2.gz YNVZNDAFWITNFA-QAELIBMJSA-N 2 1 349.519 2.080 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246304505 1310276987 /nfs/dbraw/zinc/27/69/87/1310276987.db2.gz NHQRALOETMIGGC-HZMVEIRTSA-N 3 1 325.497 2.112 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001246306032 1310277141 /nfs/dbraw/zinc/27/71/41/1310277141.db2.gz TUWZPLBHHYAUNS-INIZCTEOSA-N 3 1 339.524 2.454 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153824789 1316893403 /nfs/dbraw/zinc/89/34/03/1316893403.db2.gz XVDROIBSFXVXEE-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824848 1316893646 /nfs/dbraw/zinc/89/36/46/1316893646.db2.gz ZIVOZTNPSRJEHH-XLIONFOSSA-N 2 1 341.499 2.205 20 30 EEEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001155314242 1317548469 /nfs/dbraw/zinc/54/84/69/1317548469.db2.gz RTFDSTRWBQGXIU-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254663005 1318159478 /nfs/dbraw/zinc/15/94/78/1318159478.db2.gz NJKWNCHYPNSSHN-WJFTUGDTSA-N 2 1 344.503 2.086 20 30 EEEDMP N#C[C@H]1CC[C@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001254664637 1318161053 /nfs/dbraw/zinc/16/10/53/1318161053.db2.gz IXDYVLLFWFJNEI-IRXDYDNUSA-N 2 1 327.476 2.419 20 30 EEEDMP C=CCN(CC=C)CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001257224166 1318966607 /nfs/dbraw/zinc/96/66/07/1318966607.db2.gz QQJNQZOXIGKFKW-UHFFFAOYSA-N 2 1 334.552 2.151 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160290879 1320123748 /nfs/dbraw/zinc/12/37/48/1320123748.db2.gz BLYDECFJIPEJLD-KRWDZBQOSA-N 2 1 325.472 2.381 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC=C(C)C)CC1 ZINC001160386404 1320152351 /nfs/dbraw/zinc/15/23/51/1320152351.db2.gz XDLIUWVDMACFDW-IBGZPJMESA-N 2 1 329.488 2.189 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001160386404 1320152353 /nfs/dbraw/zinc/15/23/53/1320152353.db2.gz XDLIUWVDMACFDW-IBGZPJMESA-N 2 1 329.488 2.189 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC=C(C)C)CC1 ZINC001160386404 1320152355 /nfs/dbraw/zinc/15/23/55/1320152355.db2.gz XDLIUWVDMACFDW-IBGZPJMESA-N 2 1 329.488 2.189 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC=C(C)C)CC1 ZINC001160386404 1320152357 /nfs/dbraw/zinc/15/23/57/1320152357.db2.gz XDLIUWVDMACFDW-IBGZPJMESA-N 2 1 329.488 2.189 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001160580982 1320205285 /nfs/dbraw/zinc/20/52/85/1320205285.db2.gz ZOGSGTLYEXIWGP-UHFFFAOYSA-N 2 1 336.439 2.418 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161008859 1320353567 /nfs/dbraw/zinc/35/35/67/1320353567.db2.gz VDIGGCNLGZVHLH-HKUYNNGSSA-N 2 1 349.519 2.058 20 30 EEEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008859 1320353571 /nfs/dbraw/zinc/35/35/71/1320353571.db2.gz VDIGGCNLGZVHLH-HKUYNNGSSA-N 2 1 349.519 2.058 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008859 1320353574 /nfs/dbraw/zinc/35/35/74/1320353574.db2.gz VDIGGCNLGZVHLH-HKUYNNGSSA-N 2 1 349.519 2.058 20 30 EEEDMP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001161089297 1320381537 /nfs/dbraw/zinc/38/15/37/1320381537.db2.gz JQXWPSMHYXGXJG-UHFFFAOYSA-N 2 1 340.471 2.148 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)Cn2ccnc2C(C)C)CC1 ZINC001161356123 1320471499 /nfs/dbraw/zinc/47/14/99/1320471499.db2.gz BZXGFGDCBWVINS-UHFFFAOYSA-N 2 1 328.460 2.168 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356123 1320471506 /nfs/dbraw/zinc/47/15/06/1320471506.db2.gz BZXGFGDCBWVINS-UHFFFAOYSA-N 2 1 328.460 2.168 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161390398 1320485194 /nfs/dbraw/zinc/48/51/94/1320485194.db2.gz FIDOMEMZEOTFEM-LJQANCHMSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390398 1320485195 /nfs/dbraw/zinc/48/51/95/1320485195.db2.gz FIDOMEMZEOTFEM-LJQANCHMSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390398 1320485197 /nfs/dbraw/zinc/48/51/97/1320485197.db2.gz FIDOMEMZEOTFEM-LJQANCHMSA-N 2 1 331.504 2.411 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952967 1320691975 /nfs/dbraw/zinc/69/19/75/1320691975.db2.gz NBDAWVFRWWVNJT-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952967 1320691980 /nfs/dbraw/zinc/69/19/80/1320691980.db2.gz NBDAWVFRWWVNJT-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952967 1320691984 /nfs/dbraw/zinc/69/19/84/1320691984.db2.gz NBDAWVFRWWVNJT-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001162806980 1320963911 /nfs/dbraw/zinc/96/39/11/1320963911.db2.gz PTZZCDRWIWJHLG-HXUWFJFHSA-N 2 1 341.499 2.153 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)C12CCC2 ZINC001203492681 1321895272 /nfs/dbraw/zinc/89/52/72/1321895272.db2.gz NJOQOAGNZZZNJG-MSOLQXFVSA-N 2 1 349.519 2.082 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](C)C ZINC001208530400 1324544956 /nfs/dbraw/zinc/54/49/56/1324544956.db2.gz TYOXGKLWERCPFH-ATZDWAIDSA-N 2 1 342.487 2.081 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](C)C ZINC001208529993 1324544968 /nfs/dbraw/zinc/54/49/68/1324544968.db2.gz ACMDEWDXUOGMNZ-KBRIMQKVSA-N 2 1 348.516 2.142 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](C)C ZINC001208529993 1324544973 /nfs/dbraw/zinc/54/49/73/1324544973.db2.gz ACMDEWDXUOGMNZ-KBRIMQKVSA-N 2 1 348.516 2.142 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001209652310 1325000635 /nfs/dbraw/zinc/00/06/35/1325000635.db2.gz ZLJUYDGTVDZNGL-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406636 1338347062 /nfs/dbraw/zinc/34/70/62/1338347062.db2.gz FWONCCYURAPHMR-UYSNPLJNSA-N 2 1 327.900 2.486 20 30 EEEDMP COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001579185746 1344349368 /nfs/dbraw/zinc/34/93/68/1344349368.db2.gz MELBTUFROBWCHS-VDZJLULYSA-N 2 1 329.444 2.285 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001368671514 1374448771 /nfs/dbraw/zinc/44/87/71/1374448771.db2.gz XULCMNXKUJQMJJ-AWEZNQCLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001368671514 1374448773 /nfs/dbraw/zinc/44/87/73/1374448773.db2.gz XULCMNXKUJQMJJ-AWEZNQCLSA-N 2 1 327.900 2.440 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001391836518 1389645071 /nfs/dbraw/zinc/64/50/71/1389645071.db2.gz XZDNDSZRFIZNBH-WGSAOQKQSA-N 2 1 342.487 2.417 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)CCC[NH+]1CCCC1 ZINC001392733919 1390180573 /nfs/dbraw/zinc/18/05/73/1390180573.db2.gz ZRUDNRZPFWLBLW-QGZVFWFLSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C ZINC001402051658 1397736241 /nfs/dbraw/zinc/73/62/41/1397736241.db2.gz ITBIIEUQJMTMKD-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001402434208 1397998603 /nfs/dbraw/zinc/99/86/03/1397998603.db2.gz RPNQBGCNQPVPGW-KGLIPLIRSA-N 2 1 346.313 2.063 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC001423317399 1400516958 /nfs/dbraw/zinc/51/69/58/1400516958.db2.gz FEMHGRNVFMCMDU-CJNGLKHVSA-N 2 1 334.489 2.041 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001423449550 1400582839 /nfs/dbraw/zinc/58/28/39/1400582839.db2.gz JNLDZPJHBUVFBQ-KGLIPLIRSA-N 2 1 346.313 2.206 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001424170577 1400945625 /nfs/dbraw/zinc/94/56/25/1400945625.db2.gz LTVFQTPBBFYYRJ-OAHLLOKOSA-N 2 1 327.900 2.488 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001425914287 1401801049 /nfs/dbraw/zinc/80/10/49/1401801049.db2.gz LWUJNSJALGRZCT-KBPBESRZSA-N 2 1 334.489 2.041 20 30 EEEDMP N#Cc1ccsc1N1CC[C@H]([N@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)C1=O ZINC001580080666 1403820730 /nfs/dbraw/zinc/82/07/30/1403820730.db2.gz BBOVBGGNUOLNIG-RLFYNMQTSA-N 2 1 344.484 2.176 20 30 EEEDMP N#Cc1ccsc1N1CC[C@H]([N@@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)C1=O ZINC001580080666 1403820737 /nfs/dbraw/zinc/82/07/37/1403820737.db2.gz BBOVBGGNUOLNIG-RLFYNMQTSA-N 2 1 344.484 2.176 20 30 EEEDMP C=CCOCC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001755534186 1407601996 /nfs/dbraw/zinc/60/19/96/1407601996.db2.gz FBASAAJJBQYOOQ-UHFFFAOYSA-N 2 1 348.491 2.132 20 30 EEEDMP C=CCOCC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001755534186 1407602000 /nfs/dbraw/zinc/60/20/00/1407602000.db2.gz FBASAAJJBQYOOQ-UHFFFAOYSA-N 2 1 348.491 2.132 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087763024 782201764 /nfs/dbraw/zinc/20/17/64/782201764.db2.gz YSJTZUAVQAZJQA-RBUKOAKNSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=C)Cl)[C@@H]2CC)CC1 ZINC001087839917 782347762 /nfs/dbraw/zinc/34/77/62/782347762.db2.gz ACXYQIDTKWCKEO-DLBZAZTESA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)Cl)[C@@H]2CC)CC1 ZINC001087839917 782347768 /nfs/dbraw/zinc/34/77/68/782347768.db2.gz ACXYQIDTKWCKEO-DLBZAZTESA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001115577791 757844668 /nfs/dbraw/zinc/84/46/68/757844668.db2.gz JUUNJQMKDXOKGP-SFHVURJKSA-N 2 1 331.504 2.459 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001115577791 757844693 /nfs/dbraw/zinc/84/46/93/757844693.db2.gz JUUNJQMKDXOKGP-SFHVURJKSA-N 2 1 331.504 2.459 20 30 EEEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167425847 758349542 /nfs/dbraw/zinc/34/95/42/758349542.db2.gz LSPRTSONZCWCHS-ZWKOTPCHSA-N 2 1 349.519 2.082 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001104370450 759854708 /nfs/dbraw/zinc/85/47/08/759854708.db2.gz WMFOUYYYWKJMOH-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449986 760441757 /nfs/dbraw/zinc/44/17/57/760441757.db2.gz XFUXVBDDQIJLQL-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@H+]1C)C[C@@H](C)O2 ZINC001098609444 765423197 /nfs/dbraw/zinc/42/31/97/765423197.db2.gz BUOADQLMFSWFBM-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942556293 782726154 /nfs/dbraw/zinc/72/61/54/782726154.db2.gz YTYBAXXTMUUSPH-UKRRQHHQSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942556293 782726165 /nfs/dbraw/zinc/72/61/65/782726165.db2.gz YTYBAXXTMUUSPH-UKRRQHHQSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457603 769412389 /nfs/dbraw/zinc/41/23/89/769412389.db2.gz CLHUFEGZUYVKIG-KRWDZBQOSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100957 769711852 /nfs/dbraw/zinc/71/18/52/769711852.db2.gz ROUOKBKGCMNRKU-RBSFLKMASA-N 2 1 347.425 2.414 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088128956 782948681 /nfs/dbraw/zinc/94/86/81/782948681.db2.gz PVSDKJBESBOPRD-SJORKVTESA-N 2 1 330.476 2.363 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088128956 782948684 /nfs/dbraw/zinc/94/86/84/782948684.db2.gz PVSDKJBESBOPRD-SJORKVTESA-N 2 1 330.476 2.363 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088163704 783008016 /nfs/dbraw/zinc/00/80/16/783008016.db2.gz BASRCLRSODIYQA-MOPGFXCFSA-N 2 1 331.504 2.075 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213141 783066288 /nfs/dbraw/zinc/06/62/88/783066288.db2.gz MATOMCNORXQHQX-AABGKKOBSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213141 783066293 /nfs/dbraw/zinc/06/62/93/783066293.db2.gz MATOMCNORXQHQX-AABGKKOBSA-N 2 1 339.483 2.093 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC000980083259 773839089 /nfs/dbraw/zinc/83/90/89/773839089.db2.gz HNVDTZDQSBERPU-XHSDSOJGSA-N 2 1 346.475 2.143 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC000980083259 773839092 /nfs/dbraw/zinc/83/90/92/773839092.db2.gz HNVDTZDQSBERPU-XHSDSOJGSA-N 2 1 346.475 2.143 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980147502 773949449 /nfs/dbraw/zinc/94/94/49/773949449.db2.gz NSYRHSBGYMSUTA-BZSNNMDCSA-N 2 1 331.504 2.408 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@@H]12 ZINC000991778645 790449248 /nfs/dbraw/zinc/44/92/48/790449248.db2.gz GTWXUERLVGPVRD-QUCCMNQESA-N 2 1 349.438 2.017 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001089819019 776776689 /nfs/dbraw/zinc/77/66/89/776776689.db2.gz DKISGFVIKRKAMX-WNHJNPCNSA-N 2 1 331.504 2.216 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C2CCC2)C1 ZINC001089819019 776776696 /nfs/dbraw/zinc/77/66/96/776776696.db2.gz DKISGFVIKRKAMX-WNHJNPCNSA-N 2 1 331.504 2.216 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C2CCC2)C1 ZINC001089819019 776776701 /nfs/dbraw/zinc/77/67/01/776776701.db2.gz DKISGFVIKRKAMX-WNHJNPCNSA-N 2 1 331.504 2.216 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089833501 777339989 /nfs/dbraw/zinc/33/99/89/777339989.db2.gz LATZXSJAPIJLPN-RNQOJCNYSA-N 2 1 348.450 2.140 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089837817 777528190 /nfs/dbraw/zinc/52/81/90/777528190.db2.gz GKGASSXMPMWNIY-OKYOBFRVSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089837817 777528196 /nfs/dbraw/zinc/52/81/96/777528196.db2.gz GKGASSXMPMWNIY-OKYOBFRVSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000981837846 778323403 /nfs/dbraw/zinc/32/34/03/778323403.db2.gz RXSRCGKOEVCKEE-UHFFFAOYSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@]2(C)C1 ZINC000982283149 779531309 /nfs/dbraw/zinc/53/13/09/779531309.db2.gz NQOOICAAGLSABF-FFZOFVMBSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@]2(C)C1 ZINC000982283149 779531315 /nfs/dbraw/zinc/53/13/15/779531315.db2.gz NQOOICAAGLSABF-FFZOFVMBSA-N 2 1 342.487 2.200 20 30 EEEDMP CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149397445 790802689 /nfs/dbraw/zinc/80/26/89/790802689.db2.gz BTXWTZMPDHHRIH-QZTJIDSGSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001149397445 790802702 /nfs/dbraw/zinc/80/27/02/790802702.db2.gz BTXWTZMPDHHRIH-QZTJIDSGSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001149397445 790802713 /nfs/dbraw/zinc/80/27/13/790802713.db2.gz BTXWTZMPDHHRIH-QZTJIDSGSA-N 2 1 339.524 2.258 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793702 781607422 /nfs/dbraw/zinc/60/74/22/781607422.db2.gz OGFJOKKTWHIBFG-CMKODMSKSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793702 781607427 /nfs/dbraw/zinc/60/74/27/781607427.db2.gz OGFJOKKTWHIBFG-CMKODMSKSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793702 781607434 /nfs/dbraw/zinc/60/74/34/781607434.db2.gz OGFJOKKTWHIBFG-CMKODMSKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001105394495 781794506 /nfs/dbraw/zinc/79/45/06/781794506.db2.gz YRUUELCCAMULRX-GOSISDBHSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088328926 783523457 /nfs/dbraw/zinc/52/34/57/783523457.db2.gz JEQATIPBJPGYGN-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088328926 783523463 /nfs/dbraw/zinc/52/34/63/783523463.db2.gz JEQATIPBJPGYGN-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035213624 784134490 /nfs/dbraw/zinc/13/44/90/784134490.db2.gz UFHSKXZCTKCULW-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)CC2 ZINC001035709195 784992682 /nfs/dbraw/zinc/99/26/82/784992682.db2.gz SBYBGNDBXXKBFQ-QGZVFWFLSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC2CCCC2)C(C)(C)C1 ZINC000995923217 785823745 /nfs/dbraw/zinc/82/37/45/785823745.db2.gz MESOCMMVQQFRIQ-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC2CCCC2)C(C)(C)C1 ZINC000995923217 785823757 /nfs/dbraw/zinc/82/37/57/785823757.db2.gz MESOCMMVQQFRIQ-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001091099897 789803402 /nfs/dbraw/zinc/80/34/02/789803402.db2.gz ATVAANKBMMWXMQ-CTWPCTMYSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001147567018 791885989 /nfs/dbraw/zinc/88/59/89/791885989.db2.gz TXXCOZWEQVVITB-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001147567018 791885991 /nfs/dbraw/zinc/88/59/91/791885991.db2.gz TXXCOZWEQVVITB-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001147567018 791885997 /nfs/dbraw/zinc/88/59/97/791885997.db2.gz TXXCOZWEQVVITB-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001099098406 792096468 /nfs/dbraw/zinc/09/64/68/792096468.db2.gz PBACDFASNBFRCD-IRXDYDNUSA-N 2 1 339.499 2.296 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3CC)C[C@]2(C)C1 ZINC001091684810 792223774 /nfs/dbraw/zinc/22/37/74/792223774.db2.gz RMWBCAGDCIGDPL-QKLQHJQFSA-N 2 1 342.487 2.200 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684810 792223796 /nfs/dbraw/zinc/22/37/96/792223796.db2.gz RMWBCAGDCIGDPL-QKLQHJQFSA-N 2 1 342.487 2.200 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754766 792772562 /nfs/dbraw/zinc/77/25/62/792772562.db2.gz ZFNLNGFQSXDBPA-RYRKJORJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754766 792772568 /nfs/dbraw/zinc/77/25/68/792772568.db2.gz ZFNLNGFQSXDBPA-RYRKJORJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754766 792772571 /nfs/dbraw/zinc/77/25/71/792772571.db2.gz ZFNLNGFQSXDBPA-RYRKJORJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754766 792772578 /nfs/dbraw/zinc/77/25/78/792772578.db2.gz ZFNLNGFQSXDBPA-RYRKJORJSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001086945505 793041784 /nfs/dbraw/zinc/04/17/84/793041784.db2.gz CPSNURPEPOHMTE-KRWDZBQOSA-N 2 1 342.487 2.343 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092061960 793525409 /nfs/dbraw/zinc/52/54/09/793525409.db2.gz UXHVKJHJEYWVGQ-APWZRJJASA-N 2 1 330.476 2.363 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092061960 793525417 /nfs/dbraw/zinc/52/54/17/793525417.db2.gz UXHVKJHJEYWVGQ-APWZRJJASA-N 2 1 330.476 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000999389776 794400929 /nfs/dbraw/zinc/40/09/29/794400929.db2.gz CGMXFTHJNRLSLS-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000999389776 794400932 /nfs/dbraw/zinc/40/09/32/794400932.db2.gz CGMXFTHJNRLSLS-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCC2CC2)CC3)CC1 ZINC000992509221 794451345 /nfs/dbraw/zinc/45/13/45/794451345.db2.gz MYAKMUREFZVPQY-PZJWPPBQSA-N 2 1 343.515 2.245 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036755363 794786109 /nfs/dbraw/zinc/78/61/09/794786109.db2.gz VMEZZLVWHGFBBD-APWZRJJASA-N 2 1 336.439 2.202 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]21 ZINC001036774454 794922837 /nfs/dbraw/zinc/92/28/37/794922837.db2.gz FUHAZLQGAGYFKD-WMZOPIPTSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]21 ZINC001036774454 794922852 /nfs/dbraw/zinc/92/28/52/794922852.db2.gz FUHAZLQGAGYFKD-WMZOPIPTSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001093383996 795127825 /nfs/dbraw/zinc/12/78/25/795127825.db2.gz RTPCWCLIOLJSJZ-ROUUACIJSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093383996 795127828 /nfs/dbraw/zinc/12/78/28/795127828.db2.gz RTPCWCLIOLJSJZ-ROUUACIJSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093383996 795127834 /nfs/dbraw/zinc/12/78/34/795127834.db2.gz RTPCWCLIOLJSJZ-ROUUACIJSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079847496 795318269 /nfs/dbraw/zinc/31/82/69/795318269.db2.gz IQPOKRWOWRAHPG-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001079847496 795318276 /nfs/dbraw/zinc/31/82/76/795318276.db2.gz IQPOKRWOWRAHPG-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001079847496 795318283 /nfs/dbraw/zinc/31/82/83/795318283.db2.gz IQPOKRWOWRAHPG-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001108006823 795484420 /nfs/dbraw/zinc/48/44/20/795484420.db2.gz DROLMNMANGLNON-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108006823 795484426 /nfs/dbraw/zinc/48/44/26/795484426.db2.gz DROLMNMANGLNON-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871116 795595940 /nfs/dbraw/zinc/59/59/40/795595940.db2.gz GVVILYYPQRNZOA-NVXWUHKLSA-N 2 1 328.460 2.260 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871116 795595944 /nfs/dbraw/zinc/59/59/44/795595944.db2.gz GVVILYYPQRNZOA-NVXWUHKLSA-N 2 1 328.460 2.260 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902897 796441707 /nfs/dbraw/zinc/44/17/07/796441707.db2.gz RQHGGKKVIRAGSO-QUCCMNQESA-N 2 1 339.483 2.308 20 30 EEEDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172308820 796951434 /nfs/dbraw/zinc/95/14/34/796951434.db2.gz ZZHLIUMQHILTGJ-MRXNPFEDSA-N 2 1 331.460 2.306 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082742514 797675926 /nfs/dbraw/zinc/67/59/26/797675926.db2.gz IIKLLWBATQXPQN-SUYBPPKGSA-N 2 1 345.890 2.388 20 30 EEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174889703 797902835 /nfs/dbraw/zinc/90/28/35/797902835.db2.gz LIPKHZKSGKIEHA-HZPDHXFCSA-N 2 1 345.915 2.113 20 30 EEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174889703 797902837 /nfs/dbraw/zinc/90/28/37/797902837.db2.gz LIPKHZKSGKIEHA-HZPDHXFCSA-N 2 1 345.915 2.113 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853461 798505498 /nfs/dbraw/zinc/50/54/98/798505498.db2.gz QPILPIQHMPADFK-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941605 798567918 /nfs/dbraw/zinc/56/79/18/798567918.db2.gz SKCUSXXGRARBCK-IKGGRYGDSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941605 798567922 /nfs/dbraw/zinc/56/79/22/798567922.db2.gz SKCUSXXGRARBCK-IKGGRYGDSA-N 2 1 337.895 2.004 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085032900 798625370 /nfs/dbraw/zinc/62/53/70/798625370.db2.gz HKXRXIJQMIOPER-AOIWGVFYSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085032900 798625371 /nfs/dbraw/zinc/62/53/71/798625371.db2.gz HKXRXIJQMIOPER-AOIWGVFYSA-N 2 1 342.487 2.253 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101468 798674994 /nfs/dbraw/zinc/67/49/94/798674994.db2.gz MKLPTOMFVBFLFQ-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001176986390 798675201 /nfs/dbraw/zinc/67/52/01/798675201.db2.gz MQIPAGXLHLXNGO-GOSISDBHSA-N 2 1 346.450 2.168 20 30 EEEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001003492316 799728190 /nfs/dbraw/zinc/72/81/90/799728190.db2.gz GEDXXFTZMGMQPN-LJQANCHMSA-N 2 1 331.504 2.387 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591107 801596758 /nfs/dbraw/zinc/59/67/58/801596758.db2.gz OCTFONDJIIKIAP-HCXYKTFWSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946591107 801596764 /nfs/dbraw/zinc/59/67/64/801596764.db2.gz OCTFONDJIIKIAP-HCXYKTFWSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591107 801596770 /nfs/dbraw/zinc/59/67/70/801596770.db2.gz OCTFONDJIIKIAP-HCXYKTFWSA-N 2 1 331.504 2.217 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592492 801663702 /nfs/dbraw/zinc/66/37/02/801663702.db2.gz QDPIZHMKXBOKKJ-KDURUIRLSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592240 801680539 /nfs/dbraw/zinc/68/05/39/801680539.db2.gz DTGBNLGDUBVTRT-IYWMVGAKSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592240 801680543 /nfs/dbraw/zinc/68/05/43/801680543.db2.gz DTGBNLGDUBVTRT-IYWMVGAKSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592240 801680549 /nfs/dbraw/zinc/68/05/49/801680549.db2.gz DTGBNLGDUBVTRT-IYWMVGAKSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946594977 801706402 /nfs/dbraw/zinc/70/64/02/801706402.db2.gz CLFFGNBZHNXVOU-WCXIOVBPSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946594977 801706405 /nfs/dbraw/zinc/70/64/05/801706405.db2.gz CLFFGNBZHNXVOU-WCXIOVBPSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946594977 801706409 /nfs/dbraw/zinc/70/64/09/801706409.db2.gz CLFFGNBZHNXVOU-WCXIOVBPSA-N 2 1 339.911 2.250 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCCC2CCC2)CC1 ZINC001085986650 801840486 /nfs/dbraw/zinc/84/04/86/801840486.db2.gz KBCNGRUVGOCPIF-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([C@@H]2CCCN2CC#N)CC1 ZINC001004456837 802116664 /nfs/dbraw/zinc/11/66/64/802116664.db2.gz ILLFKXMSCGYUDX-OALUTQOASA-N 2 1 346.519 2.476 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004538189 802320961 /nfs/dbraw/zinc/32/09/61/802320961.db2.gz ARTVAQJDMKLBCT-RTBURBONSA-N 2 1 333.520 2.299 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC[C@@H]2C1 ZINC000946631302 802419309 /nfs/dbraw/zinc/41/93/09/802419309.db2.gz AVIWDDKFRHHEBL-QKPAOTATSA-N 2 1 348.878 2.436 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC[C@@H]2C1 ZINC000946631302 802419318 /nfs/dbraw/zinc/41/93/18/802419318.db2.gz AVIWDDKFRHHEBL-QKPAOTATSA-N 2 1 348.878 2.436 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004619355 802496489 /nfs/dbraw/zinc/49/64/89/802496489.db2.gz BSWHXPOFRAQPQF-IRXDYDNUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004619355 802496491 /nfs/dbraw/zinc/49/64/91/802496491.db2.gz BSWHXPOFRAQPQF-IRXDYDNUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004619355 802496500 /nfs/dbraw/zinc/49/65/00/802496500.db2.gz BSWHXPOFRAQPQF-IRXDYDNUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001108258270 802612915 /nfs/dbraw/zinc/61/29/15/802612915.db2.gz PTCRSJQFOXXWJQ-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086365176 802832521 /nfs/dbraw/zinc/83/25/21/802832521.db2.gz HNACMYFOXFNTIT-YHUYYLMFSA-N 2 1 325.884 2.098 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033197537 803043913 /nfs/dbraw/zinc/04/39/13/803043913.db2.gz IEJBGLJLBJBAAC-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033197537 803043921 /nfs/dbraw/zinc/04/39/21/803043921.db2.gz IEJBGLJLBJBAAC-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033197537 803043927 /nfs/dbraw/zinc/04/39/27/803043927.db2.gz IEJBGLJLBJBAAC-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001108280709 803077552 /nfs/dbraw/zinc/07/75/52/803077552.db2.gz XPZAIWHIFDNAKU-HXUWFJFHSA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001108404702 803472220 /nfs/dbraw/zinc/47/22/20/803472220.db2.gz HXXLRTJGYJSMRY-IBGZPJMESA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001108404702 803472225 /nfs/dbraw/zinc/47/22/25/803472225.db2.gz HXXLRTJGYJSMRY-IBGZPJMESA-N 2 1 337.508 2.036 20 30 EEEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086591310 808955250 /nfs/dbraw/zinc/95/52/50/808955250.db2.gz GXANAHBQBZTNCE-XUVXKRRUSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001086591310 808955259 /nfs/dbraw/zinc/95/52/59/808955259.db2.gz GXANAHBQBZTNCE-XUVXKRRUSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001086591310 808955265 /nfs/dbraw/zinc/95/52/65/808955265.db2.gz GXANAHBQBZTNCE-XUVXKRRUSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001086591310 808955273 /nfs/dbraw/zinc/95/52/73/808955273.db2.gz GXANAHBQBZTNCE-XUVXKRRUSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001129770906 810994710 /nfs/dbraw/zinc/99/47/10/810994710.db2.gz NGTGVDZOXIAIEY-HKUYNNGSSA-N 2 1 327.472 2.168 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001129770906 810994717 /nfs/dbraw/zinc/99/47/17/810994717.db2.gz NGTGVDZOXIAIEY-HKUYNNGSSA-N 2 1 327.472 2.168 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001129771455 810995017 /nfs/dbraw/zinc/99/50/17/810995017.db2.gz XRUUCVYZFIXSRP-UZLBHIALSA-N 2 1 339.483 2.040 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001129771455 810995023 /nfs/dbraw/zinc/99/50/23/810995023.db2.gz XRUUCVYZFIXSRP-UZLBHIALSA-N 2 1 339.483 2.040 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1C#N ZINC001438936266 1091619416 /nfs/dbraw/zinc/61/94/16/1091619416.db2.gz GLXMNAYGJBCEAV-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001439946035 1093055186 /nfs/dbraw/zinc/05/51/86/1093055186.db2.gz VQBIYABOCHFWMO-KRWDZBQOSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001439946035 1093055188 /nfs/dbraw/zinc/05/51/88/1093055188.db2.gz VQBIYABOCHFWMO-KRWDZBQOSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001448973115 1093977483 /nfs/dbraw/zinc/97/74/83/1093977483.db2.gz DTGPPWZLJYQAPM-KGLIPLIRSA-N 2 1 346.313 2.206 20 30 EEEDMP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001444739742 1099615441 /nfs/dbraw/zinc/61/54/41/1099615441.db2.gz BEHZYDPOKSNWLX-RHSMWYFYSA-N 2 1 348.516 2.334 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001446421671 1100833805 /nfs/dbraw/zinc/83/38/05/1100833805.db2.gz QMBWQSFFNMQIPV-KGLIPLIRSA-N 2 1 346.313 2.206 20 30 EEEDMP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001448300785 1104347592 /nfs/dbraw/zinc/34/75/92/1104347592.db2.gz GKKCTJLOOPIUPI-CYBMUJFWSA-N 2 1 346.500 2.041 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(F)c(C#N)c1 ZINC001493148511 1107594865 /nfs/dbraw/zinc/59/48/65/1107594865.db2.gz KOQRKPVJDXXPLU-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(F)c(C#N)c1 ZINC001493148511 1107594869 /nfs/dbraw/zinc/59/48/69/1107594869.db2.gz KOQRKPVJDXXPLU-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001493148511 1107594883 /nfs/dbraw/zinc/59/48/83/1107594883.db2.gz KOQRKPVJDXXPLU-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001493148511 1107594890 /nfs/dbraw/zinc/59/48/90/1107594890.db2.gz KOQRKPVJDXXPLU-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1Cc1cccc(C#N)c1)CC(C)(C)C ZINC001499066538 1108533227 /nfs/dbraw/zinc/53/32/27/1108533227.db2.gz KNLNEJJXBCUROA-GOSISDBHSA-N 2 1 342.487 2.227 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1Cc1cccc(C#N)c1)CC(C)(C)C ZINC001499066538 1108533234 /nfs/dbraw/zinc/53/32/34/1108533234.db2.gz KNLNEJJXBCUROA-GOSISDBHSA-N 2 1 342.487 2.227 20 30 EEEDMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)CC(C)(C)C ZINC001499066538 1108533242 /nfs/dbraw/zinc/53/32/42/1108533242.db2.gz KNLNEJJXBCUROA-GOSISDBHSA-N 2 1 342.487 2.227 20 30 EEEDMP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)CC(C)(C)C ZINC001499066538 1108533247 /nfs/dbraw/zinc/53/32/47/1108533247.db2.gz KNLNEJJXBCUROA-GOSISDBHSA-N 2 1 342.487 2.227 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000130889265 223185048 /nfs/dbraw/zinc/18/50/48/223185048.db2.gz KGHOWTPLUOXWJT-AWEZNQCLSA-N 2 1 325.416 2.412 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000130889265 223185050 /nfs/dbraw/zinc/18/50/50/223185050.db2.gz KGHOWTPLUOXWJT-AWEZNQCLSA-N 2 1 325.416 2.412 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)cs1 ZINC000084185285 285248709 /nfs/dbraw/zinc/24/87/09/285248709.db2.gz GETGHKJTQZXWJN-OAHLLOKOSA-N 2 1 334.489 2.108 20 30 EEEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCCn3ccnc32)C1 ZINC000329301417 465292671 /nfs/dbraw/zinc/29/26/71/465292671.db2.gz WFDDDCDTTKTBJJ-BZUAXINKSA-N 2 1 331.464 2.091 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000287519260 463913305 /nfs/dbraw/zinc/91/33/05/463913305.db2.gz SZBDUWUMAWNFPR-UHFFFAOYSA-N 2 1 348.491 2.393 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCOCCc1ccccc1 ZINC000264063489 464278317 /nfs/dbraw/zinc/27/83/17/464278317.db2.gz AGWMPJDQLHOVMZ-LJQANCHMSA-N 2 1 346.519 2.415 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000173600830 464291438 /nfs/dbraw/zinc/29/14/38/464291438.db2.gz TXSVWQXKJAGFMB-GOSISDBHSA-N 2 1 341.499 2.358 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000273071791 464702655 /nfs/dbraw/zinc/70/26/55/464702655.db2.gz VQVNYSWKFKGIRX-UHFFFAOYSA-N 2 1 346.500 2.193 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000273071791 464702660 /nfs/dbraw/zinc/70/26/60/464702660.db2.gz VQVNYSWKFKGIRX-UHFFFAOYSA-N 2 1 346.500 2.193 20 30 EEEDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000282439283 464819394 /nfs/dbraw/zinc/81/93/94/464819394.db2.gz UKCXUHOCNCCINX-INIZCTEOSA-N 2 1 330.476 2.266 20 30 EEEDMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC2)oc1C ZINC000598718534 468972070 /nfs/dbraw/zinc/97/20/70/468972070.db2.gz GDEUNPFGLGWKPD-QGZVFWFLSA-N 2 1 348.491 2.394 20 30 EEEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000598721119 468973499 /nfs/dbraw/zinc/97/34/99/468973499.db2.gz SLHPQFCULYMEST-OALUTQOASA-N 2 1 329.488 2.441 20 30 EEEDMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610371777 470008112 /nfs/dbraw/zinc/00/81/12/470008112.db2.gz MWANBHFEXUHIFX-MOPGFXCFSA-N 2 1 345.487 2.156 20 30 EEEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610371777 470008118 /nfs/dbraw/zinc/00/81/18/470008118.db2.gz MWANBHFEXUHIFX-MOPGFXCFSA-N 2 1 345.487 2.156 20 30 EEEDMP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174155716 527021682 /nfs/dbraw/zinc/02/16/82/527021682.db2.gz GLYKAMVSBWPPJW-MRXNPFEDSA-N 2 1 339.439 2.139 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118283 674593564 /nfs/dbraw/zinc/59/35/64/674593564.db2.gz KAZFHQWAYLRVOL-MRXNPFEDSA-N 2 1 328.460 2.145 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118283 674593565 /nfs/dbraw/zinc/59/35/65/674593565.db2.gz KAZFHQWAYLRVOL-MRXNPFEDSA-N 2 1 328.460 2.145 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133670 675633976 /nfs/dbraw/zinc/63/39/76/675633976.db2.gz JWFNATMLONYXAK-RBUKOAKNSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021680401 676336430 /nfs/dbraw/zinc/33/64/30/676336430.db2.gz BJFFUJINEFUUOY-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021680401 676336432 /nfs/dbraw/zinc/33/64/32/676336432.db2.gz BJFFUJINEFUUOY-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700440 676359728 /nfs/dbraw/zinc/35/97/28/676359728.db2.gz PWZSSBAUASVDEK-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971845671 676881752 /nfs/dbraw/zinc/88/17/52/676881752.db2.gz YQJKDZWANNAMNV-CVEARBPZSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000971845671 676881753 /nfs/dbraw/zinc/88/17/53/676881753.db2.gz YQJKDZWANNAMNV-CVEARBPZSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845671 676881754 /nfs/dbraw/zinc/88/17/54/676881754.db2.gz YQJKDZWANNAMNV-CVEARBPZSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845671 676881755 /nfs/dbraw/zinc/88/17/55/676881755.db2.gz YQJKDZWANNAMNV-CVEARBPZSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001023367329 679275335 /nfs/dbraw/zinc/27/53/35/679275335.db2.gz YOGWYZOHTZBJFD-CVEARBPZSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023367329 679275336 /nfs/dbraw/zinc/27/53/36/679275336.db2.gz YOGWYZOHTZBJFD-CVEARBPZSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023367329 679275337 /nfs/dbraw/zinc/27/53/37/679275337.db2.gz YOGWYZOHTZBJFD-CVEARBPZSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023367329 679275338 /nfs/dbraw/zinc/27/53/38/679275338.db2.gz YOGWYZOHTZBJFD-CVEARBPZSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556761 679377006 /nfs/dbraw/zinc/37/70/06/679377006.db2.gz QBGJCHQWEILIEF-IRXDYDNUSA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556761 679377010 /nfs/dbraw/zinc/37/70/10/679377010.db2.gz QBGJCHQWEILIEF-IRXDYDNUSA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768173 682165662 /nfs/dbraw/zinc/16/56/62/682165662.db2.gz WLDUUMPUKRMDKB-IRXDYDNUSA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768173 682165664 /nfs/dbraw/zinc/16/56/64/682165664.db2.gz WLDUUMPUKRMDKB-IRXDYDNUSA-N 2 1 330.476 2.158 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261943099 682513293 /nfs/dbraw/zinc/51/32/93/682513293.db2.gz DZBQZKPSIVHXHL-HKUYNNGSSA-N 2 1 336.524 2.042 20 30 EEEDMP CC[NH+]=C(NCc1ccc2c(c1)COC2)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261998900 682773515 /nfs/dbraw/zinc/77/35/15/682773515.db2.gz SZSDCNXAURUSCX-AUUYWEPGSA-N 2 1 342.487 2.255 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978618301 693751660 /nfs/dbraw/zinc/75/16/60/693751660.db2.gz RRXHZPJSSXQEGY-CADBVGFASA-N 2 1 333.520 2.369 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978618301 693751663 /nfs/dbraw/zinc/75/16/63/693751663.db2.gz RRXHZPJSSXQEGY-CADBVGFASA-N 2 1 333.520 2.369 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978618301 693751665 /nfs/dbraw/zinc/75/16/65/693751665.db2.gz RRXHZPJSSXQEGY-CADBVGFASA-N 2 1 333.520 2.369 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000983907240 683759241 /nfs/dbraw/zinc/75/92/41/683759241.db2.gz WTTMKGFTENGYLR-UFYCRDLUSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000983907240 683759244 /nfs/dbraw/zinc/75/92/44/683759244.db2.gz WTTMKGFTENGYLR-UFYCRDLUSA-N 2 1 339.483 2.077 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000984046516 684016839 /nfs/dbraw/zinc/01/68/39/684016839.db2.gz FVCJDUOSCHKXLT-FHWLQOOXSA-N 2 1 340.471 2.027 20 30 EEEDMP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262464581 686168336 /nfs/dbraw/zinc/16/83/36/686168336.db2.gz YCKUFRBNOHTJKC-KNIMUDFMSA-N 2 1 326.488 2.408 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001029920552 688318693 /nfs/dbraw/zinc/31/86/93/688318693.db2.gz HBTLZFFUOMARRD-VQTJNVASSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001029920552 688318698 /nfs/dbraw/zinc/31/86/98/688318698.db2.gz HBTLZFFUOMARRD-VQTJNVASSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001029920552 688318705 /nfs/dbraw/zinc/31/87/05/688318705.db2.gz HBTLZFFUOMARRD-VQTJNVASSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001029920552 688318711 /nfs/dbraw/zinc/31/87/11/688318711.db2.gz HBTLZFFUOMARRD-VQTJNVASSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990664062 693170892 /nfs/dbraw/zinc/17/08/92/693170892.db2.gz SSQILJFQKVBRAS-FBBABVLZSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990664062 693170894 /nfs/dbraw/zinc/17/08/94/693170894.db2.gz SSQILJFQKVBRAS-FBBABVLZSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990664062 693170898 /nfs/dbraw/zinc/17/08/98/693170898.db2.gz SSQILJFQKVBRAS-FBBABVLZSA-N 2 1 343.515 2.387 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943333616 1192200267 /nfs/dbraw/zinc/20/02/67/1192200267.db2.gz JAZYIDRZAVJQIC-BBRMVZONSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943333616 1192200270 /nfs/dbraw/zinc/20/02/70/1192200270.db2.gz JAZYIDRZAVJQIC-BBRMVZONSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@@H](C)C1 ZINC000944124010 1192898288 /nfs/dbraw/zinc/89/82/88/1192898288.db2.gz ZGXIWPSJWNIGJW-RDJZCZTQSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH+]ccc1N(C)C ZINC001089891076 1192908043 /nfs/dbraw/zinc/90/80/43/1192908043.db2.gz WOIQHQWUOFXNJD-WFEDQXDTSA-N 2 1 340.471 2.116 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH+]ccc1N(C)C ZINC001089891076 1192908046 /nfs/dbraw/zinc/90/80/46/1192908046.db2.gz WOIQHQWUOFXNJD-WFEDQXDTSA-N 2 1 340.471 2.116 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001105444250 1187181510 /nfs/dbraw/zinc/18/15/10/1187181510.db2.gz CGXNDHUONGMMNM-QFUCXCTJSA-N 2 1 341.499 2.320 20 30 EEEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC001105474720 1188040136 /nfs/dbraw/zinc/04/01/36/1188040136.db2.gz QNNXWMMIFUEESG-FDYSRKEFSA-N 2 1 349.519 2.177 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001486219739 1193757547 /nfs/dbraw/zinc/75/75/47/1193757547.db2.gz VHTMJOVZLNQBNQ-HUUCEWRRSA-N 2 1 348.516 2.336 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946809195 1194417304 /nfs/dbraw/zinc/41/73/04/1194417304.db2.gz YZSLSNQCVXUGSD-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946809195 1194417307 /nfs/dbraw/zinc/41/73/07/1194417307.db2.gz YZSLSNQCVXUGSD-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946809195 1194417311 /nfs/dbraw/zinc/41/73/11/1194417311.db2.gz YZSLSNQCVXUGSD-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033777019 1195260992 /nfs/dbraw/zinc/26/09/92/1195260992.db2.gz SFJWFFPAKZGDMQ-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034208220 1195946400 /nfs/dbraw/zinc/94/64/00/1195946400.db2.gz SDVPSGRYQSDTKL-CVEARBPZSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034208220 1195946405 /nfs/dbraw/zinc/94/64/05/1195946405.db2.gz SDVPSGRYQSDTKL-CVEARBPZSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034393335 1196182653 /nfs/dbraw/zinc/18/26/53/1196182653.db2.gz CVZSUVKYVMJXTC-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034393335 1196182655 /nfs/dbraw/zinc/18/26/55/1196182655.db2.gz CVZSUVKYVMJXTC-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)CC[C@@H]1C ZINC001132264786 1199501098 /nfs/dbraw/zinc/50/10/98/1199501098.db2.gz BLCSFWSIOGLTSY-RDJZCZTQSA-N 2 1 349.475 2.127 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132264786 1199501101 /nfs/dbraw/zinc/50/11/01/1199501101.db2.gz BLCSFWSIOGLTSY-RDJZCZTQSA-N 2 1 349.475 2.127 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519201 1199804482 /nfs/dbraw/zinc/80/44/82/1199804482.db2.gz VAXOGHLRVSCLOM-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132521351 1199831389 /nfs/dbraw/zinc/83/13/89/1199831389.db2.gz CANCIVURMQSIBA-ICSRJNTNSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132521351 1199831393 /nfs/dbraw/zinc/83/13/93/1199831393.db2.gz CANCIVURMQSIBA-ICSRJNTNSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132521351 1199831395 /nfs/dbraw/zinc/83/13/95/1199831395.db2.gz CANCIVURMQSIBA-ICSRJNTNSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132521351 1199831397 /nfs/dbraw/zinc/83/13/97/1199831397.db2.gz CANCIVURMQSIBA-ICSRJNTNSA-N 2 1 341.499 2.347 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@H+](Cc3cccc4c[nH+]cn43)CC2)C1=O ZINC001274111443 1204378287 /nfs/dbraw/zinc/37/82/87/1204378287.db2.gz ZPUFITZUMBGZCR-FQEVSTJZSA-N 2 1 336.439 2.172 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc4c[nH+]cn43)CC2)C1=O ZINC001274111443 1204378291 /nfs/dbraw/zinc/37/82/91/1204378291.db2.gz ZPUFITZUMBGZCR-FQEVSTJZSA-N 2 1 336.439 2.172 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)CC2)C1=O ZINC001274267362 1204981134 /nfs/dbraw/zinc/98/11/34/1204981134.db2.gz FFCFMFULURTCKE-FQEVSTJZSA-N 2 1 336.439 2.401 20 30 EEEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCOC2)cc1C#N ZINC001275172834 1205273698 /nfs/dbraw/zinc/27/36/98/1205273698.db2.gz WRBNFJAOKMMBEW-CCNLRDMRSA-N 2 1 328.460 2.018 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001095531384 1205860566 /nfs/dbraw/zinc/86/05/66/1205860566.db2.gz CJQLNIXDQXTAMM-QZWWFDLISA-N 2 1 328.460 2.448 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001095531384 1205860568 /nfs/dbraw/zinc/86/05/68/1205860568.db2.gz CJQLNIXDQXTAMM-QZWWFDLISA-N 2 1 328.460 2.448 20 30 EEEDMP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000924680038 1206017166 /nfs/dbraw/zinc/01/71/66/1206017166.db2.gz QNKUXNCGUXVZQY-INIZCTEOSA-N 2 1 342.487 2.492 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552698 1215204050 /nfs/dbraw/zinc/20/40/50/1215204050.db2.gz XGFOZJAAKWAXER-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180483 1217073643 /nfs/dbraw/zinc/07/36/43/1217073643.db2.gz HKESATFYSWNGAI-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000961206821 1217089190 /nfs/dbraw/zinc/08/91/90/1217089190.db2.gz XTLYDHNZUXWOON-CVEARBPZSA-N 2 1 346.475 2.096 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000961206821 1217089193 /nfs/dbraw/zinc/08/91/93/1217089193.db2.gz XTLYDHNZUXWOON-CVEARBPZSA-N 2 1 346.475 2.096 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961248300 1217108415 /nfs/dbraw/zinc/10/84/15/1217108415.db2.gz DQBDPTWKFWVGEA-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961270467 1217120331 /nfs/dbraw/zinc/12/03/31/1217120331.db2.gz IHLBRSKPPHCPFK-MSOLQXFVSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961338728 1217149001 /nfs/dbraw/zinc/14/90/01/1217149001.db2.gz GXLVZJVYKCMXST-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961338728 1217149002 /nfs/dbraw/zinc/14/90/02/1217149002.db2.gz GXLVZJVYKCMXST-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961338728 1217149005 /nfs/dbraw/zinc/14/90/05/1217149005.db2.gz GXLVZJVYKCMXST-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961405715 1217177931 /nfs/dbraw/zinc/17/79/31/1217177931.db2.gz LIESLHHMMDCYER-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961440967 1217190962 /nfs/dbraw/zinc/19/09/62/1217190962.db2.gz MCQRQOFUMDXJKW-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961440967 1217190964 /nfs/dbraw/zinc/19/09/64/1217190964.db2.gz MCQRQOFUMDXJKW-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315205 1217508077 /nfs/dbraw/zinc/50/80/77/1217508077.db2.gz RJMNMFRHTSNYKX-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315205 1217508080 /nfs/dbraw/zinc/50/80/80/1217508080.db2.gz RJMNMFRHTSNYKX-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963315205 1217508083 /nfs/dbraw/zinc/50/80/83/1217508083.db2.gz RJMNMFRHTSNYKX-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963393950 1217591716 /nfs/dbraw/zinc/59/17/16/1217591716.db2.gz ZXPHRRGECBGHAI-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000963426882 1217620719 /nfs/dbraw/zinc/62/07/19/1217620719.db2.gz DDXNKQXDDZODOE-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1CC ZINC001037859234 1219615998 /nfs/dbraw/zinc/61/59/98/1219615998.db2.gz IMRICSDFLYYHKR-HOCLYGCPSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680645 1221487071 /nfs/dbraw/zinc/48/70/71/1221487071.db2.gz CEJBLVXSVMGUPZ-VQIMIIECSA-N 2 1 327.472 2.212 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887993 1221647191 /nfs/dbraw/zinc/64/71/91/1221647191.db2.gz OWSXCVMQHSCNQI-SJORKVTESA-N 2 1 328.460 2.145 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887993 1221647192 /nfs/dbraw/zinc/64/71/92/1221647192.db2.gz OWSXCVMQHSCNQI-SJORKVTESA-N 2 1 328.460 2.145 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014394014 1226558088 /nfs/dbraw/zinc/55/80/88/1226558088.db2.gz AAWFPUZGGXKQMU-OALUTQOASA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014394014 1226558092 /nfs/dbraw/zinc/55/80/92/1226558092.db2.gz AAWFPUZGGXKQMU-OALUTQOASA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001014394014 1226558105 /nfs/dbraw/zinc/55/81/05/1226558105.db2.gz AAWFPUZGGXKQMU-OALUTQOASA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001014394014 1226558110 /nfs/dbraw/zinc/55/81/10/1226558110.db2.gz AAWFPUZGGXKQMU-OALUTQOASA-N 2 1 340.471 2.122 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016791642 1226882174 /nfs/dbraw/zinc/88/21/74/1226882174.db2.gz ULLQFQUEYHBONJ-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001038369999 1229773873 /nfs/dbraw/zinc/77/38/73/1229773873.db2.gz ZXDNCGOKJUZFER-OALUTQOASA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131909 1230340402 /nfs/dbraw/zinc/34/04/02/1230340402.db2.gz YJJPJDIYVZJMQL-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039135199 1230347139 /nfs/dbraw/zinc/34/71/39/1230347139.db2.gz YXOGTNAADVQYPV-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039135199 1230347144 /nfs/dbraw/zinc/34/71/44/1230347144.db2.gz YXOGTNAADVQYPV-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039135199 1230347147 /nfs/dbraw/zinc/34/71/47/1230347147.db2.gz YXOGTNAADVQYPV-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039235618 1230469451 /nfs/dbraw/zinc/46/94/51/1230469451.db2.gz QQYXWKRDFBJPRE-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039235618 1230469453 /nfs/dbraw/zinc/46/94/53/1230469453.db2.gz QQYXWKRDFBJPRE-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CC[N@H+](CC=C)C2)CC1 ZINC001039250432 1230485963 /nfs/dbraw/zinc/48/59/63/1230485963.db2.gz KKXCJLQDQGFYCF-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241926 1231126790 /nfs/dbraw/zinc/12/67/90/1231126790.db2.gz VKUVFBDYRCVOST-SJLPKXTDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241926 1231126793 /nfs/dbraw/zinc/12/67/93/1231126793.db2.gz VKUVFBDYRCVOST-SJLPKXTDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)C2)C1 ZINC001040387778 1231200106 /nfs/dbraw/zinc/20/01/06/1231200106.db2.gz JOZLJJAHSBGKLJ-BEFAXECRSA-N 2 1 328.460 2.330 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041348181 1231514438 /nfs/dbraw/zinc/51/44/38/1231514438.db2.gz GYKVRTJEBJQVGT-AZUAARDMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348181 1231514440 /nfs/dbraw/zinc/51/44/40/1231514440.db2.gz GYKVRTJEBJQVGT-AZUAARDMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348181 1231514442 /nfs/dbraw/zinc/51/44/42/1231514442.db2.gz GYKVRTJEBJQVGT-AZUAARDMSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041778250 1231689750 /nfs/dbraw/zinc/68/97/50/1231689750.db2.gz VBIKUKSKELGNMF-OAQYLSRUSA-N 2 1 343.515 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943711 1234202867 /nfs/dbraw/zinc/20/28/67/1234202867.db2.gz NCMVBUFQWSZIEY-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943711 1234202870 /nfs/dbraw/zinc/20/28/70/1234202870.db2.gz NCMVBUFQWSZIEY-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945206 1234206169 /nfs/dbraw/zinc/20/61/69/1234206169.db2.gz ORTNXCXQCYMVMA-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945206 1234206171 /nfs/dbraw/zinc/20/61/71/1234206171.db2.gz ORTNXCXQCYMVMA-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945206 1234206173 /nfs/dbraw/zinc/20/61/73/1234206173.db2.gz ORTNXCXQCYMVMA-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045966333 1234246064 /nfs/dbraw/zinc/24/60/64/1234246064.db2.gz UANIVKALFIBOPD-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966333 1234246066 /nfs/dbraw/zinc/24/60/66/1234246066.db2.gz UANIVKALFIBOPD-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966333 1234246067 /nfs/dbraw/zinc/24/60/67/1234246067.db2.gz UANIVKALFIBOPD-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046958484 1235357753 /nfs/dbraw/zinc/35/77/53/1235357753.db2.gz YVCGTZKJBUQEJT-HNNXBMFYSA-N 2 1 346.381 2.045 20 30 EEEDMP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046958484 1235357757 /nfs/dbraw/zinc/35/77/57/1235357757.db2.gz YVCGTZKJBUQEJT-HNNXBMFYSA-N 2 1 346.381 2.045 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](C/C=C\Cl)C3)CC1 ZINC001047209724 1235673885 /nfs/dbraw/zinc/67/38/85/1235673885.db2.gz WOAVDUZUIOLHSI-UREDTVFBSA-N 2 1 349.906 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](CC)CC2)C1 ZINC001047241354 1235728333 /nfs/dbraw/zinc/72/83/33/1235728333.db2.gz ATTCDTMGKNNPAB-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](CC)CC2)C1 ZINC001047241354 1235728337 /nfs/dbraw/zinc/72/83/37/1235728337.db2.gz ATTCDTMGKNNPAB-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001047265975 1235779606 /nfs/dbraw/zinc/77/96/06/1235779606.db2.gz NATNIHCOXWHPCK-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001047265976 1235779799 /nfs/dbraw/zinc/77/97/99/1235779799.db2.gz NATNIHCOXWHPCK-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001048526667 1237867810 /nfs/dbraw/zinc/86/78/10/1237867810.db2.gz XNBGWTMBGQPNEX-QXCFHYIPSA-N 2 1 331.504 2.264 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001048584370 1238025963 /nfs/dbraw/zinc/02/59/63/1238025963.db2.gz YUCZEGDPMONAMP-BJWYYQGGSA-N 2 1 340.471 2.144 20 30 EEEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001048587042 1238032251 /nfs/dbraw/zinc/03/22/51/1238032251.db2.gz BDVRRETXZYJUIO-JONQDZQNSA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001048587042 1238032258 /nfs/dbraw/zinc/03/22/58/1238032258.db2.gz BDVRRETXZYJUIO-JONQDZQNSA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001048587042 1238032266 /nfs/dbraw/zinc/03/22/66/1238032266.db2.gz BDVRRETXZYJUIO-JONQDZQNSA-N 2 1 325.884 2.050 20 30 EEEDMP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001048628220 1238139977 /nfs/dbraw/zinc/13/99/77/1238139977.db2.gz AQKRCCSHDQPHKG-QGZVFWFLSA-N 2 1 342.487 2.012 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001048885569 1239138139 /nfs/dbraw/zinc/13/81/39/1239138139.db2.gz ZEJUGFKKJJVJOZ-HDICACEKSA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)CC1 ZINC001000248706 1240099382 /nfs/dbraw/zinc/09/93/82/1240099382.db2.gz OEGCLMWYOUXEPL-GOSISDBHSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCCc4[nH]cnc43)CC2)CC1 ZINC001000256094 1240104742 /nfs/dbraw/zinc/10/47/42/1240104742.db2.gz KFTWTVWCBUWHDD-INIZCTEOSA-N 2 1 340.471 2.214 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049235031 1240339849 /nfs/dbraw/zinc/33/98/49/1240339849.db2.gz RDZNDVLOFHPNAC-OTWHNJEPSA-N 2 1 327.472 2.256 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049235031 1240339860 /nfs/dbraw/zinc/33/98/60/1240339860.db2.gz RDZNDVLOFHPNAC-OTWHNJEPSA-N 2 1 327.472 2.256 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049768369 1242137069 /nfs/dbraw/zinc/13/70/69/1242137069.db2.gz VYGBVQXXLKKPJP-GUDVDZBRSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001050727678 1244226012 /nfs/dbraw/zinc/22/60/12/1244226012.db2.gz JLAVRCIPETXEPM-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709492 1244803238 /nfs/dbraw/zinc/80/32/38/1244803238.db2.gz NUUDFCCKLWIHLJ-FQEVSTJZSA-N 2 1 341.499 2.398 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046583 1245762541 /nfs/dbraw/zinc/76/25/41/1245762541.db2.gz LFHKZIZTWQBXOT-UXHICEINSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053104166 1245916459 /nfs/dbraw/zinc/91/64/59/1245916459.db2.gz CQGQPWXRABKTNG-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)CO2 ZINC001053946243 1247051298 /nfs/dbraw/zinc/05/12/98/1247051298.db2.gz QTMVFVKDKCULDT-MSOLQXFVSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CO2 ZINC001053946243 1247051309 /nfs/dbraw/zinc/05/13/09/1247051309.db2.gz QTMVFVKDKCULDT-MSOLQXFVSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182884 1247637778 /nfs/dbraw/zinc/63/77/78/1247637778.db2.gz TUAXFHCBPXHPHL-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182884 1247637789 /nfs/dbraw/zinc/63/77/89/1247637789.db2.gz TUAXFHCBPXHPHL-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182884 1247637809 /nfs/dbraw/zinc/63/78/09/1247637809.db2.gz TUAXFHCBPXHPHL-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@H]1C ZINC001071828413 1254690875 /nfs/dbraw/zinc/69/08/75/1254690875.db2.gz OCNCNWZSAYJJSA-HZPDHXFCSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@H]1C ZINC001071828413 1254690887 /nfs/dbraw/zinc/69/08/87/1254690887.db2.gz OCNCNWZSAYJJSA-HZPDHXFCSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099496885 1258178165 /nfs/dbraw/zinc/17/81/65/1258178165.db2.gz MZVSQRKSGNPDSP-MLHJIOFPSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496885 1258178168 /nfs/dbraw/zinc/17/81/68/1258178168.db2.gz MZVSQRKSGNPDSP-MLHJIOFPSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496885 1258178172 /nfs/dbraw/zinc/17/81/72/1258178172.db2.gz MZVSQRKSGNPDSP-MLHJIOFPSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCn1cc[nH+]c1C ZINC001099538253 1258195439 /nfs/dbraw/zinc/19/54/39/1258195439.db2.gz VKMXLDNPEAAHLB-OKYOBFRVSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCn1cc[nH+]c1C ZINC001099538253 1258195441 /nfs/dbraw/zinc/19/54/41/1258195441.db2.gz VKMXLDNPEAAHLB-OKYOBFRVSA-N 2 1 342.487 2.327 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001100896825 1259407753 /nfs/dbraw/zinc/40/77/53/1259407753.db2.gz MNPFTEHZYXESHD-UHFFFAOYSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001184819505 1278589996 /nfs/dbraw/zinc/58/99/96/1278589996.db2.gz BPZLCQCQZVVICD-SJORKVTESA-N 2 1 344.503 2.412 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188949265 1280077184 /nfs/dbraw/zinc/07/71/84/1280077184.db2.gz NZHWZAKLLCSRJH-YQVWRLOYSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188949265 1280077194 /nfs/dbraw/zinc/07/71/94/1280077194.db2.gz NZHWZAKLLCSRJH-YQVWRLOYSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445274 1281987185 /nfs/dbraw/zinc/98/71/85/1281987185.db2.gz LESHJNMJMYASDS-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445274 1281987189 /nfs/dbraw/zinc/98/71/89/1281987189.db2.gz LESHJNMJMYASDS-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445274 1281987196 /nfs/dbraw/zinc/98/71/96/1281987196.db2.gz LESHJNMJMYASDS-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000392782446 1286552922 /nfs/dbraw/zinc/55/29/22/1286552922.db2.gz RQCROWMTKQNNQW-UHFFFAOYSA-N 2 1 343.471 2.332 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000392782446 1286552928 /nfs/dbraw/zinc/55/29/28/1286552928.db2.gz RQCROWMTKQNNQW-UHFFFAOYSA-N 2 1 343.471 2.332 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252776 1295950315 /nfs/dbraw/zinc/95/03/15/1295950315.db2.gz PYCZZNRFMFLZGU-BRWVUGGUSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001213921578 1296223411 /nfs/dbraw/zinc/22/34/11/1296223411.db2.gz FPFNSSRCLSBLJG-RTBURBONSA-N 2 1 345.487 2.143 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099542069 1299201891 /nfs/dbraw/zinc/20/18/91/1299201891.db2.gz AQQOLRZECZZPAJ-HZMVEIRTSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099542069 1299201902 /nfs/dbraw/zinc/20/19/02/1299201902.db2.gz AQQOLRZECZZPAJ-HZMVEIRTSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099542069 1299201913 /nfs/dbraw/zinc/20/19/13/1299201913.db2.gz AQQOLRZECZZPAJ-HZMVEIRTSA-N 2 1 339.911 2.250 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099548755 1299209289 /nfs/dbraw/zinc/20/92/89/1299209289.db2.gz ZYYCBLLVRJIWBI-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548755 1299209301 /nfs/dbraw/zinc/20/93/01/1299209301.db2.gz ZYYCBLLVRJIWBI-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548755 1299209314 /nfs/dbraw/zinc/20/93/14/1299209314.db2.gz ZYYCBLLVRJIWBI-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001225228451 1300935801 /nfs/dbraw/zinc/93/58/01/1300935801.db2.gz JRZUCUCUJDJNHR-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001225578526 1301072698 /nfs/dbraw/zinc/07/26/98/1301072698.db2.gz WFFOQDOVIOQPPT-UHFFFAOYSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001103217637 1302506775 /nfs/dbraw/zinc/50/67/75/1302506775.db2.gz PVWPTALMLBCMOP-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230286392 1303142636 /nfs/dbraw/zinc/14/26/36/1303142636.db2.gz KFYCUMJMLXAULF-QRVBRYPASA-N 2 1 327.472 2.330 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622564 1303331673 /nfs/dbraw/zinc/33/16/73/1303331673.db2.gz OZDACTPWUZTOPZ-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1cccnc1 ZINC001230767500 1303443067 /nfs/dbraw/zinc/44/30/67/1303443067.db2.gz VJRFVEKRKBUNQJ-RBUKOAKNSA-N 2 1 344.503 2.306 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1cccnc1 ZINC001230767500 1303443071 /nfs/dbraw/zinc/44/30/71/1303443071.db2.gz VJRFVEKRKBUNQJ-RBUKOAKNSA-N 2 1 344.503 2.306 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1cccnc1 ZINC001230767500 1303443073 /nfs/dbraw/zinc/44/30/73/1303443073.db2.gz VJRFVEKRKBUNQJ-RBUKOAKNSA-N 2 1 344.503 2.306 20 30 EEEDMP COc1cc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001278285769 1308974243 /nfs/dbraw/zinc/97/42/43/1308974243.db2.gz JOQUKKKIOWQXDF-UHFFFAOYSA-N 2 1 342.487 2.026 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001121616440 1310071955 /nfs/dbraw/zinc/07/19/55/1310071955.db2.gz KWGWBHCZNQVFKI-FUSSNKQKSA-N 2 1 331.504 2.149 20 30 EEEDMP N#C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3Cl)CC[NH2+]CC2)CCN1 ZINC001246381941 1310295811 /nfs/dbraw/zinc/29/58/11/1310295811.db2.gz UYXUXOKMVWEONG-HOTGVXAUSA-N 2 1 332.879 2.238 20 30 EEEDMP COc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C#N)C2)cc1 ZINC001246966898 1310483269 /nfs/dbraw/zinc/48/32/69/1310483269.db2.gz WANVJJWZWNVYQK-VJANTYMQSA-N 2 1 342.487 2.411 20 30 EEEDMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834505690 1314846263 /nfs/dbraw/zinc/84/62/63/1314846263.db2.gz MVMQRSSUIWYMBI-WOJBJXKFSA-N 2 1 348.450 2.160 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000836441678 1314994915 /nfs/dbraw/zinc/99/49/15/1314994915.db2.gz COQNUYDYNZUWBO-GOSISDBHSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000836441678 1314994917 /nfs/dbraw/zinc/99/49/17/1314994917.db2.gz COQNUYDYNZUWBO-GOSISDBHSA-N 2 1 334.508 2.038 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150777399 1316372639 /nfs/dbraw/zinc/37/26/39/1316372639.db2.gz DOODMVLTTQEFFQ-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001152445585 1316672361 /nfs/dbraw/zinc/67/23/61/1316672361.db2.gz KALOOPSXVILNKO-SFHVURJKSA-N 2 1 347.890 2.272 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226117 1317510137 /nfs/dbraw/zinc/51/01/37/1317510137.db2.gz HMUSMYRDPGHYCV-IAGOWNOFSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226117 1317510142 /nfs/dbraw/zinc/51/01/42/1317510142.db2.gz HMUSMYRDPGHYCV-IAGOWNOFSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226117 1317510147 /nfs/dbraw/zinc/51/01/47/1317510147.db2.gz HMUSMYRDPGHYCV-IAGOWNOFSA-N 2 1 342.487 2.369 20 30 EEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155237934 1317516968 /nfs/dbraw/zinc/51/69/68/1317516968.db2.gz QSCSQERRMUCGCB-QAPCUYQASA-N 2 1 325.472 2.049 20 30 EEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001155237934 1317516972 /nfs/dbraw/zinc/51/69/72/1317516972.db2.gz QSCSQERRMUCGCB-QAPCUYQASA-N 2 1 325.472 2.049 20 30 EEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001155237934 1317516975 /nfs/dbraw/zinc/51/69/75/1317516975.db2.gz QSCSQERRMUCGCB-QAPCUYQASA-N 2 1 325.472 2.049 20 30 EEEDMP C=CCOC[C@H](O)CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001252469723 1317609432 /nfs/dbraw/zinc/60/94/32/1317609432.db2.gz ASQGYEQAYRUIMC-HXUWFJFHSA-N 2 1 330.472 2.073 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CCC(N2CCc3ccccc3C2)CC1 ZINC001252469723 1317609435 /nfs/dbraw/zinc/60/94/35/1317609435.db2.gz ASQGYEQAYRUIMC-HXUWFJFHSA-N 2 1 330.472 2.073 20 30 EEEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001252481586 1317613699 /nfs/dbraw/zinc/61/36/99/1317613699.db2.gz DHKISPXRICEZDG-YSTOQKLRSA-N 2 1 330.472 2.050 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ccsc2)CC1 ZINC001157091767 1318394984 /nfs/dbraw/zinc/39/49/84/1318394984.db2.gz ARZAASHSUJVCNI-MRXNPFEDSA-N 2 1 347.528 2.420 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001157886272 1318916759 /nfs/dbraw/zinc/91/67/59/1318916759.db2.gz DNGHEKKDRMWEHY-SFHVURJKSA-N 2 1 328.460 2.027 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157965320 1318952202 /nfs/dbraw/zinc/95/22/02/1318952202.db2.gz YXURIYNXAZNGFC-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157965320 1318952205 /nfs/dbraw/zinc/95/22/05/1318952205.db2.gz YXURIYNXAZNGFC-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155463 1320085932 /nfs/dbraw/zinc/08/59/32/1320085932.db2.gz GPFPUUKHTPXYEC-IBGZPJMESA-N 2 1 331.504 2.433 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001160266364 1320116365 /nfs/dbraw/zinc/11/63/65/1320116365.db2.gz DMKVHNVIPPLCPL-QGZVFWFLSA-N 2 1 346.450 2.168 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359954 1320143461 /nfs/dbraw/zinc/14/34/61/1320143461.db2.gz HLFSBIRWIYQWLV-UHFFFAOYSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359954 1320143462 /nfs/dbraw/zinc/14/34/62/1320143462.db2.gz HLFSBIRWIYQWLV-UHFFFAOYSA-N 2 1 325.884 2.362 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](C[C@@H](C)CC)CC1 ZINC001160386326 1320151580 /nfs/dbraw/zinc/15/15/80/1320151580.db2.gz TWLKTDKBQTYJPZ-HKUYNNGSSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC)CC1 ZINC001160386326 1320151585 /nfs/dbraw/zinc/15/15/85/1320151585.db2.gz TWLKTDKBQTYJPZ-HKUYNNGSSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C[C@@H](C)CC)CC1 ZINC001160386326 1320151586 /nfs/dbraw/zinc/15/15/86/1320151586.db2.gz TWLKTDKBQTYJPZ-HKUYNNGSSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C[C@@H](C)CC)CC1 ZINC001160386326 1320151589 /nfs/dbraw/zinc/15/15/89/1320151589.db2.gz TWLKTDKBQTYJPZ-HKUYNNGSSA-N 2 1 331.504 2.269 20 30 EEEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001163001430 1321009827 /nfs/dbraw/zinc/00/98/27/1321009827.db2.gz CAAYDLNEORQDGD-LJQANCHMSA-N 2 1 329.488 2.175 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001164450138 1321382172 /nfs/dbraw/zinc/38/21/72/1321382172.db2.gz YQKPWACTDCHNSE-HXUWFJFHSA-N 2 1 341.499 2.256 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203469831 1321889064 /nfs/dbraw/zinc/88/90/64/1321889064.db2.gz ZDOHKMACTZPFBA-IAGOWNOFSA-N 2 1 342.487 2.437 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205296929 1322345121 /nfs/dbraw/zinc/34/51/21/1322345121.db2.gz JCPHMHDOVGNJKZ-IBGZPJMESA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001205457872 1323145199 /nfs/dbraw/zinc/14/51/99/1323145199.db2.gz TULZNBGRUCSIQX-LJQANCHMSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)CCC=C)CC1 ZINC001205479354 1323154637 /nfs/dbraw/zinc/15/46/37/1323154637.db2.gz IJSUGLDLDWHQAC-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)CCC=C)CC1 ZINC001205479354 1323154640 /nfs/dbraw/zinc/15/46/40/1323154640.db2.gz IJSUGLDLDWHQAC-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC/C=C\CCC)C1 ZINC001208352863 1324445218 /nfs/dbraw/zinc/44/52/18/1324445218.db2.gz QXIRHHBCXWZSPB-RJCMGOLDSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC/C=C\CCC)C1 ZINC001208352863 1324445225 /nfs/dbraw/zinc/44/52/25/1324445225.db2.gz QXIRHHBCXWZSPB-RJCMGOLDSA-N 2 1 331.504 2.411 20 30 EEEDMP Cn1cc(C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)cc1C#N ZINC001276608639 1324764889 /nfs/dbraw/zinc/76/48/89/1324764889.db2.gz ROIBPCAISMTYLH-HXUWFJFHSA-N 2 1 343.519 2.136 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001210486223 1325305701 /nfs/dbraw/zinc/30/57/01/1325305701.db2.gz PKRPEQQZJHAZRU-UYAOXDASSA-N 2 1 341.499 2.207 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001210486223 1325305703 /nfs/dbraw/zinc/30/57/03/1325305703.db2.gz PKRPEQQZJHAZRU-UYAOXDASSA-N 2 1 341.499 2.207 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001210486223 1325305708 /nfs/dbraw/zinc/30/57/08/1325305708.db2.gz PKRPEQQZJHAZRU-UYAOXDASSA-N 2 1 341.499 2.207 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001210486223 1325305716 /nfs/dbraw/zinc/30/57/16/1325305716.db2.gz PKRPEQQZJHAZRU-UYAOXDASSA-N 2 1 341.499 2.207 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001210494749 1325310012 /nfs/dbraw/zinc/31/00/12/1325310012.db2.gz XFRIBTFUHDKQAO-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H]1CCCC[N@@H+]1CCC ZINC001574614417 1343689401 /nfs/dbraw/zinc/68/94/01/1343689401.db2.gz AZBSILPKPMEFDS-SJORKVTESA-N 2 1 344.507 2.037 20 30 EEEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001402893983 1398262271 /nfs/dbraw/zinc/26/22/71/1398262271.db2.gz ZLXFKAOEYLCPDK-MRXNPFEDSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001402893983 1398262276 /nfs/dbraw/zinc/26/22/76/1398262276.db2.gz ZLXFKAOEYLCPDK-MRXNPFEDSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211868 1371361615 /nfs/dbraw/zinc/36/16/15/1371361615.db2.gz AKNUCFLCLSCDKG-VXGBXAGGSA-N 2 1 341.805 2.058 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211868 1371361620 /nfs/dbraw/zinc/36/16/20/1371361620.db2.gz AKNUCFLCLSCDKG-VXGBXAGGSA-N 2 1 341.805 2.058 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001374384700 1376755270 /nfs/dbraw/zinc/75/52/70/1376755270.db2.gz NNMGMKAGCNAYJC-WMLDXEAASA-N 2 1 348.516 2.288 20 30 EEEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001378922057 1380283819 /nfs/dbraw/zinc/28/38/19/1380283819.db2.gz GAAUYAKTTPBHTA-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001378922057 1380283820 /nfs/dbraw/zinc/28/38/20/1380283820.db2.gz GAAUYAKTTPBHTA-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001378922057 1380283822 /nfs/dbraw/zinc/28/38/22/1380283822.db2.gz GAAUYAKTTPBHTA-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001392234465 1389916485 /nfs/dbraw/zinc/91/64/85/1389916485.db2.gz OVDWHVKFZZLMRV-KRWDZBQOSA-N 2 1 348.516 2.334 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001394717066 1390744183 /nfs/dbraw/zinc/74/41/83/1390744183.db2.gz RXFLSVDTQGZULO-ZIAGYGMSSA-N 2 1 346.313 2.111 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001398677320 1394146649 /nfs/dbraw/zinc/14/66/49/1394146649.db2.gz DGUIJABQFWXRGJ-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1ccc(C#N)s1 ZINC001399806564 1395539564 /nfs/dbraw/zinc/53/95/64/1395539564.db2.gz GTQZABPMCWEILN-INIZCTEOSA-N 2 1 336.505 2.144 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1ccc(C#N)s1 ZINC001399806564 1395539568 /nfs/dbraw/zinc/53/95/68/1395539568.db2.gz GTQZABPMCWEILN-INIZCTEOSA-N 2 1 336.505 2.144 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001401260980 1397096529 /nfs/dbraw/zinc/09/65/29/1397096529.db2.gz YIIBTENEZAKBKO-CYBMUJFWSA-N 2 1 333.823 2.070 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001401302354 1397135155 /nfs/dbraw/zinc/13/51/55/1397135155.db2.gz VUGMCJHNVRUBKB-LPHOPBHVSA-N 2 1 342.487 2.227 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001402242163 1397890061 /nfs/dbraw/zinc/89/00/61/1397890061.db2.gz JSMAKKVKHNVVKD-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001402893983 1398262266 /nfs/dbraw/zinc/26/22/66/1398262266.db2.gz ZLXFKAOEYLCPDK-MRXNPFEDSA-N 2 1 327.900 2.251 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001423489214 1400600615 /nfs/dbraw/zinc/60/06/15/1400600615.db2.gz DLKNLLUIWRTRNR-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCC1 ZINC001424212316 1400973065 /nfs/dbraw/zinc/97/30/65/1400973065.db2.gz RBZNPRRQJBRTBZ-UHFFFAOYSA-N 2 1 335.879 2.499 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C/C=C\c1ccccc1 ZINC001755302925 1407302117 /nfs/dbraw/zinc/30/21/17/1407302117.db2.gz HZVSGGOSJZDEQH-OFCQAKPVSA-N 2 1 339.483 2.234 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C/C=C\c1ccccc1 ZINC001755302925 1407302128 /nfs/dbraw/zinc/30/21/28/1407302128.db2.gz HZVSGGOSJZDEQH-OFCQAKPVSA-N 2 1 339.483 2.234 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)C/C=C\c1ccccc1 ZINC001755302925 1407302134 /nfs/dbraw/zinc/30/21/34/1407302134.db2.gz HZVSGGOSJZDEQH-OFCQAKPVSA-N 2 1 339.483 2.234 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)C/C=C\c1ccccc1 ZINC001755302925 1407302137 /nfs/dbraw/zinc/30/21/37/1407302137.db2.gz HZVSGGOSJZDEQH-OFCQAKPVSA-N 2 1 339.483 2.234 20 30 EEEDMP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001570735520 1403513047 /nfs/dbraw/zinc/51/30/47/1403513047.db2.gz FWNFIPNAUSKZNR-YJBOKZPZSA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001570735520 1403513050 /nfs/dbraw/zinc/51/30/50/1403513050.db2.gz FWNFIPNAUSKZNR-YJBOKZPZSA-N 2 1 349.906 2.468 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001755705454 1407757163 /nfs/dbraw/zinc/75/71/63/1407757163.db2.gz YXEJGFVGALVGEX-UYAOXDASSA-N 2 1 349.519 2.177 20 30 EEEDMP C[C@@]1(CNC(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000691560097 1410396987 /nfs/dbraw/zinc/39/69/87/1410396987.db2.gz JBWNIZWPZKKFTA-MJGOQNOKSA-N 2 1 328.460 2.036 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112167611 782205341 /nfs/dbraw/zinc/20/53/41/782205341.db2.gz VEUCMKXGDICKGA-ZIAGYGMSSA-N 2 1 347.425 2.273 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C1 ZINC001104305979 758303484 /nfs/dbraw/zinc/30/34/84/758303484.db2.gz DFMAQRWLWKOZBO-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C1 ZINC001104305979 758303494 /nfs/dbraw/zinc/30/34/94/758303494.db2.gz DFMAQRWLWKOZBO-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001167550268 760297628 /nfs/dbraw/zinc/29/76/28/760297628.db2.gz SKKORHIPMCSFFR-UHFFFAOYSA-N 2 1 339.443 2.333 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3cnc[nH]3)CC2)CC1 ZINC001075453936 760707864 /nfs/dbraw/zinc/70/78/64/760707864.db2.gz HBBHGYFQUXRFRM-QGZVFWFLSA-N 2 1 342.487 2.316 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3cnc[nH]3)CC2)CC1 ZINC001075453936 760707874 /nfs/dbraw/zinc/70/78/74/760707874.db2.gz HBBHGYFQUXRFRM-QGZVFWFLSA-N 2 1 342.487 2.316 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001087311617 761587312 /nfs/dbraw/zinc/58/73/12/761587312.db2.gz RESZHEWFABYHOY-CEXWTWQISA-N 2 1 345.531 2.345 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020695 764798767 /nfs/dbraw/zinc/79/87/67/764798767.db2.gz VAQBXLGVYIGUER-ICSRJNTNSA-N 2 1 331.504 2.247 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC)CC(C)(C)C1 ZINC001089408920 768847209 /nfs/dbraw/zinc/84/72/09/768847209.db2.gz JDFLYPNFBSDPLS-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC)CC(C)(C)C1 ZINC001089408920 768847223 /nfs/dbraw/zinc/84/72/23/768847223.db2.gz JDFLYPNFBSDPLS-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC)CC(C)(C)C1 ZINC001089408920 768847234 /nfs/dbraw/zinc/84/72/34/768847234.db2.gz JDFLYPNFBSDPLS-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC)CC(C)(C)C1 ZINC001089408920 768847244 /nfs/dbraw/zinc/84/72/44/768847244.db2.gz JDFLYPNFBSDPLS-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088130129 782951132 /nfs/dbraw/zinc/95/11/32/782951132.db2.gz XKEOLYVIGLKQQO-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088130129 782951137 /nfs/dbraw/zinc/95/11/37/782951137.db2.gz XKEOLYVIGLKQQO-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088130129 782951142 /nfs/dbraw/zinc/95/11/42/782951142.db2.gz XKEOLYVIGLKQQO-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980169837 774000139 /nfs/dbraw/zinc/00/01/39/774000139.db2.gz JJAVZLZHEYLKIV-OKZBNKHCSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089705872 774558333 /nfs/dbraw/zinc/55/83/33/774558333.db2.gz BVXRIVLNIVVDQE-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001089705872 774558337 /nfs/dbraw/zinc/55/83/37/774558337.db2.gz BVXRIVLNIVVDQE-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089705872 774558342 /nfs/dbraw/zinc/55/83/42/774558342.db2.gz BVXRIVLNIVVDQE-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089705872 774558350 /nfs/dbraw/zinc/55/83/50/774558350.db2.gz BVXRIVLNIVVDQE-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CC[C@@H]2C1 ZINC000946779959 783201603 /nfs/dbraw/zinc/20/16/03/783201603.db2.gz WSMOHDFPVSRUGZ-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CC[C@@H]2C1 ZINC000946779959 783201611 /nfs/dbraw/zinc/20/16/11/783201611.db2.gz WSMOHDFPVSRUGZ-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093730 777407706 /nfs/dbraw/zinc/40/77/06/777407706.db2.gz PFEPSUXYCZXERS-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093730 777407712 /nfs/dbraw/zinc/40/77/12/777407712.db2.gz PFEPSUXYCZXERS-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093730 777407718 /nfs/dbraw/zinc/40/77/18/777407718.db2.gz PFEPSUXYCZXERS-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839479 777549667 /nfs/dbraw/zinc/54/96/67/777549667.db2.gz TZPQTEYGSUFSOU-FZDIXFNVSA-N 2 1 336.439 2.303 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865428 778420834 /nfs/dbraw/zinc/42/08/34/778420834.db2.gz RMWRWARMODNRIC-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000981962915 778690662 /nfs/dbraw/zinc/69/06/62/778690662.db2.gz BBIPYEMLMRPBAL-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000981962915 778690665 /nfs/dbraw/zinc/69/06/65/778690665.db2.gz BBIPYEMLMRPBAL-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](C[C@H](F)CC)C3)CC1 ZINC000982161897 779180503 /nfs/dbraw/zinc/18/05/03/779180503.db2.gz CIZHPXSUUKNXIY-GOSISDBHSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279890 779518812 /nfs/dbraw/zinc/51/88/12/779518812.db2.gz LUCYXMHXDJRPJD-IZZBFERCSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279890 779518822 /nfs/dbraw/zinc/51/88/22/779518822.db2.gz LUCYXMHXDJRPJD-IZZBFERCSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982279890 779518831 /nfs/dbraw/zinc/51/88/31/779518831.db2.gz LUCYXMHXDJRPJD-IZZBFERCSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982294848 779595949 /nfs/dbraw/zinc/59/59/49/779595949.db2.gz IVDFAOXECDMLHK-NRSPTQNISA-N 2 1 345.531 2.158 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982294848 779595955 /nfs/dbraw/zinc/59/59/55/779595955.db2.gz IVDFAOXECDMLHK-NRSPTQNISA-N 2 1 345.531 2.158 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982296653 779613893 /nfs/dbraw/zinc/61/38/93/779613893.db2.gz WVTBVEMSWKVUBB-NRSPTQNISA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982296653 779613902 /nfs/dbraw/zinc/61/39/02/779613902.db2.gz WVTBVEMSWKVUBB-NRSPTQNISA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982296653 779613906 /nfs/dbraw/zinc/61/39/06/779613906.db2.gz WVTBVEMSWKVUBB-NRSPTQNISA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035227132 784115482 /nfs/dbraw/zinc/11/54/82/784115482.db2.gz OMHMCMOSHZKKBM-ZWKOTPCHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227132 784115488 /nfs/dbraw/zinc/11/54/88/784115488.db2.gz OMHMCMOSHZKKBM-ZWKOTPCHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227132 784115495 /nfs/dbraw/zinc/11/54/95/784115495.db2.gz OMHMCMOSHZKKBM-ZWKOTPCHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001035614530 784854248 /nfs/dbraw/zinc/85/42/48/784854248.db2.gz PPGRADUPKHNJDW-LJQANCHMSA-N 2 1 345.487 2.145 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135977546 784927841 /nfs/dbraw/zinc/92/78/41/784927841.db2.gz VGSBEQUKPZDCEB-KGLIPLIRSA-N 2 1 336.505 2.334 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1(C)C ZINC000996042874 785973796 /nfs/dbraw/zinc/97/37/96/785973796.db2.gz NJTLJZLIYPZARE-QGZVFWFLSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996478688 786434228 /nfs/dbraw/zinc/43/42/28/786434228.db2.gz TUQQHGAUVRLXEI-HOCLYGCPSA-N 2 1 325.884 2.194 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1)C1CCC1 ZINC000996664084 787021364 /nfs/dbraw/zinc/02/13/64/787021364.db2.gz FAJWLZWTEMNYIW-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107451211 787271759 /nfs/dbraw/zinc/27/17/59/787271759.db2.gz RHPNWPAFIZSPGB-QWFCFKBJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107451211 787271762 /nfs/dbraw/zinc/27/17/62/787271762.db2.gz RHPNWPAFIZSPGB-QWFCFKBJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107451211 787271765 /nfs/dbraw/zinc/27/17/65/787271765.db2.gz RHPNWPAFIZSPGB-QWFCFKBJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991502410 789142203 /nfs/dbraw/zinc/14/22/03/789142203.db2.gz KLJBHMSHTXWUOQ-IEBWSBKVSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991502410 789142207 /nfs/dbraw/zinc/14/22/07/789142207.db2.gz KLJBHMSHTXWUOQ-IEBWSBKVSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C2CCC([NH3+])CC2)c(OC)c1 ZINC000923294610 789325823 /nfs/dbraw/zinc/32/58/23/789325823.db2.gz NRZGCXIEAAHJQZ-DAWZGUTISA-N 2 1 348.487 2.365 20 30 EEEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000923401090 789501168 /nfs/dbraw/zinc/50/11/68/789501168.db2.gz JBPXJIFPQICXMP-SOUVJXGZSA-N 2 1 327.350 2.051 20 30 EEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000923401090 789501172 /nfs/dbraw/zinc/50/11/72/789501172.db2.gz JBPXJIFPQICXMP-SOUVJXGZSA-N 2 1 327.350 2.051 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088980201 791802221 /nfs/dbraw/zinc/80/22/21/791802221.db2.gz AKIZUAMCJOZMAZ-CPUCHLNUSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088980201 791802226 /nfs/dbraw/zinc/80/22/26/791802226.db2.gz AKIZUAMCJOZMAZ-CPUCHLNUSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001088980201 791802232 /nfs/dbraw/zinc/80/22/32/791802232.db2.gz AKIZUAMCJOZMAZ-CPUCHLNUSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001088980201 791802239 /nfs/dbraw/zinc/80/22/39/791802239.db2.gz AKIZUAMCJOZMAZ-CPUCHLNUSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998005655 791817184 /nfs/dbraw/zinc/81/71/84/791817184.db2.gz HRSQCFWVNHBKBC-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998009349 791826164 /nfs/dbraw/zinc/82/61/64/791826164.db2.gz WNIAFQVDLVHSRI-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001147567016 791885604 /nfs/dbraw/zinc/88/56/04/791885604.db2.gz TXXCOZWEQVVITB-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001147567016 791885605 /nfs/dbraw/zinc/88/56/05/791885605.db2.gz TXXCOZWEQVVITB-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001147567016 791885606 /nfs/dbraw/zinc/88/56/06/791885606.db2.gz TXXCOZWEQVVITB-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC000998270668 792411549 /nfs/dbraw/zinc/41/15/49/792411549.db2.gz VGNBLPQGUDFPOO-CABCVRRESA-N 2 1 347.425 2.416 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC000992143788 792905769 /nfs/dbraw/zinc/90/57/69/792905769.db2.gz CYXFAAPPMLHXFF-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992143788 792905778 /nfs/dbraw/zinc/90/57/78/792905778.db2.gz CYXFAAPPMLHXFF-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992143788 792905787 /nfs/dbraw/zinc/90/57/87/792905787.db2.gz CYXFAAPPMLHXFF-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC000992144942 792909331 /nfs/dbraw/zinc/90/93/31/792909331.db2.gz IRBXLJDGDXFKPP-YVWKXTFCSA-N 2 1 342.487 2.443 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC000992144942 792909336 /nfs/dbraw/zinc/90/93/36/792909336.db2.gz IRBXLJDGDXFKPP-YVWKXTFCSA-N 2 1 342.487 2.443 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809900 793281535 /nfs/dbraw/zinc/28/15/35/793281535.db2.gz ZMVQOCFHNREYPX-GGPKGHCWSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809900 793281540 /nfs/dbraw/zinc/28/15/40/793281540.db2.gz ZMVQOCFHNREYPX-GGPKGHCWSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809900 793281548 /nfs/dbraw/zinc/28/15/48/793281548.db2.gz ZMVQOCFHNREYPX-GGPKGHCWSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092966117 794504325 /nfs/dbraw/zinc/50/43/25/794504325.db2.gz RUOUBIDJWDQHFJ-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092966117 794504329 /nfs/dbraw/zinc/50/43/29/794504329.db2.gz RUOUBIDJWDQHFJ-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999506874 794557756 /nfs/dbraw/zinc/55/77/56/794557756.db2.gz CFEKXEUIDTWVEG-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cnc4c3CCCC4)CC[C@@H]21 ZINC001036774562 794922701 /nfs/dbraw/zinc/92/27/01/794922701.db2.gz HMPIXGFUBOJGBN-WMZOPIPTSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]21 ZINC001036774562 794922707 /nfs/dbraw/zinc/92/27/07/794922707.db2.gz HMPIXGFUBOJGBN-WMZOPIPTSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]21 ZINC001036774562 794922711 /nfs/dbraw/zinc/92/27/11/794922711.db2.gz HMPIXGFUBOJGBN-WMZOPIPTSA-N 2 1 342.487 2.261 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001093371825 795103424 /nfs/dbraw/zinc/10/34/24/795103424.db2.gz VNAGUDYEDKHFOM-RBUKOAKNSA-N 2 1 343.515 2.053 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106151262 795127821 /nfs/dbraw/zinc/12/78/21/795127821.db2.gz OIHCVHWJQJOBAN-IXDOHACOSA-N 2 1 330.476 2.104 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036853968 795500970 /nfs/dbraw/zinc/50/09/70/795500970.db2.gz CBGAWVHNAWWOCY-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001093832970 795717846 /nfs/dbraw/zinc/71/78/46/795717846.db2.gz LIIDYOLTPCVCCM-NXHRZFHOSA-N 2 1 345.512 2.030 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001093832970 795717850 /nfs/dbraw/zinc/71/78/50/795717850.db2.gz LIIDYOLTPCVCCM-NXHRZFHOSA-N 2 1 345.512 2.030 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106591131 795902838 /nfs/dbraw/zinc/90/28/38/795902838.db2.gz OURVQWHZUQPGOA-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106591197 795903032 /nfs/dbraw/zinc/90/30/32/795903032.db2.gz RCPBNONSIQIAHG-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCc3sccc3C2)C[C@@H]1C ZINC000948061539 796333356 /nfs/dbraw/zinc/33/33/56/796333356.db2.gz VWEJGQPNCXMPHQ-DOTOQJQBSA-N 2 1 345.512 2.099 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082199011 797290823 /nfs/dbraw/zinc/29/08/23/797290823.db2.gz WNVMKBUYMVZQMC-RCCFBDPRSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001082944065 797760605 /nfs/dbraw/zinc/76/06/05/797760605.db2.gz BDGLVKCDDJKAAK-KBRIMQKVSA-N 2 1 335.879 2.478 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545874 798311525 /nfs/dbraw/zinc/31/15/25/798311525.db2.gz WVQGMKPDGJBYKH-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545874 798311531 /nfs/dbraw/zinc/31/15/31/798311531.db2.gz WVQGMKPDGJBYKH-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545874 798311537 /nfs/dbraw/zinc/31/15/37/798311537.db2.gz WVQGMKPDGJBYKH-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392517 798333965 /nfs/dbraw/zinc/33/39/65/798333965.db2.gz WBIQIOMWKQQFHV-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392517 798333971 /nfs/dbraw/zinc/33/39/71/798333971.db2.gz WBIQIOMWKQQFHV-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392517 798333977 /nfs/dbraw/zinc/33/39/77/798333977.db2.gz WBIQIOMWKQQFHV-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089405944 798415399 /nfs/dbraw/zinc/41/53/99/798415399.db2.gz FLFOFSXTZPLFBF-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@H]21 ZINC001177056556 798719665 /nfs/dbraw/zinc/71/96/65/798719665.db2.gz XDZDRYSEBZAWDP-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@H]21 ZINC001177056556 798719668 /nfs/dbraw/zinc/71/96/68/798719668.db2.gz XDZDRYSEBZAWDP-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001177467048 798952242 /nfs/dbraw/zinc/95/22/42/798952242.db2.gz ROBIVXNGMXPDAC-IBGZPJMESA-N 2 1 333.520 2.350 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001178045306 799228433 /nfs/dbraw/zinc/22/84/33/799228433.db2.gz IHGIFFKLHWFLGF-FQEVSTJZSA-N 2 1 341.499 2.399 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001003143895 799287165 /nfs/dbraw/zinc/28/71/65/799287165.db2.gz GQXYFCAGLASHMP-JKSUJKDBSA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001003143895 799287169 /nfs/dbraw/zinc/28/71/69/799287169.db2.gz GQXYFCAGLASHMP-JKSUJKDBSA-N 2 1 325.884 2.336 20 30 EEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001178693615 799589769 /nfs/dbraw/zinc/58/97/69/799589769.db2.gz XUGJVQDDXLCIRL-SFHVURJKSA-N 2 1 349.523 2.046 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094791 801578175 /nfs/dbraw/zinc/57/81/75/801578175.db2.gz JQKLIHOXOVIMPA-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094791 801578178 /nfs/dbraw/zinc/57/81/78/801578178.db2.gz JQKLIHOXOVIMPA-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033094791 801578183 /nfs/dbraw/zinc/57/81/83/801578183.db2.gz JQKLIHOXOVIMPA-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033094791 801578191 /nfs/dbraw/zinc/57/81/91/801578191.db2.gz JQKLIHOXOVIMPA-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001183760354 801724175 /nfs/dbraw/zinc/72/41/75/801724175.db2.gz VQLOSFZHYQPFMG-CYBMUJFWSA-N 2 1 334.489 2.041 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001004459305 802125243 /nfs/dbraw/zinc/12/52/43/802125243.db2.gz SIKKMTRHLWBYJP-MSOLQXFVSA-N 2 1 340.471 2.097 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001004459305 802125245 /nfs/dbraw/zinc/12/52/45/802125245.db2.gz SIKKMTRHLWBYJP-MSOLQXFVSA-N 2 1 340.471 2.097 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004549157 802351886 /nfs/dbraw/zinc/35/18/86/802351886.db2.gz UVOQQEYRXKNFDG-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001004549157 802351895 /nfs/dbraw/zinc/35/18/95/802351895.db2.gz UVOQQEYRXKNFDG-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001004549157 802351906 /nfs/dbraw/zinc/35/19/06/802351906.db2.gz UVOQQEYRXKNFDG-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001185169451 802373559 /nfs/dbraw/zinc/37/35/59/802373559.db2.gz LRIAHIGGYZWGQY-AZUAARDMSA-N 2 1 343.515 2.421 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004596529 802450263 /nfs/dbraw/zinc/45/02/63/802450263.db2.gz MWZOLOBQVOPHML-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004596529 802450269 /nfs/dbraw/zinc/45/02/69/802450269.db2.gz MWZOLOBQVOPHML-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004596529 802450273 /nfs/dbraw/zinc/45/02/73/802450273.db2.gz MWZOLOBQVOPHML-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001086619918 810645225 /nfs/dbraw/zinc/64/52/25/810645225.db2.gz OAPJKNXBMHQXFV-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001086619918 810645233 /nfs/dbraw/zinc/64/52/33/810645233.db2.gz OAPJKNXBMHQXFV-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001086619918 810645236 /nfs/dbraw/zinc/64/52/36/810645236.db2.gz OAPJKNXBMHQXFV-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC001129428901 810829054 /nfs/dbraw/zinc/82/90/54/810829054.db2.gz AQSRKQFGBDRVSD-LJQANCHMSA-N 2 1 340.471 2.171 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001129842513 811005708 /nfs/dbraw/zinc/00/57/08/811005708.db2.gz ZIAQNZSHCQUEBO-KRWDZBQOSA-N 2 1 347.890 2.272 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC1([NH+](C)C)CCCC1)C[C@H](C)O2 ZINC001131669841 813102515 /nfs/dbraw/zinc/10/25/15/813102515.db2.gz UZSZWIXSDCVHFF-PXNSSMCTSA-N 2 1 349.519 2.129 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC001441828500 1095881104 /nfs/dbraw/zinc/88/11/04/1095881104.db2.gz RXJYNXDCNHFQIK-CZUORRHYSA-N 2 1 334.489 2.041 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)C1 ZINC001496371135 1100964254 /nfs/dbraw/zinc/96/42/54/1100964254.db2.gz YINGSIWYEFOFRL-QFBILLFUSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001495667977 1101409411 /nfs/dbraw/zinc/40/94/11/1101409411.db2.gz SZXGJANBAONPLZ-TZMCWYRMSA-N 2 1 346.313 2.110 20 30 EEEDMP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001447635303 1103006079 /nfs/dbraw/zinc/00/60/79/1103006079.db2.gz MZRUXEPLZGEJPA-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP Cn1cc(C2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cn1 ZINC000329007441 465201282 /nfs/dbraw/zinc/20/12/82/465201282.db2.gz NLAKCCBSJNVZNL-UHFFFAOYSA-N 2 1 345.491 2.183 20 30 EEEDMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000329265708 465284426 /nfs/dbraw/zinc/28/44/26/465284426.db2.gz FJQRBXLBXDCABW-GOEBONIOSA-N 2 1 331.464 2.050 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000066922044 462946784 /nfs/dbraw/zinc/94/67/84/462946784.db2.gz NMLQPSTUHBZNHF-XLIONFOSSA-N 2 1 339.483 2.283 20 30 EEEDMP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000120234773 462977063 /nfs/dbraw/zinc/97/70/63/462977063.db2.gz MNRDRRJJEUXECY-IRXDYDNUSA-N 2 1 327.472 2.289 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(F)F)cc1 ZINC000264070934 464280018 /nfs/dbraw/zinc/28/00/18/464280018.db2.gz GDDXFGRFTQGHPI-ZDUSSCGKSA-N 2 1 326.391 2.177 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000294100309 464433716 /nfs/dbraw/zinc/43/37/16/464433716.db2.gz YEGNYQJWUKUORT-UHFFFAOYSA-N 2 1 341.499 2.360 20 30 EEEDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OCC#N)cc1 ZINC000181704404 464522701 /nfs/dbraw/zinc/52/27/01/464522701.db2.gz DQOOBKXYVOXFMV-KRWDZBQOSA-N 2 1 330.476 2.267 20 30 EEEDMP C=CCNC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285383423 464544252 /nfs/dbraw/zinc/54/42/52/464544252.db2.gz BOYWIDWPIWJJEO-XLIONFOSSA-N 2 1 327.472 2.275 20 30 EEEDMP COc1ccc(CCNC(=[NH2+])NCCCCn2cc[nH+]c2C)cc1 ZINC000267460784 464933788 /nfs/dbraw/zinc/93/37/88/464933788.db2.gz UYEBMXPTTSZKOU-UHFFFAOYSA-N 2 1 329.448 2.127 20 30 EEEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368236190 466589490 /nfs/dbraw/zinc/58/94/90/466589490.db2.gz RZODGBJYINLSTL-MTFMMBMASA-N 2 1 339.483 2.015 20 30 EEEDMP Cc1oc(NC(=O)CN2CCC[C@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000365619875 466884671 /nfs/dbraw/zinc/88/46/71/466884671.db2.gz CDAGSKXOZQSAHA-AWEZNQCLSA-N 2 1 341.415 2.320 20 30 EEEDMP C=CCN1CC[C@H]([N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)C1=O ZINC000420302841 467345468 /nfs/dbraw/zinc/34/54/68/467345468.db2.gz CDAIUDSASLVMTQ-DLBZAZTESA-N 2 1 345.512 2.479 20 30 EEEDMP C=CCN1CC[C@H]([N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)C1=O ZINC000420302841 467345471 /nfs/dbraw/zinc/34/54/71/467345471.db2.gz CDAIUDSASLVMTQ-DLBZAZTESA-N 2 1 345.512 2.479 20 30 EEEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1C ZINC000420337478 467366130 /nfs/dbraw/zinc/36/61/30/467366130.db2.gz QVIKUHNRTLNAJS-QUCCMNQESA-N 2 1 345.487 2.302 20 30 EEEDMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1C#N ZINC000488130755 468072864 /nfs/dbraw/zinc/07/28/64/468072864.db2.gz WGNASQRBGDXDAD-XLIONFOSSA-N 2 1 326.488 2.325 20 30 EEEDMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1C#N ZINC000488130755 468072867 /nfs/dbraw/zinc/07/28/67/468072867.db2.gz WGNASQRBGDXDAD-XLIONFOSSA-N 2 1 326.488 2.325 20 30 EEEDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000566113441 468144155 /nfs/dbraw/zinc/14/41/55/468144155.db2.gz ZLFIQMSZARVLCZ-MOPGFXCFSA-N 2 1 345.487 2.060 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C#N)C(C)(C)C)CC2)CC1 ZINC000577961938 468194516 /nfs/dbraw/zinc/19/45/16/468194516.db2.gz HAIPKQZSZWDJQI-QGZVFWFLSA-N 2 1 334.508 2.237 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](CC#N)C3)CC2)CC1 ZINC000597904807 468707467 /nfs/dbraw/zinc/70/74/67/468707467.db2.gz ULVLDIYLXDWRHG-KRWDZBQOSA-N 2 1 346.519 2.335 20 30 EEEDMP C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000595409066 468841546 /nfs/dbraw/zinc/84/15/46/468841546.db2.gz KCEGSDHEPBFABZ-FXAWDEMLSA-N 2 1 326.488 2.059 20 30 EEEDMP C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000595409066 468841551 /nfs/dbraw/zinc/84/15/51/468841551.db2.gz KCEGSDHEPBFABZ-FXAWDEMLSA-N 2 1 326.488 2.059 20 30 EEEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000733328751 577222981 /nfs/dbraw/zinc/22/29/81/577222981.db2.gz BAXFVWOLJSPCIX-HXUWFJFHSA-N 2 1 328.456 2.432 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970042903 675415259 /nfs/dbraw/zinc/41/52/59/675415259.db2.gz OXCDKEGTBGZOKZ-KURKYZTESA-N 2 1 347.890 2.275 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001021094574 675719163 /nfs/dbraw/zinc/71/91/63/675719163.db2.gz UDOCMYNRBFHKKW-GUDVDZBRSA-N 2 1 340.471 2.169 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001022596653 677975893 /nfs/dbraw/zinc/97/58/93/677975893.db2.gz PORZPGOOOLVWPW-UDTPNQRGSA-N 2 1 340.471 2.025 20 30 EEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000972401011 678685598 /nfs/dbraw/zinc/68/55/98/678685598.db2.gz GYPTWSXZNGTKFQ-OTWHNJEPSA-N 2 1 327.472 2.051 20 30 EEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972401011 678685599 /nfs/dbraw/zinc/68/55/99/678685599.db2.gz GYPTWSXZNGTKFQ-OTWHNJEPSA-N 2 1 327.472 2.051 20 30 EEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972401011 678685602 /nfs/dbraw/zinc/68/56/02/678685602.db2.gz GYPTWSXZNGTKFQ-OTWHNJEPSA-N 2 1 327.472 2.051 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001023698025 679487609 /nfs/dbraw/zinc/48/76/09/679487609.db2.gz NDVLDMDGQXKNSI-INIZCTEOSA-N 2 1 339.443 2.285 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557508 681645122 /nfs/dbraw/zinc/64/51/22/681645122.db2.gz PHPIWVSNXFTVIA-RLLQIKCJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557508 681645127 /nfs/dbraw/zinc/64/51/27/681645127.db2.gz PHPIWVSNXFTVIA-RLLQIKCJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557508 681645130 /nfs/dbraw/zinc/64/51/30/681645130.db2.gz PHPIWVSNXFTVIA-RLLQIKCJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982560803 681646960 /nfs/dbraw/zinc/64/69/60/681646960.db2.gz MXNJZYXBBWLZMH-BHYGNILZSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982560803 681646962 /nfs/dbraw/zinc/64/69/62/681646962.db2.gz MXNJZYXBBWLZMH-BHYGNILZSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800730 682254437 /nfs/dbraw/zinc/25/44/37/682254437.db2.gz YNGBAYRBGIVJCN-SJORKVTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800730 682254442 /nfs/dbraw/zinc/25/44/42/682254442.db2.gz YNGBAYRBGIVJCN-SJORKVTESA-N 2 1 330.476 2.158 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240043 682296007 /nfs/dbraw/zinc/29/60/07/682296007.db2.gz KPTIEFIKIIYXJW-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240043 682296010 /nfs/dbraw/zinc/29/60/10/682296010.db2.gz KPTIEFIKIIYXJW-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025247143 682315936 /nfs/dbraw/zinc/31/59/36/682315936.db2.gz IRWNMRFCCCMJNS-MOPGFXCFSA-N 2 1 336.439 2.427 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596786 683078114 /nfs/dbraw/zinc/07/81/14/683078114.db2.gz HHZRMYMXAQEUIS-JKSUJKDBSA-N 2 1 328.460 2.001 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033538 686084241 /nfs/dbraw/zinc/08/42/41/686084241.db2.gz DNRQEQPHDSBNCM-KSSFIOAISA-N 2 1 325.472 2.212 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033538 686084243 /nfs/dbraw/zinc/08/42/43/686084243.db2.gz DNRQEQPHDSBNCM-KSSFIOAISA-N 2 1 325.472 2.212 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033538 686084245 /nfs/dbraw/zinc/08/42/45/686084245.db2.gz DNRQEQPHDSBNCM-KSSFIOAISA-N 2 1 325.472 2.212 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027333635 687520175 /nfs/dbraw/zinc/52/01/75/687520175.db2.gz ZDPOYDPTMOSRAP-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027333635 687520183 /nfs/dbraw/zinc/52/01/83/687520183.db2.gz ZDPOYDPTMOSRAP-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000979074405 694152460 /nfs/dbraw/zinc/15/24/60/694152460.db2.gz CKTNBFGXTZDQRI-LDLYASANSA-N 2 1 327.472 2.232 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414736 688010203 /nfs/dbraw/zinc/01/02/03/688010203.db2.gz VNEDGVFBTQDTNL-CVEARBPZSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414736 688010205 /nfs/dbraw/zinc/01/02/05/688010205.db2.gz VNEDGVFBTQDTNL-CVEARBPZSA-N 2 1 325.884 2.004 20 30 EEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCc2ccccc2C1 ZINC000262784787 688458603 /nfs/dbraw/zinc/45/86/03/688458603.db2.gz MBRBUNURVCAISR-GOSISDBHSA-N 2 1 332.517 2.057 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001481455514 1181402581 /nfs/dbraw/zinc/40/25/81/1181402581.db2.gz AMNCNCYOCQHDQA-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001481455514 1181402587 /nfs/dbraw/zinc/40/25/87/1181402587.db2.gz AMNCNCYOCQHDQA-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001481455514 1181402590 /nfs/dbraw/zinc/40/25/90/1181402590.db2.gz AMNCNCYOCQHDQA-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001088394017 1186782708 /nfs/dbraw/zinc/78/27/08/1186782708.db2.gz TVMSFEJEIVWPSS-KRWDZBQOSA-N 2 1 330.476 2.391 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001105427406 1186940968 /nfs/dbraw/zinc/94/09/68/1186940968.db2.gz KQBULKMVARBILT-RVWIWJKTSA-N 2 1 341.499 2.463 20 30 EEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001105556017 1188171861 /nfs/dbraw/zinc/17/18/61/1188171861.db2.gz ACEKAMIFQLPNQO-FHWLQOOXSA-N 2 1 345.531 2.491 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001168320534 1188290795 /nfs/dbraw/zinc/29/07/95/1188290795.db2.gz AURPAUGFHLBHOF-UHFFFAOYSA-N 2 1 342.487 2.275 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033417654 1194540910 /nfs/dbraw/zinc/54/09/10/1194540910.db2.gz WVOIUGCBGPCLMC-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033417654 1194540915 /nfs/dbraw/zinc/54/09/15/1194540915.db2.gz WVOIUGCBGPCLMC-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033417654 1194540919 /nfs/dbraw/zinc/54/09/19/1194540919.db2.gz WVOIUGCBGPCLMC-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001033685541 1195067975 /nfs/dbraw/zinc/06/79/75/1195067975.db2.gz VKCZIOCKZNCWMQ-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001034404137 1196197264 /nfs/dbraw/zinc/19/72/64/1196197264.db2.gz GWQRBEGQJYWUGL-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034404137 1196197266 /nfs/dbraw/zinc/19/72/66/1196197266.db2.gz GWQRBEGQJYWUGL-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034404137 1196197270 /nfs/dbraw/zinc/19/72/70/1196197270.db2.gz GWQRBEGQJYWUGL-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001034539089 1196361957 /nfs/dbraw/zinc/36/19/57/1196361957.db2.gz VHERZINLVLJGGJ-HKUYNNGSSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034545177 1196372309 /nfs/dbraw/zinc/37/23/09/1196372309.db2.gz ZCFLWZHONSRDOM-GOSISDBHSA-N 2 1 327.472 2.356 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335107 1199583496 /nfs/dbraw/zinc/58/34/96/1199583496.db2.gz JMFADJRASPTPMZ-SJORKVTESA-N 2 1 330.476 2.389 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335107 1199583500 /nfs/dbraw/zinc/58/35/00/1199583500.db2.gz JMFADJRASPTPMZ-SJORKVTESA-N 2 1 330.476 2.389 20 30 EEEDMP C[C@H]1C(=NNC(=S)NCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000811642119 1200199388 /nfs/dbraw/zinc/19/93/88/1200199388.db2.gz GBNVHRHKUSZYLG-HNNXBMFYSA-N 2 1 347.532 2.053 20 30 EEEDMP C[C@H]1C(=NNC(=S)NCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000811642119 1200199390 /nfs/dbraw/zinc/19/93/90/1200199390.db2.gz GBNVHRHKUSZYLG-HNNXBMFYSA-N 2 1 347.532 2.053 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(OC)c1 ZINC000136902956 1202471040 /nfs/dbraw/zinc/47/10/40/1202471040.db2.gz ZTCRTYCUZJLLNZ-MRXNPFEDSA-N 2 1 332.492 2.361 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)COCc1ccccc1 ZINC000303876276 1213917972 /nfs/dbraw/zinc/91/79/72/1213917972.db2.gz IBFWFPXRWLEZTC-WMZOPIPTSA-N 2 1 332.492 2.228 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC000957550107 1215202113 /nfs/dbraw/zinc/20/21/13/1215202113.db2.gz JXEYDPVEXULTRR-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCCF)CC2 ZINC000957561164 1215212071 /nfs/dbraw/zinc/21/20/71/1215212071.db2.gz HLVOGPNPCNGCTJ-SFHVURJKSA-N 2 1 349.494 2.148 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCCF)CC2 ZINC000957561164 1215212074 /nfs/dbraw/zinc/21/20/74/1215212074.db2.gz HLVOGPNPCNGCTJ-SFHVURJKSA-N 2 1 349.494 2.148 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568963 1215219596 /nfs/dbraw/zinc/21/95/96/1215219596.db2.gz SSHDHVHPUWDCPE-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000957569169 1215219759 /nfs/dbraw/zinc/21/97/59/1215219759.db2.gz YKNTWHBNQVTMIZ-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957636103 1215281262 /nfs/dbraw/zinc/28/12/62/1215281262.db2.gz YFQXOZUSROSRAI-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000960273775 1216464034 /nfs/dbraw/zinc/46/40/34/1216464034.db2.gz SYVPTZXBORCPPL-CEXWTWQISA-N 2 1 327.472 2.419 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960677626 1216788076 /nfs/dbraw/zinc/78/80/76/1216788076.db2.gz VFPYQUPTUGKQSZ-OALUTQOASA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960677626 1216788079 /nfs/dbraw/zinc/78/80/79/1216788079.db2.gz VFPYQUPTUGKQSZ-OALUTQOASA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960677626 1216788083 /nfs/dbraw/zinc/78/80/83/1216788083.db2.gz VFPYQUPTUGKQSZ-OALUTQOASA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960677626 1216788087 /nfs/dbraw/zinc/78/80/87/1216788087.db2.gz VFPYQUPTUGKQSZ-OALUTQOASA-N 2 1 345.531 2.443 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC000960720259 1216834299 /nfs/dbraw/zinc/83/42/99/1216834299.db2.gz SONNSPMRGLIPNB-WMLDXEAASA-N 2 1 348.516 2.383 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961188718 1217077336 /nfs/dbraw/zinc/07/73/36/1217077336.db2.gz XOBBHUWEWBFTJD-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188718 1217077339 /nfs/dbraw/zinc/07/73/39/1217077339.db2.gz XOBBHUWEWBFTJD-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188718 1217077341 /nfs/dbraw/zinc/07/73/41/1217077341.db2.gz XOBBHUWEWBFTJD-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961192873 1217080184 /nfs/dbraw/zinc/08/01/84/1217080184.db2.gz DBEUAZVZGIVNIM-OALUTQOASA-N 2 1 343.515 2.056 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961260103 1217115682 /nfs/dbraw/zinc/11/56/82/1217115682.db2.gz KAYWKCLSKIGQCO-VQTJNVASSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432210 1217187487 /nfs/dbraw/zinc/18/74/87/1217187487.db2.gz PNXKDCGAPLERPM-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961432210 1217187489 /nfs/dbraw/zinc/18/74/89/1217187489.db2.gz PNXKDCGAPLERPM-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961432210 1217187492 /nfs/dbraw/zinc/18/74/92/1217187492.db2.gz PNXKDCGAPLERPM-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511699 1222898401 /nfs/dbraw/zinc/89/84/01/1222898401.db2.gz YCGRWBWOTXBHOL-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008511699 1222898402 /nfs/dbraw/zinc/89/84/02/1222898402.db2.gz YCGRWBWOTXBHOL-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008511699 1222898406 /nfs/dbraw/zinc/89/84/06/1222898406.db2.gz YCGRWBWOTXBHOL-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001020145738 1229510205 /nfs/dbraw/zinc/51/02/05/1229510205.db2.gz PKQFBASZYLGLHH-GUDVDZBRSA-N 2 1 340.471 2.168 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2csc(C)c2)CC1 ZINC001039042001 1230258132 /nfs/dbraw/zinc/25/81/32/1230258132.db2.gz KTYLYWGKAOLETP-GOSISDBHSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2csc(C)c2)CC1 ZINC001039042001 1230258135 /nfs/dbraw/zinc/25/81/35/1230258135.db2.gz KTYLYWGKAOLETP-GOSISDBHSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)c2ccccc2)CC1 ZINC001039041537 1230258177 /nfs/dbraw/zinc/25/81/77/1230258177.db2.gz FAWPSJTWXLOIQM-YLJYHZDGSA-N 2 1 339.483 2.283 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001039249578 1230485829 /nfs/dbraw/zinc/48/58/29/1230485829.db2.gz CDFZPKSFDVLTPB-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001039386835 1230571220 /nfs/dbraw/zinc/57/12/20/1230571220.db2.gz GHBPCHQDWWAQIN-CEXWTWQISA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001039386835 1230571222 /nfs/dbraw/zinc/57/12/22/1230571222.db2.gz GHBPCHQDWWAQIN-CEXWTWQISA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039386835 1230571224 /nfs/dbraw/zinc/57/12/24/1230571224.db2.gz GHBPCHQDWWAQIN-CEXWTWQISA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039386835 1230571225 /nfs/dbraw/zinc/57/12/25/1230571225.db2.gz GHBPCHQDWWAQIN-CEXWTWQISA-N 2 1 329.488 2.092 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040232780 1231120493 /nfs/dbraw/zinc/12/04/93/1231120493.db2.gz UEGBKAAHMAUOQU-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040232780 1231120494 /nfs/dbraw/zinc/12/04/94/1231120494.db2.gz UEGBKAAHMAUOQU-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040232780 1231120496 /nfs/dbraw/zinc/12/04/96/1231120496.db2.gz UEGBKAAHMAUOQU-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001040396532 1231206903 /nfs/dbraw/zinc/20/69/03/1231206903.db2.gz VFFFMICXFRPNLT-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001040396532 1231206907 /nfs/dbraw/zinc/20/69/07/1231206907.db2.gz VFFFMICXFRPNLT-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001040707661 1231343516 /nfs/dbraw/zinc/34/35/16/1231343516.db2.gz GFBOTGPWLKRAMM-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040846482 1231386424 /nfs/dbraw/zinc/38/64/24/1231386424.db2.gz CAPSIRKSIBTJFX-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001041288477 1231495846 /nfs/dbraw/zinc/49/58/46/1231495846.db2.gz XGABIMVQOCZTRM-GHTZIAJQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041288477 1231495848 /nfs/dbraw/zinc/49/58/48/1231495848.db2.gz XGABIMVQOCZTRM-GHTZIAJQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041288477 1231495850 /nfs/dbraw/zinc/49/58/50/1231495850.db2.gz XGABIMVQOCZTRM-GHTZIAJQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041357421 1231519008 /nfs/dbraw/zinc/51/90/08/1231519008.db2.gz HHYXRFJUQQOSPE-PZJWPPBQSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357421 1231519011 /nfs/dbraw/zinc/51/90/11/1231519011.db2.gz HHYXRFJUQQOSPE-PZJWPPBQSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357421 1231519013 /nfs/dbraw/zinc/51/90/13/1231519013.db2.gz HHYXRFJUQQOSPE-PZJWPPBQSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041591144 1231613406 /nfs/dbraw/zinc/61/34/06/1231613406.db2.gz WHUQFIIFBYBJLD-TZIWHRDSSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591144 1231613408 /nfs/dbraw/zinc/61/34/08/1231613408.db2.gz WHUQFIIFBYBJLD-TZIWHRDSSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591144 1231613409 /nfs/dbraw/zinc/61/34/09/1231613409.db2.gz WHUQFIIFBYBJLD-TZIWHRDSSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778997 1231690268 /nfs/dbraw/zinc/69/02/68/1231690268.db2.gz JRPIARZTNIQNQS-NHCUHLMSSA-N 2 1 339.483 2.021 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042369347 1232050793 /nfs/dbraw/zinc/05/07/93/1232050793.db2.gz WTSXGJRNHPKZIG-VQIMIIECSA-N 2 1 327.472 2.471 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001042376398 1232054355 /nfs/dbraw/zinc/05/43/55/1232054355.db2.gz RJQMDCMTSLGCDG-SJLPKXTDSA-N 2 1 343.471 2.291 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC001044741433 1233226956 /nfs/dbraw/zinc/22/69/56/1233226956.db2.gz AJNIYIMZPVASNG-HOTGVXAUSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001045441196 1233747369 /nfs/dbraw/zinc/74/73/69/1233747369.db2.gz XMAOXZCMZFFKIN-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001045441196 1233747370 /nfs/dbraw/zinc/74/73/70/1233747370.db2.gz XMAOXZCMZFFKIN-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045967082 1234247315 /nfs/dbraw/zinc/24/73/15/1234247315.db2.gz MUZGVRCJYNNJAZ-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045967082 1234247318 /nfs/dbraw/zinc/24/73/18/1234247318.db2.gz MUZGVRCJYNNJAZ-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045967082 1234247321 /nfs/dbraw/zinc/24/73/21/1234247321.db2.gz MUZGVRCJYNNJAZ-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046955011 1235352759 /nfs/dbraw/zinc/35/27/59/1235352759.db2.gz WPAOWBGTTGPUJB-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046955011 1235352762 /nfs/dbraw/zinc/35/27/62/1235352762.db2.gz WPAOWBGTTGPUJB-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046955011 1235352767 /nfs/dbraw/zinc/35/27/67/1235352767.db2.gz WPAOWBGTTGPUJB-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001000186722 1240042420 /nfs/dbraw/zinc/04/24/20/1240042420.db2.gz VWNDIWFVZAXECS-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC001000241414 1240093633 /nfs/dbraw/zinc/09/36/33/1240093633.db2.gz RBXSGMXCLDTSDU-IRXDYDNUSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)CC1 ZINC001000242127 1240093809 /nfs/dbraw/zinc/09/38/09/1240093809.db2.gz AZSXNKWZRNWBGT-QGZVFWFLSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001111433037 1241358773 /nfs/dbraw/zinc/35/87/73/1241358773.db2.gz MUOOOCZNPCYPLM-AKHDSKFASA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001111433037 1241358783 /nfs/dbraw/zinc/35/87/83/1241358783.db2.gz MUOOOCZNPCYPLM-AKHDSKFASA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001111433037 1241358796 /nfs/dbraw/zinc/35/87/96/1241358796.db2.gz MUOOOCZNPCYPLM-AKHDSKFASA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001111433037 1241358805 /nfs/dbraw/zinc/35/88/05/1241358805.db2.gz MUOOOCZNPCYPLM-AKHDSKFASA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001001156140 1241739955 /nfs/dbraw/zinc/73/99/55/1241739955.db2.gz JBPIMKVMWZQHAX-UHFFFAOYSA-N 2 1 344.459 2.208 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001001156140 1241739960 /nfs/dbraw/zinc/73/99/60/1241739960.db2.gz JBPIMKVMWZQHAX-UHFFFAOYSA-N 2 1 344.459 2.208 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001001403624 1242205561 /nfs/dbraw/zinc/20/55/61/1242205561.db2.gz AIZQVIFSKOCUHS-IBGZPJMESA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC3CC(C)C3)CC2)CC1 ZINC001001473158 1242340897 /nfs/dbraw/zinc/34/08/97/1242340897.db2.gz XQOWRVNXZPNZGQ-UHFFFAOYSA-N 2 1 343.515 2.126 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC=C(C)C)CC1 ZINC001049909347 1242657549 /nfs/dbraw/zinc/65/75/49/1242657549.db2.gz ADXJDIKONQSRJC-WOJBJXKFSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919825 1242710388 /nfs/dbraw/zinc/71/03/88/1242710388.db2.gz PSHWVHKOABACKN-PMACEKPBSA-N 2 1 339.483 2.450 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050066201 1242765467 /nfs/dbraw/zinc/76/54/67/1242765467.db2.gz FXJZOXWJOPROKM-YESZJQIVSA-N 2 1 328.460 2.259 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050066201 1242765477 /nfs/dbraw/zinc/76/54/77/1242765477.db2.gz FXJZOXWJOPROKM-YESZJQIVSA-N 2 1 328.460 2.259 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050661837 1244069800 /nfs/dbraw/zinc/06/98/00/1244069800.db2.gz DIJOCFGJBMIACL-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052824875 1245085775 /nfs/dbraw/zinc/08/57/75/1245085775.db2.gz ATDKUYSIKZSYOV-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052824875 1245085777 /nfs/dbraw/zinc/08/57/77/1245085777.db2.gz ATDKUYSIKZSYOV-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036614 1245735672 /nfs/dbraw/zinc/73/56/72/1245735672.db2.gz NRLJOUWDRKWQAN-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107309 1245926015 /nfs/dbraw/zinc/92/60/15/1245926015.db2.gz DWTIKGFZBUFLCL-MOPGFXCFSA-N 2 1 342.487 2.308 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107309 1245926020 /nfs/dbraw/zinc/92/60/20/1245926020.db2.gz DWTIKGFZBUFLCL-MOPGFXCFSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001101575126 1245979443 /nfs/dbraw/zinc/97/94/43/1245979443.db2.gz USKDUUYVKIJYHD-UHFFFAOYSA-N 2 1 335.536 2.452 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)O2 ZINC001053701398 1246678410 /nfs/dbraw/zinc/67/84/10/1246678410.db2.gz USYUYMYWUMPVJN-MSOLQXFVSA-N 2 1 349.519 2.177 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001052254967 1246782918 /nfs/dbraw/zinc/78/29/18/1246782918.db2.gz SLFKBQUCTYAXES-YOEHRIQHSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001052254967 1246782930 /nfs/dbraw/zinc/78/29/30/1246782930.db2.gz SLFKBQUCTYAXES-YOEHRIQHSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001052254967 1246782936 /nfs/dbraw/zinc/78/29/36/1246782936.db2.gz SLFKBQUCTYAXES-YOEHRIQHSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC3CC3)C2)C1 ZINC001054147332 1247524359 /nfs/dbraw/zinc/52/43/59/1247524359.db2.gz OKNUNTONWNXOSD-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC3CC3)C2)C1 ZINC001054147332 1247524365 /nfs/dbraw/zinc/52/43/65/1247524365.db2.gz OKNUNTONWNXOSD-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054147332 1247524373 /nfs/dbraw/zinc/52/43/73/1247524373.db2.gz OKNUNTONWNXOSD-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054147332 1247524377 /nfs/dbraw/zinc/52/43/77/1247524377.db2.gz OKNUNTONWNXOSD-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054152808 1247541302 /nfs/dbraw/zinc/54/13/02/1247541302.db2.gz IEOMNVDUMIFNJX-HXUWFJFHSA-N 2 1 343.515 2.200 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052650981 1247773225 /nfs/dbraw/zinc/77/32/25/1247773225.db2.gz BZTAAMGFWWUTTI-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052650981 1247773232 /nfs/dbraw/zinc/77/32/32/1247773232.db2.gz BZTAAMGFWWUTTI-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052650981 1247773240 /nfs/dbraw/zinc/77/32/40/1247773240.db2.gz BZTAAMGFWWUTTI-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001071066208 1253934009 /nfs/dbraw/zinc/93/40/09/1253934009.db2.gz HBOFISLCQVZJSA-QRVBRYPASA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001071689618 1254516901 /nfs/dbraw/zinc/51/69/01/1254516901.db2.gz NINVHNSBJDUQOC-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001071689618 1254516906 /nfs/dbraw/zinc/51/69/06/1254516906.db2.gz NINVHNSBJDUQOC-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001072847312 1255429033 /nfs/dbraw/zinc/42/90/33/1255429033.db2.gz BMSCNQJBEIILLW-UHFFFAOYSA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001072921884 1255496481 /nfs/dbraw/zinc/49/64/81/1255496481.db2.gz UXNSGMGPBUWQEB-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001072921884 1255496494 /nfs/dbraw/zinc/49/64/94/1255496494.db2.gz UXNSGMGPBUWQEB-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073003853 1255558679 /nfs/dbraw/zinc/55/86/79/1255558679.db2.gz PRBJTNYUVAIHQT-MOPGFXCFSA-N 2 1 339.483 2.052 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](C[C@@H](F)CC)C3)CC1 ZINC001099174570 1257994027 /nfs/dbraw/zinc/99/40/27/1257994027.db2.gz UNFFJQWWOQYXME-BJLQDIEVSA-N 2 1 349.494 2.050 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099496883 1258178129 /nfs/dbraw/zinc/17/81/29/1258178129.db2.gz MZVSQRKSGNPDSP-MHORFTMASA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496883 1258178133 /nfs/dbraw/zinc/17/81/33/1258178133.db2.gz MZVSQRKSGNPDSP-MHORFTMASA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496883 1258178136 /nfs/dbraw/zinc/17/81/36/1258178136.db2.gz MZVSQRKSGNPDSP-MHORFTMASA-N 2 1 333.520 2.462 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CCC)C1 ZINC001099552257 1258199963 /nfs/dbraw/zinc/19/99/63/1258199963.db2.gz KARHBJNSOCICPY-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099552257 1258199965 /nfs/dbraw/zinc/19/99/65/1258199965.db2.gz KARHBJNSOCICPY-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099552257 1258199972 /nfs/dbraw/zinc/19/99/72/1258199972.db2.gz KARHBJNSOCICPY-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001100796073 1259270375 /nfs/dbraw/zinc/27/03/75/1259270375.db2.gz SHIRODAAYAXVCK-UHFFFAOYSA-N 2 1 339.443 2.332 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185789889 1278782828 /nfs/dbraw/zinc/78/28/28/1278782828.db2.gz WFPGBPGBPMHUIZ-QUCCMNQESA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185789889 1278782838 /nfs/dbraw/zinc/78/28/38/1278782838.db2.gz WFPGBPGBPMHUIZ-QUCCMNQESA-N 2 1 341.499 2.216 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001203958675 1287224797 /nfs/dbraw/zinc/22/47/97/1287224797.db2.gz IKWXFRQYHDBHPJ-UHFFFAOYSA-N 2 1 329.488 2.487 20 30 EEEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201052027 1287271875 /nfs/dbraw/zinc/27/18/75/1287271875.db2.gz DGFPMKRPBPZZDD-LJQANCHMSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946584 1281721338 /nfs/dbraw/zinc/72/13/38/1281721338.db2.gz DQCGVRSTROEYLG-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946354 1281721424 /nfs/dbraw/zinc/72/14/24/1281721424.db2.gz AWGVFMDDGWXNPO-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191946354 1281721431 /nfs/dbraw/zinc/72/14/31/1281721431.db2.gz AWGVFMDDGWXNPO-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191946354 1281721439 /nfs/dbraw/zinc/72/14/39/1281721439.db2.gz AWGVFMDDGWXNPO-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001192190889 1281848391 /nfs/dbraw/zinc/84/83/91/1281848391.db2.gz VCWZLZPVWXAFBQ-VQTJNVASSA-N 2 1 341.499 2.157 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001193569437 1282566302 /nfs/dbraw/zinc/56/63/02/1282566302.db2.gz BTTKAMRKCIWCTC-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCCCC)C2)CC1 ZINC001194246897 1282956306 /nfs/dbraw/zinc/95/63/06/1282956306.db2.gz SMMYKQYEHPJRIC-LJQANCHMSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885625 1285412183 /nfs/dbraw/zinc/41/21/83/1285412183.db2.gz MQHQWVUBMPOUBP-IEBWSBKVSA-N 2 1 345.487 2.052 20 30 EEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202197938 1289941575 /nfs/dbraw/zinc/94/15/75/1289941575.db2.gz YAAZANPNSIVARR-INIZCTEOSA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071973987 1295058146 /nfs/dbraw/zinc/05/81/46/1295058146.db2.gz JTMZOOCJTOAKGP-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268033 1295789447 /nfs/dbraw/zinc/78/94/47/1295789447.db2.gz GDUHQUIENITCJS-RBUKOAKNSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526832 1296072963 /nfs/dbraw/zinc/07/29/63/1296072963.db2.gz XCOQVQJMINBNOZ-KZNAEPCWSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001213526832 1296072979 /nfs/dbraw/zinc/07/29/79/1296072979.db2.gz XCOQVQJMINBNOZ-KZNAEPCWSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001213526832 1296072986 /nfs/dbraw/zinc/07/29/86/1296072986.db2.gz XCOQVQJMINBNOZ-KZNAEPCWSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539235 1299197963 /nfs/dbraw/zinc/19/79/63/1299197963.db2.gz ZOMOCZBEPDHLFA-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP CCCCCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001222682262 1299785891 /nfs/dbraw/zinc/78/58/91/1299785891.db2.gz KFPMAVWQZXHYMX-GOSISDBHSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001222682262 1299785906 /nfs/dbraw/zinc/78/59/06/1299785906.db2.gz KFPMAVWQZXHYMX-GOSISDBHSA-N 2 1 339.524 2.116 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372560 1300951712 /nfs/dbraw/zinc/95/17/12/1300951712.db2.gz JJOWYYKESLNKBJ-GPMSIDNRSA-N 2 1 339.499 2.459 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372560 1300951716 /nfs/dbraw/zinc/95/17/16/1300951716.db2.gz JJOWYYKESLNKBJ-GPMSIDNRSA-N 2 1 339.499 2.459 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372560 1300951721 /nfs/dbraw/zinc/95/17/21/1300951721.db2.gz JJOWYYKESLNKBJ-GPMSIDNRSA-N 2 1 339.499 2.459 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102430402 1301030612 /nfs/dbraw/zinc/03/06/12/1301030612.db2.gz PEDUTXCJGXOAIQ-CZUORRHYSA-N 2 1 327.900 2.155 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225591620 1301077870 /nfs/dbraw/zinc/07/78/70/1301077870.db2.gz WDWYZIGFEBUIJG-IBGZPJMESA-N 2 1 327.472 2.141 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001228603657 1302333036 /nfs/dbraw/zinc/33/30/36/1302333036.db2.gz QXVGKXSRLJUQCO-KBAYOESNSA-N 2 1 330.476 2.347 20 30 EEEDMP C=CCC[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001229222623 1302682642 /nfs/dbraw/zinc/68/26/42/1302682642.db2.gz DDEDEFPFLCBZAI-UHFFFAOYSA-N 2 1 329.488 2.318 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436481 1302959232 /nfs/dbraw/zinc/95/92/32/1302959232.db2.gz ZXLQEBZFRULKPI-IIAWOOMASA-N 2 1 327.900 2.155 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001230605200 1303312002 /nfs/dbraw/zinc/31/20/02/1303312002.db2.gz NBNGNMUKSWPERA-SFHVURJKSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230605200 1303312010 /nfs/dbraw/zinc/31/20/10/1303312010.db2.gz NBNGNMUKSWPERA-SFHVURJKSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230605200 1303312017 /nfs/dbraw/zinc/31/20/17/1303312017.db2.gz NBNGNMUKSWPERA-SFHVURJKSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+](CCCNC(=O)c1cc2c[nH]ccc-2n1)Cc1cccnc1 ZINC001230783259 1303454768 /nfs/dbraw/zinc/45/47/68/1303454768.db2.gz DUKHJIONTUCNFU-UHFFFAOYSA-N 2 1 347.422 2.213 20 30 EEEDMP C#CC[N@H+](CCCNC(=O)c1cc2c[nH]ccc-2n1)Cc1cccnc1 ZINC001230783259 1303454772 /nfs/dbraw/zinc/45/47/72/1303454772.db2.gz DUKHJIONTUCNFU-UHFFFAOYSA-N 2 1 347.422 2.213 20 30 EEEDMP C#Cc1cccc(C[N@@H+]2CCc3nnc(CN4CCCCC4)n3CC2)c1 ZINC001231659906 1303884407 /nfs/dbraw/zinc/88/44/07/1303884407.db2.gz WSDCYHKKXJKKQD-UHFFFAOYSA-N 2 1 349.482 2.304 20 30 EEEDMP CC(C)OCC[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277656760 1304100761 /nfs/dbraw/zinc/10/07/61/1304100761.db2.gz AZJBQTSGQPFRPB-UHFFFAOYSA-N 2 1 330.476 2.220 20 30 EEEDMP N#Cc1cccc(CCC[N@H+]2CC[C@H]3CN(CCn4ccnc4)C[C@H]32)c1 ZINC001278126672 1306024351 /nfs/dbraw/zinc/02/43/51/1306024351.db2.gz CCBJQUAHPBELDD-LEWJYISDSA-N 2 1 349.482 2.394 20 30 EEEDMP N#Cc1cccc(CCCN2CC[C@H]3C[N@H+](CCn4ccnc4)C[C@H]32)c1 ZINC001278126672 1306024352 /nfs/dbraw/zinc/02/43/52/1306024352.db2.gz CCBJQUAHPBELDD-LEWJYISDSA-N 2 1 349.482 2.394 20 30 EEEDMP COCC[N@@H+](C)Cc1ccnc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240345997 1309308544 /nfs/dbraw/zinc/30/85/44/1309308544.db2.gz BJNJXYVJRJMSTA-UHFFFAOYSA-N 2 1 336.439 2.385 20 30 EEEDMP C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001245982478 1310201798 /nfs/dbraw/zinc/20/17/98/1310201798.db2.gz PKKZJJHUHMOTKL-YESZJQIVSA-N 2 1 326.481 2.005 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC001246304542 1310276480 /nfs/dbraw/zinc/27/64/80/1310276480.db2.gz DWZHZCSDXUXKNJ-OALUTQOASA-N 2 1 345.487 2.077 20 30 EEEDMP N#Cc1ccc2[nH]cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c2c1 ZINC001140116105 1314812751 /nfs/dbraw/zinc/81/27/51/1314812751.db2.gz RKARNSLPRLQZDQ-UHFFFAOYSA-N 2 1 337.471 2.253 20 30 EEEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001150451913 1316267425 /nfs/dbraw/zinc/26/74/25/1316267425.db2.gz BVVWZNGPYZFYNS-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001150451913 1316267426 /nfs/dbraw/zinc/26/74/26/1316267426.db2.gz BVVWZNGPYZFYNS-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001150451913 1316267429 /nfs/dbraw/zinc/26/74/29/1316267429.db2.gz BVVWZNGPYZFYNS-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714958 1316352081 /nfs/dbraw/zinc/35/20/81/1316352081.db2.gz IWNCWRJCDUSFES-GOSISDBHSA-N 2 1 339.524 2.260 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001153998343 1316933025 /nfs/dbraw/zinc/93/30/25/1316933025.db2.gz PMAZCSLHKFCERE-RDTXWAMCSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374571 1317984654 /nfs/dbraw/zinc/98/46/54/1317984654.db2.gz SUXNLZUMKDBGMV-UYAOXDASSA-N 2 1 341.499 2.207 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374571 1317984661 /nfs/dbraw/zinc/98/46/61/1317984661.db2.gz SUXNLZUMKDBGMV-UYAOXDASSA-N 2 1 341.499 2.207 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374571 1317984664 /nfs/dbraw/zinc/98/46/64/1317984664.db2.gz SUXNLZUMKDBGMV-UYAOXDASSA-N 2 1 341.499 2.207 20 30 EEEDMP C[NH+]1CCC([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001256208071 1318680183 /nfs/dbraw/zinc/68/01/83/1318680183.db2.gz VTNDKIOTBGRRMU-FQEVSTJZSA-N 2 1 338.455 2.081 20 30 EEEDMP C[NH+]1CCC([N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001256208071 1318680192 /nfs/dbraw/zinc/68/01/92/1318680192.db2.gz VTNDKIOTBGRRMU-FQEVSTJZSA-N 2 1 338.455 2.081 20 30 EEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001158397804 1319219054 /nfs/dbraw/zinc/21/90/54/1319219054.db2.gz PULLCJQJUJNGOZ-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001158397804 1319219058 /nfs/dbraw/zinc/21/90/58/1319219058.db2.gz PULLCJQJUJNGOZ-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001158397804 1319219062 /nfs/dbraw/zinc/21/90/62/1319219062.db2.gz PULLCJQJUJNGOZ-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001159328626 1319742241 /nfs/dbraw/zinc/74/22/41/1319742241.db2.gz UUTDJIVFOXMFLQ-IBGZPJMESA-N 2 1 345.462 2.148 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131479 1320079442 /nfs/dbraw/zinc/07/94/42/1320079442.db2.gz NGNOQMBOYRQIAT-RTBURBONSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131479 1320079445 /nfs/dbraw/zinc/07/94/45/1320079445.db2.gz NGNOQMBOYRQIAT-RTBURBONSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131479 1320079449 /nfs/dbraw/zinc/07/94/49/1320079449.db2.gz NGNOQMBOYRQIAT-RTBURBONSA-N 2 1 329.488 2.023 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567645 1320200792 /nfs/dbraw/zinc/20/07/92/1320200792.db2.gz HYZJNWPZGHKPJX-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567645 1320200795 /nfs/dbraw/zinc/20/07/95/1320200795.db2.gz HYZJNWPZGHKPJX-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567645 1320200798 /nfs/dbraw/zinc/20/07/98/1320200798.db2.gz HYZJNWPZGHKPJX-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804197 1320274055 /nfs/dbraw/zinc/27/40/55/1320274055.db2.gz DWXHYSKWCWVLKD-UHFFFAOYSA-N 2 1 331.504 2.413 20 30 EEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001161213865 1320422310 /nfs/dbraw/zinc/42/23/10/1320422310.db2.gz MRZFVGVHIQZAKK-KRWDZBQOSA-N 2 1 328.460 2.078 20 30 EEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001161213865 1320422312 /nfs/dbraw/zinc/42/23/12/1320422312.db2.gz MRZFVGVHIQZAKK-KRWDZBQOSA-N 2 1 328.460 2.078 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161694629 1320590459 /nfs/dbraw/zinc/59/04/59/1320590459.db2.gz QEYCMSUPTOKASJ-UHFFFAOYSA-N 2 1 343.515 2.270 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001166627412 1321753787 /nfs/dbraw/zinc/75/37/87/1321753787.db2.gz VBYFYSSVYLNAEY-INIZCTEOSA-N 2 1 347.890 2.272 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203816482 1321967578 /nfs/dbraw/zinc/96/75/78/1321967578.db2.gz XPUAHBPQAWRVHL-RBUKOAKNSA-N 2 1 339.483 2.159 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203816482 1321967579 /nfs/dbraw/zinc/96/75/79/1321967579.db2.gz XPUAHBPQAWRVHL-RBUKOAKNSA-N 2 1 339.483 2.159 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205678244 1323240031 /nfs/dbraw/zinc/24/00/31/1323240031.db2.gz BCESOGBXRMMDTI-PKOBYXMFSA-N 2 1 345.462 2.075 20 30 EEEDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1[O-])CC2 ZINC001276492962 1323597560 /nfs/dbraw/zinc/59/75/60/1323597560.db2.gz DGQVYICMHFSSFJ-UHFFFAOYSA-N 2 1 342.487 2.113 20 30 EEEDMP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1O)CC2 ZINC001276492962 1323597561 /nfs/dbraw/zinc/59/75/61/1323597561.db2.gz DGQVYICMHFSSFJ-UHFFFAOYSA-N 2 1 342.487 2.113 20 30 EEEDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1O)CC2 ZINC001276492962 1323597566 /nfs/dbraw/zinc/59/75/66/1323597566.db2.gz DGQVYICMHFSSFJ-UHFFFAOYSA-N 2 1 342.487 2.113 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001208340803 1324436375 /nfs/dbraw/zinc/43/63/75/1324436375.db2.gz QJIZCJYKEVGFMR-IBGZPJMESA-N 2 1 339.483 2.103 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCCO1 ZINC001200858712 1338690758 /nfs/dbraw/zinc/69/07/58/1338690758.db2.gz IBXPUIDJJJKUGI-QGZVFWFLSA-N 2 1 337.508 2.033 20 30 EEEDMP COC(=O)c1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C#N ZINC001578875632 1344312589 /nfs/dbraw/zinc/31/25/89/1344312589.db2.gz SPWGCEPYZVJPJP-CABCVRRESA-N 2 1 327.428 2.166 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544558 1367620248 /nfs/dbraw/zinc/62/02/48/1367620248.db2.gz XPSPOEPGVCEOER-QRVBRYPASA-N 2 1 335.536 2.450 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001488683371 1369030207 /nfs/dbraw/zinc/03/02/07/1369030207.db2.gz FQYSKKRHKDBNSH-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001488683371 1369030210 /nfs/dbraw/zinc/03/02/10/1369030210.db2.gz FQYSKKRHKDBNSH-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001488683371 1369030215 /nfs/dbraw/zinc/03/02/15/1369030215.db2.gz FQYSKKRHKDBNSH-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001488683371 1369030218 /nfs/dbraw/zinc/03/02/18/1369030218.db2.gz FQYSKKRHKDBNSH-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CCC)CC1 ZINC001389526126 1388171155 /nfs/dbraw/zinc/17/11/55/1388171155.db2.gz IYAGTJJGPCJJDG-HNNXBMFYSA-N 2 1 327.900 2.442 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001366443280 1373899845 /nfs/dbraw/zinc/89/98/45/1373899845.db2.gz XYWJHXOKXKGQRB-RTBURBONSA-N 2 1 342.487 2.417 20 30 EEEDMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)C12CCC[NH+]1CCC2 ZINC001375073120 1377340281 /nfs/dbraw/zinc/34/02/81/1377340281.db2.gz MWPMIBVPCXGWPF-AWEZNQCLSA-N 2 1 346.500 2.185 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)C12CCC[NH+]1CCC2 ZINC001375073120 1377340283 /nfs/dbraw/zinc/34/02/83/1377340283.db2.gz MWPMIBVPCXGWPF-AWEZNQCLSA-N 2 1 346.500 2.185 20 30 EEEDMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001378165923 1379747477 /nfs/dbraw/zinc/74/74/77/1379747477.db2.gz NXFBXYYUGKZBHV-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001378165923 1379747486 /nfs/dbraw/zinc/74/74/86/1379747486.db2.gz NXFBXYYUGKZBHV-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP C[NH+](CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1)CC(C)(C)C ZINC001390814796 1388795828 /nfs/dbraw/zinc/79/58/28/1388795828.db2.gz ABIKBCPVAQHCNU-UHFFFAOYSA-N 2 1 336.505 2.146 20 30 EEEDMP C[NH+](CC(=O)NCC[N@H+](C)Cc1ccc(C#N)s1)CC(C)(C)C ZINC001390814796 1388795829 /nfs/dbraw/zinc/79/58/29/1388795829.db2.gz ABIKBCPVAQHCNU-UHFFFAOYSA-N 2 1 336.505 2.146 20 30 EEEDMP C[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)Cc1ccc(C#N)s1 ZINC001390814796 1388795831 /nfs/dbraw/zinc/79/58/31/1388795831.db2.gz ABIKBCPVAQHCNU-UHFFFAOYSA-N 2 1 336.505 2.146 20 30 EEEDMP C[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)Cc1ccc(C#N)s1 ZINC001390814796 1388795833 /nfs/dbraw/zinc/79/58/33/1388795833.db2.gz ABIKBCPVAQHCNU-UHFFFAOYSA-N 2 1 336.505 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001391364700 1389317063 /nfs/dbraw/zinc/31/70/63/1389317063.db2.gz WQHVSBKQIULNJJ-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001425914299 1401800733 /nfs/dbraw/zinc/80/07/33/1401800733.db2.gz LWUJNSJALGRZCT-ZIAGYGMSSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001576600231 1403589586 /nfs/dbraw/zinc/58/95/86/1403589586.db2.gz ZKEYQTOMTMLXQZ-XLIONFOSSA-N 2 1 326.488 2.454 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001755711803 1407765890 /nfs/dbraw/zinc/76/58/90/1407765890.db2.gz IJXCAFJCDJMJCG-FGTMMUONSA-N 2 1 330.476 2.374 20 30 EEEDMP C#CC[NH2+][C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC001755722595 1407782695 /nfs/dbraw/zinc/78/26/95/1407782695.db2.gz JAXIYEDXSUCRGF-IHPCNDPISA-N 2 1 341.499 2.057 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730145 1411044178 /nfs/dbraw/zinc/04/41/78/1411044178.db2.gz DDHNBQPZZDEOPD-HIFRSBDPSA-N 2 1 327.900 2.345 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439739 782354642 /nfs/dbraw/zinc/35/46/42/782354642.db2.gz UEHQZVXFBQERCL-HKUYNNGSSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439739 782354648 /nfs/dbraw/zinc/35/46/48/782354648.db2.gz UEHQZVXFBQERCL-HKUYNNGSSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439739 782354656 /nfs/dbraw/zinc/35/46/56/782354656.db2.gz UEHQZVXFBQERCL-HKUYNNGSSA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167096210 757286957 /nfs/dbraw/zinc/28/69/57/757286957.db2.gz WRARMGIQPHAZPB-MOPGFXCFSA-N 2 1 329.488 2.394 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104290508 758124878 /nfs/dbraw/zinc/12/48/78/758124878.db2.gz AWYQFHXJBQGGEO-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001210789667 758129854 /nfs/dbraw/zinc/12/98/54/758129854.db2.gz QERCGUMOVJXVAL-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001087304134 761545413 /nfs/dbraw/zinc/54/54/13/761545413.db2.gz XUPLIKWEXFCZSN-NZSAHSFTSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001087304134 761545421 /nfs/dbraw/zinc/54/54/21/761545421.db2.gz XUPLIKWEXFCZSN-NZSAHSFTSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982503 782689248 /nfs/dbraw/zinc/68/92/48/782689248.db2.gz JTAHTWYWIKSGLY-WBVHZDCISA-N 2 1 345.512 2.227 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC(C)(C)C1 ZINC001089492179 769832844 /nfs/dbraw/zinc/83/28/44/769832844.db2.gz CWGUMPCONRXYNJ-BRWVUGGUSA-N 2 1 342.487 2.154 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089646839 773683647 /nfs/dbraw/zinc/68/36/47/773683647.db2.gz QDQXRYIYZAWNCE-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089646839 773683651 /nfs/dbraw/zinc/68/36/51/773683651.db2.gz QDQXRYIYZAWNCE-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089646839 773683657 /nfs/dbraw/zinc/68/36/57/773683657.db2.gz QDQXRYIYZAWNCE-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089869545 783131243 /nfs/dbraw/zinc/13/12/43/783131243.db2.gz LWLVDOBCAVZYKP-RDGPPVDQSA-N 2 1 331.504 2.073 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980138968 773928813 /nfs/dbraw/zinc/92/88/13/773928813.db2.gz IEDJFCXNNLKGFE-OKZBNKHCSA-N 2 1 336.439 2.188 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCC=C)C[C@@H]3C2)CC1 ZINC000980258518 774203786 /nfs/dbraw/zinc/20/37/86/774203786.db2.gz WJJXBNWMCSUSBI-SLFFLAALSA-N 2 1 343.515 2.124 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089683927 774308423 /nfs/dbraw/zinc/30/84/23/774308423.db2.gz KMUFXIQBSKIEMO-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089683927 774308430 /nfs/dbraw/zinc/30/84/30/774308430.db2.gz KMUFXIQBSKIEMO-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089683927 774308436 /nfs/dbraw/zinc/30/84/36/774308436.db2.gz KMUFXIQBSKIEMO-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001089805936 775956221 /nfs/dbraw/zinc/95/62/21/775956221.db2.gz MFJINDDJYJEBFR-VJANTYMQSA-N 2 1 343.515 2.053 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000997606920 790428349 /nfs/dbraw/zinc/42/83/49/790428349.db2.gz NGOMKCQVGMSUSR-KRWDZBQOSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC000997624112 790468190 /nfs/dbraw/zinc/46/81/90/790468190.db2.gz LFOWWNICEVCXHM-SZMVWBNQSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC000997624112 790468195 /nfs/dbraw/zinc/46/81/95/790468195.db2.gz LFOWWNICEVCXHM-SZMVWBNQSA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001089839006 777493394 /nfs/dbraw/zinc/49/33/94/777493394.db2.gz ODKHQMOHBJCDFV-KNTRFNDTSA-N 2 1 348.450 2.140 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032540117 790823082 /nfs/dbraw/zinc/82/30/82/790823082.db2.gz RDMOSVVRPDMOFC-ROUUACIJSA-N 2 1 327.472 2.266 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860220 790871956 /nfs/dbraw/zinc/87/19/56/790871956.db2.gz ADIDCTHAUGJHIF-VKJFTORMSA-N 2 1 325.472 2.354 20 30 EEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997749681 790982039 /nfs/dbraw/zinc/98/20/39/790982039.db2.gz XMOGPEVPTRNOEU-WMLDXEAASA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@]13CC[NH+](C1)CCC3)CC2 ZINC001035250681 784198758 /nfs/dbraw/zinc/19/87/58/784198758.db2.gz SEWWYFXACFENOD-FQEVSTJZSA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@]13CC[N@H+](C1)CCC3)CC2 ZINC001035250681 784198761 /nfs/dbraw/zinc/19/87/61/784198761.db2.gz SEWWYFXACFENOD-FQEVSTJZSA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)CC2 ZINC001035250681 784198765 /nfs/dbraw/zinc/19/87/65/784198765.db2.gz SEWWYFXACFENOD-FQEVSTJZSA-N 2 1 331.504 2.363 20 30 EEEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135689727 784249961 /nfs/dbraw/zinc/24/99/61/784249961.db2.gz AUSZVPMFFFLUBW-ZWKOTPCHSA-N 2 1 339.524 2.328 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135980921 784907561 /nfs/dbraw/zinc/90/75/61/784907561.db2.gz UXGPNSBFDXHKSR-LSDHHAIUSA-N 2 1 348.466 2.412 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995914958 785838049 /nfs/dbraw/zinc/83/80/49/785838049.db2.gz NAVVQRPKODDGAF-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC000996209613 786156318 /nfs/dbraw/zinc/15/63/18/786156318.db2.gz VLMRTAFILNANIX-NVXWUHKLSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107425567 787203603 /nfs/dbraw/zinc/20/36/03/787203603.db2.gz CGXWEIDIKXJTEK-LZLYRXPVSA-N 2 1 325.472 2.213 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550702 787580262 /nfs/dbraw/zinc/58/02/62/787580262.db2.gz JMKCVCHKGBIXOR-YLJYHZDGSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550702 787580270 /nfs/dbraw/zinc/58/02/70/787580270.db2.gz JMKCVCHKGBIXOR-YLJYHZDGSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550702 787580274 /nfs/dbraw/zinc/58/02/74/787580274.db2.gz JMKCVCHKGBIXOR-YLJYHZDGSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107579318 787734707 /nfs/dbraw/zinc/73/47/07/787734707.db2.gz COXPNBRFBKRACL-QWFCFKBJSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC000946846120 788593386 /nfs/dbraw/zinc/59/33/86/788593386.db2.gz QCRVEYAPXFKJCW-BGYRXZFFSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941775 789559078 /nfs/dbraw/zinc/55/90/78/789559078.db2.gz NFGOFVSMWPQAAW-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941775 789559087 /nfs/dbraw/zinc/55/90/87/789559087.db2.gz NFGOFVSMWPQAAW-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941775 789559094 /nfs/dbraw/zinc/55/90/94/789559094.db2.gz NFGOFVSMWPQAAW-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001146592998 791361572 /nfs/dbraw/zinc/36/15/72/791361572.db2.gz LPYPIMSQGRRZGY-LSDHHAIUSA-N 2 1 348.466 2.410 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001171308509 791854574 /nfs/dbraw/zinc/85/45/74/791854574.db2.gz SWBBFYPPIHDIJA-MSOLQXFVSA-N 2 1 339.499 2.488 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001171308509 791854579 /nfs/dbraw/zinc/85/45/79/791854579.db2.gz SWBBFYPPIHDIJA-MSOLQXFVSA-N 2 1 339.499 2.488 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC000998044345 791880618 /nfs/dbraw/zinc/88/06/18/791880618.db2.gz GQFGWHISBYSEJT-MSOLQXFVSA-N 2 1 342.487 2.172 20 30 EEEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001148292677 792332349 /nfs/dbraw/zinc/33/23/49/792332349.db2.gz POVNESHCRHLPEE-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292677 792332361 /nfs/dbraw/zinc/33/23/61/792332361.db2.gz POVNESHCRHLPEE-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292677 792332375 /nfs/dbraw/zinc/33/23/75/792332375.db2.gz POVNESHCRHLPEE-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC000998270676 792411692 /nfs/dbraw/zinc/41/16/92/792411692.db2.gz VGNBLPQGUDFPOO-HUUCEWRRSA-N 2 1 347.425 2.416 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992265048 793443657 /nfs/dbraw/zinc/44/36/57/793443657.db2.gz WPCVXPIVZGUXGF-QFBILLFUSA-N 2 1 328.460 2.143 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992265048 793443659 /nfs/dbraw/zinc/44/36/59/793443659.db2.gz WPCVXPIVZGUXGF-QFBILLFUSA-N 2 1 328.460 2.143 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092190770 793653529 /nfs/dbraw/zinc/65/35/29/793653529.db2.gz WYXADADVAFNSSK-DYXWJJEUSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190770 793653533 /nfs/dbraw/zinc/65/35/33/793653533.db2.gz WYXADADVAFNSSK-DYXWJJEUSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190770 793653537 /nfs/dbraw/zinc/65/35/37/793653537.db2.gz WYXADADVAFNSSK-DYXWJJEUSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092910031 794429741 /nfs/dbraw/zinc/42/97/41/794429741.db2.gz PSRSGPKKNGPVQZ-SYAUCNOPSA-N 2 1 327.900 2.153 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092910031 794429747 /nfs/dbraw/zinc/42/97/47/794429747.db2.gz PSRSGPKKNGPVQZ-SYAUCNOPSA-N 2 1 327.900 2.153 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092910031 794429751 /nfs/dbraw/zinc/42/97/51/794429751.db2.gz PSRSGPKKNGPVQZ-SYAUCNOPSA-N 2 1 327.900 2.153 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001079287034 794556536 /nfs/dbraw/zinc/55/65/36/794556536.db2.gz LEKYPNIGZBEMDA-UHOSZYNNSA-N 2 1 345.462 2.380 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094434045 796227337 /nfs/dbraw/zinc/22/73/37/796227337.db2.gz OPCCFELOSOHOOR-SFHLNBCPSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094434045 796227342 /nfs/dbraw/zinc/22/73/42/796227342.db2.gz OPCCFELOSOHOOR-SFHLNBCPSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094434045 796227345 /nfs/dbraw/zinc/22/73/45/796227345.db2.gz OPCCFELOSOHOOR-SFHLNBCPSA-N 2 1 343.515 2.387 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001089967830 796302478 /nfs/dbraw/zinc/30/24/78/796302478.db2.gz HYPLZQUZXIVDMS-SFHVURJKSA-N 2 1 349.519 2.036 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902918 796441572 /nfs/dbraw/zinc/44/15/72/796441572.db2.gz SCARNJQWTCNXHU-WOJBJXKFSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160680 796470920 /nfs/dbraw/zinc/47/09/20/796470920.db2.gz ZDZAVJPHFNZIGH-YDZRNGNQSA-N 2 1 325.456 2.034 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160680 796470925 /nfs/dbraw/zinc/47/09/25/796470925.db2.gz ZDZAVJPHFNZIGH-YDZRNGNQSA-N 2 1 325.456 2.034 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001110160261 796488482 /nfs/dbraw/zinc/48/84/82/796488482.db2.gz HLWKMQAZZTZXME-QYZOEREBSA-N 2 1 340.471 2.120 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001110160261 796488486 /nfs/dbraw/zinc/48/84/86/796488486.db2.gz HLWKMQAZZTZXME-QYZOEREBSA-N 2 1 340.471 2.120 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001110160261 796488491 /nfs/dbraw/zinc/48/84/91/796488491.db2.gz HLWKMQAZZTZXME-QYZOEREBSA-N 2 1 340.471 2.120 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001110160261 796488494 /nfs/dbraw/zinc/48/84/94/796488494.db2.gz HLWKMQAZZTZXME-QYZOEREBSA-N 2 1 340.471 2.120 20 30 EEEDMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976913 797178499 /nfs/dbraw/zinc/17/84/99/797178499.db2.gz XBNMAXGLQDFRDA-JYJNAYRXSA-N 2 1 336.480 2.352 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001112563800 806574976 /nfs/dbraw/zinc/57/49/76/806574976.db2.gz OOOYMSLABWHDPP-BQFCYCMXSA-N 2 1 339.911 2.299 20 30 EEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174929173 797919641 /nfs/dbraw/zinc/91/96/41/797919641.db2.gz OHVBQOGFZXNWBH-WBVHZDCISA-N 2 1 330.476 2.042 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994490634 798084060 /nfs/dbraw/zinc/08/40/60/798084060.db2.gz WCZVMRWUMGUWSK-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001084418135 798184473 /nfs/dbraw/zinc/18/44/73/798184473.db2.gz XAAGVSBHCJANJB-CEXWTWQISA-N 2 1 343.515 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001084418135 798184476 /nfs/dbraw/zinc/18/44/76/798184476.db2.gz XAAGVSBHCJANJB-CEXWTWQISA-N 2 1 343.515 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CC(C)(C)C3)C[C@H]21 ZINC001084418135 798184477 /nfs/dbraw/zinc/18/44/77/798184477.db2.gz XAAGVSBHCJANJB-CEXWTWQISA-N 2 1 343.515 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CC(C)(C)C3)C[C@H]21 ZINC001084418135 798184480 /nfs/dbraw/zinc/18/44/80/798184480.db2.gz XAAGVSBHCJANJB-CEXWTWQISA-N 2 1 343.515 2.053 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089383407 798284028 /nfs/dbraw/zinc/28/40/28/798284028.db2.gz YGEIACDHXHOSEF-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383407 798284034 /nfs/dbraw/zinc/28/40/34/798284034.db2.gz YGEIACDHXHOSEF-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383407 798284040 /nfs/dbraw/zinc/28/40/40/798284040.db2.gz YGEIACDHXHOSEF-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563776 798497350 /nfs/dbraw/zinc/49/73/50/798497350.db2.gz HGUCJLMSKIUAKW-VQIMIIECSA-N 2 1 342.487 2.275 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001177151946 798777320 /nfs/dbraw/zinc/77/73/20/798777320.db2.gz WZGPXTAJSQYWNA-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001177151946 798777324 /nfs/dbraw/zinc/77/73/24/798777324.db2.gz WZGPXTAJSQYWNA-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495309 799155631 /nfs/dbraw/zinc/15/56/31/799155631.db2.gz BSHPNAMPNBSICC-IAGOWNOFSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495309 799155634 /nfs/dbraw/zinc/15/56/34/799155634.db2.gz BSHPNAMPNBSICC-IAGOWNOFSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495309 799155636 /nfs/dbraw/zinc/15/56/36/799155636.db2.gz BSHPNAMPNBSICC-IAGOWNOFSA-N 2 1 337.508 2.031 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003624674 799905356 /nfs/dbraw/zinc/90/53/56/799905356.db2.gz UKFNPRYUJXOBRQ-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003624674 799905360 /nfs/dbraw/zinc/90/53/60/799905360.db2.gz UKFNPRYUJXOBRQ-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085307348 800342894 /nfs/dbraw/zinc/34/28/94/800342894.db2.gz SIBHAUMCOZAYEQ-GUDVDZBRSA-N 2 1 331.504 2.434 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181518027 800830700 /nfs/dbraw/zinc/83/07/00/800830700.db2.gz NDZSCFXXZVCIKD-MBOZVWFJSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(=C)C)C1 ZINC001181764851 800896910 /nfs/dbraw/zinc/89/69/10/800896910.db2.gz XAMZHDULGBGKLN-WSTZPKSXSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(=C)C)C1 ZINC001181764851 800896916 /nfs/dbraw/zinc/89/69/16/800896916.db2.gz XAMZHDULGBGKLN-WSTZPKSXSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085781866 801245022 /nfs/dbraw/zinc/24/50/22/801245022.db2.gz HHLMMHZJHRZKMQ-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781866 801245028 /nfs/dbraw/zinc/24/50/28/801245028.db2.gz HHLMMHZJHRZKMQ-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781866 801245035 /nfs/dbraw/zinc/24/50/35/801245035.db2.gz HHLMMHZJHRZKMQ-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182807849 801357245 /nfs/dbraw/zinc/35/72/45/801357245.db2.gz YWQOLLBIKRGXFW-QWFCFKBJSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591109 801597201 /nfs/dbraw/zinc/59/72/01/801597201.db2.gz OCTFONDJIIKIAP-ZSYWTGECSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946591109 801597207 /nfs/dbraw/zinc/59/72/07/801597207.db2.gz OCTFONDJIIKIAP-ZSYWTGECSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591109 801597212 /nfs/dbraw/zinc/59/72/12/801597212.db2.gz OCTFONDJIIKIAP-ZSYWTGECSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001004459309 802124562 /nfs/dbraw/zinc/12/45/62/802124562.db2.gz SIKKMTRHLWBYJP-QZTJIDSGSA-N 2 1 340.471 2.097 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001004459309 802124567 /nfs/dbraw/zinc/12/45/67/802124567.db2.gz SIKKMTRHLWBYJP-QZTJIDSGSA-N 2 1 340.471 2.097 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001004523616 802286973 /nfs/dbraw/zinc/28/69/73/802286973.db2.gz SMBQXNPWQDGCJP-WDSOQIARSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004523616 802286978 /nfs/dbraw/zinc/28/69/78/802286978.db2.gz SMBQXNPWQDGCJP-WDSOQIARSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004523616 802286983 /nfs/dbraw/zinc/28/69/83/802286983.db2.gz SMBQXNPWQDGCJP-WDSOQIARSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCn2ncc(CNC(=O)C[NH+](CC)CC)c2C1 ZINC001128524417 802762396 /nfs/dbraw/zinc/76/23/96/802762396.db2.gz HEBJCOTWSOHKIL-INIZCTEOSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCn2ncc(CNC(=O)C[NH+](CC)CC)c2C1 ZINC001128524417 802762398 /nfs/dbraw/zinc/76/23/98/802762398.db2.gz HEBJCOTWSOHKIL-INIZCTEOSA-N 2 1 347.507 2.011 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946729173 802916036 /nfs/dbraw/zinc/91/60/36/802916036.db2.gz VYANSIMEJMICRQ-ZCNNSNEGSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946729173 802916041 /nfs/dbraw/zinc/91/60/41/802916041.db2.gz VYANSIMEJMICRQ-ZCNNSNEGSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946729173 802916043 /nfs/dbraw/zinc/91/60/43/802916043.db2.gz VYANSIMEJMICRQ-ZCNNSNEGSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001086516259 803205402 /nfs/dbraw/zinc/20/54/02/803205402.db2.gz FGUBTHHMVJPJKO-CTYIDZIISA-N 2 1 345.834 2.118 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804270743 803309917 /nfs/dbraw/zinc/30/99/17/803309917.db2.gz CAIOEDIUZBEUNX-QGZVFWFLSA-N 2 1 327.428 2.345 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001108419979 803511222 /nfs/dbraw/zinc/51/12/22/803511222.db2.gz UTGNUCHWHFIRAD-HXUWFJFHSA-N 2 1 345.487 2.145 20 30 EEEDMP CC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)CC1 ZINC001169237825 803664513 /nfs/dbraw/zinc/66/45/13/803664513.db2.gz ABMJUWCICXHMPK-UHFFFAOYSA-N 2 1 340.471 2.237 20 30 EEEDMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001130615880 811859255 /nfs/dbraw/zinc/85/92/55/811859255.db2.gz UQPNSSOFDKKZOH-UHFFFAOYSA-N 2 1 348.516 2.479 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001130711624 811960238 /nfs/dbraw/zinc/96/02/38/811960238.db2.gz YHTCJXOIWWOMEC-GOSISDBHSA-N 2 1 346.450 2.024 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001111678643 811997786 /nfs/dbraw/zinc/99/77/86/811997786.db2.gz NRIONCXHHDCLJL-BJLQDIEVSA-N 2 1 349.519 2.034 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001442857319 1097250418 /nfs/dbraw/zinc/25/04/18/1097250418.db2.gz AAVSDHLLEANWMZ-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001442857319 1097250420 /nfs/dbraw/zinc/25/04/20/1097250420.db2.gz AAVSDHLLEANWMZ-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001442857319 1097250424 /nfs/dbraw/zinc/25/04/24/1097250424.db2.gz AAVSDHLLEANWMZ-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444310467 1098869039 /nfs/dbraw/zinc/86/90/39/1098869039.db2.gz PXTJRQPWPJPYES-APWZRJJASA-N 2 1 342.487 2.275 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CCC2)CC[N@H+]1C ZINC001447199341 1102187569 /nfs/dbraw/zinc/18/75/69/1102187569.db2.gz OJYFFYNIMRKSCF-CRAIPNDOSA-N 2 1 340.471 2.027 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501081020 1113192245 /nfs/dbraw/zinc/19/22/45/1113192245.db2.gz XEUSWRGJABMALU-QFBILLFUSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001506491431 1114647482 /nfs/dbraw/zinc/64/74/82/1114647482.db2.gz VTSFCSFVRLVWAF-OAHLLOKOSA-N 2 1 326.872 2.407 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000491643258 246094817 /nfs/dbraw/zinc/09/48/17/246094817.db2.gz DTTMTWKDVIHTCP-HNNXBMFYSA-N 2 1 343.240 2.166 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000491643258 246094823 /nfs/dbraw/zinc/09/48/23/246094823.db2.gz DTTMTWKDVIHTCP-HNNXBMFYSA-N 2 1 343.240 2.166 20 30 EEEDMP C[N@@H+](CCN1CC[NH+](CCCSCC#N)CC1)Cc1ccccc1 ZINC000074990567 462663810 /nfs/dbraw/zinc/66/38/10/462663810.db2.gz KAJGGPLRCBEPFM-UHFFFAOYSA-N 2 1 346.544 2.383 20 30 EEEDMP C[NH+]=C(NCc1ccc(F)c(F)c1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262830779 464048637 /nfs/dbraw/zinc/04/86/37/464048637.db2.gz ZVNAQNZUCBCZNQ-MRXNPFEDSA-N 2 1 342.459 2.067 20 30 EEEDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279475029 464110181 /nfs/dbraw/zinc/11/01/81/464110181.db2.gz WCTVYJWFXHCUAC-MRXNPFEDSA-N 2 1 338.459 2.242 20 30 EEEDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279475029 464110186 /nfs/dbraw/zinc/11/01/86/464110186.db2.gz WCTVYJWFXHCUAC-MRXNPFEDSA-N 2 1 338.459 2.242 20 30 EEEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)NCc1cccc(C(F)(F)F)c1 ZINC000280105505 464189793 /nfs/dbraw/zinc/18/97/93/464189793.db2.gz YDNLZIQMDHHMSD-UHFFFAOYSA-N 2 1 326.366 2.372 20 30 EEEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)NCc1cccc(C(F)(F)F)c1 ZINC000280105505 464189797 /nfs/dbraw/zinc/18/97/97/464189797.db2.gz YDNLZIQMDHHMSD-UHFFFAOYSA-N 2 1 326.366 2.372 20 30 EEEDMP CCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000264080907 464281412 /nfs/dbraw/zinc/28/14/12/464281412.db2.gz HHHZCLVWMAEDPV-UHFFFAOYSA-N 2 1 331.508 2.029 20 30 EEEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NC3CCCC3)c2)CCO1 ZINC000264134140 464286370 /nfs/dbraw/zinc/28/63/70/464286370.db2.gz ZAEWADRTYVOAEH-HNNXBMFYSA-N 2 1 330.476 2.254 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NC3CCCC3)c2)CCO1 ZINC000264134140 464286375 /nfs/dbraw/zinc/28/63/75/464286375.db2.gz ZAEWADRTYVOAEH-HNNXBMFYSA-N 2 1 330.476 2.254 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000371596259 465894009 /nfs/dbraw/zinc/89/40/09/465894009.db2.gz FUCBMHHOSFJCJO-QGZVFWFLSA-N 2 1 334.508 2.343 20 30 EEEDMP CN(c1ccc([N+](=O)[O-])cc1C#N)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372605156 466501660 /nfs/dbraw/zinc/50/16/60/466501660.db2.gz FLVQCQVVCUNHBK-KRWDZBQOSA-N 2 1 343.431 2.071 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2CNc2cccc(C)[nH+]2)CC1 ZINC000364253481 466690675 /nfs/dbraw/zinc/69/06/75/466690675.db2.gz WCWHOACCULOGFZ-GOSISDBHSA-N 2 1 340.471 2.138 20 30 EEEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000424193611 467000657 /nfs/dbraw/zinc/00/06/57/467000657.db2.gz QYBFTJIOZIFQBN-LJQANCHMSA-N 2 1 342.487 2.175 20 30 EEEDMP Cc1cc(NCC[C@H](C)[NH+](C)C)c(C#N)c(NCC[C@H](C)[NH+](C)C)[nH+]1 ZINC000596431824 469264737 /nfs/dbraw/zinc/26/47/37/469264737.db2.gz NHDXOWDOHMEIPD-HOTGVXAUSA-N 3 1 346.523 2.766 20 30 EEEDMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)COc1ccccc1C#N ZINC000603119880 469271878 /nfs/dbraw/zinc/27/18/78/469271878.db2.gz NFEVCXQFWPPRTC-LJQANCHMSA-N 2 1 345.487 2.496 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1CC ZINC001087728501 782142256 /nfs/dbraw/zinc/14/22/56/782142256.db2.gz ZZRMEPJMHZDGEG-FUHWJXTLSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1CC ZINC001087728501 782142262 /nfs/dbraw/zinc/14/22/62/782142262.db2.gz ZZRMEPJMHZDGEG-FUHWJXTLSA-N 2 1 346.475 2.429 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000377208348 526926563 /nfs/dbraw/zinc/92/65/63/526926563.db2.gz JTDWSALZBALLFN-LJQANCHMSA-N 2 1 331.504 2.245 20 30 EEEDMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000447564057 535803705 /nfs/dbraw/zinc/80/37/05/535803705.db2.gz UNJCKZJPDWCNGC-QZTJIDSGSA-N 2 1 328.460 2.186 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039204980 676087650 /nfs/dbraw/zinc/08/76/50/676087650.db2.gz JGOBMPMTXWITAH-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039204980 676087652 /nfs/dbraw/zinc/08/76/52/676087652.db2.gz JGOBMPMTXWITAH-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039204980 676087655 /nfs/dbraw/zinc/08/76/55/676087655.db2.gz JGOBMPMTXWITAH-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2csc(C)c2)C1 ZINC000969864588 675266019 /nfs/dbraw/zinc/26/60/19/675266019.db2.gz DQKRXBHZXWSGRX-QAPCUYQASA-N 2 1 345.512 2.091 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2csc(C)c2)C1 ZINC000969864588 675266022 /nfs/dbraw/zinc/26/60/22/675266022.db2.gz DQKRXBHZXWSGRX-QAPCUYQASA-N 2 1 345.512 2.091 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707847 676366771 /nfs/dbraw/zinc/36/67/71/676366771.db2.gz YSYNXHKDPJXDEI-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP CN(Cc1ccccc1C#N)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971686873 676740450 /nfs/dbraw/zinc/74/04/50/676740450.db2.gz GXVVWFRDPGWBEM-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971686873 676740452 /nfs/dbraw/zinc/74/04/52/676740452.db2.gz GXVVWFRDPGWBEM-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C1)C1CCC1 ZINC000971686873 676740453 /nfs/dbraw/zinc/74/04/53/676740453.db2.gz GXVVWFRDPGWBEM-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1)C1CCC1 ZINC000971686873 676740454 /nfs/dbraw/zinc/74/04/54/676740454.db2.gz GXVVWFRDPGWBEM-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972155116 678326273 /nfs/dbraw/zinc/32/62/73/678326273.db2.gz URODVLQOEXNJEJ-HOTGVXAUSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000972155116 678326278 /nfs/dbraw/zinc/32/62/78/678326278.db2.gz URODVLQOEXNJEJ-HOTGVXAUSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC000972155116 678326280 /nfs/dbraw/zinc/32/62/80/678326280.db2.gz URODVLQOEXNJEJ-HOTGVXAUSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC000972155116 678326283 /nfs/dbraw/zinc/32/62/83/678326283.db2.gz URODVLQOEXNJEJ-HOTGVXAUSA-N 2 1 327.900 2.394 20 30 EEEDMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCC[C@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000158112531 678332127 /nfs/dbraw/zinc/33/21/27/678332127.db2.gz PACWDVJXSUEUSC-LNLFQRSKSA-N 2 1 336.524 2.185 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001024365461 679883047 /nfs/dbraw/zinc/88/30/47/679883047.db2.gz AXZCUVYVZKAQNG-RHSMWYFYSA-N 2 1 346.500 2.185 20 30 EEEDMP CN1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001024365461 679883048 /nfs/dbraw/zinc/88/30/48/679883048.db2.gz AXZCUVYVZKAQNG-RHSMWYFYSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982833138 681355375 /nfs/dbraw/zinc/35/53/75/681355375.db2.gz CTRPOSKJOFALOW-RLLQIKCJSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725886 682111089 /nfs/dbraw/zinc/11/10/89/682111089.db2.gz PJYNBSRMOUZVPR-JYRKZWEQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253584 682342487 /nfs/dbraw/zinc/34/24/87/682342487.db2.gz WKTQQCHLVIMMBF-ZWKOTPCHSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253584 682342490 /nfs/dbraw/zinc/34/24/90/682342490.db2.gz WKTQQCHLVIMMBF-ZWKOTPCHSA-N 2 1 328.460 2.060 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277542 682387043 /nfs/dbraw/zinc/38/70/43/682387043.db2.gz POMOZAODAGFXJG-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277542 682387051 /nfs/dbraw/zinc/38/70/51/682387051.db2.gz POMOZAODAGFXJG-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001025300351 682413121 /nfs/dbraw/zinc/41/31/21/682413121.db2.gz CJAYOMYFCPQVRH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598444 685113563 /nfs/dbraw/zinc/11/35/63/685113563.db2.gz CIWFKVCTKWATSD-MJGOQNOKSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000975064994 686092512 /nfs/dbraw/zinc/09/25/12/686092512.db2.gz SELWXSZXGJCHMV-QGZVFWFLSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000975064994 686092514 /nfs/dbraw/zinc/09/25/14/686092514.db2.gz SELWXSZXGJCHMV-QGZVFWFLSA-N 2 1 346.475 2.287 20 30 EEEDMP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262450598 686125649 /nfs/dbraw/zinc/12/56/49/686125649.db2.gz VYCMNNJOIAAITF-BHIYHBOVSA-N 2 1 348.535 2.185 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000985469493 686957910 /nfs/dbraw/zinc/95/79/10/686957910.db2.gz FFYCSROIXGPXEY-LJQANCHMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000985469493 686957913 /nfs/dbraw/zinc/95/79/13/686957913.db2.gz FFYCSROIXGPXEY-LJQANCHMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000985469493 686957915 /nfs/dbraw/zinc/95/79/15/686957915.db2.gz FFYCSROIXGPXEY-LJQANCHMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000985653263 687397462 /nfs/dbraw/zinc/39/74/62/687397462.db2.gz KGDLNXVJYBDQQA-SFHVURJKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000985653263 687397464 /nfs/dbraw/zinc/39/74/64/687397464.db2.gz KGDLNXVJYBDQQA-SFHVURJKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000985653263 687397469 /nfs/dbraw/zinc/39/74/69/687397469.db2.gz KGDLNXVJYBDQQA-SFHVURJKSA-N 2 1 325.472 2.308 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027333500 687519603 /nfs/dbraw/zinc/51/96/03/687519603.db2.gz WXXIRBYFKBPYNC-PBHICJAKSA-N 2 1 346.500 2.137 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262816275 688538505 /nfs/dbraw/zinc/53/85/05/688538505.db2.gz WRFMTNJYCKEFBP-JKSUJKDBSA-N 2 1 342.487 2.345 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262816275 688538507 /nfs/dbraw/zinc/53/85/07/688538507.db2.gz WRFMTNJYCKEFBP-JKSUJKDBSA-N 2 1 342.487 2.345 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943518900 1192328799 /nfs/dbraw/zinc/32/87/99/1192328799.db2.gz UDULCCUNQKWLSU-LPHOPBHVSA-N 2 1 327.472 2.212 20 30 EEEDMP C[NH+](C)CCC(=O)NCCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001752056390 1179118748 /nfs/dbraw/zinc/11/87/48/1179118748.db2.gz QWLNNAVOHLBIAJ-UHFFFAOYSA-N 2 1 335.879 2.081 20 30 EEEDMP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001754639126 1179126978 /nfs/dbraw/zinc/12/69/78/1179126978.db2.gz WSIUXVIKJRPTIG-UHFFFAOYSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001088382292 1186754803 /nfs/dbraw/zinc/75/48/03/1186754803.db2.gz YMPWNRLCYYXVLN-GOEBONIOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001076604325 1189034580 /nfs/dbraw/zinc/03/45/80/1189034580.db2.gz YKJDRQNMEPMCIG-RBUKOAKNSA-N 2 1 327.472 2.471 20 30 EEEDMP CCCCCCC[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272479189 1190843778 /nfs/dbraw/zinc/84/37/78/1190843778.db2.gz ZHZZOKJDZZUTCZ-IBGZPJMESA-N 2 1 337.508 2.360 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001484728011 1191487471 /nfs/dbraw/zinc/48/74/71/1191487471.db2.gz XPAXGMVPDCWQPB-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001484728011 1191487472 /nfs/dbraw/zinc/48/74/72/1191487472.db2.gz XPAXGMVPDCWQPB-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001484728011 1191487473 /nfs/dbraw/zinc/48/74/73/1191487473.db2.gz XPAXGMVPDCWQPB-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001273128101 1194411298 /nfs/dbraw/zinc/41/12/98/1194411298.db2.gz NKXPAJYNVFDSDP-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033700268 1195092730 /nfs/dbraw/zinc/09/27/30/1195092730.db2.gz VPEDLAMXTKTATE-MRXNPFEDSA-N 2 1 331.460 2.291 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001034274181 1196028552 /nfs/dbraw/zinc/02/85/52/1196028552.db2.gz KQVBOMXDCQYNFL-SJORKVTESA-N 2 1 330.476 2.382 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034364048 1196153042 /nfs/dbraw/zinc/15/30/42/1196153042.db2.gz HWRQZBAUIPDKLM-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364048 1196153046 /nfs/dbraw/zinc/15/30/46/1196153046.db2.gz HWRQZBAUIPDKLM-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364048 1196153050 /nfs/dbraw/zinc/15/30/50/1196153050.db2.gz HWRQZBAUIPDKLM-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478570 1196268331 /nfs/dbraw/zinc/26/83/31/1196268331.db2.gz LUZBDPWSQATAEB-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001034972637 1196929982 /nfs/dbraw/zinc/92/99/82/1196929982.db2.gz GUNUMWNQJYDBET-RHSMWYFYSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519200 1199804475 /nfs/dbraw/zinc/80/44/75/1199804475.db2.gz VAXOGHLRVSCLOM-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC001132886960 1200153289 /nfs/dbraw/zinc/15/32/89/1200153289.db2.gz XULVHQNWIVWHFS-RDJZCZTQSA-N 2 1 347.890 2.128 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132931665 1200209035 /nfs/dbraw/zinc/20/90/35/1200209035.db2.gz BQPRCDGWASBTAD-GJZGRUSLSA-N 2 1 334.464 2.000 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])N3CCCCC3)c2)CCO1 ZINC000104180146 1204612889 /nfs/dbraw/zinc/61/28/89/1204612889.db2.gz VDEVWQNIIAKJCJ-MRXNPFEDSA-N 2 1 330.476 2.208 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])N3CCCCC3)c2)CCO1 ZINC000104180146 1204612893 /nfs/dbraw/zinc/61/28/93/1204612893.db2.gz VDEVWQNIIAKJCJ-MRXNPFEDSA-N 2 1 330.476 2.208 20 30 EEEDMP Cc1ccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1C#N ZINC001275374381 1205327570 /nfs/dbraw/zinc/32/75/70/1205327570.db2.gz XJRPWPPSOMWXSO-UHFFFAOYSA-N 2 1 326.488 2.326 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098189008 1205767205 /nfs/dbraw/zinc/76/72/05/1205767205.db2.gz LMVLITQWDMIFBE-QRVBRYPASA-N 2 1 331.504 2.406 20 30 EEEDMP C#CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)C1=O ZINC001276160820 1205805784 /nfs/dbraw/zinc/80/57/84/1205805784.db2.gz QZWZLAUIAZPWMH-OAQYLSRUSA-N 2 1 348.450 2.238 20 30 EEEDMP C#CCN1CC[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)C1=O ZINC001276160820 1205805786 /nfs/dbraw/zinc/80/57/86/1205805786.db2.gz QZWZLAUIAZPWMH-OAQYLSRUSA-N 2 1 348.450 2.238 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001095531383 1205860725 /nfs/dbraw/zinc/86/07/25/1205860725.db2.gz CJQLNIXDQXTAMM-LTIDMASMSA-N 2 1 328.460 2.448 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001095531383 1205860726 /nfs/dbraw/zinc/86/07/26/1205860726.db2.gz CJQLNIXDQXTAMM-LTIDMASMSA-N 2 1 328.460 2.448 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1C#N ZINC000948039699 1208835701 /nfs/dbraw/zinc/83/57/01/1208835701.db2.gz JWHOXYZXDVDANX-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CN1CCOC2(CCN(C(=O)C[C@H](C)n3ccnc3)CC2)C1 ZINC000949483021 1209708503 /nfs/dbraw/zinc/70/85/03/1209708503.db2.gz JWAZQSIZIHLBKS-KRWDZBQOSA-N 2 1 346.475 2.104 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001114577189 1212367352 /nfs/dbraw/zinc/36/73/52/1212367352.db2.gz PTCOERWCTCFADJ-ZFCANOHDSA-N 2 1 342.487 2.163 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001114577189 1212367359 /nfs/dbraw/zinc/36/73/59/1212367359.db2.gz PTCOERWCTCFADJ-ZFCANOHDSA-N 2 1 342.487 2.163 20 30 EEEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000303897868 1213922526 /nfs/dbraw/zinc/92/25/26/1213922526.db2.gz VFQUQEZMMAGRNL-MRXNPFEDSA-N 2 1 347.507 2.084 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593229 1215238910 /nfs/dbraw/zinc/23/89/10/1215238910.db2.gz OSDVSFOQTCTDFN-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)CC1 ZINC000957621053 1215264368 /nfs/dbraw/zinc/26/43/68/1215264368.db2.gz VJUVIGSDYMWOMJ-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001114835989 1215697388 /nfs/dbraw/zinc/69/73/88/1215697388.db2.gz VPLRYARYXYHFNE-PASDCYSWSA-N 2 1 337.483 2.212 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001114835989 1215697389 /nfs/dbraw/zinc/69/73/89/1215697389.db2.gz VPLRYARYXYHFNE-PASDCYSWSA-N 2 1 337.483 2.212 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001114835989 1215697390 /nfs/dbraw/zinc/69/73/90/1215697390.db2.gz VPLRYARYXYHFNE-PASDCYSWSA-N 2 1 337.483 2.212 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961202028 1217086569 /nfs/dbraw/zinc/08/65/69/1217086569.db2.gz PGSFFGSJSWWWIZ-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961248302 1217108462 /nfs/dbraw/zinc/10/84/62/1217108462.db2.gz DQBDPTWKFWVGEA-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961283769 1217126773 /nfs/dbraw/zinc/12/67/73/1217126773.db2.gz LQUOCRQTBYOWGC-QZTJIDSGSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961283769 1217126774 /nfs/dbraw/zinc/12/67/74/1217126774.db2.gz LQUOCRQTBYOWGC-QZTJIDSGSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292528 1217131833 /nfs/dbraw/zinc/13/18/33/1217131833.db2.gz JQFXRFVZGDWJBF-VQTJNVASSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961375766 1217164119 /nfs/dbraw/zinc/16/41/19/1217164119.db2.gz QIFIWCDQYZHTLH-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961384201 1217168258 /nfs/dbraw/zinc/16/82/58/1217168258.db2.gz OGYUPFBNQIKMLH-IBGZPJMESA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961384201 1217168260 /nfs/dbraw/zinc/16/82/60/1217168260.db2.gz OGYUPFBNQIKMLH-IBGZPJMESA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364963 1217561245 /nfs/dbraw/zinc/56/12/45/1217561245.db2.gz DRMMHQFAPWFQKF-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC000963428009 1217621988 /nfs/dbraw/zinc/62/19/88/1217621988.db2.gz JHLAQQCEYXPOSB-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326763 1221210823 /nfs/dbraw/zinc/21/08/23/1221210823.db2.gz IOSUZJSHZIZACM-PXNSSMCTSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913637 1221665024 /nfs/dbraw/zinc/66/50/24/1221665024.db2.gz IKJXWBILDHBOBL-GOSISDBHSA-N 2 1 331.504 2.247 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC000968965852 1221704198 /nfs/dbraw/zinc/70/41/98/1221704198.db2.gz ZXQHJWAOQZVJSU-IBGZPJMESA-N 2 1 341.499 2.398 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005457 1221734432 /nfs/dbraw/zinc/73/44/32/1221734432.db2.gz TXQCFLCEUKRNEF-QGZVFWFLSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005457 1221734434 /nfs/dbraw/zinc/73/44/34/1221734434.db2.gz TXQCFLCEUKRNEF-QGZVFWFLSA-N 2 1 331.460 2.339 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001008549800 1222921498 /nfs/dbraw/zinc/92/14/98/1222921498.db2.gz GUTIBADGEPTLEZ-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001008549800 1222921501 /nfs/dbraw/zinc/92/15/01/1222921501.db2.gz GUTIBADGEPTLEZ-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014631035 1226860733 /nfs/dbraw/zinc/86/07/33/1226860733.db2.gz OBWLQOOJMIVCRW-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014631035 1226860738 /nfs/dbraw/zinc/86/07/38/1226860738.db2.gz OBWLQOOJMIVCRW-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001014631035 1226860743 /nfs/dbraw/zinc/86/07/43/1226860743.db2.gz OBWLQOOJMIVCRW-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001014631035 1226860749 /nfs/dbraw/zinc/86/07/49/1226860749.db2.gz OBWLQOOJMIVCRW-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016930988 1226979008 /nfs/dbraw/zinc/97/90/08/1226979008.db2.gz OLMSXPSTSHEBFH-GJZGRUSLSA-N 2 1 325.884 2.051 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001018873336 1228475779 /nfs/dbraw/zinc/47/57/79/1228475779.db2.gz OUNBGBPZHTZVGF-RRQGHBQHSA-N 2 1 346.500 2.041 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018990182 1228610560 /nfs/dbraw/zinc/61/05/60/1228610560.db2.gz FHEAWGURJMVKPH-LSDHHAIUSA-N 2 1 346.500 2.185 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001019820353 1229362540 /nfs/dbraw/zinc/36/25/40/1229362540.db2.gz HDDZPMGXTUTZDG-YOEHRIQHSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001020250870 1229582982 /nfs/dbraw/zinc/58/29/82/1229582982.db2.gz VGTHLZZJZIDGRR-FHWLQOOXSA-N 2 1 343.515 2.291 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001020250870 1229582985 /nfs/dbraw/zinc/58/29/85/1229582985.db2.gz VGTHLZZJZIDGRR-FHWLQOOXSA-N 2 1 343.515 2.291 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001039139880 1230354106 /nfs/dbraw/zinc/35/41/06/1230354106.db2.gz MCZLZYNJEFUARS-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139880 1230354111 /nfs/dbraw/zinc/35/41/11/1230354111.db2.gz MCZLZYNJEFUARS-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139880 1230354115 /nfs/dbraw/zinc/35/41/15/1230354115.db2.gz MCZLZYNJEFUARS-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542716 1231284218 /nfs/dbraw/zinc/28/42/18/1231284218.db2.gz CUPQBRMGNNBEKB-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699695 1231340162 /nfs/dbraw/zinc/34/01/62/1231340162.db2.gz DEWQQHFBNSEVIU-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(CC)CC)C2)C1 ZINC001041368236 1231521765 /nfs/dbraw/zinc/52/17/65/1231521765.db2.gz KUSHABQHEWMWGE-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(CC)CC)C2)C1 ZINC001041368236 1231521766 /nfs/dbraw/zinc/52/17/66/1231521766.db2.gz KUSHABQHEWMWGE-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001041368236 1231521767 /nfs/dbraw/zinc/52/17/67/1231521767.db2.gz KUSHABQHEWMWGE-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001041368236 1231521770 /nfs/dbraw/zinc/52/17/70/1231521770.db2.gz KUSHABQHEWMWGE-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847847 1231730655 /nfs/dbraw/zinc/73/06/55/1231730655.db2.gz WDDCWGBOIIYGQH-TZIWHRDSSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847847 1231730656 /nfs/dbraw/zinc/73/06/56/1231730656.db2.gz WDDCWGBOIIYGQH-TZIWHRDSSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254285 1231985149 /nfs/dbraw/zinc/98/51/49/1231985149.db2.gz KEEYQCXVIYXQHQ-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254285 1231985151 /nfs/dbraw/zinc/98/51/51/1231985151.db2.gz KEEYQCXVIYXQHQ-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001044684903 1233177034 /nfs/dbraw/zinc/17/70/34/1233177034.db2.gz LWOCYJBVALJAJR-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045942843 1234201914 /nfs/dbraw/zinc/20/19/14/1234201914.db2.gz BEIHJXMOMTVGCD-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945208 1234206194 /nfs/dbraw/zinc/20/61/94/1234206194.db2.gz ORTNXCXQCYMVMA-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945208 1234206195 /nfs/dbraw/zinc/20/61/95/1234206195.db2.gz ORTNXCXQCYMVMA-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945208 1234206199 /nfs/dbraw/zinc/20/61/99/1234206199.db2.gz ORTNXCXQCYMVMA-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001045947595 1234209870 /nfs/dbraw/zinc/20/98/70/1234209870.db2.gz MVVGBCQIZYDDGK-HXUWFJFHSA-N 2 1 343.515 2.200 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001046849217 1235246290 /nfs/dbraw/zinc/24/62/90/1235246290.db2.gz CPQXOCUJZPDSJO-NRFANRHFSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCc3nccn32)C1 ZINC001046943198 1235336843 /nfs/dbraw/zinc/33/68/43/1235336843.db2.gz QOFFQOCSLIJBLJ-ZIAGYGMSSA-N 2 1 338.402 2.020 20 30 EEEDMP C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCc3nccn32)C1 ZINC001046943198 1235336848 /nfs/dbraw/zinc/33/68/48/1235336848.db2.gz QOFFQOCSLIJBLJ-ZIAGYGMSSA-N 2 1 338.402 2.020 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](C/C=C\Cl)C3)CC1 ZINC001047209721 1235673386 /nfs/dbraw/zinc/67/33/86/1235673386.db2.gz WOAVDUZUIOLHSI-NWWYLMPXSA-N 2 1 349.906 2.053 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001047249519 1235744156 /nfs/dbraw/zinc/74/41/56/1235744156.db2.gz ABABBIMOMNWZBS-IBGZPJMESA-N 2 1 342.487 2.165 20 30 EEEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047255593 1235758708 /nfs/dbraw/zinc/75/87/08/1235758708.db2.gz BGASKGQXHJISOT-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048533851 1237899184 /nfs/dbraw/zinc/89/91/84/1237899184.db2.gz LPGRHOTULWIMNN-GSEOLPGOSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001048533851 1237899186 /nfs/dbraw/zinc/89/91/86/1237899186.db2.gz LPGRHOTULWIMNN-GSEOLPGOSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001048533851 1237899193 /nfs/dbraw/zinc/89/91/93/1237899193.db2.gz LPGRHOTULWIMNN-GSEOLPGOSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048537521 1237907624 /nfs/dbraw/zinc/90/76/24/1237907624.db2.gz DQABKNBYZHTTEC-KNJMJIDISA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)C2 ZINC001048537521 1237907635 /nfs/dbraw/zinc/90/76/35/1237907635.db2.gz DQABKNBYZHTTEC-KNJMJIDISA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)C2 ZINC001048537521 1237907643 /nfs/dbraw/zinc/90/76/43/1237907643.db2.gz DQABKNBYZHTTEC-KNJMJIDISA-N 2 1 343.515 2.386 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048861321 1239063957 /nfs/dbraw/zinc/06/39/57/1239063957.db2.gz KTNSYVALXKTOTE-IXDOHACOSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861321 1239063973 /nfs/dbraw/zinc/06/39/73/1239063973.db2.gz KTNSYVALXKTOTE-IXDOHACOSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861321 1239063997 /nfs/dbraw/zinc/06/39/97/1239063997.db2.gz KTNSYVALXKTOTE-IXDOHACOSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC001000259325 1240108254 /nfs/dbraw/zinc/10/82/54/1240108254.db2.gz HAMHAIXOLCPASL-CZUORRHYSA-N 2 1 339.911 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC001000259325 1240108257 /nfs/dbraw/zinc/10/82/57/1240108257.db2.gz HAMHAIXOLCPASL-CZUORRHYSA-N 2 1 339.911 2.297 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049488053 1241105130 /nfs/dbraw/zinc/10/51/30/1241105130.db2.gz XMSTYPJOEWANID-OKZBNKHCSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049488053 1241105139 /nfs/dbraw/zinc/10/51/39/1241105139.db2.gz XMSTYPJOEWANID-OKZBNKHCSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049525456 1241248148 /nfs/dbraw/zinc/24/81/48/1241248148.db2.gz QPHGHBMSGOREIZ-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049525456 1241248156 /nfs/dbraw/zinc/24/81/56/1241248156.db2.gz QPHGHBMSGOREIZ-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049525456 1241248166 /nfs/dbraw/zinc/24/81/66/1241248166.db2.gz QPHGHBMSGOREIZ-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001142696 1241719461 /nfs/dbraw/zinc/71/94/61/1241719461.db2.gz AYVHIKXFVFCUHS-KRWDZBQOSA-N 2 1 328.460 2.078 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001142696 1241719464 /nfs/dbraw/zinc/71/94/64/1241719464.db2.gz AYVHIKXFVFCUHS-KRWDZBQOSA-N 2 1 328.460 2.078 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001049719267 1241984620 /nfs/dbraw/zinc/98/46/20/1241984620.db2.gz LKTACGPPIRCLNP-QXAKKESOSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001049719267 1241984631 /nfs/dbraw/zinc/98/46/31/1241984631.db2.gz LKTACGPPIRCLNP-QXAKKESOSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846544 1242402555 /nfs/dbraw/zinc/40/25/55/1242402555.db2.gz JPYSHPOGAZKDBP-ZWKOTPCHSA-N 2 1 328.460 2.403 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846544 1242402560 /nfs/dbraw/zinc/40/25/60/1242402560.db2.gz JPYSHPOGAZKDBP-ZWKOTPCHSA-N 2 1 328.460 2.403 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@H+](C)CC)CC1 ZINC001050255289 1243191812 /nfs/dbraw/zinc/19/18/12/1243191812.db2.gz YQSNXQXRFXPOLR-UHFFFAOYSA-N 2 1 327.472 2.100 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001050563312 1243851106 /nfs/dbraw/zinc/85/11/06/1243851106.db2.gz CBSONIJAEUHOAM-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053040415 1245745959 /nfs/dbraw/zinc/74/59/59/1245745959.db2.gz JOYWGAUNZBJZIO-VQTJNVASSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053052240 1245777636 /nfs/dbraw/zinc/77/76/36/1245777636.db2.gz STEBUPATQVTGBL-OALUTQOASA-N 2 1 343.515 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+](CC)C3)C2)CC1 ZINC001053054592 1245782001 /nfs/dbraw/zinc/78/20/01/1245782001.db2.gz OAZFIDKEDFIPAN-WOJBJXKFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053099719 1245904412 /nfs/dbraw/zinc/90/44/12/1245904412.db2.gz XZWILHVLTRCISB-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053099719 1245904414 /nfs/dbraw/zinc/90/44/14/1245904414.db2.gz XZWILHVLTRCISB-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053099719 1245904422 /nfs/dbraw/zinc/90/44/22/1245904422.db2.gz XZWILHVLTRCISB-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001101596156 1246004454 /nfs/dbraw/zinc/00/44/54/1246004454.db2.gz LJZUTLJWISZJGS-CALCHBBNSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)CO2 ZINC001053945715 1247048222 /nfs/dbraw/zinc/04/82/22/1247048222.db2.gz FDCGUOQNSQVUIW-ROUUACIJSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129433 1247471435 /nfs/dbraw/zinc/47/14/35/1247471435.db2.gz QSJHNYWYCLVMGL-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129433 1247471438 /nfs/dbraw/zinc/47/14/38/1247471438.db2.gz QSJHNYWYCLVMGL-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129433 1247471441 /nfs/dbraw/zinc/47/14/41/1247471441.db2.gz QSJHNYWYCLVMGL-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142515 1247509798 /nfs/dbraw/zinc/50/97/98/1247509798.db2.gz FBHBHXKDYKYJNA-AZUAARDMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142515 1247509804 /nfs/dbraw/zinc/50/98/04/1247509804.db2.gz FBHBHXKDYKYJNA-AZUAARDMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142515 1247509813 /nfs/dbraw/zinc/50/98/13/1247509813.db2.gz FBHBHXKDYKYJNA-AZUAARDMSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054147388 1247523857 /nfs/dbraw/zinc/52/38/57/1247523857.db2.gz PTPXJOCQLSEEFL-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054147388 1247523862 /nfs/dbraw/zinc/52/38/62/1247523862.db2.gz PTPXJOCQLSEEFL-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001054147388 1247523868 /nfs/dbraw/zinc/52/38/68/1247523868.db2.gz PTPXJOCQLSEEFL-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001054147388 1247523874 /nfs/dbraw/zinc/52/38/74/1247523874.db2.gz PTPXJOCQLSEEFL-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054198518 1247692077 /nfs/dbraw/zinc/69/20/77/1247692077.db2.gz YVMMWUUPATXLTK-CRAIPNDOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198518 1247692089 /nfs/dbraw/zinc/69/20/89/1247692089.db2.gz YVMMWUUPATXLTK-CRAIPNDOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198518 1247692100 /nfs/dbraw/zinc/69/21/00/1247692100.db2.gz YVMMWUUPATXLTK-CRAIPNDOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)cc2C1 ZINC001054281491 1247997925 /nfs/dbraw/zinc/99/79/25/1247997925.db2.gz MYSOFZDZMQOICH-DNVCBOLYSA-N 2 1 327.472 2.392 20 30 EEEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281491 1247997937 /nfs/dbraw/zinc/99/79/37/1247997937.db2.gz MYSOFZDZMQOICH-DNVCBOLYSA-N 2 1 327.472 2.392 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281491 1247997947 /nfs/dbraw/zinc/99/79/47/1247997947.db2.gz MYSOFZDZMQOICH-DNVCBOLYSA-N 2 1 327.472 2.392 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098459220 1257696811 /nfs/dbraw/zinc/69/68/11/1257696811.db2.gz CGLTWNAFAUCMAQ-QRVBRYPASA-N 2 1 325.456 2.107 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099251176 1258037713 /nfs/dbraw/zinc/03/77/13/1258037713.db2.gz HCDYURYVSGAWTD-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099251176 1258037716 /nfs/dbraw/zinc/03/77/16/1258037716.db2.gz HCDYURYVSGAWTD-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)COCC[NH+](C)C ZINC001099310537 1258072442 /nfs/dbraw/zinc/07/24/42/1258072442.db2.gz PAMGBKLPUAKWTE-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191030890 1281184836 /nfs/dbraw/zinc/18/48/36/1281184836.db2.gz XGMMDXBEJJNAOE-INIZCTEOSA-N 2 1 336.867 2.193 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191030890 1281184840 /nfs/dbraw/zinc/18/48/40/1281184840.db2.gz XGMMDXBEJJNAOE-INIZCTEOSA-N 2 1 336.867 2.193 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001192038117 1281773491 /nfs/dbraw/zinc/77/34/91/1281773491.db2.gz NSOUHJGJLNVFIK-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001192038117 1281773500 /nfs/dbraw/zinc/77/35/00/1281773500.db2.gz NSOUHJGJLNVFIK-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001192960562 1282248486 /nfs/dbraw/zinc/24/84/86/1282248486.db2.gz RFRREEAFPIEZNN-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001192960562 1282248497 /nfs/dbraw/zinc/24/84/97/1282248497.db2.gz RFRREEAFPIEZNN-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193100400 1282320451 /nfs/dbraw/zinc/32/04/51/1282320451.db2.gz VGAFMTDXSWNIDM-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193100400 1282320461 /nfs/dbraw/zinc/32/04/61/1282320461.db2.gz VGAFMTDXSWNIDM-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCCCF)CC2)CC1 ZINC001198236638 1285048689 /nfs/dbraw/zinc/04/86/89/1285048689.db2.gz QLTNEJGCKLPHTD-UHFFFAOYSA-N 2 1 337.483 2.006 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218100786 1297569547 /nfs/dbraw/zinc/56/95/47/1297569547.db2.gz BYXGVBWKMHUZGM-CEXWTWQISA-N 2 1 349.519 2.127 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001218100786 1297569557 /nfs/dbraw/zinc/56/95/57/1297569557.db2.gz BYXGVBWKMHUZGM-CEXWTWQISA-N 2 1 349.519 2.127 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001218100786 1297569565 /nfs/dbraw/zinc/56/95/65/1297569565.db2.gz BYXGVBWKMHUZGM-CEXWTWQISA-N 2 1 349.519 2.127 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568672 1298455755 /nfs/dbraw/zinc/45/57/55/1298455755.db2.gz YOPKZOYGWBGWSE-KSZLIROESA-N 2 1 339.524 2.015 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC/C=C/CCC)C[C@H]21 ZINC001221626158 1298966348 /nfs/dbraw/zinc/96/63/48/1298966348.db2.gz SWYHYVVXDSPHKM-VMASUYHGSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC/C=C/CCC)C[C@H]21 ZINC001221626158 1298966351 /nfs/dbraw/zinc/96/63/51/1298966351.db2.gz SWYHYVVXDSPHKM-VMASUYHGSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC/C=C/CCC)C[C@H]21 ZINC001221626158 1298966352 /nfs/dbraw/zinc/96/63/52/1298966352.db2.gz SWYHYVVXDSPHKM-VMASUYHGSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC/C=C/CCC)C[C@H]21 ZINC001221626158 1298966357 /nfs/dbraw/zinc/96/63/57/1298966357.db2.gz SWYHYVVXDSPHKM-VMASUYHGSA-N 2 1 343.515 2.363 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873320 1299151154 /nfs/dbraw/zinc/15/11/54/1299151154.db2.gz XBCRLLLFZCHCPP-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873320 1299151167 /nfs/dbraw/zinc/15/11/67/1299151167.db2.gz XBCRLLLFZCHCPP-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099522214 1299183827 /nfs/dbraw/zinc/18/38/27/1299183827.db2.gz VJUKTGQQGMXANE-RDGPPVDQSA-N 2 1 345.531 2.463 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3ccnc3)C[C@@H]21 ZINC001222936774 1299925622 /nfs/dbraw/zinc/92/56/22/1299925622.db2.gz PEZDHUGKOGKZKO-QYZOEREBSA-N 2 1 342.487 2.416 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001230284407 1303141102 /nfs/dbraw/zinc/14/11/02/1303141102.db2.gz CUNHEFMJKIWEBZ-RTBURBONSA-N 2 1 342.487 2.415 20 30 EEEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001230316105 1303155810 /nfs/dbraw/zinc/15/58/10/1303155810.db2.gz UQDAMOXFMQMIQR-SFHVURJKSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001230316105 1303155813 /nfs/dbraw/zinc/15/58/13/1303155813.db2.gz UQDAMOXFMQMIQR-SFHVURJKSA-N 2 1 339.524 2.258 20 30 EEEDMP C#CCC[N@H+](CCCNC(=O)CCCC[NH+](C)C)Cc1cccnc1 ZINC001230905490 1303538898 /nfs/dbraw/zinc/53/88/98/1303538898.db2.gz GOJVXKHBBQHOQE-UHFFFAOYSA-N 2 1 344.503 2.145 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001104213755 1303652669 /nfs/dbraw/zinc/65/26/69/1303652669.db2.gz OUBSWHMKFGGFJG-FGTMMUONSA-N 2 1 344.503 2.494 20 30 EEEDMP C=CCCC[N@H+]1CCc2c([nH]nc2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001277779654 1304397802 /nfs/dbraw/zinc/39/78/02/1304397802.db2.gz NEYJIDGYQVFZHJ-UHFFFAOYSA-N 2 1 347.507 2.148 20 30 EEEDMP C=CCCC[N@@H+]1CCc2c([nH]nc2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001277779654 1304397810 /nfs/dbraw/zinc/39/78/10/1304397810.db2.gz NEYJIDGYQVFZHJ-UHFFFAOYSA-N 2 1 347.507 2.148 20 30 EEEDMP C=CCCCC[N@@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235274840 1305173488 /nfs/dbraw/zinc/17/34/88/1305173488.db2.gz PPCVQYIUIZZBFH-GJZGRUSLSA-N 2 1 334.382 2.360 20 30 EEEDMP C=CCCCC[N@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235274840 1305173489 /nfs/dbraw/zinc/17/34/89/1305173489.db2.gz PPCVQYIUIZZBFH-GJZGRUSLSA-N 2 1 334.382 2.360 20 30 EEEDMP C=CCOCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001235336949 1305195507 /nfs/dbraw/zinc/19/55/07/1305195507.db2.gz RAZFTOWQRUTQOM-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001235336949 1305195510 /nfs/dbraw/zinc/19/55/10/1305195510.db2.gz RAZFTOWQRUTQOM-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001235336949 1305195515 /nfs/dbraw/zinc/19/55/15/1305195515.db2.gz RAZFTOWQRUTQOM-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001235336949 1305195520 /nfs/dbraw/zinc/19/55/20/1305195520.db2.gz RAZFTOWQRUTQOM-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001235336949 1305195522 /nfs/dbraw/zinc/19/55/22/1305195522.db2.gz RAZFTOWQRUTQOM-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)cc1 ZINC001235353182 1305203406 /nfs/dbraw/zinc/20/34/06/1305203406.db2.gz WBTYSQHXPDYAHL-ICSRJNTNSA-N 2 1 326.440 2.033 20 30 EEEDMP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001121682218 1310102688 /nfs/dbraw/zinc/10/26/88/1310102688.db2.gz NVJGTQDFQSFBHR-DLBZAZTESA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001121682218 1310102697 /nfs/dbraw/zinc/10/26/97/1310102697.db2.gz NVJGTQDFQSFBHR-DLBZAZTESA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001121682218 1310102706 /nfs/dbraw/zinc/10/27/06/1310102706.db2.gz NVJGTQDFQSFBHR-DLBZAZTESA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001121682218 1310102715 /nfs/dbraw/zinc/10/27/15/1310102715.db2.gz NVJGTQDFQSFBHR-DLBZAZTESA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001246302941 1310276934 /nfs/dbraw/zinc/27/69/34/1310276934.db2.gz FWZDRCSFFRVTRD-QAPCUYQASA-N 2 1 334.435 2.499 20 30 EEEDMP CCCCCCC[C@H](CC)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923598 1310467241 /nfs/dbraw/zinc/46/72/41/1310467241.db2.gz CQZVALQXTAKAJW-KRWDZBQOSA-N 3 1 328.545 2.241 20 30 EEEDMP CCCCCCC[C@H](CC)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923598 1310467244 /nfs/dbraw/zinc/46/72/44/1310467244.db2.gz CQZVALQXTAKAJW-KRWDZBQOSA-N 2 1 328.545 2.241 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001150333357 1316236973 /nfs/dbraw/zinc/23/69/73/1316236973.db2.gz MFHVRECODGJXSN-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150333357 1316236975 /nfs/dbraw/zinc/23/69/75/1316236975.db2.gz MFHVRECODGJXSN-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150333357 1316236979 /nfs/dbraw/zinc/23/69/79/1316236979.db2.gz MFHVRECODGJXSN-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001151402492 1316520832 /nfs/dbraw/zinc/52/08/32/1316520832.db2.gz IFXQRSFSTZTGCP-UHFFFAOYSA-N 2 1 339.524 2.282 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034176 1316941139 /nfs/dbraw/zinc/94/11/39/1316941139.db2.gz UVJJGNJRIOXRDO-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154034176 1316941141 /nfs/dbraw/zinc/94/11/41/1316941141.db2.gz UVJJGNJRIOXRDO-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154034176 1316941143 /nfs/dbraw/zinc/94/11/43/1316941143.db2.gz UVJJGNJRIOXRDO-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904799 1317377319 /nfs/dbraw/zinc/37/73/19/1317377319.db2.gz ZUOCSHLEDLWQAO-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023796 1317423540 /nfs/dbraw/zinc/42/35/40/1317423540.db2.gz LBSSUFLYGZXCPT-MRXNPFEDSA-N 2 1 349.906 2.470 20 30 EEEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001253243797 1317806622 /nfs/dbraw/zinc/80/66/22/1317806622.db2.gz ZQMRCHQOWYWYDO-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001253243797 1317806635 /nfs/dbraw/zinc/80/66/35/1317806635.db2.gz ZQMRCHQOWYWYDO-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP CC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927211 1318294958 /nfs/dbraw/zinc/29/49/58/1318294958.db2.gz GXDKMFUJLIJKHW-OAHLLOKOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927211 1318294965 /nfs/dbraw/zinc/29/49/65/1318294965.db2.gz GXDKMFUJLIJKHW-OAHLLOKOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001157887239 1318918208 /nfs/dbraw/zinc/91/82/08/1318918208.db2.gz SQJRRTUEIQZTAG-IBGZPJMESA-N 2 1 327.472 2.007 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC001158030576 1318978238 /nfs/dbraw/zinc/97/82/38/1318978238.db2.gz UTTNBCCKKLMEJG-RTBURBONSA-N 2 1 340.471 2.029 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001158680392 1319373902 /nfs/dbraw/zinc/37/39/02/1319373902.db2.gz RMLAFHFMVHCICS-LJQANCHMSA-N 2 1 333.520 2.443 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001159327463 1319740737 /nfs/dbraw/zinc/74/07/37/1319740737.db2.gz LFARYYRLXDLTAX-SFHVURJKSA-N 2 1 346.450 2.168 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001159909774 1320017761 /nfs/dbraw/zinc/01/77/61/1320017761.db2.gz NFIVAUQBVVBPRH-IBGZPJMESA-N 2 1 342.487 2.417 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001160209865 1320100138 /nfs/dbraw/zinc/10/01/38/1320100138.db2.gz ZNFBMCPUPVSZCQ-HOTGVXAUSA-N 2 1 341.446 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001160209865 1320100141 /nfs/dbraw/zinc/10/01/41/1320100141.db2.gz ZNFBMCPUPVSZCQ-HOTGVXAUSA-N 2 1 341.446 2.005 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001161649324 1320570428 /nfs/dbraw/zinc/57/04/28/1320570428.db2.gz CKVWJAJYIBQLHY-QGZVFWFLSA-N 2 1 348.516 2.336 20 30 EEEDMP N#Cc1c(NCC[C@@H]2CC[NH2+]CC2(F)F)ncc2c1CCC[NH2+]C2 ZINC001162808987 1320964487 /nfs/dbraw/zinc/96/44/87/1320964487.db2.gz ZYZBABFKCHRZCG-ZDUSSCGKSA-N 2 1 335.402 2.036 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001165545167 1321543389 /nfs/dbraw/zinc/54/33/89/1321543389.db2.gz FAZLNJGUHYMNSW-KRWDZBQOSA-N 2 1 333.520 2.396 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001165545167 1321543391 /nfs/dbraw/zinc/54/33/91/1321543391.db2.gz FAZLNJGUHYMNSW-KRWDZBQOSA-N 2 1 333.520 2.396 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001276436496 1322021551 /nfs/dbraw/zinc/02/15/51/1322021551.db2.gz QQXHDFGEHHOFKQ-ROUUACIJSA-N 2 1 332.879 2.422 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001205457477 1323143491 /nfs/dbraw/zinc/14/34/91/1323143491.db2.gz AJHHMELMRYYLQH-IBGZPJMESA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205685736 1323244874 /nfs/dbraw/zinc/24/48/74/1323244874.db2.gz GNHCDTZUVKSGGC-PKOBYXMFSA-N 2 1 345.462 2.073 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001208453788 1324506301 /nfs/dbraw/zinc/50/63/01/1324506301.db2.gz OBTALNYCZYROMY-IBGZPJMESA-N 2 1 341.499 2.349 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC#Cc2ccccc2)CC1 ZINC001319118072 1332652091 /nfs/dbraw/zinc/65/20/91/1332652091.db2.gz RNEKQLJXVVDOAX-UHFFFAOYSA-N 2 1 334.423 2.214 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC001335396996 1336370755 /nfs/dbraw/zinc/37/07/55/1336370755.db2.gz BFHFLXFTLOEWAY-LJQANCHMSA-N 2 1 330.472 2.120 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001186609683 1368205522 /nfs/dbraw/zinc/20/55/22/1368205522.db2.gz XMRLNOLIYAMPNL-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC=C(C)C)C2)CC1 ZINC001072096339 1370605396 /nfs/dbraw/zinc/60/53/96/1370605396.db2.gz XTFUEZTUQOWHOW-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC3CCC3)C2)CC1 ZINC001072096208 1370605504 /nfs/dbraw/zinc/60/55/04/1370605504.db2.gz VLGOWORLMKQSKH-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(CN(C)C)on2)C1 ZINC001098913527 1370992772 /nfs/dbraw/zinc/99/27/72/1370992772.db2.gz CYGOZFVIPUIZTF-KXBFYZLASA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098913527 1370992773 /nfs/dbraw/zinc/99/27/73/1370992773.db2.gz CYGOZFVIPUIZTF-KXBFYZLASA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098913527 1370992777 /nfs/dbraw/zinc/99/27/77/1370992777.db2.gz CYGOZFVIPUIZTF-KXBFYZLASA-N 2 1 346.475 2.287 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001365946504 1373780899 /nfs/dbraw/zinc/78/08/99/1373780899.db2.gz SSCGAWYYDHTCOM-RBUKOAKNSA-N 2 1 342.487 2.225 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001365946504 1373780906 /nfs/dbraw/zinc/78/09/06/1373780906.db2.gz SSCGAWYYDHTCOM-RBUKOAKNSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001369580759 1374578771 /nfs/dbraw/zinc/57/87/71/1374578771.db2.gz YSRNPNFRIZLLBK-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001370783996 1375033538 /nfs/dbraw/zinc/03/35/38/1375033538.db2.gz ZDJRAYFDOXAXIO-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001372651090 1376113246 /nfs/dbraw/zinc/11/32/46/1376113246.db2.gz NLEOBRADLNEPEE-RTBURBONSA-N 2 1 342.487 2.083 20 30 EEEDMP C[C@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)CC1CC[NH+](C)CC1 ZINC001375113828 1377381689 /nfs/dbraw/zinc/38/16/89/1377381689.db2.gz NRMBDFJQOJJFAX-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)CC1CC[NH+](C)CC1 ZINC001375113828 1377381691 /nfs/dbraw/zinc/38/16/91/1377381691.db2.gz NRMBDFJQOJJFAX-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1C#N ZINC001377395350 1379202407 /nfs/dbraw/zinc/20/24/07/1379202407.db2.gz RZZOOUWBWCXIIZ-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001752799990 1406419745 /nfs/dbraw/zinc/41/97/45/1406419745.db2.gz OHHUDNYHTBJQAZ-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001752799990 1406419754 /nfs/dbraw/zinc/41/97/54/1406419754.db2.gz OHHUDNYHTBJQAZ-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001397123536 1391094284 /nfs/dbraw/zinc/09/42/84/1391094284.db2.gz SGBJQGNGQKFTLI-HDJSIYSDSA-N 2 1 346.500 2.088 20 30 EEEDMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001403187502 1398466226 /nfs/dbraw/zinc/46/62/26/1398466226.db2.gz HWTYHKXEKQIJJN-INIZCTEOSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001423663361 1400728073 /nfs/dbraw/zinc/72/80/73/1400728073.db2.gz WWUMKQVSYRUXBD-HXUWFJFHSA-N 2 1 342.487 2.228 20 30 EEEDMP C#CC[C@]1(C(=O)N2CC[NH+]([C@H](CC)c3ccccc3)CC2)CCC[NH2+]1 ZINC001574515898 1403521303 /nfs/dbraw/zinc/52/13/03/1403521303.db2.gz AVUMSFYNKAWBAI-TZIWHRDSSA-N 2 1 339.483 2.427 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC001574673150 1403524818 /nfs/dbraw/zinc/52/48/18/1403524818.db2.gz HZRSKWVMQAWYKD-LJQANCHMSA-N 2 1 339.483 2.056 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC001574673150 1403524823 /nfs/dbraw/zinc/52/48/23/1403524823.db2.gz HZRSKWVMQAWYKD-LJQANCHMSA-N 2 1 339.483 2.056 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001751991570 1406168231 /nfs/dbraw/zinc/16/82/31/1406168231.db2.gz JJPVHUOYEXBIMR-APWZRJJASA-N 2 1 345.462 2.422 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001751991570 1406168236 /nfs/dbraw/zinc/16/82/36/1406168236.db2.gz JJPVHUOYEXBIMR-APWZRJJASA-N 2 1 345.462 2.422 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001751991570 1406168248 /nfs/dbraw/zinc/16/82/48/1406168248.db2.gz JJPVHUOYEXBIMR-APWZRJJASA-N 2 1 345.462 2.422 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001751991570 1406168256 /nfs/dbraw/zinc/16/82/56/1406168256.db2.gz JJPVHUOYEXBIMR-APWZRJJASA-N 2 1 345.462 2.422 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001100071974 1410518875 /nfs/dbraw/zinc/51/88/75/1410518875.db2.gz MYFXDNSEELVGOE-ROUUACIJSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167095783 757282388 /nfs/dbraw/zinc/28/23/88/757282388.db2.gz KNFPPMLRWKLPEU-MOPGFXCFSA-N 2 1 329.488 2.394 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001111753981 757450651 /nfs/dbraw/zinc/45/06/51/757450651.db2.gz GPEBRQDFZGVSQB-BXWFABGCSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001111753981 757450661 /nfs/dbraw/zinc/45/06/61/757450661.db2.gz GPEBRQDFZGVSQB-BXWFABGCSA-N 2 1 328.460 2.001 20 30 EEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001167232606 757536906 /nfs/dbraw/zinc/53/69/06/757536906.db2.gz JTHGUAWYTNGEBB-UHFFFAOYSA-N 2 1 346.475 2.336 20 30 EEEDMP C=CCC[NH2+]CC1(CCNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001167232908 757537172 /nfs/dbraw/zinc/53/71/72/757537172.db2.gz UKMSKFWGBXRGBN-UHFFFAOYSA-N 2 1 346.475 2.336 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001087314489 761596196 /nfs/dbraw/zinc/59/61/96/761596196.db2.gz LUWUOKXTFSZXQW-IXDOHACOSA-N 2 1 331.504 2.264 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948449332 782578362 /nfs/dbraw/zinc/57/83/62/782578362.db2.gz QLJTVXHVKVKZGX-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948449332 782578374 /nfs/dbraw/zinc/57/83/74/782578374.db2.gz QLJTVXHVKVKZGX-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948449332 782578386 /nfs/dbraw/zinc/57/83/86/782578386.db2.gz QLJTVXHVKVKZGX-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948449332 782578394 /nfs/dbraw/zinc/57/83/94/782578394.db2.gz QLJTVXHVKVKZGX-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427905 769071924 /nfs/dbraw/zinc/07/19/24/769071924.db2.gz SVROLUKIOANZNO-ZWKOTPCHSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427905 769071932 /nfs/dbraw/zinc/07/19/32/769071932.db2.gz SVROLUKIOANZNO-ZWKOTPCHSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427905 769071945 /nfs/dbraw/zinc/07/19/45/769071945.db2.gz SVROLUKIOANZNO-ZWKOTPCHSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089510113 770042769 /nfs/dbraw/zinc/04/27/69/770042769.db2.gz MTIDFZQQNOARBG-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)[C@H](C)C2)CC1 ZINC000948069221 770965065 /nfs/dbraw/zinc/96/50/65/770965065.db2.gz DMINGSABINYWAF-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001088084834 782883504 /nfs/dbraw/zinc/88/35/04/782883504.db2.gz HISVUSOLKQEHAT-SQNIBIBYSA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001088084834 782883510 /nfs/dbraw/zinc/88/35/10/782883510.db2.gz HISVUSOLKQEHAT-SQNIBIBYSA-N 2 1 342.487 2.110 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000948473357 782893224 /nfs/dbraw/zinc/89/32/24/782893224.db2.gz DVPRJDSQCNSVPP-KRWDZBQOSA-N 2 1 330.476 2.263 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473427 782894473 /nfs/dbraw/zinc/89/44/73/782894473.db2.gz GXMYEAWGKACFTL-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+]1CCCCC1)C[C@@H](C)O2 ZINC001131696864 783094736 /nfs/dbraw/zinc/09/47/36/783094736.db2.gz BZSWMGQYXLWTHG-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCCCC3)C2)CC1 ZINC000980477499 774701919 /nfs/dbraw/zinc/70/19/19/774701919.db2.gz HCTUILAZSGDSFQ-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001171247206 790459167 /nfs/dbraw/zinc/45/91/67/790459167.db2.gz JQZKVYOSNUYGGY-QZTJIDSGSA-N 2 1 349.523 2.044 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC000997624137 790468055 /nfs/dbraw/zinc/46/80/55/790468055.db2.gz LNIGYSWEFIKMBA-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC000997624137 790468061 /nfs/dbraw/zinc/46/80/61/790468061.db2.gz LNIGYSWEFIKMBA-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)CC[NH+]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000981211487 776826557 /nfs/dbraw/zinc/82/65/57/776826557.db2.gz XCFMHQIODMJTNQ-GOSISDBHSA-N 2 1 345.491 2.291 20 30 EEEDMP C=C(C)CC[NH+]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000981211487 776826568 /nfs/dbraw/zinc/82/65/68/776826568.db2.gz XCFMHQIODMJTNQ-GOSISDBHSA-N 2 1 345.491 2.291 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000981211487 776826575 /nfs/dbraw/zinc/82/65/75/776826575.db2.gz XCFMHQIODMJTNQ-GOSISDBHSA-N 2 1 345.491 2.291 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000981211487 776826583 /nfs/dbraw/zinc/82/65/83/776826583.db2.gz XCFMHQIODMJTNQ-GOSISDBHSA-N 2 1 345.491 2.291 20 30 EEEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839008 777493434 /nfs/dbraw/zinc/49/34/34/777493434.db2.gz ODKHQMOHBJCDFV-OBZTUIKSSA-N 2 1 348.450 2.140 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1CCC)CCO2 ZINC000949108613 778505693 /nfs/dbraw/zinc/50/56/93/778505693.db2.gz QVUFPNGLSMYTMK-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211702891 778657091 /nfs/dbraw/zinc/65/70/91/778657091.db2.gz JOIIZSMYANCYKJ-RBUKOAKNSA-N 2 1 329.488 2.489 20 30 EEEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000981959110 778666374 /nfs/dbraw/zinc/66/63/74/778666374.db2.gz ZBTURRBCCSJQMD-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC000981959110 778666379 /nfs/dbraw/zinc/66/63/79/778666379.db2.gz ZBTURRBCCSJQMD-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC000981959110 778666382 /nfs/dbraw/zinc/66/63/82/778666382.db2.gz ZBTURRBCCSJQMD-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@]2(C)C1 ZINC000982485332 780759067 /nfs/dbraw/zinc/75/90/67/780759067.db2.gz GXLAXSIWWQHURR-AHRSYUTCSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@]2(C)C1 ZINC000982485332 780759070 /nfs/dbraw/zinc/75/90/70/780759070.db2.gz GXLAXSIWWQHURR-AHRSYUTCSA-N 2 1 342.487 2.110 20 30 EEEDMP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481743 783836987 /nfs/dbraw/zinc/83/69/87/783836987.db2.gz WQTCQIFIJUNWJA-ROUUACIJSA-N 2 1 329.488 2.057 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001108164035 783865433 /nfs/dbraw/zinc/86/54/33/783865433.db2.gz SMJZWCDPRLFREH-IBGZPJMESA-N 2 1 349.475 2.128 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035192279 784078983 /nfs/dbraw/zinc/07/89/83/784078983.db2.gz XHZMEJBIHWMEJR-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035192279 784078987 /nfs/dbraw/zinc/07/89/87/784078987.db2.gz XHZMEJBIHWMEJR-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035192279 784078995 /nfs/dbraw/zinc/07/89/95/784078995.db2.gz XHZMEJBIHWMEJR-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035239726 784162789 /nfs/dbraw/zinc/16/27/89/784162789.db2.gz YXKRRYUWMGFRGR-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135980182 784906358 /nfs/dbraw/zinc/90/63/58/784906358.db2.gz MDTUYQXFSJTXPV-HUUCEWRRSA-N 2 1 348.466 2.412 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1(C)C ZINC000995850976 785766847 /nfs/dbraw/zinc/76/68/47/785766847.db2.gz WQUXALACCYDTJK-IAGOWNOFSA-N 2 1 345.491 2.193 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1(C)C ZINC000995850976 785766851 /nfs/dbraw/zinc/76/68/51/785766851.db2.gz WQUXALACCYDTJK-IAGOWNOFSA-N 2 1 345.491 2.193 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001086838944 786492793 /nfs/dbraw/zinc/49/27/93/786492793.db2.gz CPKSOBWVSJBADV-DOTOQJQBSA-N 2 1 339.443 2.332 20 30 EEEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005874078 788611297 /nfs/dbraw/zinc/61/12/97/788611297.db2.gz VJRYDQPBSLSNHH-LJQANCHMSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997133322 789057232 /nfs/dbraw/zinc/05/72/32/789057232.db2.gz XHGWHOGNBBWPBN-NVXWUHKLSA-N 2 1 328.460 2.001 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946905021 789623396 /nfs/dbraw/zinc/62/33/96/789623396.db2.gz YPEGSLVNZJCPHD-OTWHNJEPSA-N 2 1 333.520 2.463 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146590854 791360609 /nfs/dbraw/zinc/36/06/09/791360609.db2.gz CEMPJLRIXGALOY-JKSUJKDBSA-N 2 1 330.476 2.271 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998029595 791855842 /nfs/dbraw/zinc/85/58/42/791855842.db2.gz GMBVRJFRFHOGQB-ZWKOTPCHSA-N 2 1 342.487 2.487 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998029595 791855846 /nfs/dbraw/zinc/85/58/46/791855846.db2.gz GMBVRJFRFHOGQB-ZWKOTPCHSA-N 2 1 342.487 2.487 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000998171954 792125680 /nfs/dbraw/zinc/12/56/80/792125680.db2.gz SKNVSFLNAKCZDK-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CCF)CC2)CC1 ZINC000998195845 792200418 /nfs/dbraw/zinc/20/04/18/792200418.db2.gz HVHKLXJVRNJMCV-GOSISDBHSA-N 2 1 337.483 2.004 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941641 793032795 /nfs/dbraw/zinc/03/27/95/793032795.db2.gz ZLRJHTCCQCMSJD-GOSISDBHSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992254409 793417147 /nfs/dbraw/zinc/41/71/47/793417147.db2.gz BARFMROYQQZKIX-VQIMIIECSA-N 2 1 328.460 2.143 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992254409 793417150 /nfs/dbraw/zinc/41/71/50/793417150.db2.gz BARFMROYQQZKIX-VQIMIIECSA-N 2 1 328.460 2.143 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091985400 793467199 /nfs/dbraw/zinc/46/71/99/793467199.db2.gz PSBXDUQHRYXRPH-INMHGKMJSA-N 2 1 327.900 2.105 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091985400 793467206 /nfs/dbraw/zinc/46/72/06/793467206.db2.gz PSBXDUQHRYXRPH-INMHGKMJSA-N 2 1 327.900 2.105 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092298000 793774547 /nfs/dbraw/zinc/77/45/47/793774547.db2.gz JFBXXVPABCSSHC-CTNGQTDRSA-N 2 1 339.483 2.165 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC2(CCOCC2)C1 ZINC001089941976 794270855 /nfs/dbraw/zinc/27/08/55/794270855.db2.gz NMPDZKGPHSZGQN-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC2(CCOCC2)C1 ZINC001089941976 794270862 /nfs/dbraw/zinc/27/08/62/794270862.db2.gz NMPDZKGPHSZGQN-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC2(CCOCC2)C1 ZINC001089941976 794270868 /nfs/dbraw/zinc/27/08/68/794270868.db2.gz NMPDZKGPHSZGQN-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198792 794446043 /nfs/dbraw/zinc/44/60/43/794446043.db2.gz RPOGKTVAKCYVAZ-AYOQOUSVSA-N 2 1 345.462 2.238 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999506878 794558587 /nfs/dbraw/zinc/55/85/87/794558587.db2.gz CFEKXEUIDTWVEG-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036748223 794762513 /nfs/dbraw/zinc/76/25/13/794762513.db2.gz ZMFMOKXQPBNPHR-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001106156887 795131834 /nfs/dbraw/zinc/13/18/34/795131834.db2.gz UZRVMBMHWGVWHU-RKVPGOIHSA-N 2 1 345.491 2.050 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001106156887 795131841 /nfs/dbraw/zinc/13/18/41/795131841.db2.gz UZRVMBMHWGVWHU-RKVPGOIHSA-N 2 1 345.491 2.050 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094447443 796254775 /nfs/dbraw/zinc/25/47/75/796254775.db2.gz TUKLUATUDDSJRD-SOAMZJECSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094447443 796254781 /nfs/dbraw/zinc/25/47/81/796254781.db2.gz TUKLUATUDDSJRD-SOAMZJECSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094447443 796254786 /nfs/dbraw/zinc/25/47/86/796254786.db2.gz TUKLUATUDDSJRD-SOAMZJECSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094447443 796254789 /nfs/dbraw/zinc/25/47/89/796254789.db2.gz TUKLUATUDDSJRD-SOAMZJECSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094551963 796426920 /nfs/dbraw/zinc/42/69/20/796426920.db2.gz RYIWXNVTOWPMPB-TZIWHRDSSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994118234 797300958 /nfs/dbraw/zinc/30/09/58/797300958.db2.gz VFKWLKQBNHZGME-CRAIPNDOSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994118234 797300964 /nfs/dbraw/zinc/30/09/64/797300964.db2.gz VFKWLKQBNHZGME-CRAIPNDOSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994119523 797301548 /nfs/dbraw/zinc/30/15/48/797301548.db2.gz XCCCNULHKQELGW-MAUKXSAKSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994119523 797301553 /nfs/dbraw/zinc/30/15/53/797301553.db2.gz XCCCNULHKQELGW-MAUKXSAKSA-N 2 1 339.443 2.426 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+]([C@@H](C)c3ccccc3C)C2)CC1 ZINC001031436441 798397394 /nfs/dbraw/zinc/39/73/94/798397394.db2.gz HNRNUSJNQNXJHW-KRWDZBQOSA-N 2 1 339.483 2.202 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032159 798621820 /nfs/dbraw/zinc/62/18/20/798621820.db2.gz SMHREISFDUPTOC-OAGGEKHMSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032159 798621823 /nfs/dbraw/zinc/62/18/23/798621823.db2.gz SMHREISFDUPTOC-OAGGEKHMSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032159 798621825 /nfs/dbraw/zinc/62/18/25/798621825.db2.gz SMHREISFDUPTOC-OAGGEKHMSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032159 798621829 /nfs/dbraw/zinc/62/18/29/798621829.db2.gz SMHREISFDUPTOC-OAGGEKHMSA-N 2 1 325.884 2.146 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001177415880 798933780 /nfs/dbraw/zinc/93/37/80/798933780.db2.gz MRHXHRHELOETLP-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001178693242 799588796 /nfs/dbraw/zinc/58/87/96/799588796.db2.gz MLJVRQFZNSPHCI-GOSISDBHSA-N 2 1 349.523 2.046 20 30 EEEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707965 799599306 /nfs/dbraw/zinc/59/93/06/799599306.db2.gz PVWARWXRKSANSI-LNLFQRSKSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CC[NH2+]CCCCCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001179589760 799996162 /nfs/dbraw/zinc/99/61/62/799996162.db2.gz AMFCZCYZWSOMLG-UHFFFAOYSA-N 2 1 334.464 2.336 20 30 EEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179591292 799998035 /nfs/dbraw/zinc/99/80/35/799998035.db2.gz STIOOKLRFZLFAP-LJQANCHMSA-N 2 1 339.499 2.488 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004440266 802049234 /nfs/dbraw/zinc/04/92/34/802049234.db2.gz YODJXGDTWHZKDI-WOJBJXKFSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001004474528 802166374 /nfs/dbraw/zinc/16/63/74/802166374.db2.gz PEODFRUSSCJBLG-SFHVURJKSA-N 2 1 346.475 2.239 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001004474528 802166382 /nfs/dbraw/zinc/16/63/82/802166382.db2.gz PEODFRUSSCJBLG-SFHVURJKSA-N 2 1 346.475 2.239 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623740 802291088 /nfs/dbraw/zinc/29/10/88/802291088.db2.gz PBRLWVYXLZDYQM-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623740 802291099 /nfs/dbraw/zinc/29/10/99/802291099.db2.gz PBRLWVYXLZDYQM-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623740 802291104 /nfs/dbraw/zinc/29/11/04/802291104.db2.gz PBRLWVYXLZDYQM-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185308470 802453890 /nfs/dbraw/zinc/45/38/90/802453890.db2.gz WLDWXWGGXMJVKQ-SJLPKXTDSA-N 2 1 330.476 2.069 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728554 802913072 /nfs/dbraw/zinc/91/30/72/802913072.db2.gz GOIPBLLWSJYNDR-HSALFYBXSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728554 802913080 /nfs/dbraw/zinc/91/30/80/802913080.db2.gz GOIPBLLWSJYNDR-HSALFYBXSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728554 802913087 /nfs/dbraw/zinc/91/30/87/802913087.db2.gz GOIPBLLWSJYNDR-HSALFYBXSA-N 2 1 345.531 2.302 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033197535 803044004 /nfs/dbraw/zinc/04/40/04/803044004.db2.gz IEJBGLJLBJBAAC-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033197535 803044011 /nfs/dbraw/zinc/04/40/11/803044011.db2.gz IEJBGLJLBJBAAC-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033197535 803044018 /nfs/dbraw/zinc/04/40/18/803044018.db2.gz IEJBGLJLBJBAAC-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946758800 803193514 /nfs/dbraw/zinc/19/35/14/803193514.db2.gz VEURWWFUKCITFS-CALCHBBNSA-N 2 1 339.911 2.251 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001113459902 809019452 /nfs/dbraw/zinc/01/94/52/809019452.db2.gz KOIMHALEAWHHCW-MRXNPFEDSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086595477 809094925 /nfs/dbraw/zinc/09/49/25/809094925.db2.gz DCTIQFRPUFGZCL-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086595477 809094933 /nfs/dbraw/zinc/09/49/33/809094933.db2.gz DCTIQFRPUFGZCL-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001086595477 809094939 /nfs/dbraw/zinc/09/49/39/809094939.db2.gz DCTIQFRPUFGZCL-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001086595477 809094943 /nfs/dbraw/zinc/09/49/43/809094943.db2.gz DCTIQFRPUFGZCL-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304689 810819008 /nfs/dbraw/zinc/81/90/08/810819008.db2.gz WTSBAVHDYVIALC-JEWRLFTDSA-N 2 1 330.476 2.409 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304689 810819010 /nfs/dbraw/zinc/81/90/10/810819010.db2.gz WTSBAVHDYVIALC-JEWRLFTDSA-N 2 1 330.476 2.409 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086659212 812430569 /nfs/dbraw/zinc/43/05/69/812430569.db2.gz NXBDWRJBTBBJRN-IPMKNSEASA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001437022435 1088815052 /nfs/dbraw/zinc/81/50/52/1088815052.db2.gz QDGAASLNTNJBOW-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]Cc1cccc(C#N)c1 ZINC001438527973 1091020200 /nfs/dbraw/zinc/02/02/00/1091020200.db2.gz GOWWJFOPXMAFMA-MRXNPFEDSA-N 2 1 344.503 2.378 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001441937053 1096130950 /nfs/dbraw/zinc/13/09/50/1096130950.db2.gz RRGDGEYTAZWNKK-MOPGFXCFSA-N 2 1 342.487 2.275 20 30 EEEDMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1cccc(C#N)c1 ZINC001442942697 1097355061 /nfs/dbraw/zinc/35/50/61/1097355061.db2.gz VKYIVXFBFRFBKD-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001445105376 1100330815 /nfs/dbraw/zinc/33/08/15/1100330815.db2.gz GDNVDVDDTNHPDW-ZIAGYGMSSA-N 2 1 346.313 2.111 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001495138553 1100808613 /nfs/dbraw/zinc/80/86/13/1100808613.db2.gz KMXHDZYOFIKVPJ-SFHVURJKSA-N 2 1 340.471 2.171 20 30 EEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001495495225 1101204322 /nfs/dbraw/zinc/20/43/22/1101204322.db2.gz LZMUBJHONCSBJB-AWEZNQCLSA-N 2 1 335.879 2.487 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499574084 1112379998 /nfs/dbraw/zinc/37/99/98/1112379998.db2.gz MYNXTTPJFUUWRA-QGZVFWFLSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499574084 1112380003 /nfs/dbraw/zinc/38/00/03/1112380003.db2.gz MYNXTTPJFUUWRA-QGZVFWFLSA-N 2 1 339.911 2.395 20 30 EEEDMP C=CCn1c([C@H]2CCCCN2C)nnc1N1CCN(C(C)C)CC1 ZINC001520305729 1119144790 /nfs/dbraw/zinc/14/47/90/1119144790.db2.gz SCZKEGVYIQMCMG-MRXNPFEDSA-N 2 1 332.496 2.151 20 30 EEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000422830940 240252769 /nfs/dbraw/zinc/25/27/69/240252769.db2.gz JAKQHZPRPUGZDG-IYWMVGAKSA-N 2 1 335.536 2.432 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000491620764 246086078 /nfs/dbraw/zinc/08/60/78/246086078.db2.gz GHEMUMCQYFSBCF-INIZCTEOSA-N 2 1 328.378 2.154 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000491620764 246086082 /nfs/dbraw/zinc/08/60/82/246086082.db2.gz GHEMUMCQYFSBCF-INIZCTEOSA-N 2 1 328.378 2.154 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000491815646 533148158 /nfs/dbraw/zinc/14/81/58/533148158.db2.gz VEHLWRXFZSUKNL-OAQYLSRUSA-N 2 1 339.483 2.112 20 30 EEEDMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C#N)cc1 ZINC000344181784 161205053 /nfs/dbraw/zinc/20/50/53/161205053.db2.gz ZRHLFVCLBHLQDT-HNNXBMFYSA-N 2 1 328.460 2.152 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccc(C#N)cc1 ZINC000374426634 167041338 /nfs/dbraw/zinc/04/13/38/167041338.db2.gz FMWNGAVGEVRYEV-NEWSRXKRSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOc1ccc(C#N)cc1 ZINC000374426634 167041342 /nfs/dbraw/zinc/04/13/42/167041342.db2.gz FMWNGAVGEVRYEV-NEWSRXKRSA-N 2 1 329.444 2.121 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)[NH+]1CCSCC1)C(C)C ZINC000152558351 462547851 /nfs/dbraw/zinc/54/78/51/462547851.db2.gz GXHOHJYKICUVFG-SJORKVTESA-N 2 1 339.549 2.239 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(SC)cc2)CC1 ZINC000579582662 468379220 /nfs/dbraw/zinc/37/92/20/468379220.db2.gz JPWGBNGUYFJYRB-INIZCTEOSA-N 2 1 336.501 2.388 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncc(-c2ccccc2)cn1 ZINC000185591498 463847247 /nfs/dbraw/zinc/84/72/47/463847247.db2.gz LDBLOICCRXBNAR-QGZVFWFLSA-N 2 1 338.459 2.032 20 30 EEEDMP C#CCCC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000271071685 464278134 /nfs/dbraw/zinc/27/81/34/464278134.db2.gz VVGMUWMFFBHNBV-LJQANCHMSA-N 2 1 326.488 2.329 20 30 EEEDMP CCCC(=O)Nc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000264079774 464281339 /nfs/dbraw/zinc/28/13/39/464281339.db2.gz GWUZZHMFDHZQQH-QGZVFWFLSA-N 2 1 345.491 2.314 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccco1)N1CCCCC1 ZINC000264079263 464281451 /nfs/dbraw/zinc/28/14/51/464281451.db2.gz ICUZPZJDXXEOSX-IAGOWNOFSA-N 2 1 347.507 2.195 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000293897097 464425030 /nfs/dbraw/zinc/42/50/30/464425030.db2.gz DZDSBDOQDRZKTF-UHFFFAOYSA-N 2 1 327.472 2.357 20 30 EEEDMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1C#N ZINC000281791978 464588170 /nfs/dbraw/zinc/58/81/70/464588170.db2.gz UPLCCGCJFWDXAR-ZWKOTPCHSA-N 2 1 329.444 2.034 20 30 EEEDMP C[C@@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)CN1CC[NH+](C)CC1 ZINC000267336751 464926096 /nfs/dbraw/zinc/92/60/96/464926096.db2.gz RZCIJQZGUYWYLV-INIZCTEOSA-N 2 1 343.519 2.176 20 30 EEEDMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000330893381 465849944 /nfs/dbraw/zinc/84/99/44/465849944.db2.gz QUDQEUVTTDDZJP-QWHCGFSZSA-N 2 1 347.463 2.201 20 30 EEEDMP C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424179634 466997873 /nfs/dbraw/zinc/99/78/73/466997873.db2.gz ZEFLYLVZGLQEOA-SZMVWBNQSA-N 2 1 328.460 2.034 20 30 EEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000550157216 468209405 /nfs/dbraw/zinc/20/94/05/468209405.db2.gz VISIEXLJAKFQPY-IYBDPMFKSA-N 2 1 340.475 2.449 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000970655316 676051915 /nfs/dbraw/zinc/05/19/15/676051915.db2.gz SHKSXRYWQJUVIF-OAHLLOKOSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(C)c2)C1 ZINC000969864830 675265853 /nfs/dbraw/zinc/26/58/53/675265853.db2.gz GERSZGKRFBFJSY-XLIONFOSSA-N 2 1 339.483 2.029 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(C)c2)C1 ZINC000969864830 675265855 /nfs/dbraw/zinc/26/58/55/675265855.db2.gz GERSZGKRFBFJSY-XLIONFOSSA-N 2 1 339.483 2.029 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC000971785037 676790323 /nfs/dbraw/zinc/79/03/23/676790323.db2.gz PWMAMWJCLKAGSG-FUHWJXTLSA-N 2 1 346.450 2.070 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000104154164 678005577 /nfs/dbraw/zinc/00/55/77/678005577.db2.gz ZZOZZGXJOYEVFU-SFHVURJKSA-N 2 1 348.491 2.163 20 30 EEEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024817995 681471801 /nfs/dbraw/zinc/47/18/01/681471801.db2.gz DJBWFIBUWBKIRX-INIZCTEOSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024817995 681471804 /nfs/dbraw/zinc/47/18/04/681471804.db2.gz DJBWFIBUWBKIRX-INIZCTEOSA-N 2 1 331.460 2.339 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460758 682824250 /nfs/dbraw/zinc/82/42/50/682824250.db2.gz MCVVJIQAINWGQZ-HUUCEWRRSA-N 2 1 334.464 2.143 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460758 682824254 /nfs/dbraw/zinc/82/42/54/682824254.db2.gz MCVVJIQAINWGQZ-HUUCEWRRSA-N 2 1 334.464 2.143 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001025629251 683160372 /nfs/dbraw/zinc/16/03/72/683160372.db2.gz DWCIDAZACWXREY-PKOBYXMFSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025631232 683169354 /nfs/dbraw/zinc/16/93/54/683169354.db2.gz YSGLFPNICKTMDZ-DLBZAZTESA-N 2 1 327.472 2.212 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC000992820186 683534160 /nfs/dbraw/zinc/53/41/60/683534160.db2.gz HQHIGEUOPSRRJE-KZNAEPCWSA-N 2 1 342.487 2.247 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974686913 685224876 /nfs/dbraw/zinc/22/48/76/685224876.db2.gz ZEZUYTOPEWTZTF-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974686913 685224882 /nfs/dbraw/zinc/22/48/82/685224882.db2.gz ZEZUYTOPEWTZTF-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974686913 685224886 /nfs/dbraw/zinc/22/48/86/685224886.db2.gz ZEZUYTOPEWTZTF-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974962265 685815520 /nfs/dbraw/zinc/81/55/20/685815520.db2.gz JTEOWVWHXDKLHJ-NVXWUHKLSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974962265 685815522 /nfs/dbraw/zinc/81/55/22/685815522.db2.gz JTEOWVWHXDKLHJ-NVXWUHKLSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027478385 692314176 /nfs/dbraw/zinc/31/41/76/692314176.db2.gz SLJPEUWWPKHNFZ-HNNXBMFYSA-N 2 1 325.884 2.290 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027478385 692314177 /nfs/dbraw/zinc/31/41/77/692314177.db2.gz SLJPEUWWPKHNFZ-HNNXBMFYSA-N 2 1 325.884 2.290 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C(C)(C)C1 ZINC000977449414 692634556 /nfs/dbraw/zinc/63/45/56/692634556.db2.gz JPRLCRZLIWJEMI-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977449414 692634559 /nfs/dbraw/zinc/63/45/59/692634559.db2.gz JPRLCRZLIWJEMI-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943333617 1192199938 /nfs/dbraw/zinc/19/99/38/1192199938.db2.gz JAZYIDRZAVJQIC-CJNGLKHVSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943333617 1192199942 /nfs/dbraw/zinc/19/99/42/1192199942.db2.gz JAZYIDRZAVJQIC-CJNGLKHVSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH+]ccc1N(C)C ZINC001089891074 1192908300 /nfs/dbraw/zinc/90/83/00/1192908300.db2.gz WOIQHQWUOFXNJD-RUENVJTFSA-N 2 1 340.471 2.116 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH+]ccc1N(C)C ZINC001089891074 1192908304 /nfs/dbraw/zinc/90/83/04/1192908304.db2.gz WOIQHQWUOFXNJD-RUENVJTFSA-N 2 1 340.471 2.116 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)C[C@@H]2C)CC1 ZINC000945179428 1193414723 /nfs/dbraw/zinc/41/47/23/1193414723.db2.gz IVHBEEJNZSQQTR-PKOBYXMFSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001105438466 1187119916 /nfs/dbraw/zinc/11/99/16/1187119916.db2.gz IMLMHDDEDICHPA-HFSMHLIXSA-N 2 1 341.499 2.463 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001105576885 1188191120 /nfs/dbraw/zinc/19/11/20/1188191120.db2.gz NMQSCZKEAKUUOW-GOSISDBHSA-N 2 1 342.487 2.356 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033938979 1195562839 /nfs/dbraw/zinc/56/28/39/1195562839.db2.gz DRVKJOKTQRSZHO-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033938979 1195562840 /nfs/dbraw/zinc/56/28/40/1195562840.db2.gz DRVKJOKTQRSZHO-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001005498448 1195659577 /nfs/dbraw/zinc/65/95/77/1195659577.db2.gz TYVNTCXKKUUJSC-IBGZPJMESA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366108 1196155067 /nfs/dbraw/zinc/15/50/67/1196155067.db2.gz WWCFTOABLNUEFU-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366108 1196155071 /nfs/dbraw/zinc/15/50/71/1196155071.db2.gz WWCFTOABLNUEFU-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001133893559 1199149566 /nfs/dbraw/zinc/14/95/66/1199149566.db2.gz KOMORZJOONDRLJ-UHFFFAOYSA-N 2 1 347.890 2.129 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001132270855 1199510809 /nfs/dbraw/zinc/51/08/09/1199510809.db2.gz WIAXFIYUSCWYRV-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)s1 ZINC001132270855 1199510813 /nfs/dbraw/zinc/51/08/13/1199510813.db2.gz WIAXFIYUSCWYRV-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132410293 1199678076 /nfs/dbraw/zinc/67/80/76/1199678076.db2.gz LEZNCKVXAVZMAL-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132410293 1199678080 /nfs/dbraw/zinc/67/80/80/1199678080.db2.gz LEZNCKVXAVZMAL-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132410293 1199678082 /nfs/dbraw/zinc/67/80/82/1199678082.db2.gz LEZNCKVXAVZMAL-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132410293 1199678088 /nfs/dbraw/zinc/67/80/88/1199678088.db2.gz LEZNCKVXAVZMAL-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001132931666 1200208680 /nfs/dbraw/zinc/20/86/80/1200208680.db2.gz BQPRCDGWASBTAD-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP CC[C@@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)[NH+](CC)CC ZINC001133683917 1201179997 /nfs/dbraw/zinc/17/99/97/1201179997.db2.gz APZGTNRXLXCMHP-KRWDZBQOSA-N 2 1 334.439 2.024 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000883131340 1202017892 /nfs/dbraw/zinc/01/78/92/1202017892.db2.gz WWLMXAPZKDBZMI-UHFFFAOYSA-N 2 1 332.398 2.410 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000883131340 1202017894 /nfs/dbraw/zinc/01/78/94/1202017894.db2.gz WWLMXAPZKDBZMI-UHFFFAOYSA-N 2 1 332.398 2.410 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)ccc1C ZINC000931397763 1207370093 /nfs/dbraw/zinc/37/00/93/1207370093.db2.gz XQIAZPPMZJTNMM-GOSISDBHSA-N 2 1 342.487 2.355 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439159 1209138704 /nfs/dbraw/zinc/13/87/04/1209138704.db2.gz ISRDCEWKFNUUNS-IRXDYDNUSA-N 2 1 328.460 2.097 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439159 1209138707 /nfs/dbraw/zinc/13/87/07/1209138707.db2.gz ISRDCEWKFNUUNS-IRXDYDNUSA-N 2 1 328.460 2.097 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000948604759 1209247467 /nfs/dbraw/zinc/24/74/67/1209247467.db2.gz ILJGWHVBWBAICN-MRXNPFEDSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000948785962 1209375766 /nfs/dbraw/zinc/37/57/66/1209375766.db2.gz SRTBMNUUWJYLRS-GVDBMIGSSA-N 2 1 330.476 2.413 20 30 EEEDMP C=C(C)CNC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000303893870 1213922997 /nfs/dbraw/zinc/92/29/97/1213922997.db2.gz SDMIFHQBWMDSGX-UHFFFAOYSA-N 2 1 349.910 2.333 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCN(C)c1ccccc1 ZINC000303905504 1213923460 /nfs/dbraw/zinc/92/34/60/1213923460.db2.gz ZLRXPGMGHDNXJI-SFHVURJKSA-N 2 1 331.508 2.292 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593317 1215238884 /nfs/dbraw/zinc/23/88/84/1215238884.db2.gz RTHLCRWBCDNQDI-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961192869 1217080273 /nfs/dbraw/zinc/08/02/73/1217080273.db2.gz DBEUAZVZGIVNIM-MOPGFXCFSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961277062 1217123631 /nfs/dbraw/zinc/12/36/31/1217123631.db2.gz AGEJWXCNNFMQFN-IRXDYDNUSA-N 2 1 339.911 2.395 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963368401 1217565403 /nfs/dbraw/zinc/56/54/03/1217565403.db2.gz WFWOVJDAPGKKNN-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963471901 1217653972 /nfs/dbraw/zinc/65/39/72/1217653972.db2.gz QKBOAKNLXYLAHY-ACBHZAAOSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963471901 1217653975 /nfs/dbraw/zinc/65/39/75/1217653975.db2.gz QKBOAKNLXYLAHY-ACBHZAAOSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C2)CC1 ZINC001016336069 1226359340 /nfs/dbraw/zinc/35/93/40/1226359340.db2.gz HYCMKMNKIOGEIW-IBGZPJMESA-N 2 1 343.515 2.102 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018835616 1228443545 /nfs/dbraw/zinc/44/35/45/1228443545.db2.gz KTWYYWGPEBTDBB-OALUTQOASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001019820518 1229362947 /nfs/dbraw/zinc/36/29/47/1229362947.db2.gz NRSOGGZPAKHNPP-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020250731 1229582965 /nfs/dbraw/zinc/58/29/65/1229582965.db2.gz NJMIULKQPBCDDL-LKIAZTKLSA-N 2 1 331.504 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020250731 1229582966 /nfs/dbraw/zinc/58/29/66/1229582966.db2.gz NJMIULKQPBCDDL-LKIAZTKLSA-N 2 1 331.504 2.147 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137774 1230351163 /nfs/dbraw/zinc/35/11/63/1230351163.db2.gz LBHXBNCMSIONMP-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137774 1230351168 /nfs/dbraw/zinc/35/11/68/1230351168.db2.gz LBHXBNCMSIONMP-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137774 1230351179 /nfs/dbraw/zinc/35/11/79/1230351179.db2.gz LBHXBNCMSIONMP-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC001039169941 1230394761 /nfs/dbraw/zinc/39/47/61/1230394761.db2.gz IDOBDRARMRWUPO-SFHVURJKSA-N 2 1 344.503 2.489 20 30 EEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001039294840 1230513396 /nfs/dbraw/zinc/51/33/96/1230513396.db2.gz AGSGQMDLIJIQCR-XVLXNVKGSA-N 2 1 349.519 2.173 20 30 EEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001039294840 1230513402 /nfs/dbraw/zinc/51/34/02/1230513402.db2.gz AGSGQMDLIJIQCR-XVLXNVKGSA-N 2 1 349.519 2.173 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001039387207 1230572212 /nfs/dbraw/zinc/57/22/12/1230572212.db2.gz YBSHZYHBICIOEP-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039387207 1230572214 /nfs/dbraw/zinc/57/22/14/1230572214.db2.gz YBSHZYHBICIOEP-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039387207 1230572216 /nfs/dbraw/zinc/57/22/16/1230572216.db2.gz YBSHZYHBICIOEP-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474703 1230638165 /nfs/dbraw/zinc/63/81/65/1230638165.db2.gz VVRDJFVIIMCJJN-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474703 1230638167 /nfs/dbraw/zinc/63/81/67/1230638167.db2.gz VVRDJFVIIMCJJN-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040490841 1231259264 /nfs/dbraw/zinc/25/92/64/1231259264.db2.gz CTLRUUXKJFUOHY-AEFFLSMTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040490841 1231259266 /nfs/dbraw/zinc/25/92/66/1231259266.db2.gz CTLRUUXKJFUOHY-AEFFLSMTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040490841 1231259269 /nfs/dbraw/zinc/25/92/69/1231259269.db2.gz CTLRUUXKJFUOHY-AEFFLSMTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040490841 1231259274 /nfs/dbraw/zinc/25/92/74/1231259274.db2.gz CTLRUUXKJFUOHY-AEFFLSMTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041605849 1231621184 /nfs/dbraw/zinc/62/11/84/1231621184.db2.gz NIRLMQAOZZWWHQ-IBGZPJMESA-N 2 1 331.460 2.455 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677982 1231647214 /nfs/dbraw/zinc/64/72/14/1231647214.db2.gz FGDASGGGOCKTIJ-PMACEKPBSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001041677982 1231647216 /nfs/dbraw/zinc/64/72/16/1231647216.db2.gz FGDASGGGOCKTIJ-PMACEKPBSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001041677982 1231647217 /nfs/dbraw/zinc/64/72/17/1231647217.db2.gz FGDASGGGOCKTIJ-PMACEKPBSA-N 2 1 349.494 2.147 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042260855 1231988328 /nfs/dbraw/zinc/98/83/28/1231988328.db2.gz XWQRWXSCDRQUHO-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042260855 1231988330 /nfs/dbraw/zinc/98/83/30/1231988330.db2.gz XWQRWXSCDRQUHO-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCC(C)C)[C@@H]3C2)CC1 ZINC001042367938 1232050467 /nfs/dbraw/zinc/05/04/67/1232050467.db2.gz MKDVBFXRTGGLBF-UYAOXDASSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045939444 1234194522 /nfs/dbraw/zinc/19/45/22/1234194522.db2.gz BGXGDCVIEMDNJX-CTNGQTDRSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046925940 1235314459 /nfs/dbraw/zinc/31/44/59/1235314459.db2.gz PPPZLDWGJDDYRW-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046925940 1235314462 /nfs/dbraw/zinc/31/44/62/1235314462.db2.gz PPPZLDWGJDDYRW-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046925940 1235314467 /nfs/dbraw/zinc/31/44/67/1235314467.db2.gz PPPZLDWGJDDYRW-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047226775 1235700462 /nfs/dbraw/zinc/70/04/62/1235700462.db2.gz XHYHFWUGZQIJTA-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047240321 1235726439 /nfs/dbraw/zinc/72/64/39/1235726439.db2.gz ATWBUDRWZPOSDR-BHIYHBOVSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001047243974 1235734679 /nfs/dbraw/zinc/73/46/79/1235734679.db2.gz OILOQUFJGSJRES-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=C)C ZINC001048533197 1237894037 /nfs/dbraw/zinc/89/40/37/1237894037.db2.gz SNNQHESBLLAJGI-YRPNKDGESA-N 2 1 343.515 2.409 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=C)C ZINC001048533197 1237894048 /nfs/dbraw/zinc/89/40/48/1237894048.db2.gz SNNQHESBLLAJGI-YRPNKDGESA-N 2 1 343.515 2.409 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(=C)C ZINC001048533197 1237894054 /nfs/dbraw/zinc/89/40/54/1237894054.db2.gz SNNQHESBLLAJGI-YRPNKDGESA-N 2 1 343.515 2.409 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(=C)C ZINC001048533197 1237894058 /nfs/dbraw/zinc/89/40/58/1237894058.db2.gz SNNQHESBLLAJGI-YRPNKDGESA-N 2 1 343.515 2.409 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001048533290 1237897223 /nfs/dbraw/zinc/89/72/23/1237897223.db2.gz YPNMGKQXUBKICD-MHORFTMASA-N 2 1 340.471 2.143 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001048533290 1237897230 /nfs/dbraw/zinc/89/72/30/1237897230.db2.gz YPNMGKQXUBKICD-MHORFTMASA-N 2 1 340.471 2.143 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001000101260 1239941924 /nfs/dbraw/zinc/94/19/24/1239941924.db2.gz PEKSRARCJYDWSG-OAHLLOKOSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001000101260 1239941929 /nfs/dbraw/zinc/94/19/29/1239941929.db2.gz PEKSRARCJYDWSG-OAHLLOKOSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC001000185399 1240039600 /nfs/dbraw/zinc/03/96/00/1240039600.db2.gz OCCYASNAGTWWCA-RTBURBONSA-N 2 1 343.515 2.387 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001000684599 1240729050 /nfs/dbraw/zinc/72/90/50/1240729050.db2.gz CLOROFXXKDKAER-LJQANCHMSA-N 2 1 343.515 2.413 20 30 EEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001000684599 1240729061 /nfs/dbraw/zinc/72/90/61/1240729061.db2.gz CLOROFXXKDKAER-LJQANCHMSA-N 2 1 343.515 2.413 20 30 EEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001000684599 1240729068 /nfs/dbraw/zinc/72/90/68/1240729068.db2.gz CLOROFXXKDKAER-LJQANCHMSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049485180 1241098510 /nfs/dbraw/zinc/09/85/10/1241098510.db2.gz MCCNTMZNSIXQTB-KZNAEPCWSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049485180 1241098522 /nfs/dbraw/zinc/09/85/22/1241098522.db2.gz MCCNTMZNSIXQTB-KZNAEPCWSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049523782 1241240483 /nfs/dbraw/zinc/24/04/83/1241240483.db2.gz HDZOZXDFRPPVRW-CEXWTWQISA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049523782 1241240490 /nfs/dbraw/zinc/24/04/90/1241240490.db2.gz HDZOZXDFRPPVRW-CEXWTWQISA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049523782 1241240502 /nfs/dbraw/zinc/24/05/02/1241240502.db2.gz HDZOZXDFRPPVRW-CEXWTWQISA-N 2 1 331.504 2.338 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049615704 1241652319 /nfs/dbraw/zinc/65/23/19/1241652319.db2.gz NKWDCBLWMQYFSC-VQTJNVASSA-N 2 1 339.483 2.103 20 30 EEEDMP N#CC1(CCCC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC1 ZINC000903742017 1241798525 /nfs/dbraw/zinc/79/85/25/1241798525.db2.gz ULQMEVBPDOFNRH-QZTJIDSGSA-N 2 1 346.519 2.431 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517774 1243770186 /nfs/dbraw/zinc/77/01/86/1243770186.db2.gz FLJFPMVJOARGIT-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)CC1 ZINC001050593023 1243908803 /nfs/dbraw/zinc/90/88/03/1243908803.db2.gz CQHZCUCTMIXOSP-UHFFFAOYSA-N 2 1 342.487 2.262 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001050766016 1244320686 /nfs/dbraw/zinc/32/06/86/1244320686.db2.gz CKNYGOYXONRJDI-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053032970 1245725779 /nfs/dbraw/zinc/72/57/79/1245725779.db2.gz QKZUETCSHBWQSB-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053099721 1245904143 /nfs/dbraw/zinc/90/41/43/1245904143.db2.gz XZWILHVLTRCISB-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053099721 1245904149 /nfs/dbraw/zinc/90/41/49/1245904149.db2.gz XZWILHVLTRCISB-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053099721 1245904157 /nfs/dbraw/zinc/90/41/57/1245904157.db2.gz XZWILHVLTRCISB-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)O2 ZINC001053646706 1246584520 /nfs/dbraw/zinc/58/45/20/1246584520.db2.gz CRPGBKVRVFWQEB-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)O2 ZINC001053673683 1246625441 /nfs/dbraw/zinc/62/54/41/1246625441.db2.gz FGYKDRUHRVDSCL-ZWKOTPCHSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001054060434 1247272770 /nfs/dbraw/zinc/27/27/70/1247272770.db2.gz MSVJSUFMTOWUDC-PMACEKPBSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054060434 1247272783 /nfs/dbraw/zinc/27/27/83/1247272783.db2.gz MSVJSUFMTOWUDC-PMACEKPBSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054060434 1247272790 /nfs/dbraw/zinc/27/27/90/1247272790.db2.gz MSVJSUFMTOWUDC-PMACEKPBSA-N 2 1 341.499 2.447 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145041 1247517882 /nfs/dbraw/zinc/51/78/82/1247517882.db2.gz INJQHCFYDOUGKH-VQIMIIECSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145041 1247517892 /nfs/dbraw/zinc/51/78/92/1247517892.db2.gz INJQHCFYDOUGKH-VQIMIIECSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159241 1247563335 /nfs/dbraw/zinc/56/33/35/1247563335.db2.gz UTFPPAMUIUAVAS-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159241 1247563344 /nfs/dbraw/zinc/56/33/44/1247563344.db2.gz UTFPPAMUIUAVAS-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159241 1247563348 /nfs/dbraw/zinc/56/33/48/1247563348.db2.gz UTFPPAMUIUAVAS-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182330 1247634607 /nfs/dbraw/zinc/63/46/07/1247634607.db2.gz HRXQBIYPERMABK-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182330 1247634613 /nfs/dbraw/zinc/63/46/13/1247634613.db2.gz HRXQBIYPERMABK-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182330 1247634624 /nfs/dbraw/zinc/63/46/24/1247634624.db2.gz HRXQBIYPERMABK-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001054296210 1248076521 /nfs/dbraw/zinc/07/65/21/1248076521.db2.gz YZUKNYRYIJFUOJ-TUNPWDSISA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001054296210 1248076530 /nfs/dbraw/zinc/07/65/30/1248076530.db2.gz YZUKNYRYIJFUOJ-TUNPWDSISA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071676515 1254496581 /nfs/dbraw/zinc/49/65/81/1254496581.db2.gz MNHIQVMYOLEEBI-HZPDHXFCSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099551796 1258200446 /nfs/dbraw/zinc/20/04/46/1258200446.db2.gz DEPOBXAGELOONT-YVSFHVDLSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551796 1258200450 /nfs/dbraw/zinc/20/04/50/1258200450.db2.gz DEPOBXAGELOONT-YVSFHVDLSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551796 1258200454 /nfs/dbraw/zinc/20/04/54/1258200454.db2.gz DEPOBXAGELOONT-YVSFHVDLSA-N 2 1 339.911 2.250 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001100900114 1259411315 /nfs/dbraw/zinc/41/13/15/1259411315.db2.gz QWLNAJGRORIQRZ-UHFFFAOYSA-N 2 1 346.450 2.024 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185788832 1278782661 /nfs/dbraw/zinc/78/26/61/1278782661.db2.gz QHFMSANIXRKFKD-ICSRJNTNSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185788832 1278782665 /nfs/dbraw/zinc/78/26/65/1278782665.db2.gz QHFMSANIXRKFKD-ICSRJNTNSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174219 1280719696 /nfs/dbraw/zinc/71/96/96/1280719696.db2.gz DIGUWNKDQBTCEL-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190174219 1280719705 /nfs/dbraw/zinc/71/97/05/1280719705.db2.gz DIGUWNKDQBTCEL-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190174219 1280719715 /nfs/dbraw/zinc/71/97/15/1280719715.db2.gz DIGUWNKDQBTCEL-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194410693 1283042887 /nfs/dbraw/zinc/04/28/87/1283042887.db2.gz VDMGXVYWEFOFPQ-INIZCTEOSA-N 2 1 331.460 2.291 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196129032 1283911927 /nfs/dbraw/zinc/91/19/27/1283911927.db2.gz HJXMUAAFFVXIKG-FGTMMUONSA-N 2 1 341.540 2.239 20 30 EEEDMP C=CCC[NH+]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001197172904 1284493143 /nfs/dbraw/zinc/49/31/43/1284493143.db2.gz PTDJBXVHDOHOKB-UHFFFAOYSA-N 2 1 329.488 2.271 20 30 EEEDMP C=CCC[NH+]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001197172904 1284493148 /nfs/dbraw/zinc/49/31/48/1284493148.db2.gz PTDJBXVHDOHOKB-UHFFFAOYSA-N 2 1 329.488 2.271 20 30 EEEDMP C=CCC[N@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001197172904 1284493155 /nfs/dbraw/zinc/49/31/55/1284493155.db2.gz PTDJBXVHDOHOKB-UHFFFAOYSA-N 2 1 329.488 2.271 20 30 EEEDMP C=CCC[N@@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001197172904 1284493159 /nfs/dbraw/zinc/49/31/59/1284493159.db2.gz PTDJBXVHDOHOKB-UHFFFAOYSA-N 2 1 329.488 2.271 20 30 EEEDMP C=CCOCC[NH+]1CCCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001197478038 1284623190 /nfs/dbraw/zinc/62/31/90/1284623190.db2.gz RWZNDNNFYFSFGC-UHFFFAOYSA-N 2 1 339.524 2.235 20 30 EEEDMP C=CCOCC[N@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197478038 1284623200 /nfs/dbraw/zinc/62/32/00/1284623200.db2.gz RWZNDNNFYFSFGC-UHFFFAOYSA-N 2 1 339.524 2.235 20 30 EEEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197478038 1284623204 /nfs/dbraw/zinc/62/32/04/1284623204.db2.gz RWZNDNNFYFSFGC-UHFFFAOYSA-N 2 1 339.524 2.235 20 30 EEEDMP C=CCCC[N@H+]1CCCN(C(=O)c2cnn(-c3ccncc3)c2)CC1 ZINC001197568284 1284691790 /nfs/dbraw/zinc/69/17/90/1284691790.db2.gz HSGVLQUOSGMBFR-UHFFFAOYSA-N 2 1 339.443 2.381 20 30 EEEDMP C=CCCC[N@@H+]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001197568284 1284691799 /nfs/dbraw/zinc/69/17/99/1284691799.db2.gz HSGVLQUOSGMBFR-UHFFFAOYSA-N 2 1 339.443 2.381 20 30 EEEDMP C=CCCC[N@H+]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001197568284 1284691805 /nfs/dbraw/zinc/69/18/05/1284691805.db2.gz HSGVLQUOSGMBFR-UHFFFAOYSA-N 2 1 339.443 2.381 20 30 EEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198617383 1285247025 /nfs/dbraw/zinc/24/70/25/1285247025.db2.gz OMRMXLIMBTZJBB-IAGOWNOFSA-N 2 1 331.460 2.112 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCCO1 ZINC001201411430 1289560557 /nfs/dbraw/zinc/56/05/57/1289560557.db2.gz QGSXRJIRUAPIPD-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001110714644 1293677566 /nfs/dbraw/zinc/67/75/66/1293677566.db2.gz BDJJZVQPMLOIAS-MKXGPGLRSA-N 2 1 340.471 2.120 20 30 EEEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001110714644 1293677570 /nfs/dbraw/zinc/67/75/70/1293677570.db2.gz BDJJZVQPMLOIAS-MKXGPGLRSA-N 2 1 340.471 2.120 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671609 1296131472 /nfs/dbraw/zinc/13/14/72/1296131472.db2.gz OIOZZSWLEIMVBM-IAGOWNOFSA-N 2 1 327.513 2.114 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671609 1296131466 /nfs/dbraw/zinc/13/14/66/1296131466.db2.gz OIOZZSWLEIMVBM-IAGOWNOFSA-N 2 1 327.513 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671609 1296131471 /nfs/dbraw/zinc/13/14/71/1296131471.db2.gz OIOZZSWLEIMVBM-IAGOWNOFSA-N 2 1 327.513 2.114 20 30 EEEDMP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(C[C@H]([NH3+])C(=O)OCC)cc1 ZINC001218457532 1297669249 /nfs/dbraw/zinc/66/92/49/1297669249.db2.gz RTIVFOIQGQUZJX-RCCFBDPRSA-N 2 1 332.444 2.195 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001220868284 1298566828 /nfs/dbraw/zinc/56/68/28/1298566828.db2.gz GABOWZOMBMQLEH-GBESFXJTSA-N 2 1 327.472 2.289 20 30 EEEDMP C=CCOCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001099321208 1299039298 /nfs/dbraw/zinc/03/92/98/1299039298.db2.gz QMCLXZYSJCKJHQ-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001099321208 1299039313 /nfs/dbraw/zinc/03/93/13/1299039313.db2.gz QMCLXZYSJCKJHQ-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001099321208 1299039329 /nfs/dbraw/zinc/03/93/29/1299039329.db2.gz QMCLXZYSJCKJHQ-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@@H]21 ZINC001223038927 1299960500 /nfs/dbraw/zinc/96/05/00/1299960500.db2.gz ATPLQWNJFLIONU-MJGOQNOKSA-N 2 1 342.487 2.407 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223379614 1300107792 /nfs/dbraw/zinc/10/77/92/1300107792.db2.gz XIPOTEVPWQXGKV-CABCVRRESA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223379614 1300107802 /nfs/dbraw/zinc/10/78/02/1300107802.db2.gz XIPOTEVPWQXGKV-CABCVRRESA-N 2 1 325.884 2.004 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](C)C ZINC001102377693 1300958212 /nfs/dbraw/zinc/95/82/12/1300958212.db2.gz CRHWIRSEQPCOQM-CPUCHLNUSA-N 2 1 348.516 2.144 20 30 EEEDMP C=CCCC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccnc1 ZINC001230923558 1303547785 /nfs/dbraw/zinc/54/77/85/1303547785.db2.gz IXQRROILHIBBQU-UHFFFAOYSA-N 2 1 344.503 2.452 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112104497 1304241787 /nfs/dbraw/zinc/24/17/87/1304241787.db2.gz LTONDTBKEYXEOL-KBUPBQIOSA-N 2 1 347.425 2.272 20 30 EEEDMP C=CCCCN1CCc2n[nH]c(C(=O)N(C)CC[NH+](CC)CC)c2C1 ZINC001277779257 1304396229 /nfs/dbraw/zinc/39/62/29/1304396229.db2.gz DGFKXBHTQGHNJR-UHFFFAOYSA-N 2 1 347.507 2.148 20 30 EEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001121646253 1310085802 /nfs/dbraw/zinc/08/58/02/1310085802.db2.gz FVCQPXYSGIKBIF-UEBDJUODSA-N 2 1 342.487 2.347 20 30 EEEDMP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160866278 1320296035 /nfs/dbraw/zinc/29/60/35/1320296035.db2.gz AIFZMOAFAGVYQM-VQTJNVASSA-N 2 1 339.483 2.151 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001161250954 1320434928 /nfs/dbraw/zinc/43/49/28/1320434928.db2.gz FLNIYKWADUVHLV-UHFFFAOYSA-N 2 1 333.451 2.003 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001151132537 1316455886 /nfs/dbraw/zinc/45/58/86/1316455886.db2.gz RSKOLUHQRWFNGE-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001151340044 1316507981 /nfs/dbraw/zinc/50/79/81/1316507981.db2.gz OZDDQLFWHWIZGU-UHFFFAOYSA-N 2 1 348.491 2.180 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCc1cccs1 ZINC001153868524 1316904610 /nfs/dbraw/zinc/90/46/10/1316904610.db2.gz VEGIAQHCXTUISB-AEFFLSMTSA-N 2 1 347.528 2.215 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCc1cccs1 ZINC001153868524 1316904611 /nfs/dbraw/zinc/90/46/11/1316904611.db2.gz VEGIAQHCXTUISB-AEFFLSMTSA-N 2 1 347.528 2.215 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCc1cccs1 ZINC001153868524 1316904613 /nfs/dbraw/zinc/90/46/13/1316904613.db2.gz VEGIAQHCXTUISB-AEFFLSMTSA-N 2 1 347.528 2.215 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCc1cccs1 ZINC001153868524 1316904616 /nfs/dbraw/zinc/90/46/16/1316904616.db2.gz VEGIAQHCXTUISB-AEFFLSMTSA-N 2 1 347.528 2.215 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCc1cccs1 ZINC001153868524 1316904618 /nfs/dbraw/zinc/90/46/18/1316904618.db2.gz VEGIAQHCXTUISB-AEFFLSMTSA-N 2 1 347.528 2.215 20 30 EEEDMP CC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156928095 1318293206 /nfs/dbraw/zinc/29/32/06/1318293206.db2.gz YHTAHUZMSPZSAR-OAHLLOKOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156928095 1318293213 /nfs/dbraw/zinc/29/32/13/1318293213.db2.gz YHTAHUZMSPZSAR-OAHLLOKOSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256614436 1318802039 /nfs/dbraw/zinc/80/20/39/1318802039.db2.gz TVZVGOFPVHJLRY-CSNJMZFVSA-N 2 1 327.472 2.106 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC001158154940 1319046141 /nfs/dbraw/zinc/04/61/41/1319046141.db2.gz DCEBCDGOUGFITR-LJQANCHMSA-N 2 1 342.487 2.244 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC001158403131 1319221903 /nfs/dbraw/zinc/22/19/03/1319221903.db2.gz AISVIWIOYOQDSF-FUHWJXTLSA-N 2 1 346.450 2.024 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001160267133 1320116290 /nfs/dbraw/zinc/11/62/90/1320116290.db2.gz LSPNZNQYXQWRDG-IBGZPJMESA-N 2 1 345.462 2.148 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161446037 1320503803 /nfs/dbraw/zinc/50/38/03/1320503803.db2.gz VUONJUFNWRANIK-RBUKOAKNSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161446037 1320503809 /nfs/dbraw/zinc/50/38/09/1320503809.db2.gz VUONJUFNWRANIK-RBUKOAKNSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161446037 1320503813 /nfs/dbraw/zinc/50/38/13/1320503813.db2.gz VUONJUFNWRANIK-RBUKOAKNSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](C[C@@H](F)CC)CC2)CC1 ZINC001161947108 1320689285 /nfs/dbraw/zinc/68/92/85/1320689285.db2.gz YGJPXZRQLOFPCB-IBGZPJMESA-N 2 1 349.494 2.218 20 30 EEEDMP C=CCCC[NH+]1CCC(CNC(=O)C[N@H+](C)CCC)(COC)CC1 ZINC001162585346 1320904618 /nfs/dbraw/zinc/90/46/18/1320904618.db2.gz GBVZIFVZGHOTGM-UHFFFAOYSA-N 2 1 339.524 2.139 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001165545252 1321543576 /nfs/dbraw/zinc/54/35/76/1321543576.db2.gz ISUBBLFHQPNOHO-SFHVURJKSA-N 2 1 331.504 2.150 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001165545252 1321543584 /nfs/dbraw/zinc/54/35/84/1321543584.db2.gz ISUBBLFHQPNOHO-SFHVURJKSA-N 2 1 331.504 2.150 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001165569295 1321546918 /nfs/dbraw/zinc/54/69/18/1321546918.db2.gz VSCRVKZFNUIUKU-HNNXBMFYSA-N 2 1 327.900 2.489 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001166744080 1321779324 /nfs/dbraw/zinc/77/93/24/1321779324.db2.gz GTKZBRJUELYOAI-UHFFFAOYSA-N 2 1 330.476 2.132 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001207641402 1324063841 /nfs/dbraw/zinc/06/38/41/1324063841.db2.gz LDNFQRRPHNWZPE-RLLQIKCJSA-N 2 1 341.499 2.061 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001207641402 1324063846 /nfs/dbraw/zinc/06/38/46/1324063846.db2.gz LDNFQRRPHNWZPE-RLLQIKCJSA-N 2 1 341.499 2.061 20 30 EEEDMP C=CCOCc1nn(C)c2c1C[N@@H+](CC1CC[NH+](CC)CC1)CC2 ZINC001208596438 1324580394 /nfs/dbraw/zinc/58/03/94/1324580394.db2.gz OGUTVBNOWHQASN-UHFFFAOYSA-N 2 1 332.492 2.213 20 30 EEEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3cc(C#N)ccn3)CC2)C1 ZINC001276688785 1325405567 /nfs/dbraw/zinc/40/55/67/1325405567.db2.gz SOGIDBXAIJDLLD-UHFFFAOYSA-N 2 1 341.503 2.193 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001311434606 1331772103 /nfs/dbraw/zinc/77/21/03/1331772103.db2.gz PKFOKMOPVPXNDM-QRVBRYPASA-N 2 1 348.535 2.141 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001311434606 1331772104 /nfs/dbraw/zinc/77/21/04/1331772104.db2.gz PKFOKMOPVPXNDM-QRVBRYPASA-N 2 1 348.535 2.141 20 30 EEEDMP N#CCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000848533176 1338716155 /nfs/dbraw/zinc/71/61/55/1338716155.db2.gz FFFVEWBEHOFAGV-IBGZPJMESA-N 2 1 329.444 2.322 20 30 EEEDMP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001574614420 1343688998 /nfs/dbraw/zinc/68/89/98/1343688998.db2.gz AZERFUTVOZXTDG-SJORKVTESA-N 2 1 344.507 2.037 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001161213132 1372881416 /nfs/dbraw/zinc/88/14/16/1372881416.db2.gz GZPXQOPBDMZWGD-FQEVSTJZSA-N 2 1 349.494 2.361 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001161213132 1372881418 /nfs/dbraw/zinc/88/14/18/1372881418.db2.gz GZPXQOPBDMZWGD-FQEVSTJZSA-N 2 1 349.494 2.361 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001161213132 1372881423 /nfs/dbraw/zinc/88/14/23/1372881423.db2.gz GZPXQOPBDMZWGD-FQEVSTJZSA-N 2 1 349.494 2.361 20 30 EEEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@H+](C)CC)C2 ZINC001376377849 1378498718 /nfs/dbraw/zinc/49/87/18/1378498718.db2.gz NNNVEPNQNHJPRQ-MUJYYYPQSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)CC)C2 ZINC001376377849 1378498721 /nfs/dbraw/zinc/49/87/21/1378498721.db2.gz NNNVEPNQNHJPRQ-MUJYYYPQSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)CC)C2 ZINC001376377849 1378498727 /nfs/dbraw/zinc/49/87/27/1378498727.db2.gz NNNVEPNQNHJPRQ-MUJYYYPQSA-N 2 1 327.900 2.440 20 30 EEEDMP C[NH+](C)CCCC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001377706943 1379463586 /nfs/dbraw/zinc/46/35/86/1379463586.db2.gz OTQOKLPJZYFWHP-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001379764237 1380873267 /nfs/dbraw/zinc/87/32/67/1380873267.db2.gz GBMSUZZAKNVADV-CJNGLKHVSA-N 2 1 336.505 2.142 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001379764237 1380873271 /nfs/dbraw/zinc/87/32/71/1380873271.db2.gz GBMSUZZAKNVADV-CJNGLKHVSA-N 2 1 336.505 2.142 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001380680496 1381336927 /nfs/dbraw/zinc/33/69/27/1381336927.db2.gz YQMQDDQYYGUZGE-LPHOPBHVSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001380960764 1381467293 /nfs/dbraw/zinc/46/72/93/1381467293.db2.gz JKRSEEAHAZIZBV-MRXNPFEDSA-N 2 1 336.505 2.240 20 30 EEEDMP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1cccc(C#N)c1 ZINC001399495743 1395162637 /nfs/dbraw/zinc/16/26/37/1395162637.db2.gz BIFUBKZVOUMWHN-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Br)C[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001402600958 1398078296 /nfs/dbraw/zinc/07/82/96/1398078296.db2.gz AEKGJBJZPBKJRD-KBPBESRZSA-N 2 1 346.313 2.206 20 30 EEEDMP C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001402600958 1398078299 /nfs/dbraw/zinc/07/82/99/1398078299.db2.gz AEKGJBJZPBKJRD-KBPBESRZSA-N 2 1 346.313 2.206 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001755075897 1407086560 /nfs/dbraw/zinc/08/65/60/1407086560.db2.gz OVUMTPWGDCVIKJ-IBGZPJMESA-N 2 1 338.455 2.311 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001755075897 1407086566 /nfs/dbraw/zinc/08/65/66/1407086566.db2.gz OVUMTPWGDCVIKJ-IBGZPJMESA-N 2 1 338.455 2.311 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001423682468 1400742713 /nfs/dbraw/zinc/74/27/13/1400742713.db2.gz MRIFDZRPNVIMMT-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001424330438 1401069442 /nfs/dbraw/zinc/06/94/42/1401069442.db2.gz FURSPWNIXHGANN-UHFFFAOYSA-N 2 1 339.443 2.044 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001424330438 1401069450 /nfs/dbraw/zinc/06/94/50/1401069450.db2.gz FURSPWNIXHGANN-UHFFFAOYSA-N 2 1 339.443 2.044 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001425969651 1401824092 /nfs/dbraw/zinc/82/40/92/1401824092.db2.gz PVAUIQOSENRTDE-UONOGXRCSA-N 2 1 346.313 2.111 20 30 EEEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001755566866 1407637973 /nfs/dbraw/zinc/63/79/73/1407637973.db2.gz CEOGFYIHSHKNEB-APWZRJJASA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]21 ZINC001755708360 1407761872 /nfs/dbraw/zinc/76/18/72/1407761872.db2.gz LWKRFMXIDOVWID-GBESFXJTSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1(C)C ZINC001755761573 1407820873 /nfs/dbraw/zinc/82/08/73/1407820873.db2.gz KKMGAWFAADXHSS-IBGZPJMESA-N 2 1 341.499 2.011 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001121232306 1410217811 /nfs/dbraw/zinc/21/78/11/1410217811.db2.gz DNGDDEUJWQDLAI-UFQJCFOOSA-N 2 1 331.504 2.005 20 30 EEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001087777258 782227290 /nfs/dbraw/zinc/22/72/90/782227290.db2.gz RLBLLDSTYGLFMP-DLBZAZTESA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001087777258 782227298 /nfs/dbraw/zinc/22/72/98/782227298.db2.gz RLBLLDSTYGLFMP-DLBZAZTESA-N 2 1 325.416 2.036 20 30 EEEDMP C=C(Br)C[NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001206952334 757618694 /nfs/dbraw/zinc/61/86/94/757618694.db2.gz KRMYRQRDALWEHR-UHFFFAOYSA-N 2 1 346.313 2.063 20 30 EEEDMP C=CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001075390937 757892611 /nfs/dbraw/zinc/89/26/11/757892611.db2.gz RAZPJPNDXHZZPS-MJGOQNOKSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001075454309 760712043 /nfs/dbraw/zinc/71/20/43/760712043.db2.gz QIUANGBLOZJPLA-GOSISDBHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)CC1 ZINC001075454309 760712050 /nfs/dbraw/zinc/71/20/50/760712050.db2.gz QIUANGBLOZJPLA-GOSISDBHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)CC1 ZINC001075454309 760712058 /nfs/dbraw/zinc/71/20/58/760712058.db2.gz QIUANGBLOZJPLA-GOSISDBHSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001104683596 764747875 /nfs/dbraw/zinc/74/78/75/764747875.db2.gz NCKQHDPCFMVYIN-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001026494409 769340229 /nfs/dbraw/zinc/34/02/29/769340229.db2.gz NKYPIOKEUHDMMT-AOCRQIFASA-N 2 1 331.504 2.291 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088164087 783008822 /nfs/dbraw/zinc/00/88/22/783008822.db2.gz UWXIKMSGGAJEPN-UXHICEINSA-N 2 1 345.531 2.465 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980221679 774114476 /nfs/dbraw/zinc/11/44/76/774114476.db2.gz RVXIAKFKQUPFIN-XUVXKRRUSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(=C)C)C[C@H]3C2)CC1 ZINC000980255833 774198803 /nfs/dbraw/zinc/19/88/03/774198803.db2.gz PNYWIDFGYAZWGA-XUVXKRRUSA-N 2 1 343.515 2.124 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCC=C)C[C@H]3C2)CC1 ZINC000980258519 774204184 /nfs/dbraw/zinc/20/41/84/774204184.db2.gz WJJXBNWMCSUSBI-VAMGGRTRSA-N 2 1 343.515 2.124 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779427 783190687 /nfs/dbraw/zinc/19/06/87/783190687.db2.gz ORPCXVSFLZEHRH-AKHDSKFASA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779427 783190695 /nfs/dbraw/zinc/19/06/95/783190695.db2.gz ORPCXVSFLZEHRH-AKHDSKFASA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779427 783190699 /nfs/dbraw/zinc/19/06/99/783190699.db2.gz ORPCXVSFLZEHRH-AKHDSKFASA-N 2 1 333.520 2.321 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000981813457 778260051 /nfs/dbraw/zinc/26/00/51/778260051.db2.gz KMMBKDUXTDEICC-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813457 778260057 /nfs/dbraw/zinc/26/00/57/778260057.db2.gz KMMBKDUXTDEICC-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813457 778260059 /nfs/dbraw/zinc/26/00/59/778260059.db2.gz KMMBKDUXTDEICC-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2occc2C[NH+](C)C)C1 ZINC001089856653 778337255 /nfs/dbraw/zinc/33/72/55/778337255.db2.gz ULSNNUHKEUBUNM-DKIMLUQUSA-N 2 1 343.471 2.310 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001028151867 778521638 /nfs/dbraw/zinc/52/16/38/778521638.db2.gz IXUJERXVQRTLCA-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151867 778521640 /nfs/dbraw/zinc/52/16/40/778521640.db2.gz IXUJERXVQRTLCA-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151867 778521642 /nfs/dbraw/zinc/52/16/42/778521642.db2.gz IXUJERXVQRTLCA-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982473427 779096346 /nfs/dbraw/zinc/09/63/46/779096346.db2.gz WGJMIEQILPTBIY-YSIASYRMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982473427 779096348 /nfs/dbraw/zinc/09/63/48/779096348.db2.gz WGJMIEQILPTBIY-YSIASYRMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982473427 779096351 /nfs/dbraw/zinc/09/63/51/779096351.db2.gz WGJMIEQILPTBIY-YSIASYRMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982308079 779669788 /nfs/dbraw/zinc/66/97/88/779669788.db2.gz MRBGLLSQPNWHGO-NXHRZFHOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982308079 779669794 /nfs/dbraw/zinc/66/97/94/779669794.db2.gz MRBGLLSQPNWHGO-NXHRZFHOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308079 779669797 /nfs/dbraw/zinc/66/97/97/779669797.db2.gz MRBGLLSQPNWHGO-NXHRZFHOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308079 779669805 /nfs/dbraw/zinc/66/98/05/779669805.db2.gz MRBGLLSQPNWHGO-NXHRZFHOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088861032 790882289 /nfs/dbraw/zinc/88/22/89/790882289.db2.gz MKIQKEKXBLXOCY-KYJSFNMBSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088861032 790882296 /nfs/dbraw/zinc/88/22/96/790882296.db2.gz MKIQKEKXBLXOCY-KYJSFNMBSA-N 2 1 330.476 2.299 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001203437877 781590585 /nfs/dbraw/zinc/59/05/85/781590585.db2.gz VPXQUTFUAVLJOM-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135436902 783766334 /nfs/dbraw/zinc/76/63/34/783766334.db2.gz FIDUXQNHJDVNFR-UHFFFAOYSA-N 2 1 348.466 2.415 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035195793 784089071 /nfs/dbraw/zinc/08/90/71/784089071.db2.gz KFECPDVIJLWRLP-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035195793 784089077 /nfs/dbraw/zinc/08/90/77/784089077.db2.gz KFECPDVIJLWRLP-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035195793 784089083 /nfs/dbraw/zinc/08/90/83/784089083.db2.gz KFECPDVIJLWRLP-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](C[C@H](C)CC)C2)CC1 ZINC001035724500 785022536 /nfs/dbraw/zinc/02/25/36/785022536.db2.gz JKSRUVXXRCAJMM-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](C[C@H](C)CC)C2)CC1 ZINC001035724500 785022541 /nfs/dbraw/zinc/02/25/41/785022541.db2.gz JKSRUVXXRCAJMM-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000996730396 787329528 /nfs/dbraw/zinc/32/95/28/787329528.db2.gz SAXIEARMJFBKCK-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC000997148647 789142086 /nfs/dbraw/zinc/14/20/86/789142086.db2.gz HBOGFABJUOKKNM-SCTDSRPQSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC000997148647 789142091 /nfs/dbraw/zinc/14/20/91/789142091.db2.gz HBOGFABJUOKKNM-SCTDSRPQSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C/C=C/Cl)CC1 ZINC000997150340 789167626 /nfs/dbraw/zinc/16/76/26/789167626.db2.gz XIEIFSZEXSCFLD-IZVQQQLMSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C/C=C/Cl)CC1 ZINC000997150340 789167631 /nfs/dbraw/zinc/16/76/31/789167631.db2.gz XIEIFSZEXSCFLD-IZVQQQLMSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC000997150201 789172944 /nfs/dbraw/zinc/17/29/44/789172944.db2.gz WKQXIRKJCUSPAJ-JZXOWHBKSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC000997150201 789172949 /nfs/dbraw/zinc/17/29/49/789172949.db2.gz WKQXIRKJCUSPAJ-JZXOWHBKSA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000997185226 789377679 /nfs/dbraw/zinc/37/76/79/789377679.db2.gz ZLJIJNFCYRJFRU-RHSMWYFYSA-N 2 1 342.487 2.063 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946901869 789566209 /nfs/dbraw/zinc/56/62/09/789566209.db2.gz GXVWQYCKVVEMKZ-CADBVGFASA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001089906882 789689160 /nfs/dbraw/zinc/68/91/60/789689160.db2.gz KGWBFOXSBNISJQ-VJANTYMQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001089906882 789689164 /nfs/dbraw/zinc/68/91/64/789689164.db2.gz KGWBFOXSBNISJQ-VJANTYMQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089908302 789783360 /nfs/dbraw/zinc/78/33/60/789783360.db2.gz SNOBTSQNZKHPNA-MANSERQUSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000997832811 791251906 /nfs/dbraw/zinc/25/19/06/791251906.db2.gz VXBULRZSEUZCIU-FQEVSTJZSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000997832811 791251909 /nfs/dbraw/zinc/25/19/09/791251909.db2.gz VXBULRZSEUZCIU-FQEVSTJZSA-N 2 1 339.483 2.112 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146594829 791366554 /nfs/dbraw/zinc/36/65/54/791366554.db2.gz VHRVLCRRQQXLGL-ROUUACIJSA-N 2 1 329.488 2.251 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001171307295 791851448 /nfs/dbraw/zinc/85/14/48/791851448.db2.gz HWWBYBMUHPTAGI-SELBCVKXSA-N 2 1 325.884 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001171307295 791851453 /nfs/dbraw/zinc/85/14/53/791851453.db2.gz HWWBYBMUHPTAGI-SELBCVKXSA-N 2 1 325.884 2.101 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902740 806179155 /nfs/dbraw/zinc/17/91/55/806179155.db2.gz YNLNLERPNDYMCK-FPAYPSAMSA-N 2 1 349.519 2.173 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086927106 793006228 /nfs/dbraw/zinc/00/62/28/793006228.db2.gz SEVNIVYOPDJBMQ-KRWDZBQOSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC000992172634 793054296 /nfs/dbraw/zinc/05/42/96/793054296.db2.gz ALAPOBFMGSCXLD-SZVBFZGTSA-N 2 1 328.460 2.053 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC000992172634 793054308 /nfs/dbraw/zinc/05/43/08/793054308.db2.gz ALAPOBFMGSCXLD-SZVBFZGTSA-N 2 1 328.460 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992301034 793575114 /nfs/dbraw/zinc/57/51/14/793575114.db2.gz NRCUJEDDNUHPQJ-CMKODMSKSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@]2(C)C1 ZINC001092232828 793702509 /nfs/dbraw/zinc/70/25/09/793702509.db2.gz CZULVPOCLABFRM-HOJAQTOUSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@]2(C)C1 ZINC001092232828 793702513 /nfs/dbraw/zinc/70/25/13/793702513.db2.gz CZULVPOCLABFRM-HOJAQTOUSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@]2(C)C1 ZINC001092232828 793702517 /nfs/dbraw/zinc/70/25/17/793702517.db2.gz CZULVPOCLABFRM-HOJAQTOUSA-N 2 1 331.504 2.219 20 30 EEEDMP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261661363 794093964 /nfs/dbraw/zinc/09/39/64/794093964.db2.gz AUPAXRXHZWBZCH-RGIVZKHGSA-N 2 1 326.488 2.265 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001036737133 794694107 /nfs/dbraw/zinc/69/41/07/794694107.db2.gz MDODZAZGXOHBHW-HOCLYGCPSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036737133 794694111 /nfs/dbraw/zinc/69/41/11/794694111.db2.gz MDODZAZGXOHBHW-HOCLYGCPSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036737133 794694112 /nfs/dbraw/zinc/69/41/12/794694112.db2.gz MDODZAZGXOHBHW-HOCLYGCPSA-N 2 1 325.884 2.146 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036754944 794784537 /nfs/dbraw/zinc/78/45/37/794784537.db2.gz OGXCKMUQETZJQP-FUHWJXTLSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036754944 794784543 /nfs/dbraw/zinc/78/45/43/794784543.db2.gz OGXCKMUQETZJQP-FUHWJXTLSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036754944 794784551 /nfs/dbraw/zinc/78/45/51/794784551.db2.gz OGXCKMUQETZJQP-FUHWJXTLSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834410 795339828 /nfs/dbraw/zinc/33/98/28/795339828.db2.gz JNNNWWOMZVTRIO-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834410 795339837 /nfs/dbraw/zinc/33/98/37/795339837.db2.gz JNNNWWOMZVTRIO-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089960122 795619007 /nfs/dbraw/zinc/61/90/07/795619007.db2.gz YOKNQPCOCGRIEV-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089960122 795619010 /nfs/dbraw/zinc/61/90/10/795619010.db2.gz YOKNQPCOCGRIEV-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089960122 795619011 /nfs/dbraw/zinc/61/90/11/795619011.db2.gz YOKNQPCOCGRIEV-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C/Cl)CC2 ZINC001094436604 796242277 /nfs/dbraw/zinc/24/22/77/796242277.db2.gz YKHZSEWTZDNZTG-ZBLFTQAYSA-N 2 1 349.906 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C/Cl)CC2 ZINC001094436604 796242284 /nfs/dbraw/zinc/24/22/84/796242284.db2.gz YKHZSEWTZDNZTG-ZBLFTQAYSA-N 2 1 349.906 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](C/C=C/Cl)CC2 ZINC001094436604 796242289 /nfs/dbraw/zinc/24/22/89/796242289.db2.gz YKHZSEWTZDNZTG-ZBLFTQAYSA-N 2 1 349.906 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](C/C=C/Cl)CC2 ZINC001094436604 796242302 /nfs/dbraw/zinc/24/23/02/796242302.db2.gz YKHZSEWTZDNZTG-ZBLFTQAYSA-N 2 1 349.906 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC001094557208 796433621 /nfs/dbraw/zinc/43/36/21/796433621.db2.gz MLCONWGGAZHHNA-TZIWHRDSSA-N 2 1 343.515 2.102 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081028670 796553264 /nfs/dbraw/zinc/55/32/64/796553264.db2.gz VCPWRGYQAGQGSH-NVXWUHKLSA-N 2 1 331.460 2.195 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081028670 796553268 /nfs/dbraw/zinc/55/32/68/796553268.db2.gz VCPWRGYQAGQGSH-NVXWUHKLSA-N 2 1 331.460 2.195 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H]1C ZINC000994141827 797357278 /nfs/dbraw/zinc/35/72/78/797357278.db2.gz ADWHJGYFSJOBDY-QFBILLFUSA-N 2 1 336.439 2.478 20 30 EEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001175387797 798092227 /nfs/dbraw/zinc/09/22/27/798092227.db2.gz CEFHBOZLGLPONN-SXLOBPIMSA-N 2 1 341.499 2.230 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346754 798161401 /nfs/dbraw/zinc/16/14/01/798161401.db2.gz ZNZNPLTUBSWNMH-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346754 798161407 /nfs/dbraw/zinc/16/14/07/798161407.db2.gz ZNZNPLTUBSWNMH-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346754 798161410 /nfs/dbraw/zinc/16/14/10/798161410.db2.gz ZNZNPLTUBSWNMH-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101469 798674767 /nfs/dbraw/zinc/67/47/67/798674767.db2.gz MKLPTOMFVBFLFQ-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001177339360 798872838 /nfs/dbraw/zinc/87/28/38/798872838.db2.gz DECTVBIUIJAPJO-GOSISDBHSA-N 2 1 342.487 2.392 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001177342375 798876455 /nfs/dbraw/zinc/87/64/55/798876455.db2.gz LLTSYPRILQNKDE-LJQANCHMSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001181565882 800843599 /nfs/dbraw/zinc/84/35/99/800843599.db2.gz RYZXPEUMFWQUHF-LSBZLQRGSA-N 2 1 345.491 2.050 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001181565882 800843605 /nfs/dbraw/zinc/84/36/05/800843605.db2.gz RYZXPEUMFWQUHF-LSBZLQRGSA-N 2 1 345.491 2.050 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094789 801578486 /nfs/dbraw/zinc/57/84/86/801578486.db2.gz JQKLIHOXOVIMPA-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094789 801578492 /nfs/dbraw/zinc/57/84/92/801578492.db2.gz JQKLIHOXOVIMPA-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033094789 801578496 /nfs/dbraw/zinc/57/84/96/801578496.db2.gz JQKLIHOXOVIMPA-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033094789 801578501 /nfs/dbraw/zinc/57/85/01/801578501.db2.gz JQKLIHOXOVIMPA-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591101 801597231 /nfs/dbraw/zinc/59/72/31/801597231.db2.gz NXUGMHHESRAAHA-OTWHNJEPSA-N 2 1 331.504 2.075 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004478931 802182337 /nfs/dbraw/zinc/18/23/37/802182337.db2.gz ZAVDJSUIYWRWBA-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086109908 802199892 /nfs/dbraw/zinc/19/98/92/802199892.db2.gz LDMYFTTWLAXDTK-OTWHNJEPSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086109908 802199897 /nfs/dbraw/zinc/19/98/97/802199897.db2.gz LDMYFTTWLAXDTK-OTWHNJEPSA-N 2 1 331.504 2.149 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621095 802255416 /nfs/dbraw/zinc/25/54/16/802255416.db2.gz KAFMJGLLDBLCRI-CEXWTWQISA-N 2 1 333.520 2.321 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621095 802255420 /nfs/dbraw/zinc/25/54/20/802255420.db2.gz KAFMJGLLDBLCRI-CEXWTWQISA-N 2 1 333.520 2.321 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621095 802255424 /nfs/dbraw/zinc/25/54/24/802255424.db2.gz KAFMJGLLDBLCRI-CEXWTWQISA-N 2 1 333.520 2.321 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004521063 802282388 /nfs/dbraw/zinc/28/23/88/802282388.db2.gz FKMXBJOXNNVQGM-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100082501 802954813 /nfs/dbraw/zinc/95/48/13/802954813.db2.gz COMJAPMCJMVINJ-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082501 802954816 /nfs/dbraw/zinc/95/48/16/802954816.db2.gz COMJAPMCJMVINJ-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082501 802954820 /nfs/dbraw/zinc/95/48/20/802954820.db2.gz COMJAPMCJMVINJ-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001108280708 803077487 /nfs/dbraw/zinc/07/74/87/803077487.db2.gz XPZAIWHIFDNAKU-FQEVSTJZSA-N 2 1 345.487 2.145 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287371 803187056 /nfs/dbraw/zinc/18/70/56/803187056.db2.gz RQBPCOWWDIDNMU-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349471 803336741 /nfs/dbraw/zinc/33/67/41/803336741.db2.gz HDYAZSFSNXRNPK-HKUYNNGSSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001129771447 810994559 /nfs/dbraw/zinc/99/45/59/810994559.db2.gz XRUUCVYZFIXSRP-JXFKEZNVSA-N 2 1 339.483 2.040 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001129771447 810994564 /nfs/dbraw/zinc/99/45/64/810994564.db2.gz XRUUCVYZFIXSRP-JXFKEZNVSA-N 2 1 339.483 2.040 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001131464579 812865591 /nfs/dbraw/zinc/86/55/91/812865591.db2.gz WGCHHAYRWMAZBZ-QYZOEREBSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001131512031 812928519 /nfs/dbraw/zinc/92/85/19/812928519.db2.gz JYTDBNQDDXIYPA-QUCCMNQESA-N 2 1 349.519 2.033 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437323968 1089488594 /nfs/dbraw/zinc/48/85/94/1089488594.db2.gz DXTAURZSMRETAI-RBUKOAKNSA-N 2 1 342.487 2.417 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001441937058 1096130410 /nfs/dbraw/zinc/13/04/10/1096130410.db2.gz RRGDGEYTAZWNKK-OALUTQOASA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001479673010 1098721774 /nfs/dbraw/zinc/72/17/74/1098721774.db2.gz SJTLLILLJMVOSN-CVEARBPZSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001479673010 1098721783 /nfs/dbraw/zinc/72/17/83/1098721783.db2.gz SJTLLILLJMVOSN-CVEARBPZSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001479673010 1098721789 /nfs/dbraw/zinc/72/17/89/1098721789.db2.gz SJTLLILLJMVOSN-CVEARBPZSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001479673010 1098721798 /nfs/dbraw/zinc/72/17/98/1098721798.db2.gz SJTLLILLJMVOSN-CVEARBPZSA-N 2 1 327.900 2.251 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001494916996 1104554233 /nfs/dbraw/zinc/55/42/33/1104554233.db2.gz FFRPBGYBPKPUMO-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001494916996 1104554238 /nfs/dbraw/zinc/55/42/38/1104554238.db2.gz FFRPBGYBPKPUMO-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001494916996 1104554242 /nfs/dbraw/zinc/55/42/42/1104554242.db2.gz FFRPBGYBPKPUMO-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001499577419 1112383271 /nfs/dbraw/zinc/38/32/71/1112383271.db2.gz VFFDTVSRGIXLOJ-QGZVFWFLSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001499577419 1112383277 /nfs/dbraw/zinc/38/32/77/1112383277.db2.gz VFFDTVSRGIXLOJ-QGZVFWFLSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001499577419 1112383283 /nfs/dbraw/zinc/38/32/83/1112383283.db2.gz VFFDTVSRGIXLOJ-QGZVFWFLSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001499577419 1112383288 /nfs/dbraw/zinc/38/32/88/1112383288.db2.gz VFFDTVSRGIXLOJ-QGZVFWFLSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001507287143 1115175059 /nfs/dbraw/zinc/17/50/59/1115175059.db2.gz DPZCHIFNLRZRFU-FUHWJXTLSA-N 2 1 349.906 2.492 20 30 EEEDMP CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000329324315 539771603 /nfs/dbraw/zinc/77/16/03/539771603.db2.gz VMKADTQFQFBWLA-ZDUSSCGKSA-N 2 1 331.464 2.052 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccccc1C#N ZINC000374424030 167039938 /nfs/dbraw/zinc/03/99/38/167039938.db2.gz YEAGQYRRVJNLFC-ZHALLVOQSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccccc1C#N ZINC000374424030 167039940 /nfs/dbraw/zinc/03/99/40/167039940.db2.gz YEAGQYRRVJNLFC-ZHALLVOQSA-N 2 1 329.444 2.121 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671585 782046848 /nfs/dbraw/zinc/04/68/48/782046848.db2.gz FTGHYADICSOMCF-RBUKOAKNSA-N 2 1 327.472 2.007 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C ZINC000336879079 465075270 /nfs/dbraw/zinc/07/52/70/465075270.db2.gz LCUACGSMEYKWMK-NJAFHUGGSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C ZINC000336879079 465075274 /nfs/dbraw/zinc/07/52/74/465075274.db2.gz LCUACGSMEYKWMK-NJAFHUGGSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C ZINC000336879079 465075277 /nfs/dbraw/zinc/07/52/77/465075277.db2.gz LCUACGSMEYKWMK-NJAFHUGGSA-N 2 1 331.460 2.103 20 30 EEEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000104166524 463408848 /nfs/dbraw/zinc/40/88/48/463408848.db2.gz GNSUKKIHJHQCBV-RDJZCZTQSA-N 2 1 348.491 2.161 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000177837840 463802254 /nfs/dbraw/zinc/80/22/54/463802254.db2.gz ZXWRKAHPUVDVFN-MJGOQNOKSA-N 2 1 332.488 2.428 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000177837840 463802262 /nfs/dbraw/zinc/80/22/62/463802262.db2.gz ZXWRKAHPUVDVFN-MJGOQNOKSA-N 2 1 332.488 2.428 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000177837840 463802268 /nfs/dbraw/zinc/80/22/68/463802268.db2.gz ZXWRKAHPUVDVFN-MJGOQNOKSA-N 2 1 332.488 2.428 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000177837840 463802274 /nfs/dbraw/zinc/80/22/74/463802274.db2.gz ZXWRKAHPUVDVFN-MJGOQNOKSA-N 2 1 332.488 2.428 20 30 EEEDMP CC[N@@H+]1CCC[C@H]1CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278594987 463972381 /nfs/dbraw/zinc/97/23/81/463972381.db2.gz HHZLBMCEHGAODA-SFHVURJKSA-N 2 1 338.459 2.433 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278594987 463972388 /nfs/dbraw/zinc/97/23/88/463972388.db2.gz HHZLBMCEHGAODA-SFHVURJKSA-N 2 1 338.459 2.433 20 30 EEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N[C@H](C)COC)c1cccc(OC)c1 ZINC000264060793 464278242 /nfs/dbraw/zinc/27/82/42/464278242.db2.gz CSZWFOUICHKNFJ-RHSMWYFYSA-N 2 1 336.480 2.017 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000264425699 464321671 /nfs/dbraw/zinc/32/16/71/464321671.db2.gz SHZFTLLBOQAVOT-LJQANCHMSA-N 2 1 342.487 2.211 20 30 EEEDMP CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000329792905 465436387 /nfs/dbraw/zinc/43/63/87/465436387.db2.gz AMESRLMOSXSAMM-BZUAXINKSA-N 2 1 333.480 2.479 20 30 EEEDMP CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000329792905 465436394 /nfs/dbraw/zinc/43/63/94/465436394.db2.gz AMESRLMOSXSAMM-BZUAXINKSA-N 2 1 333.480 2.479 20 30 EEEDMP CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000329792905 465436399 /nfs/dbraw/zinc/43/63/99/465436399.db2.gz AMESRLMOSXSAMM-BZUAXINKSA-N 2 1 333.480 2.479 20 30 EEEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000329792905 465436409 /nfs/dbraw/zinc/43/64/09/465436409.db2.gz AMESRLMOSXSAMM-BZUAXINKSA-N 2 1 333.480 2.479 20 30 EEEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000329792905 465436412 /nfs/dbraw/zinc/43/64/12/465436412.db2.gz AMESRLMOSXSAMM-BZUAXINKSA-N 2 1 333.480 2.479 20 30 EEEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000329792905 465436421 /nfs/dbraw/zinc/43/64/21/465436421.db2.gz AMESRLMOSXSAMM-BZUAXINKSA-N 2 1 333.480 2.479 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000330308423 465607626 /nfs/dbraw/zinc/60/76/26/465607626.db2.gz SSZUQRMKONGYII-CYBMUJFWSA-N 2 1 344.463 2.259 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000330308423 465607630 /nfs/dbraw/zinc/60/76/30/465607630.db2.gz SSZUQRMKONGYII-CYBMUJFWSA-N 2 1 344.463 2.259 20 30 EEEDMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000374172786 467022765 /nfs/dbraw/zinc/02/27/65/467022765.db2.gz LWTSRGNKQGQCBG-GOSISDBHSA-N 2 1 343.471 2.106 20 30 EEEDMP C#CCOc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378368921 467282011 /nfs/dbraw/zinc/28/20/11/467282011.db2.gz HYWBWSXRBVGEDX-QWFCFKBJSA-N 2 1 328.456 2.382 20 30 EEEDMP C#CCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378368921 467282015 /nfs/dbraw/zinc/28/20/15/467282015.db2.gz HYWBWSXRBVGEDX-QWFCFKBJSA-N 2 1 328.456 2.382 20 30 EEEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583508551 468708709 /nfs/dbraw/zinc/70/87/09/468708709.db2.gz NNCPJFVJQUSLAP-IBGZPJMESA-N 2 1 342.487 2.202 20 30 EEEDMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1OCCCC#N ZINC000598917617 469048051 /nfs/dbraw/zinc/04/80/51/469048051.db2.gz AOBKHSSRKHEUCF-UHFFFAOYSA-N 2 1 328.416 2.444 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087734986 782155703 /nfs/dbraw/zinc/15/57/03/782155703.db2.gz JUSVHRNLIRMAOA-FUMNGEBKSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087734986 782155707 /nfs/dbraw/zinc/15/57/07/782155707.db2.gz JUSVHRNLIRMAOA-FUMNGEBKSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087734986 782155711 /nfs/dbraw/zinc/15/57/11/782155711.db2.gz JUSVHRNLIRMAOA-FUMNGEBKSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000171736782 526427812 /nfs/dbraw/zinc/42/78/12/526427812.db2.gz CSDBBLRSRFEZJU-IBGZPJMESA-N 2 1 342.487 2.335 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000171736782 526427816 /nfs/dbraw/zinc/42/78/16/526427816.db2.gz CSDBBLRSRFEZJU-IBGZPJMESA-N 2 1 342.487 2.335 20 30 EEEDMP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C#N ZINC000742370653 577872051 /nfs/dbraw/zinc/87/20/51/577872051.db2.gz HBQQIQGSVNPWRR-SFHVURJKSA-N 2 1 329.444 2.300 20 30 EEEDMP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000120316655 674904675 /nfs/dbraw/zinc/90/46/75/674904675.db2.gz GMAMOMBHQIVLQA-KSZLIROESA-N 2 1 341.499 2.392 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000970799712 676157430 /nfs/dbraw/zinc/15/74/30/676157430.db2.gz HDDZPMGXTUTZDG-RHSMWYFYSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000969864590 675265816 /nfs/dbraw/zinc/26/58/16/675265816.db2.gz DQXREWFENVWJDP-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000969864590 675265817 /nfs/dbraw/zinc/26/58/17/675265817.db2.gz DQXREWFENVWJDP-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969864567 675265890 /nfs/dbraw/zinc/26/58/90/675265890.db2.gz DCOLEHOJJIKUFP-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969864567 675265893 /nfs/dbraw/zinc/26/58/93/675265893.db2.gz DCOLEHOJJIKUFP-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000969869403 675270636 /nfs/dbraw/zinc/27/06/36/675270636.db2.gz QLFRHMPYKBFQIF-APWZRJJASA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000969869403 675270639 /nfs/dbraw/zinc/27/06/39/675270639.db2.gz QLFRHMPYKBFQIF-APWZRJJASA-N 2 1 329.488 2.021 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139218 675643148 /nfs/dbraw/zinc/64/31/48/675643148.db2.gz FRMGWRRJFDPRTG-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039139218 675643149 /nfs/dbraw/zinc/64/31/49/675643149.db2.gz FRMGWRRJFDPRTG-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039139218 675643151 /nfs/dbraw/zinc/64/31/51/675643151.db2.gz FRMGWRRJFDPRTG-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155822 675718270 /nfs/dbraw/zinc/71/82/70/675718270.db2.gz DRQYGRWDLCEWJA-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971845676 676881854 /nfs/dbraw/zinc/88/18/54/676881854.db2.gz YQJKDZWANNAMNV-JKSUJKDBSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000971845676 676881856 /nfs/dbraw/zinc/88/18/56/676881856.db2.gz YQJKDZWANNAMNV-JKSUJKDBSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845676 676881858 /nfs/dbraw/zinc/88/18/58/676881858.db2.gz YQJKDZWANNAMNV-JKSUJKDBSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845676 676881859 /nfs/dbraw/zinc/88/18/59/676881859.db2.gz YQJKDZWANNAMNV-JKSUJKDBSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001023588820 679397622 /nfs/dbraw/zinc/39/76/22/679397622.db2.gz MJMMGCXYZZCFGT-INIZCTEOSA-N 2 1 346.475 2.288 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001023588820 679397624 /nfs/dbraw/zinc/39/76/24/679397624.db2.gz MJMMGCXYZZCFGT-INIZCTEOSA-N 2 1 346.475 2.288 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588970 679398207 /nfs/dbraw/zinc/39/82/07/679398207.db2.gz QGDRBEDPALEQRK-LJQANCHMSA-N 2 1 341.499 2.256 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CC(C)C2)CC1 ZINC001024813293 681466242 /nfs/dbraw/zinc/46/62/42/681466242.db2.gz YNQLMJCMSFXEMU-AFMYVXGZSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025259427 682338412 /nfs/dbraw/zinc/33/84/12/682338412.db2.gz NGFSZZLRQZPTHA-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025451520 682785916 /nfs/dbraw/zinc/78/59/16/682785916.db2.gz HRHSLUNXAUAINL-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001025577136 683034457 /nfs/dbraw/zinc/03/44/57/683034457.db2.gz QHZPZDLFPQZQLU-CVEARBPZSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001025577136 683034461 /nfs/dbraw/zinc/03/44/61/683034461.db2.gz QHZPZDLFPQZQLU-CVEARBPZSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978639491 693764473 /nfs/dbraw/zinc/76/44/73/693764473.db2.gz OSBKKSOWLJMCGU-YSTOQKLRSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978639491 693764475 /nfs/dbraw/zinc/76/44/75/693764475.db2.gz OSBKKSOWLJMCGU-YSTOQKLRSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978639491 693764478 /nfs/dbraw/zinc/76/44/78/693764478.db2.gz OSBKKSOWLJMCGU-YSTOQKLRSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975062786 686091023 /nfs/dbraw/zinc/09/10/23/686091023.db2.gz ONIRQMRVPNCWSP-LJQANCHMSA-N 2 1 341.499 2.254 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985327034 686327581 /nfs/dbraw/zinc/32/75/81/686327581.db2.gz ANYPGSZUXFABAV-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000985327034 686327590 /nfs/dbraw/zinc/32/75/90/686327590.db2.gz ANYPGSZUXFABAV-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000985327034 686327597 /nfs/dbraw/zinc/32/75/97/686327597.db2.gz ANYPGSZUXFABAV-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N1CCC(O)CC1 ZINC000262796548 688485280 /nfs/dbraw/zinc/48/52/80/688485280.db2.gz PPPYSSPNMACMBT-QGZVFWFLSA-N 2 1 336.524 2.063 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCC3CCCC3)CC2)CC1 ZINC000989734954 692230876 /nfs/dbraw/zinc/23/08/76/692230876.db2.gz LSQFCTRKKZVXTK-UHFFFAOYSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622784 692857819 /nfs/dbraw/zinc/85/78/19/692857819.db2.gz SNRWPKRNCSPTLN-SFHVURJKSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977662565 692898729 /nfs/dbraw/zinc/89/87/29/692898729.db2.gz PIAGXHCGPLDWMT-KRWDZBQOSA-N 2 1 331.460 2.195 20 30 EEEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977662565 692898730 /nfs/dbraw/zinc/89/87/30/692898730.db2.gz PIAGXHCGPLDWMT-KRWDZBQOSA-N 2 1 331.460 2.195 20 30 EEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001027576865 693161253 /nfs/dbraw/zinc/16/12/53/693161253.db2.gz YTMKKSLPHHMVNS-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001027576865 693161257 /nfs/dbraw/zinc/16/12/57/693161257.db2.gz YTMKKSLPHHMVNS-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001107039306 1192995936 /nfs/dbraw/zinc/99/59/36/1192995936.db2.gz QLPDCVAQRLYERA-VQIMIIECSA-N 2 1 342.487 2.083 20 30 EEEDMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001481780119 1182683428 /nfs/dbraw/zinc/68/34/28/1182683428.db2.gz ZFQZUPVCXJDUKA-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001481780119 1182683435 /nfs/dbraw/zinc/68/34/35/1182683435.db2.gz ZFQZUPVCXJDUKA-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001481780119 1182683441 /nfs/dbraw/zinc/68/34/41/1182683441.db2.gz ZFQZUPVCXJDUKA-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001481780119 1182683446 /nfs/dbraw/zinc/68/34/46/1182683446.db2.gz ZFQZUPVCXJDUKA-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001088737418 1188397762 /nfs/dbraw/zinc/39/77/62/1188397762.db2.gz SWJANCPMNHVUSB-ZBFHGGJFSA-N 2 1 325.416 2.036 20 30 EEEDMP C[NH+]1CCC(C[N@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001272888261 1193592116 /nfs/dbraw/zinc/59/21/16/1193592116.db2.gz SYECBCYURNJGLM-IBGZPJMESA-N 2 1 332.492 2.089 20 30 EEEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001483266190 1190291349 /nfs/dbraw/zinc/29/13/49/1190291349.db2.gz GIOUYROKNSTEKQ-HNNXBMFYSA-N 2 1 330.476 2.130 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485264216 1191710172 /nfs/dbraw/zinc/71/01/72/1191710172.db2.gz CVZAMFWVLZKNCU-SFHVURJKSA-N 2 1 342.487 2.084 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033775855 1195258257 /nfs/dbraw/zinc/25/82/57/1195258257.db2.gz OHGXRNQBOKTCAF-RHSMWYFYSA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033775855 1195258262 /nfs/dbraw/zinc/25/82/62/1195258262.db2.gz OHGXRNQBOKTCAF-RHSMWYFYSA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033775855 1195258267 /nfs/dbraw/zinc/25/82/67/1195258267.db2.gz OHGXRNQBOKTCAF-RHSMWYFYSA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033775855 1195258270 /nfs/dbraw/zinc/25/82/70/1195258270.db2.gz OHGXRNQBOKTCAF-RHSMWYFYSA-N 2 1 346.500 2.137 20 30 EEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034361037 1196148544 /nfs/dbraw/zinc/14/85/44/1196148544.db2.gz CMNLQIDXUKNKHL-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034361037 1196148546 /nfs/dbraw/zinc/14/85/46/1196148546.db2.gz CMNLQIDXUKNKHL-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034361037 1196148548 /nfs/dbraw/zinc/14/85/48/1196148548.db2.gz CMNLQIDXUKNKHL-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034361037 1196148551 /nfs/dbraw/zinc/14/85/51/1196148551.db2.gz CMNLQIDXUKNKHL-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034405868 1196177858 /nfs/dbraw/zinc/17/78/58/1196177858.db2.gz VZUYULQPMLMTEQ-IBGZPJMESA-N 2 1 327.472 2.008 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCC(=C)C)C2)CC1 ZINC001034539201 1196363903 /nfs/dbraw/zinc/36/39/03/1196363903.db2.gz XLIXWGJCCWPOQH-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000877031726 1199849264 /nfs/dbraw/zinc/84/92/64/1199849264.db2.gz UPQWWCWZLVHCII-AEFFLSMTSA-N 2 1 335.492 2.318 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC000887986481 1204526876 /nfs/dbraw/zinc/52/68/76/1204526876.db2.gz ZRYCXLCHIWDNID-IAGOWNOFSA-N 2 1 346.475 2.059 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC000887986481 1204526879 /nfs/dbraw/zinc/52/68/79/1204526879.db2.gz ZRYCXLCHIWDNID-IAGOWNOFSA-N 2 1 346.475 2.059 20 30 EEEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccc(C#N)cn3)CC2)C1 ZINC001275034998 1205240814 /nfs/dbraw/zinc/24/08/14/1205240814.db2.gz UZTSOIFTXUIVCJ-UHFFFAOYSA-N 2 1 341.503 2.193 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccc(F)cc1C#N)CC2 ZINC001275425139 1205355053 /nfs/dbraw/zinc/35/50/53/1205355053.db2.gz LGGOKLHXNSMJGC-UHFFFAOYSA-N 2 1 330.451 2.157 20 30 EEEDMP Cc1ccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(C#N)c1 ZINC001275617255 1205447052 /nfs/dbraw/zinc/44/70/52/1205447052.db2.gz UNENVNURCRRJRF-UHFFFAOYSA-N 2 1 326.488 2.326 20 30 EEEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001275828913 1205554038 /nfs/dbraw/zinc/55/40/38/1205554038.db2.gz LZQKJRDXLXLQRB-HXUWFJFHSA-N 2 1 326.488 2.408 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947908773 1208771240 /nfs/dbraw/zinc/77/12/40/1208771240.db2.gz VHCIPYCEFJFAAS-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000950329949 1210158873 /nfs/dbraw/zinc/15/88/73/1210158873.db2.gz AXSNUXHUIDKENZ-KRWDZBQOSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000950329949 1210158876 /nfs/dbraw/zinc/15/88/76/1210158876.db2.gz AXSNUXHUIDKENZ-KRWDZBQOSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605468 1215249950 /nfs/dbraw/zinc/24/99/50/1215249950.db2.gz DIICTMUXNHONCH-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000960678213 1216787340 /nfs/dbraw/zinc/78/73/40/1216787340.db2.gz XZCNBXKSGWWALH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000960678213 1216787346 /nfs/dbraw/zinc/78/73/46/1216787346.db2.gz XZCNBXKSGWWALH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960678213 1216787353 /nfs/dbraw/zinc/78/73/53/1216787353.db2.gz XZCNBXKSGWWALH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960678213 1216787360 /nfs/dbraw/zinc/78/73/60/1216787360.db2.gz XZCNBXKSGWWALH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961192877 1217080219 /nfs/dbraw/zinc/08/02/19/1217080219.db2.gz DBEUAZVZGIVNIM-RBUKOAKNSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CC[NH+](C)C ZINC000961342312 1217150237 /nfs/dbraw/zinc/15/02/37/1217150237.db2.gz LYCLFEDHDFXMGF-BWTSREIZSA-N 2 1 327.472 2.027 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961372437 1217162593 /nfs/dbraw/zinc/16/25/93/1217162593.db2.gz DLYXHZIOQHTAGM-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961372437 1217162596 /nfs/dbraw/zinc/16/25/96/1217162596.db2.gz DLYXHZIOQHTAGM-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961372437 1217162597 /nfs/dbraw/zinc/16/25/97/1217162597.db2.gz DLYXHZIOQHTAGM-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961391736 1217171686 /nfs/dbraw/zinc/17/16/86/1217171686.db2.gz KLUCJOWJUIVLJK-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961410404 1217179502 /nfs/dbraw/zinc/17/95/02/1217179502.db2.gz HNKARFUJIZGFIM-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961410404 1217179504 /nfs/dbraw/zinc/17/95/04/1217179504.db2.gz HNKARFUJIZGFIM-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961410404 1217179506 /nfs/dbraw/zinc/17/95/06/1217179506.db2.gz HNKARFUJIZGFIM-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432209 1217187876 /nfs/dbraw/zinc/18/78/76/1217187876.db2.gz PNXKDCGAPLERPM-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961432209 1217187877 /nfs/dbraw/zinc/18/78/77/1217187877.db2.gz PNXKDCGAPLERPM-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961432209 1217187878 /nfs/dbraw/zinc/18/78/78/1217187878.db2.gz PNXKDCGAPLERPM-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CCC[N@@H+]3CCF)C2)CC1 ZINC000963431632 1217625015 /nfs/dbraw/zinc/62/50/15/1217625015.db2.gz XRYPINWLZHMFQC-RTBURBONSA-N 2 1 349.494 2.004 20 30 EEEDMP N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)c1 ZINC000968915791 1221666340 /nfs/dbraw/zinc/66/63/40/1221666340.db2.gz QTXFHOMEQAHBQY-MSOLQXFVSA-N 2 1 349.438 2.023 20 30 EEEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001020240116 1229574489 /nfs/dbraw/zinc/57/44/89/1229574489.db2.gz WQFLBCRZCRNULO-KZNAEPCWSA-N 2 1 349.438 2.069 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C)cc2)CC1 ZINC001039041804 1230257979 /nfs/dbraw/zinc/25/79/79/1230257979.db2.gz GZDQNRMQKZLMMI-FQEVSTJZSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CCCCC2)CC1 ZINC001039042658 1230259026 /nfs/dbraw/zinc/25/90/26/1230259026.db2.gz VNVGHCQCYUXMQO-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137351 1230349794 /nfs/dbraw/zinc/34/97/94/1230349794.db2.gz GTCPDDWVLBPWLM-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137351 1230349797 /nfs/dbraw/zinc/34/97/97/1230349797.db2.gz GTCPDDWVLBPWLM-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137351 1230349799 /nfs/dbraw/zinc/34/97/99/1230349799.db2.gz GTCPDDWVLBPWLM-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039165245 1230387391 /nfs/dbraw/zinc/38/73/91/1230387391.db2.gz LDPRCTKVEVECQG-FQEVSTJZSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039165938 1230388367 /nfs/dbraw/zinc/38/83/67/1230388367.db2.gz VACZFQSGNFSYPL-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039165938 1230388368 /nfs/dbraw/zinc/38/83/68/1230388368.db2.gz VACZFQSGNFSYPL-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039165938 1230388372 /nfs/dbraw/zinc/38/83/72/1230388372.db2.gz VACZFQSGNFSYPL-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182210 1230409336 /nfs/dbraw/zinc/40/93/36/1230409336.db2.gz LCSHGQDUMBINOU-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182210 1230409338 /nfs/dbraw/zinc/40/93/38/1230409338.db2.gz LCSHGQDUMBINOU-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182210 1230409340 /nfs/dbraw/zinc/40/93/40/1230409340.db2.gz LCSHGQDUMBINOU-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039288632 1230510473 /nfs/dbraw/zinc/51/04/73/1230510473.db2.gz CMPRDMXFWKPGTH-MSRNWOCLSA-N 2 1 331.504 2.384 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039398098 1230581004 /nfs/dbraw/zinc/58/10/04/1230581004.db2.gz LGDGGCBWYIWEKK-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039398098 1230581007 /nfs/dbraw/zinc/58/10/07/1230581007.db2.gz LGDGGCBWYIWEKK-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039398098 1230581011 /nfs/dbraw/zinc/58/10/11/1230581011.db2.gz LGDGGCBWYIWEKK-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001039437763 1230610012 /nfs/dbraw/zinc/61/00/12/1230610012.db2.gz WWRYPSWLAAXQGR-FUHIMQAGSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001039437763 1230610014 /nfs/dbraw/zinc/61/00/14/1230610014.db2.gz WWRYPSWLAAXQGR-FUHIMQAGSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001039437763 1230610015 /nfs/dbraw/zinc/61/00/15/1230610015.db2.gz WWRYPSWLAAXQGR-FUHIMQAGSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C(C)C)C3)CC1 ZINC001040542767 1231283730 /nfs/dbraw/zinc/28/37/30/1231283730.db2.gz LIDVBGUOHRHOKR-FQEVSTJZSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040875353 1231393158 /nfs/dbraw/zinc/39/31/58/1231393158.db2.gz ZNFVGHZZQDXSSS-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041354048 1231516938 /nfs/dbraw/zinc/51/69/38/1231516938.db2.gz LODWKDPIZMSAPT-MRXNPFEDSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041354048 1231516941 /nfs/dbraw/zinc/51/69/41/1231516941.db2.gz LODWKDPIZMSAPT-MRXNPFEDSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001041356168 1231518026 /nfs/dbraw/zinc/51/80/26/1231518026.db2.gz UMULKZNAAIFWIJ-KRWDZBQOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001041356168 1231518027 /nfs/dbraw/zinc/51/80/27/1231518027.db2.gz UMULKZNAAIFWIJ-KRWDZBQOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041356168 1231518030 /nfs/dbraw/zinc/51/80/30/1231518030.db2.gz UMULKZNAAIFWIJ-KRWDZBQOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041356168 1231518031 /nfs/dbraw/zinc/51/80/31/1231518031.db2.gz UMULKZNAAIFWIJ-KRWDZBQOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041632761 1231630980 /nfs/dbraw/zinc/63/09/80/1231630980.db2.gz NFQLVVROJJCQDU-QGZVFWFLSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041632761 1231630982 /nfs/dbraw/zinc/63/09/82/1231630982.db2.gz NFQLVVROJJCQDU-QGZVFWFLSA-N 2 1 325.884 2.005 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847650 1231729959 /nfs/dbraw/zinc/72/99/59/1231729959.db2.gz TZVSAUPCZPAPHN-CTNGQTDRSA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847650 1231729960 /nfs/dbraw/zinc/72/99/60/1231729960.db2.gz TZVSAUPCZPAPHN-CTNGQTDRSA-N 2 1 339.483 2.237 20 30 EEEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001045671193 1233898347 /nfs/dbraw/zinc/89/83/47/1233898347.db2.gz FPNIVDFORGZFLK-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001045673964 1233899318 /nfs/dbraw/zinc/89/93/18/1233899318.db2.gz ZZNSXLJTWCIVEG-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001045673625 1233899351 /nfs/dbraw/zinc/89/93/51/1233899351.db2.gz VTZRCYNPYYGQQA-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045951106 1234217462 /nfs/dbraw/zinc/21/74/62/1234217462.db2.gz UGDCPYRQWSBHIZ-HXUWFJFHSA-N 2 1 343.515 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001045980415 1234271333 /nfs/dbraw/zinc/27/13/33/1234271333.db2.gz YCDLFIZSCLLQKQ-FQEVSTJZSA-N 2 1 342.487 2.415 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046731530 1235123793 /nfs/dbraw/zinc/12/37/93/1235123793.db2.gz LIYLORWXTHBVDX-SFHVURJKSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046731530 1235123797 /nfs/dbraw/zinc/12/37/97/1235123797.db2.gz LIYLORWXTHBVDX-SFHVURJKSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047255386 1235759130 /nfs/dbraw/zinc/75/91/30/1235759130.db2.gz YELUXWNRWPRUDY-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001048975224 1239632674 /nfs/dbraw/zinc/63/26/74/1239632674.db2.gz SFYURDIJOOEQIN-GASCZTMLSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC001000173249 1240023934 /nfs/dbraw/zinc/02/39/34/1240023934.db2.gz DXBZCFZHUKTQAH-KRWDZBQOSA-N 2 1 340.471 2.145 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCc4[nH]cnc43)CC2)CC1 ZINC001000256100 1240104506 /nfs/dbraw/zinc/10/45/06/1240104506.db2.gz KFTWTVWCBUWHDD-MRXNPFEDSA-N 2 1 340.471 2.214 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477884 1241073091 /nfs/dbraw/zinc/07/30/91/1241073091.db2.gz JUJDVRSYGYVPMW-ROUUACIJSA-N 2 1 331.504 2.340 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717432 1241976924 /nfs/dbraw/zinc/97/69/24/1241976924.db2.gz DIBKAGDMCPZVIK-KBAYOESNSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717432 1241976931 /nfs/dbraw/zinc/97/69/31/1241976931.db2.gz DIBKAGDMCPZVIK-KBAYOESNSA-N 2 1 328.460 2.005 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001001466670 1242326989 /nfs/dbraw/zinc/32/69/89/1242326989.db2.gz DDGAQYBXQPRXNF-UHFFFAOYSA-N 2 1 325.456 2.133 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(CC)CC)CC1 ZINC001001491358 1242377542 /nfs/dbraw/zinc/37/75/42/1242377542.db2.gz IBJRIYVMDLOYLY-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(CC)CC)CC1 ZINC001001491358 1242377556 /nfs/dbraw/zinc/37/75/56/1242377556.db2.gz IBJRIYVMDLOYLY-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079641 1243676474 /nfs/dbraw/zinc/67/64/74/1243676474.db2.gz MHXWSUXENMTBPP-AFYVEPGGSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001050545166 1243818919 /nfs/dbraw/zinc/81/89/19/1243818919.db2.gz YGWZJERRXRJNCJ-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)CC1 ZINC001050689277 1244133879 /nfs/dbraw/zinc/13/38/79/1244133879.db2.gz JIOLAAZRDHUKLU-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052957271 1245555229 /nfs/dbraw/zinc/55/52/29/1245555229.db2.gz DPYYBMMTYPIJJA-GOSISDBHSA-N 2 1 327.472 2.356 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342916 1245687728 /nfs/dbraw/zinc/68/77/28/1245687728.db2.gz UMVMJFKNBUBFJI-SCTDSRPQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368797 1245725853 /nfs/dbraw/zinc/72/58/53/1245725853.db2.gz NTFBFSJTHNEHKO-QAPCUYQASA-N 2 1 341.927 2.497 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368797 1245725861 /nfs/dbraw/zinc/72/58/61/1245725861.db2.gz NTFBFSJTHNEHKO-QAPCUYQASA-N 2 1 341.927 2.497 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368797 1245725869 /nfs/dbraw/zinc/72/58/69/1245725869.db2.gz NTFBFSJTHNEHKO-QAPCUYQASA-N 2 1 341.927 2.497 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368797 1245725876 /nfs/dbraw/zinc/72/58/76/1245725876.db2.gz NTFBFSJTHNEHKO-QAPCUYQASA-N 2 1 341.927 2.497 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101428925 1245810194 /nfs/dbraw/zinc/81/01/94/1245810194.db2.gz SQWPCOXCGBEPCM-SBHAEUEKSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C[C@]2(C)C1 ZINC001101428925 1245810203 /nfs/dbraw/zinc/81/02/03/1245810203.db2.gz SQWPCOXCGBEPCM-SBHAEUEKSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C[C@]2(C)C1 ZINC001101428925 1245810212 /nfs/dbraw/zinc/81/02/12/1245810212.db2.gz SQWPCOXCGBEPCM-SBHAEUEKSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CCC)CC1 ZINC001101548907 1245952254 /nfs/dbraw/zinc/95/22/54/1245952254.db2.gz PTSCHKMODDIWTL-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CCC)CC1 ZINC001101548907 1245952259 /nfs/dbraw/zinc/95/22/59/1245952259.db2.gz PTSCHKMODDIWTL-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)CO2 ZINC001053902660 1246988616 /nfs/dbraw/zinc/98/86/16/1246988616.db2.gz GXHHVXZDEHJRKG-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)CO2 ZINC001053902660 1246988623 /nfs/dbraw/zinc/98/86/23/1246988623.db2.gz GXHHVXZDEHJRKG-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384996 1247167536 /nfs/dbraw/zinc/16/75/36/1247167536.db2.gz FODQLUZYVZDHHK-HOTGVXAUSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438853 1247285411 /nfs/dbraw/zinc/28/54/11/1247285411.db2.gz CVKIPMZHAARUKM-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001052438853 1247285422 /nfs/dbraw/zinc/28/54/22/1247285422.db2.gz CVKIPMZHAARUKM-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001052438853 1247285431 /nfs/dbraw/zinc/28/54/31/1247285431.db2.gz CVKIPMZHAARUKM-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054243784 1247855350 /nfs/dbraw/zinc/85/53/50/1247855350.db2.gz OBTCXYKKFMRHDO-OAQYLSRUSA-N 2 1 339.483 2.310 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245601 1247861789 /nfs/dbraw/zinc/86/17/89/1247861789.db2.gz WNECTLUGHDKEDB-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)cc2C1 ZINC001054281490 1248000192 /nfs/dbraw/zinc/00/01/92/1248000192.db2.gz MYSOFZDZMQOICH-BEFAXECRSA-N 2 1 327.472 2.392 20 30 EEEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281490 1248000200 /nfs/dbraw/zinc/00/02/00/1248000200.db2.gz MYSOFZDZMQOICH-BEFAXECRSA-N 2 1 327.472 2.392 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281490 1248000211 /nfs/dbraw/zinc/00/02/11/1248000211.db2.gz MYSOFZDZMQOICH-BEFAXECRSA-N 2 1 327.472 2.392 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135030096 1278118994 /nfs/dbraw/zinc/11/89/94/1278118994.db2.gz XMSRODLSDCTJNK-OLZOCXBDSA-N 2 1 345.472 2.198 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188673927 1279983645 /nfs/dbraw/zinc/98/36/45/1279983645.db2.gz VLVLWZOTODEGKA-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188673927 1279983650 /nfs/dbraw/zinc/98/36/50/1279983650.db2.gz VLVLWZOTODEGKA-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188673927 1279983653 /nfs/dbraw/zinc/98/36/53/1279983653.db2.gz VLVLWZOTODEGKA-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001196163207 1283929550 /nfs/dbraw/zinc/92/95/50/1283929550.db2.gz ITEUDHGPXYVMTL-LJQANCHMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001196163207 1283929554 /nfs/dbraw/zinc/92/95/54/1283929554.db2.gz ITEUDHGPXYVMTL-LJQANCHMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001196163207 1283929558 /nfs/dbraw/zinc/92/95/58/1283929558.db2.gz ITEUDHGPXYVMTL-LJQANCHMSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCC(C)C)C2)CC1 ZINC001072095701 1295238241 /nfs/dbraw/zinc/23/82/41/1295238241.db2.gz MXGQQJYSDQLOKS-MJGOQNOKSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001072800120 1296156219 /nfs/dbraw/zinc/15/62/19/1296156219.db2.gz CQAWHRFZJHUBDN-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001072800120 1296156223 /nfs/dbraw/zinc/15/62/23/1296156223.db2.gz CQAWHRFZJHUBDN-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001072800120 1296156231 /nfs/dbraw/zinc/15/62/31/1296156231.db2.gz CQAWHRFZJHUBDN-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001072800120 1296156237 /nfs/dbraw/zinc/15/62/37/1296156237.db2.gz CQAWHRFZJHUBDN-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220344721 1298368550 /nfs/dbraw/zinc/36/85/50/1298368550.db2.gz HJXMUAAFFVXIKG-SQNIBIBYSA-N 2 1 341.540 2.239 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221662209 1298979311 /nfs/dbraw/zinc/97/93/11/1298979311.db2.gz BPETWBCAHSOEIR-SJLPKXTDSA-N 2 1 328.460 2.017 20 30 EEEDMP C=CCOCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099354740 1299079093 /nfs/dbraw/zinc/07/90/93/1299079093.db2.gz VKFVOSCQXVIKOB-KRWDZBQOSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354740 1299079100 /nfs/dbraw/zinc/07/91/00/1299079100.db2.gz VKFVOSCQXVIKOB-KRWDZBQOSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354740 1299079108 /nfs/dbraw/zinc/07/91/08/1299079108.db2.gz VKFVOSCQXVIKOB-KRWDZBQOSA-N 2 1 339.524 2.136 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099521396 1299179681 /nfs/dbraw/zinc/17/96/81/1299179681.db2.gz QOPICIZKUZQPPB-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CCC)C1 ZINC001099548756 1299209779 /nfs/dbraw/zinc/20/97/79/1299209779.db2.gz ZYYCBLLVRJIWBI-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099548756 1299209793 /nfs/dbraw/zinc/20/97/93/1299209793.db2.gz ZYYCBLLVRJIWBI-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099548756 1299209806 /nfs/dbraw/zinc/20/98/06/1299209806.db2.gz ZYYCBLLVRJIWBI-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001224947323 1300790797 /nfs/dbraw/zinc/79/07/97/1300790797.db2.gz NXOUQODNUXVHRX-UHFFFAOYSA-N 2 1 327.900 2.299 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102473869 1301117374 /nfs/dbraw/zinc/11/73/74/1301117374.db2.gz UHZZTBQJHBHFJF-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC[C@H](C(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1)[NH+](C)C ZINC001227980799 1302039748 /nfs/dbraw/zinc/03/97/48/1302039748.db2.gz WYMMVMSUXPTVCK-GOSISDBHSA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376076 1302862124 /nfs/dbraw/zinc/86/21/24/1302862124.db2.gz JPUZTWRTKHZGMV-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376076 1302862139 /nfs/dbraw/zinc/86/21/39/1302862139.db2.gz JPUZTWRTKHZGMV-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001230575514 1303288796 /nfs/dbraw/zinc/28/87/96/1303288796.db2.gz OXEDJSOEHYBUPC-SFHVURJKSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230575514 1303288805 /nfs/dbraw/zinc/28/88/05/1303288805.db2.gz OXEDJSOEHYBUPC-SFHVURJKSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230575514 1303288808 /nfs/dbraw/zinc/28/88/08/1303288808.db2.gz OXEDJSOEHYBUPC-SFHVURJKSA-N 2 1 333.520 2.443 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cccnc1 ZINC001230810615 1303475334 /nfs/dbraw/zinc/47/53/34/1303475334.db2.gz GZOCTPGCFBHDMW-UHFFFAOYSA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230849252 1303500937 /nfs/dbraw/zinc/50/09/37/1303500937.db2.gz LOPRIEMSSNCKQK-SFHVURJKSA-N 2 1 332.492 2.306 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001235589318 1305291661 /nfs/dbraw/zinc/29/16/61/1305291661.db2.gz QZUPPEJXOZMWSL-MOPGFXCFSA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001235589318 1305291669 /nfs/dbraw/zinc/29/16/69/1305291669.db2.gz QZUPPEJXOZMWSL-MOPGFXCFSA-N 2 1 342.487 2.177 20 30 EEEDMP C=CCOCCN1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001235632059 1305306407 /nfs/dbraw/zinc/30/64/07/1305306407.db2.gz DYCKGGHHFQNMJD-ROUUACIJSA-N 2 1 348.491 2.206 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591872 1305464477 /nfs/dbraw/zinc/46/44/77/1305464477.db2.gz JKCUVXYRMSGYCQ-QZTJIDSGSA-N 2 1 331.504 2.435 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001246306130 1310276494 /nfs/dbraw/zinc/27/64/94/1310276494.db2.gz UKPVQWJUJBFLAG-YJBOKZPZSA-N 2 1 334.435 2.499 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246670189 1310376337 /nfs/dbraw/zinc/37/63/37/1310376337.db2.gz OSGUKYMLFKRRKB-CFVMTHIKSA-N 2 1 334.382 2.358 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246670189 1310376347 /nfs/dbraw/zinc/37/63/47/1310376347.db2.gz OSGUKYMLFKRRKB-CFVMTHIKSA-N 2 1 334.382 2.358 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001149818208 1316055537 /nfs/dbraw/zinc/05/55/37/1316055537.db2.gz QLAPEZIYFQVZOE-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001149818208 1316055540 /nfs/dbraw/zinc/05/55/40/1316055540.db2.gz QLAPEZIYFQVZOE-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001149818208 1316055544 /nfs/dbraw/zinc/05/55/44/1316055544.db2.gz QLAPEZIYFQVZOE-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001150452557 1316267495 /nfs/dbraw/zinc/26/74/95/1316267495.db2.gz GITRWYUSUQZAAX-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001150452557 1316267501 /nfs/dbraw/zinc/26/75/01/1316267501.db2.gz GITRWYUSUQZAAX-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001150452557 1316267512 /nfs/dbraw/zinc/26/75/12/1316267512.db2.gz GITRWYUSUQZAAX-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451860 1316267685 /nfs/dbraw/zinc/26/76/85/1316267685.db2.gz ARYZCKTYTAGLAK-ROUUACIJSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001150452631 1316268025 /nfs/dbraw/zinc/26/80/25/1316268025.db2.gz HLNYFTWHPFHKSJ-ZWKOTPCHSA-N 2 1 339.524 2.136 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854613 1316900910 /nfs/dbraw/zinc/90/09/10/1316900910.db2.gz LUBZEIWSSPLTII-GOSISDBHSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854613 1316900912 /nfs/dbraw/zinc/90/09/12/1316900912.db2.gz LUBZEIWSSPLTII-GOSISDBHSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854613 1316900914 /nfs/dbraw/zinc/90/09/14/1316900914.db2.gz LUBZEIWSSPLTII-GOSISDBHSA-N 2 1 341.499 2.349 20 30 EEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001154272418 1317032551 /nfs/dbraw/zinc/03/25/51/1317032551.db2.gz BBOHXXVQOUJLKV-OAHLLOKOSA-N 2 1 327.432 2.284 20 30 EEEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001252481581 1317613593 /nfs/dbraw/zinc/61/35/93/1317613593.db2.gz DHKISPXRICEZDG-MTQWCTHYSA-N 2 1 330.472 2.050 20 30 EEEDMP C=CCOC(=O)N1CCC2(C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001256622810 1318804351 /nfs/dbraw/zinc/80/43/51/1318804351.db2.gz JRHVXQABCCCOQL-SJPCQFCGSA-N 2 1 333.476 2.332 20 30 EEEDMP C=CCOC(=O)N1CCC2(C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001256622810 1318804359 /nfs/dbraw/zinc/80/43/59/1318804359.db2.gz JRHVXQABCCCOQL-SJPCQFCGSA-N 2 1 333.476 2.332 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158290099 1319146222 /nfs/dbraw/zinc/14/62/22/1319146222.db2.gz XFPNQLNCOUUUOA-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCC(=O)OCC)CC1 ZINC001258501190 1319280440 /nfs/dbraw/zinc/28/04/40/1319280440.db2.gz RQGIUYSUMDRHHO-GOSISDBHSA-N 2 1 337.508 2.010 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001163006661 1321012176 /nfs/dbraw/zinc/01/21/76/1321012176.db2.gz IFUWKSJXKBVATP-HXUWFJFHSA-N 2 1 341.499 2.155 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001210781691 1325427400 /nfs/dbraw/zinc/42/74/00/1325427400.db2.gz BKZWIVZHADOTHR-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C#CC[NH2+]CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001341672606 1337296123 /nfs/dbraw/zinc/29/61/23/1337296123.db2.gz IVUYHDDSGXXKGO-UHFFFAOYSA-N 2 1 327.472 2.290 20 30 EEEDMP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001669910585 1356237135 /nfs/dbraw/zinc/23/71/35/1356237135.db2.gz OQYRDPUIVJCDPQ-YJBOKZPZSA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001669910585 1356237142 /nfs/dbraw/zinc/23/71/42/1356237142.db2.gz OQYRDPUIVJCDPQ-YJBOKZPZSA-N 2 1 349.906 2.468 20 30 EEEDMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567208618 1342712355 /nfs/dbraw/zinc/71/23/55/1342712355.db2.gz RTBDSKFICGDKNX-MAUKXSAKSA-N 2 1 347.890 2.270 20 30 EEEDMP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001574866580 1343706886 /nfs/dbraw/zinc/70/68/86/1343706886.db2.gz IOURYTGZUWSWRQ-SJORKVTESA-N 2 1 344.507 2.201 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001375895885 1378119596 /nfs/dbraw/zinc/11/95/96/1378119596.db2.gz KATCPJBFWFSGPX-FQEVSTJZSA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001375946603 1378191758 /nfs/dbraw/zinc/19/17/58/1378191758.db2.gz MNGAVKMBYDEAQJ-QGZVFWFLSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001375946603 1378191762 /nfs/dbraw/zinc/19/17/62/1378191762.db2.gz MNGAVKMBYDEAQJ-QGZVFWFLSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001375946603 1378191764 /nfs/dbraw/zinc/19/17/64/1378191764.db2.gz MNGAVKMBYDEAQJ-QGZVFWFLSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001375946603 1378191767 /nfs/dbraw/zinc/19/17/67/1378191767.db2.gz MNGAVKMBYDEAQJ-QGZVFWFLSA-N 2 1 327.900 2.442 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001391310572 1389238439 /nfs/dbraw/zinc/23/84/39/1389238439.db2.gz GNWNSXHMAHDVDT-RHSMWYFYSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001391310572 1389238443 /nfs/dbraw/zinc/23/84/43/1389238443.db2.gz GNWNSXHMAHDVDT-RHSMWYFYSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001391310572 1389238451 /nfs/dbraw/zinc/23/84/51/1389238451.db2.gz GNWNSXHMAHDVDT-RHSMWYFYSA-N 2 1 346.500 2.042 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001393522175 1390458097 /nfs/dbraw/zinc/45/80/97/1390458097.db2.gz CUUOSTZKKRYBMK-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001393746969 1390526580 /nfs/dbraw/zinc/52/65/80/1390526580.db2.gz LAVPSPKQJKLTRJ-JSGCOSHPSA-N 2 1 346.313 2.063 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001401153837 1396990334 /nfs/dbraw/zinc/99/03/34/1396990334.db2.gz MMHBJCGPFNREDU-QFBILLFUSA-N 2 1 342.487 2.275 20 30 EEEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)CO2 ZINC001755065055 1407073315 /nfs/dbraw/zinc/07/33/15/1407073315.db2.gz CMRQNHATADLGJM-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001422586556 1400051102 /nfs/dbraw/zinc/05/11/02/1400051102.db2.gz BCMSKHHKDJOJBD-CRAIPNDOSA-N 2 1 330.476 2.081 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC001425906061 1401797227 /nfs/dbraw/zinc/79/72/27/1401797227.db2.gz FNFSQVSCQGIEFT-YOEHRIQHSA-N 2 1 346.450 2.118 20 30 EEEDMP C=CC1(CC(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)C[NH2+]C1 ZINC001574880538 1403527467 /nfs/dbraw/zinc/52/74/67/1403527467.db2.gz VZEYWZFGUUXLOT-KRWDZBQOSA-N 2 1 339.439 2.392 20 30 EEEDMP C[C@@H]1C[C@H](C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001576600232 1403589473 /nfs/dbraw/zinc/58/94/73/1403589473.db2.gz ZKEYQTOMTMLXQZ-YLJYHZDGSA-N 2 1 326.488 2.454 20 30 EEEDMP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001577710970 1403669629 /nfs/dbraw/zinc/66/96/29/1403669629.db2.gz KSSQYAMPUUIPAO-WMZOPIPTSA-N 2 1 334.508 2.368 20 30 EEEDMP N#CC1(C[C@@H](O)C[N@H+](Cc2ccccn2)C2CC[NH2+]CC2)CCC1 ZINC001580038011 1403811257 /nfs/dbraw/zinc/81/12/57/1403811257.db2.gz BXNUCHKAFHVFEG-GOSISDBHSA-N 2 1 328.460 2.080 20 30 EEEDMP N#CC1(C[C@@H](O)C[N@@H+](Cc2ccccn2)C2CC[NH2+]CC2)CCC1 ZINC001580038011 1403811268 /nfs/dbraw/zinc/81/12/68/1403811268.db2.gz BXNUCHKAFHVFEG-GOSISDBHSA-N 2 1 328.460 2.080 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCC1=CCCCC1 ZINC001751991589 1406169643 /nfs/dbraw/zinc/16/96/43/1406169643.db2.gz JWVYAMBWUJIFFB-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CCC1=CCCCC1 ZINC001751991589 1406169650 /nfs/dbraw/zinc/16/96/50/1406169650.db2.gz JWVYAMBWUJIFFB-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC1=CCCCC1 ZINC001751991589 1406169658 /nfs/dbraw/zinc/16/96/58/1406169658.db2.gz JWVYAMBWUJIFFB-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC1=CCCCC1 ZINC001751991589 1406169662 /nfs/dbraw/zinc/16/96/62/1406169662.db2.gz JWVYAMBWUJIFFB-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001755566869 1407637663 /nfs/dbraw/zinc/63/76/63/1407637663.db2.gz CEOGFYIHSHKNEB-VQIMIIECSA-N 2 1 337.483 2.049 20 30 EEEDMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)ncc2C#N)c2c1CC[NH2+]C2 ZINC001164685167 719605498 /nfs/dbraw/zinc/60/54/98/719605498.db2.gz SFZUUTIWARGSCP-UHFFFAOYSA-N 2 1 344.850 2.278 20 30 EEEDMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)ncc2C#N)c2c1CC[NH2+]C2 ZINC001164685167 719605504 /nfs/dbraw/zinc/60/55/04/719605504.db2.gz SFZUUTIWARGSCP-UHFFFAOYSA-N 2 1 344.850 2.278 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)c1 ZINC001168023663 782294351 /nfs/dbraw/zinc/29/43/51/782294351.db2.gz ZIMKGCIOTMYARR-RTBURBONSA-N 2 1 340.471 2.171 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449984 760441967 /nfs/dbraw/zinc/44/19/67/760441967.db2.gz XFUXVBDDQIJLQL-AZUAARDMSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211623484 761180535 /nfs/dbraw/zinc/18/05/35/761180535.db2.gz HRMKVGAVGONMMV-XUVXKRRUSA-N 2 1 339.483 2.078 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087302901 761540471 /nfs/dbraw/zinc/54/04/71/761540471.db2.gz BYPXDZAVKMKIRZ-QRQLOZEOSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087302901 761540477 /nfs/dbraw/zinc/54/04/77/761540477.db2.gz BYPXDZAVKMKIRZ-QRQLOZEOSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087302901 761540485 /nfs/dbraw/zinc/54/04/85/761540485.db2.gz BYPXDZAVKMKIRZ-QRQLOZEOSA-N 2 1 345.531 2.347 20 30 EEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104680081 764718860 /nfs/dbraw/zinc/71/88/60/764718860.db2.gz OZSNHDSUDBHHDA-IIAWOOMASA-N 2 1 327.900 2.155 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001089408457 768831503 /nfs/dbraw/zinc/83/15/03/768831503.db2.gz AQZYTCRLSWEDAI-SJORKVTESA-N 2 1 337.483 2.050 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001089408457 768831516 /nfs/dbraw/zinc/83/15/16/768831516.db2.gz AQZYTCRLSWEDAI-SJORKVTESA-N 2 1 337.483 2.050 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCF)CC(C)(C)C1 ZINC001089408457 768831528 /nfs/dbraw/zinc/83/15/28/768831528.db2.gz AQZYTCRLSWEDAI-SJORKVTESA-N 2 1 337.483 2.050 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCF)CC(C)(C)C1 ZINC001089408457 768831536 /nfs/dbraw/zinc/83/15/36/768831536.db2.gz AQZYTCRLSWEDAI-SJORKVTESA-N 2 1 337.483 2.050 20 30 EEEDMP C=C(Cl)CN1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673575 770866923 /nfs/dbraw/zinc/86/69/23/770866923.db2.gz OJGORQCTXIYONG-INIZCTEOSA-N 2 1 339.911 2.442 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980147505 773949662 /nfs/dbraw/zinc/94/96/62/773949662.db2.gz NSYRHSBGYMSUTA-RCCFBDPRSA-N 2 1 331.504 2.408 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980154201 773965216 /nfs/dbraw/zinc/96/52/16/773965216.db2.gz HBSAVCOABHIVGE-JQHSSLGASA-N 2 1 343.471 2.195 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885978 774001848 /nfs/dbraw/zinc/00/18/48/774001848.db2.gz LVHPGQRBDNTFAL-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885978 774001854 /nfs/dbraw/zinc/00/18/54/774001854.db2.gz LVHPGQRBDNTFAL-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885978 774001863 /nfs/dbraw/zinc/00/18/63/774001863.db2.gz LVHPGQRBDNTFAL-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001089660839 774046894 /nfs/dbraw/zinc/04/68/94/774046894.db2.gz QGVYSXHODGFWSM-HZPDHXFCSA-N 2 1 330.476 2.238 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093728 777408329 /nfs/dbraw/zinc/40/83/29/777408329.db2.gz PFEPSUXYCZXERS-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093728 777408333 /nfs/dbraw/zinc/40/83/33/777408333.db2.gz PFEPSUXYCZXERS-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093728 777408335 /nfs/dbraw/zinc/40/83/35/777408335.db2.gz PFEPSUXYCZXERS-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000981954030 778653087 /nfs/dbraw/zinc/65/30/87/778653087.db2.gz WJOUNDGIQSGSRT-KRWDZBQOSA-N 2 1 340.471 2.077 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000981954030 778653092 /nfs/dbraw/zinc/65/30/92/778653092.db2.gz WJOUNDGIQSGSRT-KRWDZBQOSA-N 2 1 340.471 2.077 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000981954030 778653097 /nfs/dbraw/zinc/65/30/97/778653097.db2.gz WJOUNDGIQSGSRT-KRWDZBQOSA-N 2 1 340.471 2.077 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000981954030 778653101 /nfs/dbraw/zinc/65/31/01/778653101.db2.gz WJOUNDGIQSGSRT-KRWDZBQOSA-N 2 1 340.471 2.077 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000982012575 778861995 /nfs/dbraw/zinc/86/19/95/778861995.db2.gz AGLWJCPGNFGDPU-AWEZNQCLSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000982012575 778861999 /nfs/dbraw/zinc/86/19/99/778861999.db2.gz AGLWJCPGNFGDPU-AWEZNQCLSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000982012575 778862005 /nfs/dbraw/zinc/86/20/05/778862005.db2.gz AGLWJCPGNFGDPU-AWEZNQCLSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000982012575 778862012 /nfs/dbraw/zinc/86/20/12/778862012.db2.gz AGLWJCPGNFGDPU-AWEZNQCLSA-N 2 1 325.884 2.005 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052555 779000096 /nfs/dbraw/zinc/00/00/96/779000096.db2.gz PQXPBSOIONPLME-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052555 779000098 /nfs/dbraw/zinc/00/00/98/779000098.db2.gz PQXPBSOIONPLME-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000982052555 779000102 /nfs/dbraw/zinc/00/01/02/779000102.db2.gz PQXPBSOIONPLME-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000982107357 779115737 /nfs/dbraw/zinc/11/57/37/779115737.db2.gz HXPIQCGRLAWRBG-UHFFFAOYSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087443683 780279272 /nfs/dbraw/zinc/27/92/72/780279272.db2.gz ZLTLCYUUQOJEAA-XUVXKRRUSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087443683 780279283 /nfs/dbraw/zinc/27/92/83/780279283.db2.gz ZLTLCYUUQOJEAA-XUVXKRRUSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087443683 780279290 /nfs/dbraw/zinc/27/92/90/780279290.db2.gz ZLTLCYUUQOJEAA-XUVXKRRUSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538583 790796112 /nfs/dbraw/zinc/79/61/12/790796112.db2.gz SGUNKIBWVGNWII-ROUUACIJSA-N 2 1 327.472 2.266 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538583 790796117 /nfs/dbraw/zinc/79/61/17/790796117.db2.gz SGUNKIBWVGNWII-ROUUACIJSA-N 2 1 327.472 2.266 20 30 EEEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001089860927 780846112 /nfs/dbraw/zinc/84/61/12/780846112.db2.gz CNHLMQSXLACLII-XSLAGTTESA-N 2 1 331.504 2.073 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001089860927 780846115 /nfs/dbraw/zinc/84/61/15/780846115.db2.gz CNHLMQSXLACLII-XSLAGTTESA-N 2 1 331.504 2.073 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001089860927 780846120 /nfs/dbraw/zinc/84/61/20/780846120.db2.gz CNHLMQSXLACLII-XSLAGTTESA-N 2 1 331.504 2.073 20 30 EEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994130 781707302 /nfs/dbraw/zinc/70/73/02/781707302.db2.gz MTCHBRNIUYZPFL-UXHICEINSA-N 2 1 341.499 2.346 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942101087 781723658 /nfs/dbraw/zinc/72/36/58/781723658.db2.gz QJPMVSJHQJPJPE-GOEBONIOSA-N 2 1 333.501 2.273 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942824346 783257961 /nfs/dbraw/zinc/25/79/61/783257961.db2.gz XMTPOYJGMCRWIQ-ZFWWWQNUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942824346 783257971 /nfs/dbraw/zinc/25/79/71/783257971.db2.gz XMTPOYJGMCRWIQ-ZFWWWQNUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942824346 783257972 /nfs/dbraw/zinc/25/79/72/783257972.db2.gz XMTPOYJGMCRWIQ-ZFWWWQNUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942824346 783257984 /nfs/dbraw/zinc/25/79/84/783257984.db2.gz XMTPOYJGMCRWIQ-ZFWWWQNUSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C[C@@H]2C)CC1 ZINC000945183864 783575127 /nfs/dbraw/zinc/57/51/27/783575127.db2.gz UGTFCAWONNKVQW-FXAWDEMLSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035203826 784052547 /nfs/dbraw/zinc/05/25/47/784052547.db2.gz QMWYYNSASNNQCN-UHFFFAOYSA-N 2 1 336.439 2.286 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135690096 784249834 /nfs/dbraw/zinc/24/98/34/784249834.db2.gz FDNDGWLTKKBVQZ-QZTJIDSGSA-N 2 1 339.524 2.021 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135857009 784638094 /nfs/dbraw/zinc/63/80/94/784638094.db2.gz AZSXDIXPXHLTJD-HUUCEWRRSA-N 2 1 348.466 2.412 20 30 EEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CC2 ZINC001035778222 785163872 /nfs/dbraw/zinc/16/38/72/785163872.db2.gz DQGIUJAYEWYWHW-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C[NH+](C)CCOc1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000822723157 787355212 /nfs/dbraw/zinc/35/52/12/787355212.db2.gz RQYWTEAXKRAKPN-HNNXBMFYSA-N 2 1 329.404 2.371 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000996993251 788377134 /nfs/dbraw/zinc/37/71/34/788377134.db2.gz CAGQFMAVBVEGBG-CQSZACIVSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH2+]C)C2)c(OC)c1 ZINC000923282307 789294559 /nfs/dbraw/zinc/29/45/59/789294559.db2.gz MLISTRXBDRVYKE-ZWKOTPCHSA-N 2 1 348.487 2.095 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)c(OC)c1 ZINC000923282307 789294565 /nfs/dbraw/zinc/29/45/65/789294565.db2.gz MLISTRXBDRVYKE-ZWKOTPCHSA-N 2 1 348.487 2.095 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C)cc2)C1 ZINC001091075776 789725866 /nfs/dbraw/zinc/72/58/66/789725866.db2.gz YPNQJWWIWSIPHY-MHJFOBGBSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C)cc2)C1 ZINC001091075776 789725869 /nfs/dbraw/zinc/72/58/69/789725869.db2.gz YPNQJWWIWSIPHY-MHJFOBGBSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800910 806011318 /nfs/dbraw/zinc/01/13/18/806011318.db2.gz ZBGYHUBCKAQCLY-IKGGRYGDSA-N 2 1 328.460 2.141 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800910 806011329 /nfs/dbraw/zinc/01/13/29/806011329.db2.gz ZBGYHUBCKAQCLY-IKGGRYGDSA-N 2 1 328.460 2.141 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccncc3)c2)[C@H]1C ZINC001088945234 791686834 /nfs/dbraw/zinc/68/68/34/791686834.db2.gz VWDSHDASGQVQCU-QAPCUYQASA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001088945234 791686840 /nfs/dbraw/zinc/68/68/40/791686840.db2.gz VWDSHDASGQVQCU-QAPCUYQASA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001088945234 791686843 /nfs/dbraw/zinc/68/68/43/791686843.db2.gz VWDSHDASGQVQCU-QAPCUYQASA-N 2 1 339.443 2.426 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1cscn1 ZINC001171307683 791852277 /nfs/dbraw/zinc/85/22/77/791852277.db2.gz KKGMBECTSWPJME-RDJZCZTQSA-N 2 1 348.516 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1cscn1 ZINC001171307683 791852285 /nfs/dbraw/zinc/85/22/85/791852285.db2.gz KKGMBECTSWPJME-RDJZCZTQSA-N 2 1 348.516 2.005 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089928658 792575683 /nfs/dbraw/zinc/57/56/83/792575683.db2.gz LLRYFQDNQYVBQX-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089928658 792575693 /nfs/dbraw/zinc/57/56/93/792575693.db2.gz LLRYFQDNQYVBQX-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089928658 792575696 /nfs/dbraw/zinc/57/56/96/792575696.db2.gz LLRYFQDNQYVBQX-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942303 793034427 /nfs/dbraw/zinc/03/44/27/793034427.db2.gz NQROPLVGUHRJOG-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)c3cc(C[NH+](C)C)on3)C2)CC1 ZINC001086929478 793057012 /nfs/dbraw/zinc/05/70/12/793057012.db2.gz JDBCYDMHWLRXIU-HNNXBMFYSA-N 2 1 346.475 2.239 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000998922101 793565616 /nfs/dbraw/zinc/56/56/16/793565616.db2.gz FRYJWRHNZYDHOO-ACBHZAAOSA-N 2 1 343.446 2.002 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000998922101 793565624 /nfs/dbraw/zinc/56/56/24/793565624.db2.gz FRYJWRHNZYDHOO-ACBHZAAOSA-N 2 1 343.446 2.002 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992400446 793965472 /nfs/dbraw/zinc/96/54/72/793965472.db2.gz DQLCHFIMNDAPSW-ICSRJNTNSA-N 2 1 331.504 2.408 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000999350015 794344059 /nfs/dbraw/zinc/34/40/59/794344059.db2.gz VUBKQZHWCIKOJD-HOTGVXAUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079189393 794468556 /nfs/dbraw/zinc/46/85/56/794468556.db2.gz NDQUWRQGGWZVIR-IPMKNSEASA-N 2 1 345.462 2.380 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](CC)CC)o3)CCC[C@@H]12 ZINC000992518793 794486987 /nfs/dbraw/zinc/48/69/87/794486987.db2.gz SMDMLAPUAOTUKT-QUCCMNQESA-N 2 1 343.471 2.481 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106132648 794496310 /nfs/dbraw/zinc/49/63/10/794496310.db2.gz BHHOFOWQZNXCHP-GUDVDZBRSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001079320665 794577193 /nfs/dbraw/zinc/57/71/93/794577193.db2.gz CLALLERBMIVHHG-HHXXYDBFSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036748226 794761768 /nfs/dbraw/zinc/76/17/68/794761768.db2.gz ZMFMOKXQPBNPHR-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106244548 795280672 /nfs/dbraw/zinc/28/06/72/795280672.db2.gz PCZMHGQZXYYJII-HYVNUMGLSA-N 2 1 341.927 2.401 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001093540931 795346434 /nfs/dbraw/zinc/34/64/34/795346434.db2.gz UJZPSHBMBSRQJM-IBGZPJMESA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001093540931 795346439 /nfs/dbraw/zinc/34/64/39/795346439.db2.gz UJZPSHBMBSRQJM-IBGZPJMESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871115 795596079 /nfs/dbraw/zinc/59/60/79/795596079.db2.gz GVVILYYPQRNZOA-DOTOQJQBSA-N 2 1 328.460 2.260 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871115 795596081 /nfs/dbraw/zinc/59/60/81/795596081.db2.gz GVVILYYPQRNZOA-DOTOQJQBSA-N 2 1 328.460 2.260 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCC)CC1 ZINC001110152354 795835170 /nfs/dbraw/zinc/83/51/70/795835170.db2.gz PUHHDJBLFODKLL-QYZOEREBSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106665738 796072049 /nfs/dbraw/zinc/07/20/49/796072049.db2.gz ADXHYAMNDZWRIO-MDZRGWNJSA-N 2 1 339.499 2.459 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993803913 797031174 /nfs/dbraw/zinc/03/11/74/797031174.db2.gz JVPSOQXACGGVCB-YLJYHZDGSA-N 2 1 341.499 2.397 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001106868390 797558912 /nfs/dbraw/zinc/55/89/12/797558912.db2.gz FCKVFRCBAQBETH-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174930715 797920052 /nfs/dbraw/zinc/92/00/52/797920052.db2.gz YCLZEEQRDCBDGQ-WBVHZDCISA-N 2 1 330.476 2.042 20 30 EEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001175929301 798292505 /nfs/dbraw/zinc/29/25/05/798292505.db2.gz FRFBUYNSZHQSPZ-OAHLLOKOSA-N 2 1 327.432 2.332 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084769215 798444877 /nfs/dbraw/zinc/44/48/77/798444877.db2.gz ZTLNXHIERMCXEN-YFVAEKQCSA-N 2 1 339.483 2.019 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084769215 798444881 /nfs/dbraw/zinc/44/48/81/798444881.db2.gz ZTLNXHIERMCXEN-YFVAEKQCSA-N 2 1 339.483 2.019 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101380 798674925 /nfs/dbraw/zinc/67/49/25/798674925.db2.gz HMTIWHBFZRKVKE-HOJAQTOUSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101380 798674927 /nfs/dbraw/zinc/67/49/27/798674927.db2.gz HMTIWHBFZRKVKE-HOJAQTOUSA-N 2 1 339.483 2.235 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001177158704 798780409 /nfs/dbraw/zinc/78/04/09/798780409.db2.gz ZHLYAUVUWMGTOY-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001177158704 798780411 /nfs/dbraw/zinc/78/04/11/798780411.db2.gz ZHLYAUVUWMGTOY-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001179807242 800113700 /nfs/dbraw/zinc/11/37/00/800113700.db2.gz ZELWFSVJEGQXNQ-YOEHRIQHSA-N 2 1 325.416 2.036 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085313002 800348111 /nfs/dbraw/zinc/34/81/11/800348111.db2.gz FOIZBNJGGSXCAC-KBAYOESNSA-N 2 1 330.476 2.347 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108218964 801536996 /nfs/dbraw/zinc/53/69/96/801536996.db2.gz CEORYNVPOQJHBW-HKUYNNGSSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230636 802169148 /nfs/dbraw/zinc/16/91/48/802169148.db2.gz OTSAJAKLVMUWPC-QZTJIDSGSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001004475562 802175231 /nfs/dbraw/zinc/17/52/31/802175231.db2.gz UTRXUOVBTWVYLQ-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004475562 802175233 /nfs/dbraw/zinc/17/52/33/802175233.db2.gz UTRXUOVBTWVYLQ-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004475562 802175236 /nfs/dbraw/zinc/17/52/36/802175236.db2.gz UTRXUOVBTWVYLQ-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621096 802255512 /nfs/dbraw/zinc/25/55/12/802255512.db2.gz KAFMJGLLDBLCRI-OTWHNJEPSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621096 802255515 /nfs/dbraw/zinc/25/55/15/802255515.db2.gz KAFMJGLLDBLCRI-OTWHNJEPSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621096 802255519 /nfs/dbraw/zinc/25/55/19/802255519.db2.gz KAFMJGLLDBLCRI-OTWHNJEPSA-N 2 1 333.520 2.321 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185308472 802453934 /nfs/dbraw/zinc/45/39/34/802453934.db2.gz WLDWXWGGXMJVKQ-WMZOPIPTSA-N 2 1 330.476 2.069 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001004619037 802496099 /nfs/dbraw/zinc/49/60/99/802496099.db2.gz JPKIYNGMKXWOLV-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004619037 802496103 /nfs/dbraw/zinc/49/61/03/802496103.db2.gz JPKIYNGMKXWOLV-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001004619037 802496108 /nfs/dbraw/zinc/49/61/08/802496108.db2.gz JPKIYNGMKXWOLV-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004619362 802497562 /nfs/dbraw/zinc/49/75/62/802497562.db2.gz BSWHXPOFRAQPQF-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004619362 802497566 /nfs/dbraw/zinc/49/75/66/802497566.db2.gz BSWHXPOFRAQPQF-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004619362 802497571 /nfs/dbraw/zinc/49/75/71/802497571.db2.gz BSWHXPOFRAQPQF-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001086613262 810316478 /nfs/dbraw/zinc/31/64/78/810316478.db2.gz KQGAUBRVRLOUGX-VQTJNVASSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804534387 810913413 /nfs/dbraw/zinc/91/34/13/810913413.db2.gz PMNADUHIMPPVHS-HXUWFJFHSA-N 2 1 327.472 2.229 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CCCC[NH+](C)C)C1 ZINC001130443959 811648968 /nfs/dbraw/zinc/64/89/68/811648968.db2.gz YINMHODCIVWYNM-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@H+](C)CCC)C1 ZINC001130446550 811652799 /nfs/dbraw/zinc/65/27/99/811652799.db2.gz NZLNWUBBVHPIFE-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)CCC)C1 ZINC001130446550 811652804 /nfs/dbraw/zinc/65/28/04/811652804.db2.gz NZLNWUBBVHPIFE-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)CCC)C1 ZINC001130446550 811652807 /nfs/dbraw/zinc/65/28/07/811652807.db2.gz NZLNWUBBVHPIFE-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001437940571 1090534410 /nfs/dbraw/zinc/53/44/10/1090534410.db2.gz BDINDKGLVYTUPG-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001437940571 1090534413 /nfs/dbraw/zinc/53/44/13/1090534413.db2.gz BDINDKGLVYTUPG-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001437940571 1090534419 /nfs/dbraw/zinc/53/44/19/1090534419.db2.gz BDINDKGLVYTUPG-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001439376725 1092116374 /nfs/dbraw/zinc/11/63/74/1092116374.db2.gz BXBSAXUFCHNPKL-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccccc2C#N)CCC1 ZINC001440355872 1093512214 /nfs/dbraw/zinc/51/22/14/1093512214.db2.gz JTMWILBJWKZCDA-UHFFFAOYSA-N 2 1 328.460 2.029 20 30 EEEDMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001449387960 1094362564 /nfs/dbraw/zinc/36/25/64/1094362564.db2.gz QPGOLPURQVAORJ-UHFFFAOYSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(C#N)s1 ZINC001442756978 1097133243 /nfs/dbraw/zinc/13/32/43/1097133243.db2.gz RAUBZESUCJPMEY-UHFFFAOYSA-N 2 1 348.516 2.434 20 30 EEEDMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(C#N)s1 ZINC001442756978 1097133248 /nfs/dbraw/zinc/13/32/48/1097133248.db2.gz RAUBZESUCJPMEY-UHFFFAOYSA-N 2 1 348.516 2.434 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001446639564 1101153932 /nfs/dbraw/zinc/15/39/32/1101153932.db2.gz UXDFAKTWTFMKPS-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001447302321 1102407253 /nfs/dbraw/zinc/40/72/53/1102407253.db2.gz SKPJBCJKSYHXEF-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001494911790 1104546572 /nfs/dbraw/zinc/54/65/72/1104546572.db2.gz XKERLRBBVXPJDI-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)cs1 ZINC000084185287 285280297 /nfs/dbraw/zinc/28/02/97/285280297.db2.gz GETGHKJTQZXWJN-HNNXBMFYSA-N 2 1 334.489 2.108 20 30 EEEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329276520 465286671 /nfs/dbraw/zinc/28/66/71/465286671.db2.gz LFQMVEMXWBSCDX-NVXWUHKLSA-N 2 1 333.480 2.302 20 30 EEEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000268953796 463823342 /nfs/dbraw/zinc/82/33/42/463823342.db2.gz FQHZJVKNJZIKES-RTBURBONSA-N 2 1 328.456 2.166 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)C(C)C ZINC000291605862 464156745 /nfs/dbraw/zinc/15/67/45/464156745.db2.gz JCCMVKZLIXSBAV-ICSRJNTNSA-N 2 1 348.535 2.422 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(C#N)n(C)c3)c2)CCO1 ZINC000190868996 464736488 /nfs/dbraw/zinc/73/64/88/464736488.db2.gz YJVSHKBQAUKAGY-MRXNPFEDSA-N 2 1 338.455 2.407 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(C#N)n(C)c3)c2)CCO1 ZINC000190868996 464736492 /nfs/dbraw/zinc/73/64/92/464736492.db2.gz YJVSHKBQAUKAGY-MRXNPFEDSA-N 2 1 338.455 2.407 20 30 EEEDMP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000249760475 464914558 /nfs/dbraw/zinc/91/45/58/464914558.db2.gz MNRDRRJJEUXECY-IAGOWNOFSA-N 2 1 327.472 2.289 20 30 EEEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000267445336 464931771 /nfs/dbraw/zinc/93/17/71/464931771.db2.gz PXDAOVOCXMZYBD-OAHLLOKOSA-N 2 1 344.459 2.351 20 30 EEEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000267445336 464931776 /nfs/dbraw/zinc/93/17/76/464931776.db2.gz PXDAOVOCXMZYBD-OAHLLOKOSA-N 2 1 344.459 2.351 20 30 EEEDMP CC(C)[C@@H]1C[NH+](CC#CC[N@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339819367 465530910 /nfs/dbraw/zinc/53/09/10/465530910.db2.gz JIFBOVWNZTZWMN-PMACEKPBSA-N 2 1 336.520 2.484 20 30 EEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000347249865 466509170 /nfs/dbraw/zinc/50/91/70/466509170.db2.gz GLQGMRICZPSXNX-SFHVURJKSA-N 2 1 331.460 2.500 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000488792768 468104910 /nfs/dbraw/zinc/10/49/10/468104910.db2.gz AQVZSFHPEYZSOO-INIZCTEOSA-N 2 1 334.508 2.153 20 30 EEEDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000566113444 468144776 /nfs/dbraw/zinc/14/47/76/468144776.db2.gz ZLFIQMSZARVLCZ-RBUKOAKNSA-N 2 1 345.487 2.060 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC000490740622 468244161 /nfs/dbraw/zinc/24/41/61/468244161.db2.gz MATUOVRQXIXERE-UHFFFAOYSA-N 2 1 331.504 2.126 20 30 EEEDMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000603111528 469267660 /nfs/dbraw/zinc/26/76/60/469267660.db2.gz RKBCTSSGCOQQSL-LJQANCHMSA-N 2 1 345.487 2.496 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(CC#N)cc2)C[C@H]1C ZINC000610137452 469983040 /nfs/dbraw/zinc/98/30/40/469983040.db2.gz KWASMKCIXMMYFA-NEWSRXKRSA-N 2 1 345.487 2.297 20 30 EEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)C[C@H]1C ZINC000610137452 469983045 /nfs/dbraw/zinc/98/30/45/469983045.db2.gz KWASMKCIXMMYFA-NEWSRXKRSA-N 2 1 345.487 2.297 20 30 EEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)C[C@H]1C ZINC000610137452 469983051 /nfs/dbraw/zinc/98/30/51/469983051.db2.gz KWASMKCIXMMYFA-NEWSRXKRSA-N 2 1 345.487 2.297 20 30 EEEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610370268 470008317 /nfs/dbraw/zinc/00/83/17/470008317.db2.gz QHNUKLGMSMOPBK-RBUKOAKNSA-N 2 1 345.487 2.299 20 30 EEEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610370268 470008319 /nfs/dbraw/zinc/00/83/19/470008319.db2.gz QHNUKLGMSMOPBK-RBUKOAKNSA-N 2 1 345.487 2.299 20 30 EEEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610370268 470008321 /nfs/dbraw/zinc/00/83/21/470008321.db2.gz QHNUKLGMSMOPBK-RBUKOAKNSA-N 2 1 345.487 2.299 20 30 EEEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610370268 470008324 /nfs/dbraw/zinc/00/83/24/470008324.db2.gz QHNUKLGMSMOPBK-RBUKOAKNSA-N 2 1 345.487 2.299 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644548907 470979875 /nfs/dbraw/zinc/97/98/75/470979875.db2.gz DUHXYNXNEAMMBD-HXUWFJFHSA-N 2 1 331.504 2.109 20 30 EEEDMP CC(C)CCNC(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771550726 577217694 /nfs/dbraw/zinc/21/76/94/577217694.db2.gz RWSKJTSUWBNTPT-UHFFFAOYSA-N 2 1 347.532 2.283 20 30 EEEDMP C=C(Cl)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319245 675787961 /nfs/dbraw/zinc/78/79/61/675787961.db2.gz SEACAOGCMVBXCJ-HUUCEWRRSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000970425882 675872821 /nfs/dbraw/zinc/87/28/21/675872821.db2.gz BLSUFTVZCIASIS-OAHLLOKOSA-N 2 1 346.475 2.287 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CC(C)C)CC[C@H]32)CC1 ZINC001021740189 676399101 /nfs/dbraw/zinc/39/91/01/676399101.db2.gz RCMBDWZJSBFDSF-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740863 676400360 /nfs/dbraw/zinc/40/03/60/676400360.db2.gz WTLDJJQLFZVEMB-RTBURBONSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000891921004 677703255 /nfs/dbraw/zinc/70/32/55/677703255.db2.gz HEPRUKYEWGQPNG-MJGOQNOKSA-N 2 1 348.535 2.271 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369137 679276102 /nfs/dbraw/zinc/27/61/02/679276102.db2.gz AMCQMWWSAQSJTH-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369137 679276103 /nfs/dbraw/zinc/27/61/03/679276103.db2.gz AMCQMWWSAQSJTH-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369137 679276104 /nfs/dbraw/zinc/27/61/04/679276104.db2.gz AMCQMWWSAQSJTH-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3occc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982490855 681257360 /nfs/dbraw/zinc/25/73/60/681257360.db2.gz BKKRPFJGOKUXND-BGYRXZFFSA-N 2 1 343.471 2.149 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541713 681863073 /nfs/dbraw/zinc/86/30/73/681863073.db2.gz FBSHKOOFMATTJX-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541713 681863083 /nfs/dbraw/zinc/86/30/83/681863083.db2.gz FBSHKOOFMATTJX-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541713 681863093 /nfs/dbraw/zinc/86/30/93/681863093.db2.gz FBSHKOOFMATTJX-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277044 682381981 /nfs/dbraw/zinc/38/19/81/682381981.db2.gz MSEWZHWBNYLXGT-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277044 682381987 /nfs/dbraw/zinc/38/19/87/682381987.db2.gz MSEWZHWBNYLXGT-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514420 682941107 /nfs/dbraw/zinc/94/11/07/682941107.db2.gz BIOSLGMNGTWVKR-HOTGVXAUSA-N 2 1 331.460 2.195 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520190 682953848 /nfs/dbraw/zinc/95/38/48/682953848.db2.gz BKLFIPMVBROWSI-ZBFHGGJFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC000992819468 683530916 /nfs/dbraw/zinc/53/09/16/683530916.db2.gz FBAIIDHDIVAWLA-YESZJQIVSA-N 2 1 330.476 2.409 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)cccc1C ZINC001038367718 684516016 /nfs/dbraw/zinc/51/60/16/684516016.db2.gz MVPROVUMRFQYBL-ICSRJNTNSA-N 2 1 339.483 2.092 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001026560130 684745029 /nfs/dbraw/zinc/74/50/29/684745029.db2.gz BWYBZASOQPIDPE-UHFFFAOYSA-N 2 1 346.475 2.477 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975079946 686103231 /nfs/dbraw/zinc/10/32/31/686103231.db2.gz NYTAYEFBHWRTDV-CEXWTWQISA-N 2 1 341.499 2.344 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975079946 686103232 /nfs/dbraw/zinc/10/32/32/686103232.db2.gz NYTAYEFBHWRTDV-CEXWTWQISA-N 2 1 341.499 2.344 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029757925 687022957 /nfs/dbraw/zinc/02/29/57/687022957.db2.gz LOJOVYLZKRFLGN-HKUYNNGSSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029757925 687022961 /nfs/dbraw/zinc/02/29/61/687022961.db2.gz LOJOVYLZKRFLGN-HKUYNNGSSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029757925 687022963 /nfs/dbraw/zinc/02/29/63/687022963.db2.gz LOJOVYLZKRFLGN-HKUYNNGSSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029757925 687022967 /nfs/dbraw/zinc/02/29/67/687022967.db2.gz LOJOVYLZKRFLGN-HKUYNNGSSA-N 2 1 345.531 2.301 20 30 EEEDMP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1cnc[nH]1 ZINC000986348845 688521866 /nfs/dbraw/zinc/52/18/66/688521866.db2.gz BNGHWYHUDPRFAV-LRDDRELGSA-N 2 1 343.456 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027446571 692112721 /nfs/dbraw/zinc/11/27/21/692112721.db2.gz NXYNQGJYYNJQRY-MSOLQXFVSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027446571 692112722 /nfs/dbraw/zinc/11/27/22/692112722.db2.gz NXYNQGJYYNJQRY-MSOLQXFVSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027446571 692112723 /nfs/dbraw/zinc/11/27/23/692112723.db2.gz NXYNQGJYYNJQRY-MSOLQXFVSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027446571 692112724 /nfs/dbraw/zinc/11/27/24/692112724.db2.gz NXYNQGJYYNJQRY-MSOLQXFVSA-N 2 1 345.512 2.269 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001027461566 692202162 /nfs/dbraw/zinc/20/21/62/692202162.db2.gz NCDTVWBNPCNVCE-RHSMWYFYSA-N 2 1 348.516 2.383 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001089880050 1192633472 /nfs/dbraw/zinc/63/34/72/1192633472.db2.gz GYODVUIZWFHNNV-MUGJNUQGSA-N 2 1 345.531 2.463 20 30 EEEDMP C[N@@H+](CC#Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267102248 1178244619 /nfs/dbraw/zinc/24/46/19/1178244619.db2.gz YXQSVFUMXZZMSK-VQTJNVASSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267102248 1178244627 /nfs/dbraw/zinc/24/46/27/1178244627.db2.gz YXQSVFUMXZZMSK-VQTJNVASSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267102248 1178244633 /nfs/dbraw/zinc/24/46/33/1178244633.db2.gz YXQSVFUMXZZMSK-VQTJNVASSA-N 2 1 339.483 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812213 1188555868 /nfs/dbraw/zinc/55/58/68/1188555868.db2.gz RTBBIBSPQNCKJI-NZSAHSFTSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812213 1188555869 /nfs/dbraw/zinc/55/58/69/1188555869.db2.gz RTBBIBSPQNCKJI-NZSAHSFTSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812213 1188555871 /nfs/dbraw/zinc/55/58/71/1188555871.db2.gz RTBBIBSPQNCKJI-NZSAHSFTSA-N 2 1 331.504 2.386 20 30 EEEDMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001483795192 1191034691 /nfs/dbraw/zinc/03/46/91/1191034691.db2.gz PUEBTJHKLNAIOD-SFHVURJKSA-N 2 1 340.471 2.171 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001483795192 1191034694 /nfs/dbraw/zinc/03/46/94/1191034694.db2.gz PUEBTJHKLNAIOD-SFHVURJKSA-N 2 1 340.471 2.171 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001486219738 1193757678 /nfs/dbraw/zinc/75/76/78/1193757678.db2.gz VHTMJOVZLNQBNQ-GJZGRUSLSA-N 2 1 348.516 2.336 20 30 EEEDMP C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001273038905 1194344103 /nfs/dbraw/zinc/34/41/03/1194344103.db2.gz KJMFUDJTTLHCJQ-FQEVSTJZSA-N 2 1 347.503 2.136 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC001033682261 1195062191 /nfs/dbraw/zinc/06/21/91/1195062191.db2.gz AYUNGLZRGWNYOX-GOSISDBHSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001033682209 1195063138 /nfs/dbraw/zinc/06/31/38/1195063138.db2.gz ASLLIKSOKIOHNP-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001128779783 1195488266 /nfs/dbraw/zinc/48/82/66/1195488266.db2.gz ZAYHUWDWAJGJQS-GOSISDBHSA-N 2 1 347.890 2.272 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034403800 1196196255 /nfs/dbraw/zinc/19/62/55/1196196255.db2.gz BZXLJTMZZPWEEO-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034403800 1196196258 /nfs/dbraw/zinc/19/62/58/1196196258.db2.gz BZXLJTMZZPWEEO-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001132274138 1199523531 /nfs/dbraw/zinc/52/35/31/1199523531.db2.gz PCEWCOOLZCMMDR-PBHICJAKSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001132274138 1199523533 /nfs/dbraw/zinc/52/35/33/1199523533.db2.gz PCEWCOOLZCMMDR-PBHICJAKSA-N 2 1 346.450 2.118 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133359201 1200790045 /nfs/dbraw/zinc/79/00/45/1200790045.db2.gz GKZFGMWPAZGJIF-QUCCMNQESA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133359201 1200790049 /nfs/dbraw/zinc/79/00/49/1200790049.db2.gz GKZFGMWPAZGJIF-QUCCMNQESA-N 2 1 341.499 2.216 20 30 EEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC001202729863 1202333132 /nfs/dbraw/zinc/33/31/32/1202333132.db2.gz QZAVBHDOQJDGDB-UHFFFAOYSA-N 2 1 349.519 2.178 20 30 EEEDMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(C#N)n3)(C1)CCC2 ZINC001275605198 1205440445 /nfs/dbraw/zinc/44/04/45/1205440445.db2.gz GBZYORYCUOXGHU-MOPGFXCFSA-N 2 1 344.459 2.098 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001275786695 1205526513 /nfs/dbraw/zinc/52/65/13/1205526513.db2.gz XXQZEVYLAUAFOM-HDICACEKSA-N 2 1 337.471 2.250 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001111030695 1207597502 /nfs/dbraw/zinc/59/75/02/1207597502.db2.gz XPTVJWAMTVWBBS-AQNXPRMDSA-N 2 1 341.499 2.459 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001111030695 1207597505 /nfs/dbraw/zinc/59/75/05/1207597505.db2.gz XPTVJWAMTVWBBS-AQNXPRMDSA-N 2 1 341.499 2.459 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030695 1207597507 /nfs/dbraw/zinc/59/75/07/1207597507.db2.gz XPTVJWAMTVWBBS-AQNXPRMDSA-N 2 1 341.499 2.459 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030695 1207597510 /nfs/dbraw/zinc/59/75/10/1207597510.db2.gz XPTVJWAMTVWBBS-AQNXPRMDSA-N 2 1 341.499 2.459 20 30 EEEDMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001111035458 1207632784 /nfs/dbraw/zinc/63/27/84/1207632784.db2.gz BDJJZVQPMLOIAS-YRXWBPOGSA-N 2 1 340.471 2.120 20 30 EEEDMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001111035458 1207632785 /nfs/dbraw/zinc/63/27/85/1207632785.db2.gz BDJJZVQPMLOIAS-YRXWBPOGSA-N 2 1 340.471 2.120 20 30 EEEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000950329954 1210158891 /nfs/dbraw/zinc/15/88/91/1210158891.db2.gz AXSNUXHUIDKENZ-QGZVFWFLSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000950329954 1210158893 /nfs/dbraw/zinc/15/88/93/1210158893.db2.gz AXSNUXHUIDKENZ-QGZVFWFLSA-N 2 1 331.504 2.197 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000303911795 1213923699 /nfs/dbraw/zinc/92/36/99/1213923699.db2.gz ZVDTZSNWANITJP-SFHVURJKSA-N 2 1 332.492 2.154 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCC1CC1 ZINC000304757669 1216103301 /nfs/dbraw/zinc/10/33/01/1216103301.db2.gz PBQFZTMZARATJM-QGZVFWFLSA-N 2 1 330.476 2.364 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000960305139 1216483584 /nfs/dbraw/zinc/48/35/84/1216483584.db2.gz SUXRRRZTHDEFNR-QKYXUNIQSA-N 2 1 327.472 2.419 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000960311021 1216486068 /nfs/dbraw/zinc/48/60/68/1216486068.db2.gz RWGSIZWRMQJDFL-HSALFYBXSA-N 2 1 339.483 2.254 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000960311021 1216486072 /nfs/dbraw/zinc/48/60/72/1216486072.db2.gz RWGSIZWRMQJDFL-HSALFYBXSA-N 2 1 339.483 2.254 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000960873434 1216955558 /nfs/dbraw/zinc/95/55/58/1216955558.db2.gz FTMHTEQNJKKUNS-MOPGFXCFSA-N 2 1 342.487 2.321 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373629 1217162878 /nfs/dbraw/zinc/16/28/78/1217162878.db2.gz IGPAJGARYSCTIF-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961374959 1217163715 /nfs/dbraw/zinc/16/37/15/1217163715.db2.gz MNRJFPROOCEGNE-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000961374959 1217163717 /nfs/dbraw/zinc/16/37/17/1217163717.db2.gz MNRJFPROOCEGNE-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961374959 1217163720 /nfs/dbraw/zinc/16/37/20/1217163720.db2.gz MNRJFPROOCEGNE-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961374959 1217163723 /nfs/dbraw/zinc/16/37/23/1217163723.db2.gz MNRJFPROOCEGNE-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961433189 1217188236 /nfs/dbraw/zinc/18/82/36/1217188236.db2.gz UKSRIRSYKMPXIU-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961433189 1217188239 /nfs/dbraw/zinc/18/82/39/1217188239.db2.gz UKSRIRSYKMPXIU-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961433189 1217188241 /nfs/dbraw/zinc/18/82/41/1217188241.db2.gz UKSRIRSYKMPXIU-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000963343930 1217538803 /nfs/dbraw/zinc/53/88/03/1217538803.db2.gz DOHAUOFOYAYIAZ-PRLABOORSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000963934267 1218136630 /nfs/dbraw/zinc/13/66/30/1218136630.db2.gz VASMOWWZFPKIGB-LDWRGQNGSA-N 2 1 328.460 2.354 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681631 1221487616 /nfs/dbraw/zinc/48/76/16/1221487616.db2.gz KVCRTFIBEQBCBL-LPHOPBHVSA-N 2 1 327.472 2.212 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001419 1221730026 /nfs/dbraw/zinc/73/00/26/1221730026.db2.gz AMSLAQYXAWARKA-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001419 1221730028 /nfs/dbraw/zinc/73/00/28/1221730028.db2.gz AMSLAQYXAWARKA-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001009624865 1223306901 /nfs/dbraw/zinc/30/69/01/1223306901.db2.gz BAXJAKWXDMUEFL-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001009625975 1223307793 /nfs/dbraw/zinc/30/77/93/1223307793.db2.gz GQIZLKZDFVOMKB-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001016818080 1226901512 /nfs/dbraw/zinc/90/15/12/1226901512.db2.gz BHIAMOKWMODRDG-OXJNMPFZSA-N 2 1 349.494 2.193 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016860532 1226927859 /nfs/dbraw/zinc/92/78/59/1226927859.db2.gz IQNIYCJLPZTCSC-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016930990 1226978510 /nfs/dbraw/zinc/97/85/10/1226978510.db2.gz OLMSXPSTSHEBFH-LSDHHAIUSA-N 2 1 325.884 2.051 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138401 1230352226 /nfs/dbraw/zinc/35/22/26/1230352226.db2.gz QCCFXENOOBFHFN-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039138401 1230352231 /nfs/dbraw/zinc/35/22/31/1230352231.db2.gz QCCFXENOOBFHFN-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039138401 1230352237 /nfs/dbraw/zinc/35/22/37/1230352237.db2.gz QCCFXENOOBFHFN-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039141318 1230357425 /nfs/dbraw/zinc/35/74/25/1230357425.db2.gz VFZDPFLSAYNALC-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141318 1230357429 /nfs/dbraw/zinc/35/74/29/1230357429.db2.gz VFZDPFLSAYNALC-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141318 1230357431 /nfs/dbraw/zinc/35/74/31/1230357431.db2.gz VFZDPFLSAYNALC-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC001039169720 1230394566 /nfs/dbraw/zinc/39/45/66/1230394566.db2.gz DLICFBXYXVAECS-GOSISDBHSA-N 2 1 344.503 2.489 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CC[N@H+](CC=C)C3)CC2)CC1 ZINC001039182912 1230410012 /nfs/dbraw/zinc/41/00/12/1230410012.db2.gz UMKAZYKAXNNRGR-FQEVSTJZSA-N 2 1 343.515 2.078 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241929 1231126986 /nfs/dbraw/zinc/12/69/86/1231126986.db2.gz VKUVFBDYRCVOST-WMZOPIPTSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241929 1231126990 /nfs/dbraw/zinc/12/69/90/1231126990.db2.gz VKUVFBDYRCVOST-WMZOPIPTSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC001040243840 1231129057 /nfs/dbraw/zinc/12/90/57/1231129057.db2.gz CSEUZVXSULOAIT-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC001040243840 1231129059 /nfs/dbraw/zinc/12/90/59/1231129059.db2.gz CSEUZVXSULOAIT-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040243840 1231129060 /nfs/dbraw/zinc/12/90/60/1231129060.db2.gz CSEUZVXSULOAIT-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040243840 1231129061 /nfs/dbraw/zinc/12/90/61/1231129061.db2.gz CSEUZVXSULOAIT-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040356230 1231185348 /nfs/dbraw/zinc/18/53/48/1231185348.db2.gz GVFBDVOWTPEXJA-HXUWFJFHSA-N 2 1 343.471 2.293 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542710 1231284001 /nfs/dbraw/zinc/28/40/01/1231284001.db2.gz CUDZTFTVDOGUMP-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542713 1231284125 /nfs/dbraw/zinc/28/41/25/1231284125.db2.gz CUDZTFTVDOGUMP-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041360455 1231519692 /nfs/dbraw/zinc/51/96/92/1231519692.db2.gz YMEFYDPXCZALQJ-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041360455 1231519694 /nfs/dbraw/zinc/51/96/94/1231519694.db2.gz YMEFYDPXCZALQJ-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041360455 1231519696 /nfs/dbraw/zinc/51/96/96/1231519696.db2.gz YMEFYDPXCZALQJ-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(CC)CC)C2)C1 ZINC001041368239 1231521625 /nfs/dbraw/zinc/52/16/25/1231521625.db2.gz KUSHABQHEWMWGE-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(CC)CC)C2)C1 ZINC001041368239 1231521628 /nfs/dbraw/zinc/52/16/28/1231521628.db2.gz KUSHABQHEWMWGE-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001041368239 1231521630 /nfs/dbraw/zinc/52/16/30/1231521630.db2.gz KUSHABQHEWMWGE-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001041368239 1231521632 /nfs/dbraw/zinc/52/16/32/1231521632.db2.gz KUSHABQHEWMWGE-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041584647 1231608795 /nfs/dbraw/zinc/60/87/95/1231608795.db2.gz BWRHIPAQUSAAAI-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041584647 1231608796 /nfs/dbraw/zinc/60/87/96/1231608796.db2.gz BWRHIPAQUSAAAI-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041584647 1231608798 /nfs/dbraw/zinc/60/87/98/1231608798.db2.gz BWRHIPAQUSAAAI-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041679867 1231647923 /nfs/dbraw/zinc/64/79/23/1231647923.db2.gz PHQSUWGUVLIYMM-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001041679867 1231647920 /nfs/dbraw/zinc/64/79/20/1231647920.db2.gz PHQSUWGUVLIYMM-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041679867 1231647921 /nfs/dbraw/zinc/64/79/21/1231647921.db2.gz PHQSUWGUVLIYMM-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041679867 1231647924 /nfs/dbraw/zinc/64/79/24/1231647924.db2.gz PHQSUWGUVLIYMM-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042305646 1232018536 /nfs/dbraw/zinc/01/85/36/1232018536.db2.gz BYNBCPUKDCFUPM-AZUAARDMSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943526 1234202797 /nfs/dbraw/zinc/20/27/97/1234202797.db2.gz KGYONYOKEYXGFG-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961140 1234236076 /nfs/dbraw/zinc/23/60/76/1234236076.db2.gz HMNXQRAIONJSCZ-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001045961140 1234236080 /nfs/dbraw/zinc/23/60/80/1234236080.db2.gz HMNXQRAIONJSCZ-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001045961140 1234236085 /nfs/dbraw/zinc/23/60/85/1234236085.db2.gz HMNXQRAIONJSCZ-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047258112 1235763288 /nfs/dbraw/zinc/76/32/88/1235763288.db2.gz XHZNAGSXXQWOCY-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265702 1235779064 /nfs/dbraw/zinc/77/90/64/1235779064.db2.gz VRUZPNDKGFYCCU-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098043412 1249584879 /nfs/dbraw/zinc/58/48/79/1249584879.db2.gz FMHZPGNOUSZZMM-QRVBRYPASA-N 2 1 325.456 2.107 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001096314561 1237330031 /nfs/dbraw/zinc/33/00/31/1237330031.db2.gz NHADAURKYNHUFD-XWSJACJDSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096314561 1237330037 /nfs/dbraw/zinc/33/00/37/1237330037.db2.gz NHADAURKYNHUFD-XWSJACJDSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096314561 1237330042 /nfs/dbraw/zinc/33/00/42/1237330042.db2.gz NHADAURKYNHUFD-XWSJACJDSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096314561 1237330051 /nfs/dbraw/zinc/33/00/51/1237330051.db2.gz NHADAURKYNHUFD-XWSJACJDSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583587 1238023371 /nfs/dbraw/zinc/02/33/71/1238023371.db2.gz MULKCAPGWNGOML-FSGKZVOOSA-N 2 1 345.531 2.489 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC001000153803 1240003543 /nfs/dbraw/zinc/00/35/43/1240003543.db2.gz LSYWEZMONVKZAN-HKUYNNGSSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049472792 1241052951 /nfs/dbraw/zinc/05/29/51/1241052951.db2.gz HCRCRALNZRBRMU-DFQSSKMNSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001049472792 1241052955 /nfs/dbraw/zinc/05/29/55/1241052955.db2.gz HCRCRALNZRBRMU-DFQSSKMNSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001049472792 1241052962 /nfs/dbraw/zinc/05/29/62/1241052962.db2.gz HCRCRALNZRBRMU-DFQSSKMNSA-N 2 1 343.515 2.340 20 30 EEEDMP C=CC[N@H+](CCc1ccccc1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903887151 1242330469 /nfs/dbraw/zinc/33/04/69/1242330469.db2.gz XVCMRGUEGRTESK-SFHVURJKSA-N 2 1 325.460 2.433 20 30 EEEDMP C=CC[N@@H+](CCc1ccccc1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903887151 1242330481 /nfs/dbraw/zinc/33/04/81/1242330481.db2.gz XVCMRGUEGRTESK-SFHVURJKSA-N 2 1 325.460 2.433 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001049842096 1242381964 /nfs/dbraw/zinc/38/19/64/1242381964.db2.gz UXXPWBZPROKEJF-HRCADAONSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001049842096 1242381974 /nfs/dbraw/zinc/38/19/74/1242381974.db2.gz UXXPWBZPROKEJF-HRCADAONSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049842096 1242381986 /nfs/dbraw/zinc/38/19/86/1242381986.db2.gz UXXPWBZPROKEJF-HRCADAONSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049842096 1242381999 /nfs/dbraw/zinc/38/19/99/1242381999.db2.gz UXXPWBZPROKEJF-HRCADAONSA-N 2 1 325.884 2.146 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3C/C=C/Cl)CC1 ZINC001049920258 1242713915 /nfs/dbraw/zinc/71/39/15/1242713915.db2.gz RCUMWNOWEBPEQT-SDDHYBKLSA-N 2 1 349.906 2.149 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](C)CC)CC1 ZINC001096605529 1242779042 /nfs/dbraw/zinc/77/90/42/1242779042.db2.gz SEGNIMTWDSDPGI-YSHGAJCASA-N 2 1 331.504 2.099 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517875 1243770371 /nfs/dbraw/zinc/77/03/71/1243770371.db2.gz IXFWTAWDGWYJAQ-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712097 1244810694 /nfs/dbraw/zinc/81/06/94/1244810694.db2.gz FHIGBPNNJQWXOW-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712097 1244810698 /nfs/dbraw/zinc/81/06/98/1244810698.db2.gz FHIGBPNNJQWXOW-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029942 1245715161 /nfs/dbraw/zinc/71/51/61/1245715161.db2.gz YRGPFMKQOIWGST-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159245 1247563847 /nfs/dbraw/zinc/56/38/47/1247563847.db2.gz UTFPPAMUIUAVAS-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159245 1247563852 /nfs/dbraw/zinc/56/38/52/1247563852.db2.gz UTFPPAMUIUAVAS-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159245 1247563863 /nfs/dbraw/zinc/56/38/63/1247563863.db2.gz UTFPPAMUIUAVAS-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054222881 1247761601 /nfs/dbraw/zinc/76/16/01/1247761601.db2.gz KUZHJDMRNFSNQP-OAQYLSRUSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001098191712 1257620357 /nfs/dbraw/zinc/62/03/57/1257620357.db2.gz NHADAURKYNHUFD-YRXWBPOGSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001098191712 1257620361 /nfs/dbraw/zinc/62/03/61/1257620361.db2.gz NHADAURKYNHUFD-YRXWBPOGSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001098191712 1257620365 /nfs/dbraw/zinc/62/03/65/1257620365.db2.gz NHADAURKYNHUFD-YRXWBPOGSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001098191712 1257620369 /nfs/dbraw/zinc/62/03/69/1257620369.db2.gz NHADAURKYNHUFD-YRXWBPOGSA-N 2 1 331.504 2.386 20 30 EEEDMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001185723507 1278765692 /nfs/dbraw/zinc/76/56/92/1278765692.db2.gz KZAZPYJHACMWQS-GOSISDBHSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191988541 1281735829 /nfs/dbraw/zinc/73/58/29/1281735829.db2.gz MJRDOHNCDWBOCZ-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191988541 1281735830 /nfs/dbraw/zinc/73/58/30/1281735830.db2.gz MJRDOHNCDWBOCZ-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP CCCCCCC[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832861 1284825762 /nfs/dbraw/zinc/82/57/62/1284825762.db2.gz QKGMKNCOAOULMB-UHFFFAOYSA-N 2 1 327.513 2.069 20 30 EEEDMP C=CC[NH2+][C@H](CNC(=O)C(C)(C)[N@H+](C)CC)c1ccccc1OC ZINC001198776157 1285355358 /nfs/dbraw/zinc/35/53/58/1285355358.db2.gz OCJHXODKVFEJOD-MRXNPFEDSA-N 2 1 333.476 2.358 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCC(=C)C)C2)CC1 ZINC001072095417 1295235384 /nfs/dbraw/zinc/23/53/84/1295235384.db2.gz HXTFNCGUMIEWOY-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC1CCCC1)C2 ZINC001072822609 1296183627 /nfs/dbraw/zinc/18/36/27/1296183627.db2.gz PNCGYDAWYAFOQE-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC1CCCC1)C2 ZINC001072822609 1296183633 /nfs/dbraw/zinc/18/36/33/1296183633.db2.gz PNCGYDAWYAFOQE-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCC1CCCC1)C2 ZINC001072822609 1296183636 /nfs/dbraw/zinc/18/36/36/1296183636.db2.gz PNCGYDAWYAFOQE-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2 ZINC001072822609 1296183642 /nfs/dbraw/zinc/18/36/42/1296183642.db2.gz PNCGYDAWYAFOQE-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544392 1296935959 /nfs/dbraw/zinc/93/59/59/1296935959.db2.gz SPEPMPCWQDZHRW-QGPMSJSTSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037366 1297914900 /nfs/dbraw/zinc/91/49/00/1297914900.db2.gz GKILDGDLRCLDDW-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001099296017 1299002882 /nfs/dbraw/zinc/00/28/82/1299002882.db2.gz DPOOAEXSOBUOOO-BYNSBNAKSA-N 2 1 347.425 2.272 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015921 1300143452 /nfs/dbraw/zinc/14/34/52/1300143452.db2.gz VPCDPUIGRUZFOY-BRWVUGGUSA-N 2 1 327.488 2.317 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224288977 1300529493 /nfs/dbraw/zinc/52/94/93/1300529493.db2.gz CUJWSFFDGORCQI-MOPGFXCFSA-N 2 1 331.504 2.199 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001102496003 1301146151 /nfs/dbraw/zinc/14/61/51/1301146151.db2.gz YPBJDHIRLACHHP-UYAOXDASSA-N 2 1 341.499 2.064 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001102496003 1301146152 /nfs/dbraw/zinc/14/61/52/1301146152.db2.gz YPBJDHIRLACHHP-UYAOXDASSA-N 2 1 341.499 2.064 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001102496003 1301146153 /nfs/dbraw/zinc/14/61/53/1301146153.db2.gz YPBJDHIRLACHHP-UYAOXDASSA-N 2 1 341.499 2.064 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001226768078 1301545968 /nfs/dbraw/zinc/54/59/68/1301545968.db2.gz ZKRZLFRSLMPFHK-GUDVDZBRSA-N 2 1 331.504 2.434 20 30 EEEDMP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001227899744 1302002645 /nfs/dbraw/zinc/00/26/45/1302002645.db2.gz IVXNOFUPBRJLAK-KRWDZBQOSA-N 2 1 348.516 2.287 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987635 1302029742 /nfs/dbraw/zinc/02/97/42/1302029742.db2.gz KVRWQLRXUDBTCY-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230286391 1303142821 /nfs/dbraw/zinc/14/28/21/1303142821.db2.gz KFYCUMJMLXAULF-GUDVDZBRSA-N 2 1 327.472 2.330 20 30 EEEDMP CC(C)OCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277657441 1304101996 /nfs/dbraw/zinc/10/19/96/1304101996.db2.gz JQDOMXVRRLYYON-KDURUIRLSA-N 2 1 344.503 2.466 20 30 EEEDMP CC(C)OCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277657441 1304102000 /nfs/dbraw/zinc/10/20/00/1304102000.db2.gz JQDOMXVRRLYYON-KDURUIRLSA-N 2 1 344.503 2.466 20 30 EEEDMP CC(C)OCC[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277657441 1304102008 /nfs/dbraw/zinc/10/20/08/1304102008.db2.gz JQDOMXVRRLYYON-KDURUIRLSA-N 2 1 344.503 2.466 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001112111280 1304249588 /nfs/dbraw/zinc/24/95/88/1304249588.db2.gz ORIFPFZNVXAMHD-RBSFLKMASA-N 2 1 347.425 2.416 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1 ZINC001112404271 1304525681 /nfs/dbraw/zinc/52/56/81/1304525681.db2.gz QIMNCHFZKAEYNH-ZJOUEHCJSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1 ZINC001112404271 1304525687 /nfs/dbraw/zinc/52/56/87/1304525687.db2.gz QIMNCHFZKAEYNH-ZJOUEHCJSA-N 2 1 343.515 2.102 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001115305735 1304919997 /nfs/dbraw/zinc/91/99/97/1304919997.db2.gz BYYBEJZEUMGLEG-HZMVEIRTSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001115305735 1304919999 /nfs/dbraw/zinc/91/99/99/1304919999.db2.gz BYYBEJZEUMGLEG-HZMVEIRTSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546402 1305318782 /nfs/dbraw/zinc/31/87/82/1305318782.db2.gz KKINLFMBHNPFMZ-QZTJIDSGSA-N 2 1 349.519 2.225 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)Cn2c[nH+]c3c2CCCC3)CCCCC1 ZINC001115632144 1305544489 /nfs/dbraw/zinc/54/44/89/1305544489.db2.gz XFCIIGLJTLXJKT-UHFFFAOYSA-N 2 1 342.487 2.194 20 30 EEEDMP N#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)nc1 ZINC001278371228 1309863598 /nfs/dbraw/zinc/86/35/98/1309863598.db2.gz DHFQLXCTSGUUMS-UHFFFAOYSA-N 2 1 349.438 2.152 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160866373 1320296359 /nfs/dbraw/zinc/29/63/59/1320296359.db2.gz BFAHPEKRAFRDGR-ZIAGYGMSSA-N 2 1 344.297 2.008 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001161683472 1320586857 /nfs/dbraw/zinc/58/68/57/1320586857.db2.gz XCHCCBZJQNHPLV-FQEVSTJZSA-N 2 1 339.483 2.451 20 30 EEEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001161683472 1320586859 /nfs/dbraw/zinc/58/68/59/1320586859.db2.gz XCHCCBZJQNHPLV-FQEVSTJZSA-N 2 1 339.483 2.451 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001161683472 1320586861 /nfs/dbraw/zinc/58/68/61/1320586861.db2.gz XCHCCBZJQNHPLV-FQEVSTJZSA-N 2 1 339.483 2.451 20 30 EEEDMP C=CCOc1ccc(-c2noc([C@@H]([NH3+])CSCC[NH3+])n2)c(F)c1 ZINC001206631452 1315953369 /nfs/dbraw/zinc/95/33/69/1315953369.db2.gz ZCYYIGOSYAICDM-ZDUSSCGKSA-N 2 1 338.408 2.132 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149847710 1316065407 /nfs/dbraw/zinc/06/54/07/1316065407.db2.gz HVXYRAFTEOJSTK-SJORKVTESA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149891217 1316080640 /nfs/dbraw/zinc/08/06/40/1316080640.db2.gz XKBSIDBGVQMSBE-ZWKOTPCHSA-N 2 1 339.524 2.280 20 30 EEEDMP CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927341 1318293151 /nfs/dbraw/zinc/29/31/51/1318293151.db2.gz MDTXPNPKSLNUKK-OAHLLOKOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158539720 1319293391 /nfs/dbraw/zinc/29/33/91/1319293391.db2.gz AZEKUHCITHNYDU-QGZVFWFLSA-N 2 1 330.476 2.343 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158539720 1319293395 /nfs/dbraw/zinc/29/33/95/1319293395.db2.gz AZEKUHCITHNYDU-QGZVFWFLSA-N 2 1 330.476 2.343 20 30 EEEDMP C#CC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169468 1320090011 /nfs/dbraw/zinc/09/00/11/1320090011.db2.gz RYJAMAYKHKJNRM-MRXNPFEDSA-N 2 1 328.460 2.168 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169468 1320090012 /nfs/dbraw/zinc/09/00/12/1320090012.db2.gz RYJAMAYKHKJNRM-MRXNPFEDSA-N 2 1 328.460 2.168 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(Cl)c1 ZINC001160198252 1320096913 /nfs/dbraw/zinc/09/69/13/1320096913.db2.gz YJZRKPLQWGGTSJ-KRWDZBQOSA-N 2 1 333.863 2.034 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(Cl)c1 ZINC001160198252 1320096914 /nfs/dbraw/zinc/09/69/14/1320096914.db2.gz YJZRKPLQWGGTSJ-KRWDZBQOSA-N 2 1 333.863 2.034 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285181 1320122586 /nfs/dbraw/zinc/12/25/86/1320122586.db2.gz DFYSWPBLJZMQKI-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285181 1320122589 /nfs/dbraw/zinc/12/25/89/1320122589.db2.gz DFYSWPBLJZMQKI-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285181 1320122592 /nfs/dbraw/zinc/12/25/92/1320122592.db2.gz DFYSWPBLJZMQKI-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c1 ZINC001160866295 1320295861 /nfs/dbraw/zinc/29/58/61/1320295861.db2.gz AMPYTYPYFBGDDG-OALUTQOASA-N 2 1 340.471 2.171 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001160870473 1320299201 /nfs/dbraw/zinc/29/92/01/1320299201.db2.gz YAUOPFQOIJIDSF-RTBURBONSA-N 2 1 340.471 2.171 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986386 1320344348 /nfs/dbraw/zinc/34/43/48/1320344348.db2.gz RVFPDAHNDVPYHC-LJQANCHMSA-N 2 1 331.504 2.270 20 30 EEEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986386 1320344352 /nfs/dbraw/zinc/34/43/52/1320344352.db2.gz RVFPDAHNDVPYHC-LJQANCHMSA-N 2 1 331.504 2.270 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986386 1320344355 /nfs/dbraw/zinc/34/43/55/1320344355.db2.gz RVFPDAHNDVPYHC-LJQANCHMSA-N 2 1 331.504 2.270 20 30 EEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001206282684 1323447113 /nfs/dbraw/zinc/44/71/13/1323447113.db2.gz WITNSANLVNQTGP-UHFFFAOYSA-N 2 1 346.475 2.288 20 30 EEEDMP C[NH+]1CCC(CN2CC[NH+](CCCc3cccc(C#N)c3)CC2)CC1 ZINC001208854159 1324691902 /nfs/dbraw/zinc/69/19/02/1324691902.db2.gz JZVOJYQHECCOMG-UHFFFAOYSA-N 2 1 340.515 2.450 20 30 EEEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C1 ZINC001276608081 1324761914 /nfs/dbraw/zinc/76/19/14/1324761914.db2.gz KHHIXLWGMRLPHN-UHFFFAOYSA-N 2 1 343.519 2.136 20 30 EEEDMP Cn1cc(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)cc1C#N ZINC001276608081 1324761919 /nfs/dbraw/zinc/76/19/19/1324761919.db2.gz KHHIXLWGMRLPHN-UHFFFAOYSA-N 2 1 343.519 2.136 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210243082 1325211351 /nfs/dbraw/zinc/21/13/51/1325211351.db2.gz FCUDDNTWKMRBGT-BHIYHBOVSA-N 2 1 327.472 2.139 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210243082 1325211357 /nfs/dbraw/zinc/21/13/57/1325211357.db2.gz FCUDDNTWKMRBGT-BHIYHBOVSA-N 2 1 327.472 2.139 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243082 1325211362 /nfs/dbraw/zinc/21/13/62/1325211362.db2.gz FCUDDNTWKMRBGT-BHIYHBOVSA-N 2 1 327.472 2.139 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243082 1325211369 /nfs/dbraw/zinc/21/13/69/1325211369.db2.gz FCUDDNTWKMRBGT-BHIYHBOVSA-N 2 1 327.472 2.139 20 30 EEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001100690699 1338648305 /nfs/dbraw/zinc/64/83/05/1338648305.db2.gz QPBRSLQLQLFOSY-HFPIOELMSA-N 2 1 341.499 2.392 20 30 EEEDMP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001574925291 1343712373 /nfs/dbraw/zinc/71/23/73/1343712373.db2.gz MKKXGOQULPYGOJ-BBWFWOEESA-N 2 1 346.523 2.445 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC001202146860 1368881529 /nfs/dbraw/zinc/88/15/29/1368881529.db2.gz CHIUFCKMDBOTTC-RBUKOAKNSA-N 2 1 345.487 2.073 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578691 1368913636 /nfs/dbraw/zinc/91/36/36/1368913636.db2.gz TVCPYHQERMQRAU-VQHPVUNQSA-N 2 1 328.460 2.141 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578691 1368913638 /nfs/dbraw/zinc/91/36/38/1368913638.db2.gz TVCPYHQERMQRAU-VQHPVUNQSA-N 2 1 328.460 2.141 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CCC3)C2)CC1 ZINC001072096207 1370605797 /nfs/dbraw/zinc/60/57/97/1370605797.db2.gz VLGOWORLMKQSKH-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902931 1371294668 /nfs/dbraw/zinc/29/46/68/1371294668.db2.gz ZIZATXNOEFKGRU-ICSRJNTNSA-N 2 1 349.519 2.036 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902931 1371294674 /nfs/dbraw/zinc/29/46/74/1371294674.db2.gz ZIZATXNOEFKGRU-ICSRJNTNSA-N 2 1 349.519 2.036 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112428895 1371440739 /nfs/dbraw/zinc/44/07/39/1371440739.db2.gz PLEAPKXBWDGLCU-JZXOWHBKSA-N 2 1 339.911 2.442 20 30 EEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001122248484 1371955009 /nfs/dbraw/zinc/95/50/09/1371955009.db2.gz IVQDIMRGDZIZGN-QAELIBMJSA-N 2 1 327.472 2.492 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)s1 ZINC001366531992 1373940094 /nfs/dbraw/zinc/94/00/94/1373940094.db2.gz XHSCIDNJKPHRFW-MRXNPFEDSA-N 2 1 334.489 2.041 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)s1 ZINC001366531992 1373940102 /nfs/dbraw/zinc/94/01/02/1373940102.db2.gz XHSCIDNJKPHRFW-MRXNPFEDSA-N 2 1 334.489 2.041 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001366531992 1373940108 /nfs/dbraw/zinc/94/01/08/1373940108.db2.gz XHSCIDNJKPHRFW-MRXNPFEDSA-N 2 1 334.489 2.041 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001366531992 1373940109 /nfs/dbraw/zinc/94/01/09/1373940109.db2.gz XHSCIDNJKPHRFW-MRXNPFEDSA-N 2 1 334.489 2.041 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001375520627 1377812766 /nfs/dbraw/zinc/81/27/66/1377812766.db2.gz YYDKEIWOVMWMDA-WOVMCDHWSA-N 2 1 346.450 2.024 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001377863785 1379551214 /nfs/dbraw/zinc/55/12/14/1379551214.db2.gz VJMCHRPMVVITID-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001377863785 1379551220 /nfs/dbraw/zinc/55/12/20/1379551220.db2.gz VJMCHRPMVVITID-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001377863785 1379551227 /nfs/dbraw/zinc/55/12/27/1379551227.db2.gz VJMCHRPMVVITID-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001391335092 1389273434 /nfs/dbraw/zinc/27/34/34/1389273434.db2.gz GMEXXGKOPQGEBL-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001391335092 1389273443 /nfs/dbraw/zinc/27/34/43/1389273443.db2.gz GMEXXGKOPQGEBL-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001391335092 1389273453 /nfs/dbraw/zinc/27/34/53/1389273453.db2.gz GMEXXGKOPQGEBL-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C ZINC001394672824 1390735932 /nfs/dbraw/zinc/73/59/32/1390735932.db2.gz SNDOPLCCIUHBJS-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001752910707 1406536562 /nfs/dbraw/zinc/53/65/62/1406536562.db2.gz UVGOOWWYHDNPLN-HUUCEWRRSA-N 2 1 327.432 2.330 20 30 EEEDMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001423071971 1400399454 /nfs/dbraw/zinc/39/94/54/1400399454.db2.gz BAENBOBTHHXZLB-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001424320372 1401058353 /nfs/dbraw/zinc/05/83/53/1401058353.db2.gz LAFDYKZPWUKTFX-KRWDZBQOSA-N 2 1 342.487 2.180 20 30 EEEDMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001424320372 1401058360 /nfs/dbraw/zinc/05/83/60/1401058360.db2.gz LAFDYKZPWUKTFX-KRWDZBQOSA-N 2 1 342.487 2.180 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC001574673148 1403524673 /nfs/dbraw/zinc/52/46/73/1403524673.db2.gz HZRSKWVMQAWYKD-IBGZPJMESA-N 2 1 339.483 2.056 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC001574673148 1403524675 /nfs/dbraw/zinc/52/46/75/1403524675.db2.gz HZRSKWVMQAWYKD-IBGZPJMESA-N 2 1 339.483 2.056 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]21 ZINC001755708194 1407761934 /nfs/dbraw/zinc/76/19/34/1407761934.db2.gz LEZWXQVGAWVBTM-YZGWKJHDSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001755711805 1407766325 /nfs/dbraw/zinc/76/63/25/1407766325.db2.gz IJXCAFJCDJMJCG-OKZBNKHCSA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001755770236 1407831547 /nfs/dbraw/zinc/83/15/47/1407831547.db2.gz QJZDZDCXZFVODB-ZIAGYGMSSA-N 2 1 335.414 2.129 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCc1ccc(CN2CCC[N@@H+](C)CC2)cc1 ZINC000303900755 1409792026 /nfs/dbraw/zinc/79/20/26/1409792026.db2.gz WXUHDQFGIZTNNK-UHFFFAOYSA-N 2 1 345.535 2.275 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCN(C)CC2)cc1 ZINC000303900755 1409792029 /nfs/dbraw/zinc/79/20/29/1409792029.db2.gz WXUHDQFGIZTNNK-UHFFFAOYSA-N 2 1 345.535 2.275 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCc1ccc(C[N@H+]2CCCN(C)CC2)cc1 ZINC000303900755 1409792032 /nfs/dbraw/zinc/79/20/32/1409792032.db2.gz WXUHDQFGIZTNNK-UHFFFAOYSA-N 2 1 345.535 2.275 20 30 EEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001121245035 1410218079 /nfs/dbraw/zinc/21/80/79/1410218079.db2.gz BVBWHZOCQUNNCD-SIBBFIEHSA-N 2 1 328.460 2.354 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001100459182 1410655773 /nfs/dbraw/zinc/65/57/73/1410655773.db2.gz UJBAVAULFJUNNI-UHFFFAOYSA-N 2 1 342.487 2.273 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001103632677 1410738426 /nfs/dbraw/zinc/73/84/26/1410738426.db2.gz RPPFBIFKTJTWIG-DBXWQHBBSA-N 2 1 341.499 2.171 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648968 1410741483 /nfs/dbraw/zinc/74/14/83/1410741483.db2.gz XJERJCMHWVNYEP-HZPDHXFCSA-N 2 1 330.476 2.412 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075449442 760425029 /nfs/dbraw/zinc/42/50/29/760425029.db2.gz JDXUUYGPSHRAIF-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449442 760425033 /nfs/dbraw/zinc/42/50/33/760425033.db2.gz JDXUUYGPSHRAIF-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449442 760425035 /nfs/dbraw/zinc/42/50/35/760425035.db2.gz JDXUUYGPSHRAIF-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454087 760709311 /nfs/dbraw/zinc/70/93/11/760709311.db2.gz KTWKWOTZRZMSLM-XLIONFOSSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087305953 761553084 /nfs/dbraw/zinc/55/30/84/761553084.db2.gz AZDWOFABIGMJRW-MISYRCLQSA-N 2 1 345.531 2.347 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087313903 761597560 /nfs/dbraw/zinc/59/75/60/761597560.db2.gz BQHFFKPYFABCNM-IKGGRYGDSA-N 2 1 331.504 2.264 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CC=C)[C@@H]3C2(C)C)CC1 ZINC001087317320 761613321 /nfs/dbraw/zinc/61/33/21/761613321.db2.gz GRCCSJHQQZMVOB-QRVBRYPASA-N 2 1 343.515 2.123 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971885 782671689 /nfs/dbraw/zinc/67/16/89/782671689.db2.gz YKJNMFKWJPARPO-KURKYZTESA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971885 782671692 /nfs/dbraw/zinc/67/16/92/782671692.db2.gz YKJNMFKWJPARPO-KURKYZTESA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC=C)CC(C)(C)C1 ZINC001089408442 768830204 /nfs/dbraw/zinc/83/02/04/768830204.db2.gz AAZWYDSSKGLWDE-MSOLQXFVSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC=C)CC(C)(C)C1 ZINC001089408442 768830215 /nfs/dbraw/zinc/83/02/15/768830215.db2.gz AAZWYDSSKGLWDE-MSOLQXFVSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC=C)CC(C)(C)C1 ZINC001089408442 768830226 /nfs/dbraw/zinc/83/02/26/768830226.db2.gz AAZWYDSSKGLWDE-MSOLQXFVSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC=C)CC(C)(C)C1 ZINC001089408442 768830237 /nfs/dbraw/zinc/83/02/37/768830237.db2.gz AAZWYDSSKGLWDE-MSOLQXFVSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC=C)CC(C)(C)C1 ZINC001089408442 768830252 /nfs/dbraw/zinc/83/02/52/768830252.db2.gz AAZWYDSSKGLWDE-MSOLQXFVSA-N 2 1 331.504 2.267 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105097155 769060978 /nfs/dbraw/zinc/06/09/78/769060978.db2.gz MGHRYCCDDFUBEN-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105097155 769060988 /nfs/dbraw/zinc/06/09/88/769060988.db2.gz MGHRYCCDDFUBEN-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089511360 770029394 /nfs/dbraw/zinc/02/93/94/770029394.db2.gz RKGHZXNSKGDMDA-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]2C1 ZINC001088077145 782869437 /nfs/dbraw/zinc/86/94/37/782869437.db2.gz LJKVQLOYAVYWGL-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077145 782869446 /nfs/dbraw/zinc/86/94/46/782869446.db2.gz LJKVQLOYAVYWGL-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077145 782869454 /nfs/dbraw/zinc/86/94/54/782869454.db2.gz LJKVQLOYAVYWGL-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980179955 774012086 /nfs/dbraw/zinc/01/20/86/774012086.db2.gz UFMABIGHKCYHCL-GVDBMIGSSA-N 2 1 339.911 2.297 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980182694 774019880 /nfs/dbraw/zinc/01/98/80/774019880.db2.gz DLZWUYMVTHIABG-KSZLIROESA-N 2 1 342.487 2.247 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980182694 774019886 /nfs/dbraw/zinc/01/98/86/774019886.db2.gz DLZWUYMVTHIABG-KSZLIROESA-N 2 1 342.487 2.247 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001089849868 777994319 /nfs/dbraw/zinc/99/43/19/777994319.db2.gz KHFWCRIHOJPMEV-MUGJNUQGSA-N 2 1 345.531 2.463 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981771926 778172051 /nfs/dbraw/zinc/17/20/51/778172051.db2.gz GIYPJSRLOYMNIL-INIZCTEOSA-N 2 1 337.895 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981771926 778172057 /nfs/dbraw/zinc/17/20/57/778172057.db2.gz GIYPJSRLOYMNIL-INIZCTEOSA-N 2 1 337.895 2.005 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772457 778172679 /nfs/dbraw/zinc/17/26/79/778172679.db2.gz VXXCCXOYYOUMNG-SFHVURJKSA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279994 779518212 /nfs/dbraw/zinc/51/82/12/779518212.db2.gz PPKSAHBXDKNLKE-JYRKZWEQSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279994 779518220 /nfs/dbraw/zinc/51/82/20/779518220.db2.gz PPKSAHBXDKNLKE-JYRKZWEQSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@]2(C)C1 ZINC000982304651 779645364 /nfs/dbraw/zinc/64/53/64/779645364.db2.gz HRAZJBYERGLFFW-KDURUIRLSA-N 2 1 331.504 2.219 20 30 EEEDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000236876909 779670733 /nfs/dbraw/zinc/67/07/33/779670733.db2.gz BDXFJEQSKNHISW-SFHVURJKSA-N 2 1 344.503 2.485 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001088326767 783514638 /nfs/dbraw/zinc/51/46/38/783514638.db2.gz XNTKZOBFWAATJS-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001035102579 783731013 /nfs/dbraw/zinc/73/10/13/783731013.db2.gz OONCTEGHFDOBPY-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001135437054 783766309 /nfs/dbraw/zinc/76/63/09/783766309.db2.gz LKEMBNRXYPDPEL-UHFFFAOYSA-N 2 1 330.476 2.276 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001035194820 784085230 /nfs/dbraw/zinc/08/52/30/784085230.db2.gz GIVFLJDLUOCWOX-MSOLQXFVSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C[C@H](F)CC)C2)CC1 ZINC001035194820 784085236 /nfs/dbraw/zinc/08/52/36/784085236.db2.gz GIVFLJDLUOCWOX-MSOLQXFVSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001035194820 784085245 /nfs/dbraw/zinc/08/52/45/784085245.db2.gz GIVFLJDLUOCWOX-MSOLQXFVSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C[C@H](F)CC)C2)CC1 ZINC001035194820 784085251 /nfs/dbraw/zinc/08/52/51/784085251.db2.gz GIVFLJDLUOCWOX-MSOLQXFVSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C[C@H](F)CC)C2)CC1 ZINC001035194820 784085257 /nfs/dbraw/zinc/08/52/57/784085257.db2.gz GIVFLJDLUOCWOX-MSOLQXFVSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035237397 784156382 /nfs/dbraw/zinc/15/63/82/784156382.db2.gz JQLVWSKZMWMWKF-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035237397 784156391 /nfs/dbraw/zinc/15/63/91/784156391.db2.gz JQLVWSKZMWMWKF-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035237397 784156397 /nfs/dbraw/zinc/15/63/97/784156397.db2.gz JQLVWSKZMWMWKF-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035238813 784160342 /nfs/dbraw/zinc/16/03/42/784160342.db2.gz HGUNFTMZLOBZTJ-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1(C)C ZINC000996042872 785973872 /nfs/dbraw/zinc/97/38/72/785973872.db2.gz NJTLJZLIYPZARE-KRWDZBQOSA-N 2 1 330.476 2.165 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424474 787198821 /nfs/dbraw/zinc/19/88/21/787198821.db2.gz PWOMSFQJGYXKHN-YQVWRLOYSA-N 2 1 337.483 2.050 20 30 EEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000996996942 788427673 /nfs/dbraw/zinc/42/76/73/788427673.db2.gz AUKCANOWWRUNPY-SFHVURJKSA-N 2 1 325.472 2.356 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859178 788820805 /nfs/dbraw/zinc/82/08/05/788820805.db2.gz MLMNEAILRZFIGL-YSTOQKLRSA-N 2 1 345.531 2.301 20 30 EEEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001109732905 805911616 /nfs/dbraw/zinc/91/16/16/805911616.db2.gz BDJJZVQPMLOIAS-XWSJACJDSA-N 2 1 340.471 2.120 20 30 EEEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001109732905 805911623 /nfs/dbraw/zinc/91/16/23/805911623.db2.gz BDJJZVQPMLOIAS-XWSJACJDSA-N 2 1 340.471 2.120 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946895177 789459874 /nfs/dbraw/zinc/45/98/74/789459874.db2.gz QIEZDLUNPINKPD-HDICACEKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946895177 789459878 /nfs/dbraw/zinc/45/98/78/789459878.db2.gz QIEZDLUNPINKPD-HDICACEKSA-N 2 1 330.476 2.328 20 30 EEEDMP C#Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001144569137 789949216 /nfs/dbraw/zinc/94/92/16/789949216.db2.gz LECHGQTUWDUIMN-RTWAWAEBSA-N 2 1 334.467 2.355 20 30 EEEDMP C#Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001144569137 789949219 /nfs/dbraw/zinc/94/92/19/789949219.db2.gz LECHGQTUWDUIMN-RTWAWAEBSA-N 2 1 334.467 2.355 20 30 EEEDMP C#Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001144569137 789949220 /nfs/dbraw/zinc/94/92/20/789949220.db2.gz LECHGQTUWDUIMN-RTWAWAEBSA-N 2 1 334.467 2.355 20 30 EEEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001144569137 789949222 /nfs/dbraw/zinc/94/92/22/789949222.db2.gz LECHGQTUWDUIMN-RTWAWAEBSA-N 2 1 334.467 2.355 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001146592997 791361664 /nfs/dbraw/zinc/36/16/64/791361664.db2.gz LPYPIMSQGRRZGY-HUUCEWRRSA-N 2 1 348.466 2.410 20 30 EEEDMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001147359945 791800129 /nfs/dbraw/zinc/80/01/29/791800129.db2.gz XQNYLNSWPFEALG-IBGZPJMESA-N 2 1 342.487 2.419 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998103152 791971458 /nfs/dbraw/zinc/97/14/58/791971458.db2.gz PHXJRNZYMMRJJD-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998103152 791971466 /nfs/dbraw/zinc/97/14/66/791971466.db2.gz PHXJRNZYMMRJJD-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998103152 791971471 /nfs/dbraw/zinc/97/14/71/791971471.db2.gz PHXJRNZYMMRJJD-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938044 793023622 /nfs/dbraw/zinc/02/36/22/793023622.db2.gz GNIICBBSXNLQSE-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407888 793362013 /nfs/dbraw/zinc/36/20/13/793362013.db2.gz HJLBLYKSNVQGBK-IAGOWNOFSA-N 2 1 339.524 2.257 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000999391934 794404331 /nfs/dbraw/zinc/40/43/31/794404331.db2.gz OEPBUUDUGPCHSX-HKUYNNGSSA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](CC)CC)o3)CCC[C@@H]12 ZINC000992518796 794486869 /nfs/dbraw/zinc/48/68/69/794486869.db2.gz SMDMLAPUAOTUKT-UYAOXDASSA-N 2 1 343.471 2.481 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093120545 794653077 /nfs/dbraw/zinc/65/30/77/794653077.db2.gz KZEFYHAMPGQHTR-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120545 794653081 /nfs/dbraw/zinc/65/30/81/794653081.db2.gz KZEFYHAMPGQHTR-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120545 794653088 /nfs/dbraw/zinc/65/30/88/794653088.db2.gz KZEFYHAMPGQHTR-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@H]21 ZINC001036774452 794922733 /nfs/dbraw/zinc/92/27/33/794922733.db2.gz FUHAZLQGAGYFKD-FUHWJXTLSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@H]21 ZINC001036774452 794922738 /nfs/dbraw/zinc/92/27/38/794922738.db2.gz FUHAZLQGAGYFKD-FUHWJXTLSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036810432 795215545 /nfs/dbraw/zinc/21/55/45/795215545.db2.gz BKLFQAKRUCPPDY-HOTGVXAUSA-N 2 1 325.884 2.004 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001093599139 795439408 /nfs/dbraw/zinc/43/94/08/795439408.db2.gz QLTRCPSXJSQVLT-LJQANCHMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001093599139 795439412 /nfs/dbraw/zinc/43/94/12/795439412.db2.gz QLTRCPSXJSQVLT-LJQANCHMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667190 796074379 /nfs/dbraw/zinc/07/43/79/796074379.db2.gz NCQNWWDPZAJTIY-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)C)CC2 ZINC001094436409 796242693 /nfs/dbraw/zinc/24/26/93/796242693.db2.gz QVUMBGOVWJKAAQ-QKNQBKEWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)C)CC2 ZINC001094436409 796242698 /nfs/dbraw/zinc/24/26/98/796242698.db2.gz QVUMBGOVWJKAAQ-QKNQBKEWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001094436409 796242701 /nfs/dbraw/zinc/24/27/01/796242701.db2.gz QVUMBGOVWJKAAQ-QKNQBKEWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001094436409 796242704 /nfs/dbraw/zinc/24/27/04/796242704.db2.gz QVUMBGOVWJKAAQ-QKNQBKEWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001094470541 796298774 /nfs/dbraw/zinc/29/87/74/796298774.db2.gz IZIHYWHSGITFJP-UYAOXDASSA-N 2 1 336.439 2.332 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902319 796439900 /nfs/dbraw/zinc/43/99/00/796439900.db2.gz IYXONHUYPABLMX-AZUAARDMSA-N 2 1 339.483 2.308 20 30 EEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172971032 797175928 /nfs/dbraw/zinc/17/59/28/797175928.db2.gz LHZVNVNSQRCUHJ-UUAJXVIYSA-N 2 1 348.491 2.493 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958396 798577698 /nfs/dbraw/zinc/57/76/98/798577698.db2.gz XONNLVNECVACKS-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084958396 798577703 /nfs/dbraw/zinc/57/77/03/798577703.db2.gz XONNLVNECVACKS-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084958396 798577707 /nfs/dbraw/zinc/57/77/07/798577707.db2.gz XONNLVNECVACKS-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101509 798674947 /nfs/dbraw/zinc/67/49/47/798674947.db2.gz OBIYIPMVGKYQDC-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001177162230 798783335 /nfs/dbraw/zinc/78/33/35/798783335.db2.gz JTOYLVFXCZEHHN-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001177162230 798783338 /nfs/dbraw/zinc/78/33/38/798783338.db2.gz JTOYLVFXCZEHHN-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001177416254 798934295 /nfs/dbraw/zinc/93/42/95/798934295.db2.gz XNEJQWAAASBJOE-SFHVURJKSA-N 2 1 333.520 2.350 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003229339 799397638 /nfs/dbraw/zinc/39/76/38/799397638.db2.gz FLPYFHJFQZZCRS-MRXNPFEDSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003229339 799397646 /nfs/dbraw/zinc/39/76/46/799397646.db2.gz FLPYFHJFQZZCRS-MRXNPFEDSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001180372885 800404449 /nfs/dbraw/zinc/40/44/49/800404449.db2.gz KZGVHFVLDPMLQT-SFHVURJKSA-N 2 1 339.524 2.330 20 30 EEEDMP C=CCC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001151162240 801150302 /nfs/dbraw/zinc/15/03/02/801150302.db2.gz WKNMTXFVILUMHH-UHFFFAOYSA-N 2 1 337.508 2.034 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001086122614 802222399 /nfs/dbraw/zinc/22/23/99/802222399.db2.gz RHLJWRSKOKKCMX-VBQJREDUSA-N 2 1 346.500 2.088 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086122360 802222586 /nfs/dbraw/zinc/22/25/86/802222586.db2.gz HQPFENOXYFWHCV-OTWHNJEPSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001004525004 802294271 /nfs/dbraw/zinc/29/42/71/802294271.db2.gz ZCTPCBJMECYXKI-GOSISDBHSA-N 2 1 343.471 2.291 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([C@@H]3CCCN3CC#N)CC2)C1 ZINC001004529212 802323999 /nfs/dbraw/zinc/32/39/99/802323999.db2.gz RCIJMZOYIONMFK-OALUTQOASA-N 2 1 346.519 2.335 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001086390506 802877719 /nfs/dbraw/zinc/87/77/19/802877719.db2.gz XUYGERQPXCDOFT-SZMVWBNQSA-N 2 1 345.512 2.139 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001086390506 802877725 /nfs/dbraw/zinc/87/77/25/802877725.db2.gz XUYGERQPXCDOFT-SZMVWBNQSA-N 2 1 345.512 2.139 20 30 EEEDMP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797688 804053334 /nfs/dbraw/zinc/05/33/34/804053334.db2.gz IYRWSKICJGCWSR-UONOGXRCSA-N 2 1 346.313 2.254 20 30 EEEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001086605548 809627675 /nfs/dbraw/zinc/62/76/75/809627675.db2.gz KFRJNLGEMSWLPT-FRYIKTPZSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001086605548 809627680 /nfs/dbraw/zinc/62/76/80/809627680.db2.gz KFRJNLGEMSWLPT-FRYIKTPZSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001086605548 809627686 /nfs/dbraw/zinc/62/76/86/809627686.db2.gz KFRJNLGEMSWLPT-FRYIKTPZSA-N 2 1 341.499 2.487 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001129417402 810832114 /nfs/dbraw/zinc/83/21/14/810832114.db2.gz NLXRPGKNSPZREJ-QGZVFWFLSA-N 2 1 346.450 2.166 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[N@H+](C)CCC)C1 ZINC001130445956 811650481 /nfs/dbraw/zinc/65/04/81/811650481.db2.gz FIMCDLWKUAYLGF-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CCC)C1 ZINC001130445956 811650485 /nfs/dbraw/zinc/65/04/85/811650485.db2.gz FIMCDLWKUAYLGF-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CCC)C1 ZINC001130445956 811650490 /nfs/dbraw/zinc/65/04/90/811650490.db2.gz FIMCDLWKUAYLGF-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2C#N)C1 ZINC001446594667 1101086659 /nfs/dbraw/zinc/08/66/59/1101086659.db2.gz BNOHSHSYRSWWBZ-HXUWFJFHSA-N 2 1 342.487 2.228 20 30 EEEDMP C=CCn1c([C@@H]2CCCCN2C)nnc1N1CCN(C(C)C)CC1 ZINC001520305728 1119144652 /nfs/dbraw/zinc/14/46/52/1119144652.db2.gz SCZKEGVYIQMCMG-INIZCTEOSA-N 2 1 332.496 2.151 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000491788275 533146492 /nfs/dbraw/zinc/14/64/92/533146492.db2.gz XFXVIAORXRTQQP-SFHVURJKSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000491788275 533146494 /nfs/dbraw/zinc/14/64/94/533146494.db2.gz XFXVIAORXRTQQP-SFHVURJKSA-N 2 1 339.483 2.065 20 30 EEEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528385626 270022130 /nfs/dbraw/zinc/02/21/30/270022130.db2.gz CAKAJPIVAMZZJM-OALUTQOASA-N 2 1 343.471 2.248 20 30 EEEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528385626 270022131 /nfs/dbraw/zinc/02/21/31/270022131.db2.gz CAKAJPIVAMZZJM-OALUTQOASA-N 2 1 343.471 2.248 20 30 EEEDMP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000329184755 465260572 /nfs/dbraw/zinc/26/05/72/465260572.db2.gz GDCLSYCFDLVOAU-HNNXBMFYSA-N 2 1 344.463 2.402 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000329184755 465260575 /nfs/dbraw/zinc/26/05/75/465260575.db2.gz GDCLSYCFDLVOAU-HNNXBMFYSA-N 2 1 344.463 2.402 20 30 EEEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128331223 462629684 /nfs/dbraw/zinc/62/96/84/462629684.db2.gz HHHSQLKHHLXCSJ-GOSISDBHSA-N 2 1 329.488 2.377 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCOCCc1ccccc1 ZINC000264063487 464278116 /nfs/dbraw/zinc/27/81/16/464278116.db2.gz AGWMPJDQLHOVMZ-IBGZPJMESA-N 2 1 346.519 2.415 20 30 EEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000247885142 464712354 /nfs/dbraw/zinc/71/23/54/464712354.db2.gz CTLFYOJVTZFGQN-SJLPKXTDSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000247885142 464712360 /nfs/dbraw/zinc/71/23/60/464712360.db2.gz CTLFYOJVTZFGQN-SJLPKXTDSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000247885142 464712364 /nfs/dbraw/zinc/71/23/64/464712364.db2.gz CTLFYOJVTZFGQN-SJLPKXTDSA-N 2 1 326.444 2.303 20 30 EEEDMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329961116 465488620 /nfs/dbraw/zinc/48/86/20/465488620.db2.gz RKQPFTZNOQPOBV-JKSUJKDBSA-N 2 1 333.480 2.214 20 30 EEEDMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329961116 465488625 /nfs/dbraw/zinc/48/86/25/465488625.db2.gz RKQPFTZNOQPOBV-JKSUJKDBSA-N 2 1 333.480 2.214 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nc2c(cccc2C)o1 ZINC000267464640 464932954 /nfs/dbraw/zinc/93/29/54/464932954.db2.gz WCGZMLVASSDVOU-AWEZNQCLSA-N 2 1 329.448 2.067 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)C(C)C ZINC000342766717 465347815 /nfs/dbraw/zinc/34/78/15/465347815.db2.gz WRODVNMYUZLGSC-CABCVRRESA-N 2 1 329.435 2.046 20 30 EEEDMP CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000581675517 468497519 /nfs/dbraw/zinc/49/75/19/468497519.db2.gz VSAYNBWXDHBEFU-WMZOPIPTSA-N 2 1 342.487 2.438 20 30 EEEDMP CC[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424164593 466994499 /nfs/dbraw/zinc/99/44/99/466994499.db2.gz CMUVSNBNKUOSBX-ZWKOTPCHSA-N 2 1 328.460 2.131 20 30 EEEDMP CC[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424164593 466994503 /nfs/dbraw/zinc/99/45/03/466994503.db2.gz CMUVSNBNKUOSBX-ZWKOTPCHSA-N 2 1 328.460 2.131 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@](C)(C#N)C3)CC2)CC1 ZINC000594338839 468555556 /nfs/dbraw/zinc/55/55/56/468555556.db2.gz HPIHRPMLDORQMR-FQEVSTJZSA-N 2 1 346.519 2.335 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H]1C ZINC000610137454 469983455 /nfs/dbraw/zinc/98/34/55/469983455.db2.gz KWASMKCIXMMYFA-WDSOQIARSA-N 2 1 345.487 2.297 20 30 EEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H]1C ZINC000610137454 469983458 /nfs/dbraw/zinc/98/34/58/469983458.db2.gz KWASMKCIXMMYFA-WDSOQIARSA-N 2 1 345.487 2.297 20 30 EEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H]1C ZINC000610137454 469983462 /nfs/dbraw/zinc/98/34/62/469983462.db2.gz KWASMKCIXMMYFA-WDSOQIARSA-N 2 1 345.487 2.297 20 30 EEEDMP C=CCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000665945366 472246827 /nfs/dbraw/zinc/24/68/27/472246827.db2.gz DXQOHMFMEQKDBP-UHFFFAOYSA-N 2 1 336.524 2.400 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCC2CC2)CC1 ZINC000969156125 674643987 /nfs/dbraw/zinc/64/39/87/674643987.db2.gz KJWWLFOODXIVEO-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021667388 676321593 /nfs/dbraw/zinc/32/15/93/676321593.db2.gz DFSAEBPJXKLBDY-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740862 676400308 /nfs/dbraw/zinc/40/03/08/676400308.db2.gz WTLDJJQLFZVEMB-RBUKOAKNSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001022202293 676727825 /nfs/dbraw/zinc/72/78/25/676727825.db2.gz WACRICNLQUENNY-LZWOXQAQSA-N 2 1 325.884 2.383 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001022221712 676742965 /nfs/dbraw/zinc/74/29/65/676742965.db2.gz LQGSWDVPXALJKM-FZDIXFNVSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001022221712 676742966 /nfs/dbraw/zinc/74/29/66/676742966.db2.gz LQGSWDVPXALJKM-FZDIXFNVSA-N 2 1 343.446 2.221 20 30 EEEDMP CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC000972266180 678468677 /nfs/dbraw/zinc/46/86/77/678468677.db2.gz QAVVYBXPDHPROO-RBUKOAKNSA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC000972266180 678468679 /nfs/dbraw/zinc/46/86/79/678468679.db2.gz QAVVYBXPDHPROO-RBUKOAKNSA-N 2 1 342.487 2.177 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371316 679277636 /nfs/dbraw/zinc/27/76/36/679277636.db2.gz XMNUFZLYKJCJFZ-RBUKOAKNSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023371316 679277637 /nfs/dbraw/zinc/27/76/37/679277637.db2.gz XMNUFZLYKJCJFZ-RBUKOAKNSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023371316 679277638 /nfs/dbraw/zinc/27/76/38/679277638.db2.gz XMNUFZLYKJCJFZ-RBUKOAKNSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(Cl)CN1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001023554007 679374868 /nfs/dbraw/zinc/37/48/68/679374868.db2.gz DUIOASJYSGUJCO-XHSDSOJGSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001023554007 679374869 /nfs/dbraw/zinc/37/48/69/679374869.db2.gz DUIOASJYSGUJCO-XHSDSOJGSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001023554007 679374871 /nfs/dbraw/zinc/37/48/71/679374871.db2.gz DUIOASJYSGUJCO-XHSDSOJGSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554007 679374873 /nfs/dbraw/zinc/37/48/73/679374873.db2.gz DUIOASJYSGUJCO-XHSDSOJGSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554007 679374877 /nfs/dbraw/zinc/37/48/77/679374877.db2.gz DUIOASJYSGUJCO-XHSDSOJGSA-N 2 1 327.900 2.297 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001024366759 679883832 /nfs/dbraw/zinc/88/38/32/679883832.db2.gz VFOYBOAARHEBJJ-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001024366759 679883833 /nfs/dbraw/zinc/88/38/33/679883833.db2.gz VFOYBOAARHEBJJ-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001024366759 679883834 /nfs/dbraw/zinc/88/38/34/679883834.db2.gz VFOYBOAARHEBJJ-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)CN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448820 679909692 /nfs/dbraw/zinc/90/96/92/679909692.db2.gz ZJQQYNFDONYSSY-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001024652656 681318417 /nfs/dbraw/zinc/31/84/17/681318417.db2.gz RTTGPUZDRYWXJV-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001024652656 681318423 /nfs/dbraw/zinc/31/84/23/681318423.db2.gz RTTGPUZDRYWXJV-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024734264 681396703 /nfs/dbraw/zinc/39/67/03/681396703.db2.gz UGRSTTUMUUUPCL-SFHVURJKSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024734264 681396707 /nfs/dbraw/zinc/39/67/07/681396707.db2.gz UGRSTTUMUUUPCL-SFHVURJKSA-N 2 1 339.443 2.428 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261865189 681871311 /nfs/dbraw/zinc/87/13/11/681871311.db2.gz YZJBMJNDTVVBCD-RDBSUJKOSA-N 2 1 334.430 2.472 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CCS[C@@H](C(C)C)C1 ZINC000261746686 681943362 /nfs/dbraw/zinc/94/33/62/681943362.db2.gz LJEJABRJOKFZES-JKSUJKDBSA-N 2 1 326.554 2.367 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000974798500 685561915 /nfs/dbraw/zinc/56/19/15/685561915.db2.gz FLKOKFKSSBQHMF-QGZVFWFLSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974823254 685583385 /nfs/dbraw/zinc/58/33/85/685583385.db2.gz FLXQNGJTGNHKOH-KRWDZBQOSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974823254 685583391 /nfs/dbraw/zinc/58/33/91/685583391.db2.gz FLXQNGJTGNHKOH-KRWDZBQOSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974864137 685639190 /nfs/dbraw/zinc/63/91/90/685639190.db2.gz PPXBPEZFDKUFMS-SFHVURJKSA-N 2 1 329.488 2.417 20 30 EEEDMP C[N@@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985328196 686331064 /nfs/dbraw/zinc/33/10/64/686331064.db2.gz SQDUCEMKTABRAW-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985328196 686331075 /nfs/dbraw/zinc/33/10/75/686331075.db2.gz SQDUCEMKTABRAW-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000985328196 686331082 /nfs/dbraw/zinc/33/10/82/686331082.db2.gz SQDUCEMKTABRAW-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1SCCc2ccccc21 ZINC000262505045 686513033 /nfs/dbraw/zinc/51/30/33/686513033.db2.gz BCWZGNWOEJOACP-WBVHZDCISA-N 2 1 332.517 2.406 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027332101 687513490 /nfs/dbraw/zinc/51/34/90/687513490.db2.gz LDGXBGBERKIGPE-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027332101 687513498 /nfs/dbraw/zinc/51/34/98/687513498.db2.gz LDGXBGBERKIGPE-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027332101 687513502 /nfs/dbraw/zinc/51/35/02/687513502.db2.gz LDGXBGBERKIGPE-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027332101 687513509 /nfs/dbraw/zinc/51/35/09/687513509.db2.gz LDGXBGBERKIGPE-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CC3CCC3)CC2)CC1 ZINC000985803630 687728532 /nfs/dbraw/zinc/72/85/32/687728532.db2.gz HPSDIVUVTBRVQC-UHFFFAOYSA-N 2 1 331.504 2.055 20 30 EEEDMP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986354624 688504705 /nfs/dbraw/zinc/50/47/05/688504705.db2.gz KRNINLCMHCCXNG-BEFAXECRSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001027446949 692113834 /nfs/dbraw/zinc/11/38/34/692113834.db2.gz YHUVPXHNKQYZTC-UXHICEINSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001027446949 692113838 /nfs/dbraw/zinc/11/38/38/692113838.db2.gz YHUVPXHNKQYZTC-UXHICEINSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC001027446949 692113844 /nfs/dbraw/zinc/11/38/44/692113844.db2.gz YHUVPXHNKQYZTC-UXHICEINSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC001027446949 692113849 /nfs/dbraw/zinc/11/38/49/692113849.db2.gz YHUVPXHNKQYZTC-UXHICEINSA-N 2 1 339.483 2.207 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001027545902 692846005 /nfs/dbraw/zinc/84/60/05/692846005.db2.gz IAZINQPHKYGLSA-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027545902 692846009 /nfs/dbraw/zinc/84/60/09/692846009.db2.gz IAZINQPHKYGLSA-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027545902 692846014 /nfs/dbraw/zinc/84/60/14/692846014.db2.gz IAZINQPHKYGLSA-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001027589529 693326543 /nfs/dbraw/zinc/32/65/43/693326543.db2.gz UVFZBSYAVPCDHJ-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001027589529 693326547 /nfs/dbraw/zinc/32/65/47/693326547.db2.gz UVFZBSYAVPCDHJ-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001027589529 693326551 /nfs/dbraw/zinc/32/65/51/693326551.db2.gz UVFZBSYAVPCDHJ-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4nccn43)[C@@H]2C1 ZINC000978280558 693455282 /nfs/dbraw/zinc/45/52/82/693455282.db2.gz YXBGIZNYMHMVED-WCXIOVBPSA-N 2 1 328.460 2.021 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978280558 693455285 /nfs/dbraw/zinc/45/52/85/693455285.db2.gz YXBGIZNYMHMVED-WCXIOVBPSA-N 2 1 328.460 2.021 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978280558 693455288 /nfs/dbraw/zinc/45/52/88/693455288.db2.gz YXBGIZNYMHMVED-WCXIOVBPSA-N 2 1 328.460 2.021 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001482468273 1185971393 /nfs/dbraw/zinc/97/13/93/1185971393.db2.gz ABVJDLNZFCTRRA-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC=C)CC1 ZINC001752825454 1187510155 /nfs/dbraw/zinc/51/01/55/1187510155.db2.gz STWBDDSEVJFETO-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001105563922 1188179923 /nfs/dbraw/zinc/17/99/23/1188179923.db2.gz UCKNCYXCHYWJJP-OALUTQOASA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)nc4C3)[C@@H]2C1 ZINC001075969231 1188439695 /nfs/dbraw/zinc/43/96/95/1188439695.db2.gz UHNGOZJUNBMVLG-TXPKVOOTSA-N 2 1 342.487 2.322 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]1C ZINC001486092870 1193679172 /nfs/dbraw/zinc/67/91/72/1193679172.db2.gz RVNVKWAVMYMZCD-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417283 1194539543 /nfs/dbraw/zinc/53/95/43/1194539543.db2.gz VVAUXJCSRFGKHU-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033417283 1194539547 /nfs/dbraw/zinc/53/95/47/1194539547.db2.gz VVAUXJCSRFGKHU-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033417283 1194539552 /nfs/dbraw/zinc/53/95/52/1194539552.db2.gz VVAUXJCSRFGKHU-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033837304 1195355982 /nfs/dbraw/zinc/35/59/82/1195355982.db2.gz HACOYHAASIQDRI-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033837304 1195355987 /nfs/dbraw/zinc/35/59/87/1195355987.db2.gz HACOYHAASIQDRI-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304851 1196072479 /nfs/dbraw/zinc/07/24/79/1196072479.db2.gz YURXJBDHPREHQH-OAHLLOKOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001005663189 1196622136 /nfs/dbraw/zinc/62/21/36/1196622136.db2.gz VABJHEALEUDGRV-UHFFFAOYSA-N 2 1 325.884 2.290 20 30 EEEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086696452 1200173550 /nfs/dbraw/zinc/17/35/50/1200173550.db2.gz KYRIQWALSLNBEA-OKZBNKHCSA-N 2 1 331.504 2.149 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001133205145 1200593065 /nfs/dbraw/zinc/59/30/65/1200593065.db2.gz WMXWBAILLFNYDC-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133360844 1200781232 /nfs/dbraw/zinc/78/12/32/1200781232.db2.gz PYGSSBYFBHGSQM-AZUAARDMSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133360844 1200781234 /nfs/dbraw/zinc/78/12/34/1200781234.db2.gz PYGSSBYFBHGSQM-AZUAARDMSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133404052 1200867395 /nfs/dbraw/zinc/86/73/95/1200867395.db2.gz WAYYQBHNCDRBPC-INIZCTEOSA-N 2 1 347.890 2.233 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001114403640 1201640634 /nfs/dbraw/zinc/64/06/34/1201640634.db2.gz WGOSYBGAECCVPB-HCXYKTFWSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001114403640 1201640635 /nfs/dbraw/zinc/64/06/35/1201640635.db2.gz WGOSYBGAECCVPB-HCXYKTFWSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001114403640 1201640636 /nfs/dbraw/zinc/64/06/36/1201640636.db2.gz WGOSYBGAECCVPB-HCXYKTFWSA-N 2 1 331.504 2.406 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857994 1204928208 /nfs/dbraw/zinc/92/82/08/1204928208.db2.gz ZLUBTQKJWNNTOB-KURKYZTESA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857994 1204928209 /nfs/dbraw/zinc/92/82/09/1204928209.db2.gz ZLUBTQKJWNNTOB-KURKYZTESA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274856452 1205189118 /nfs/dbraw/zinc/18/91/18/1205189118.db2.gz KXFXRBHVUDPAPS-VQTJNVASSA-N 2 1 341.499 2.312 20 30 EEEDMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274856452 1205189120 /nfs/dbraw/zinc/18/91/20/1205189120.db2.gz KXFXRBHVUDPAPS-VQTJNVASSA-N 2 1 341.499 2.312 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCOC2)CC3)cc1C#N ZINC001275172666 1205273883 /nfs/dbraw/zinc/27/38/83/1205273883.db2.gz RUIQVZQZMULTLL-KRWDZBQOSA-N 2 1 342.487 2.221 20 30 EEEDMP C=CCn1cc(C[N@@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)cn1 ZINC001275381036 1205330563 /nfs/dbraw/zinc/33/05/63/1205330563.db2.gz DOVHEHKHNCJCME-FQEVSTJZSA-N 2 1 345.535 2.309 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198441 1208356478 /nfs/dbraw/zinc/35/64/78/1208356478.db2.gz YNLNLERPNDYMCK-ISARSNTHSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947857211 1208748010 /nfs/dbraw/zinc/74/80/10/1208748010.db2.gz INQIQUMJVIUGIS-GDBMZVCRSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947857211 1208748011 /nfs/dbraw/zinc/74/80/11/1208748011.db2.gz INQIQUMJVIUGIS-GDBMZVCRSA-N 2 1 325.416 2.036 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726656 1209329966 /nfs/dbraw/zinc/32/99/66/1209329966.db2.gz WZFWBGUDAUDTTF-QGZVFWFLSA-N 2 1 331.460 2.291 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770069 1209363731 /nfs/dbraw/zinc/36/37/31/1209363731.db2.gz FKLGBFPAVQMURM-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770069 1209363735 /nfs/dbraw/zinc/36/37/35/1209363735.db2.gz FKLGBFPAVQMURM-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948821001 1209401235 /nfs/dbraw/zinc/40/12/35/1209401235.db2.gz WPDHARJRAJGMQU-KRWDZBQOSA-N 2 1 330.476 2.343 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948821001 1209401238 /nfs/dbraw/zinc/40/12/38/1209401238.db2.gz WPDHARJRAJGMQU-KRWDZBQOSA-N 2 1 330.476 2.343 20 30 EEEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000949531230 1209730650 /nfs/dbraw/zinc/73/06/50/1209730650.db2.gz FHMLYQCEBXGDKE-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCC3)C2)CC1 ZINC001017265799 1212447415 /nfs/dbraw/zinc/44/74/15/1212447415.db2.gz CXTWEUZTSPZABI-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])N3CCC[C@H](C)C3)c2)CCO1 ZINC000303875969 1213917388 /nfs/dbraw/zinc/91/73/88/1213917388.db2.gz HWERNAVWQKZAPO-DLBZAZTESA-N 2 1 344.503 2.454 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])N3CCC[C@H](C)C3)c2)CCO1 ZINC000303875969 1213917397 /nfs/dbraw/zinc/91/73/97/1213917397.db2.gz HWERNAVWQKZAPO-DLBZAZTESA-N 2 1 344.503 2.454 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000960220855 1216432725 /nfs/dbraw/zinc/43/27/25/1216432725.db2.gz ZTZRXOOPWGLJIH-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)COc1ccccc1OC ZINC000305688141 1216975762 /nfs/dbraw/zinc/97/57/62/1216975762.db2.gz PHWVJQXCRQQIBO-HOTGVXAUSA-N 2 1 348.491 2.099 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961188427 1217077556 /nfs/dbraw/zinc/07/75/56/1217077556.db2.gz VLLHKNSTQQCHOQ-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961189403 1217077736 /nfs/dbraw/zinc/07/77/36/1217077736.db2.gz ZDKRYVYRNLDRKQ-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961189403 1217077738 /nfs/dbraw/zinc/07/77/38/1217077738.db2.gz ZDKRYVYRNLDRKQ-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961189403 1217077739 /nfs/dbraw/zinc/07/77/39/1217077739.db2.gz ZDKRYVYRNLDRKQ-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376784 1217164294 /nfs/dbraw/zinc/16/42/94/1217164294.db2.gz CYWFIMXYUIOQNH-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376784 1217164297 /nfs/dbraw/zinc/16/42/97/1217164297.db2.gz CYWFIMXYUIOQNH-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376784 1217164299 /nfs/dbraw/zinc/16/42/99/1217164299.db2.gz CYWFIMXYUIOQNH-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411345 1217179834 /nfs/dbraw/zinc/17/98/34/1217179834.db2.gz LSVQDLHNSSXCKV-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411345 1217179836 /nfs/dbraw/zinc/17/98/36/1217179836.db2.gz LSVQDLHNSSXCKV-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411345 1217179837 /nfs/dbraw/zinc/17/98/37/1217179837.db2.gz LSVQDLHNSSXCKV-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961411917 1217179876 /nfs/dbraw/zinc/17/98/76/1217179876.db2.gz QLUJPBRQDGSLHG-OALUTQOASA-N 2 1 333.520 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001015981917 1225919539 /nfs/dbraw/zinc/91/95/39/1225919539.db2.gz GKASSQNVRZTJCB-HNNXBMFYSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000967499828 1220569726 /nfs/dbraw/zinc/56/97/26/1220569726.db2.gz REYUUNPOKORPQL-LPHOPBHVSA-N 2 1 336.439 2.336 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000968952605 1221698412 /nfs/dbraw/zinc/69/84/12/1221698412.db2.gz PCQSKMHVFSSLCU-UXHICEINSA-N 2 1 339.483 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000968952605 1221698414 /nfs/dbraw/zinc/69/84/14/1221698414.db2.gz PCQSKMHVFSSLCU-UXHICEINSA-N 2 1 339.483 2.092 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005168 1221733435 /nfs/dbraw/zinc/73/34/35/1221733435.db2.gz MTIVRWSLCNDUGT-KRWDZBQOSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001009625929 1223307741 /nfs/dbraw/zinc/30/77/41/1223307741.db2.gz GDEADMCDRPLQDQ-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001014510498 1226700446 /nfs/dbraw/zinc/70/04/46/1226700446.db2.gz XAKUUOAJTAWBPF-XOKHGSTOSA-N 2 1 346.500 2.041 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001014510498 1226700454 /nfs/dbraw/zinc/70/04/54/1226700454.db2.gz XAKUUOAJTAWBPF-XOKHGSTOSA-N 2 1 346.500 2.041 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001014510498 1226700462 /nfs/dbraw/zinc/70/04/62/1226700462.db2.gz XAKUUOAJTAWBPF-XOKHGSTOSA-N 2 1 346.500 2.041 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001014510498 1226700470 /nfs/dbraw/zinc/70/04/70/1226700470.db2.gz XAKUUOAJTAWBPF-XOKHGSTOSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(CC)CC)CC2 ZINC001016670285 1226757187 /nfs/dbraw/zinc/75/71/87/1226757187.db2.gz PAZGAODLCPLFPE-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(CC)CC)CC2 ZINC001016670285 1226757191 /nfs/dbraw/zinc/75/71/91/1226757191.db2.gz PAZGAODLCPLFPE-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016859054 1226926714 /nfs/dbraw/zinc/92/67/14/1226926714.db2.gz JVXUQDCKZPWOKV-MRXNPFEDSA-N 2 1 328.460 2.001 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cncc2C1 ZINC001017671242 1227622033 /nfs/dbraw/zinc/62/20/33/1227622033.db2.gz OZNUXTLMBWRYFO-ZACQAIPSSA-N 2 1 328.460 2.087 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165650 1230386713 /nfs/dbraw/zinc/38/67/13/1230386713.db2.gz QZAQDGLNEAVYRA-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039165650 1230386716 /nfs/dbraw/zinc/38/67/16/1230386716.db2.gz QZAQDGLNEAVYRA-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039165650 1230386721 /nfs/dbraw/zinc/38/67/21/1230386721.db2.gz QZAQDGLNEAVYRA-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039172665 1230398191 /nfs/dbraw/zinc/39/81/91/1230398191.db2.gz AYHIIIGXKPCDDB-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172665 1230398196 /nfs/dbraw/zinc/39/81/96/1230398196.db2.gz AYHIIIGXKPCDDB-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172665 1230398199 /nfs/dbraw/zinc/39/81/99/1230398199.db2.gz AYHIIIGXKPCDDB-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182121 1230409236 /nfs/dbraw/zinc/40/92/36/1230409236.db2.gz JILVOKCBVGBMNA-HXUWFJFHSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039236943 1230470002 /nfs/dbraw/zinc/47/00/02/1230470002.db2.gz DSYCAAZUEUPNIR-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001039425317 1230602266 /nfs/dbraw/zinc/60/22/66/1230602266.db2.gz XTPMJJBDZKDHIL-QYZOEREBSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001039425317 1230602269 /nfs/dbraw/zinc/60/22/69/1230602269.db2.gz XTPMJJBDZKDHIL-QYZOEREBSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001039425317 1230602272 /nfs/dbraw/zinc/60/22/72/1230602272.db2.gz XTPMJJBDZKDHIL-QYZOEREBSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001039425317 1230602274 /nfs/dbraw/zinc/60/22/74/1230602274.db2.gz XTPMJJBDZKDHIL-QYZOEREBSA-N 2 1 349.519 2.127 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](CC)CC3CC3)CC2)CC1 ZINC001039492167 1230657367 /nfs/dbraw/zinc/65/73/67/1230657367.db2.gz GKGFRQUUSUBWQZ-UHFFFAOYSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095934985 1230954557 /nfs/dbraw/zinc/95/45/57/1230954557.db2.gz YCKCJIGVRIXIES-LMSBXDPUSA-N 2 1 328.460 2.052 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095934985 1230954561 /nfs/dbraw/zinc/95/45/61/1230954561.db2.gz YCKCJIGVRIXIES-LMSBXDPUSA-N 2 1 328.460 2.052 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040207379 1231103246 /nfs/dbraw/zinc/10/32/46/1231103246.db2.gz FPVOCXXFDBERSP-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC001040245062 1231129934 /nfs/dbraw/zinc/12/99/34/1231129934.db2.gz QGVWAURXQWHAMR-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC001040245062 1231129938 /nfs/dbraw/zinc/12/99/38/1231129938.db2.gz QGVWAURXQWHAMR-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001040245062 1231129945 /nfs/dbraw/zinc/12/99/45/1231129945.db2.gz QGVWAURXQWHAMR-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001040245062 1231129948 /nfs/dbraw/zinc/12/99/48/1231129948.db2.gz QGVWAURXQWHAMR-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430359 1231228070 /nfs/dbraw/zinc/22/80/70/1231228070.db2.gz BGJWPJUJQBQSRY-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCCC)C3)CC1 ZINC001040542050 1231283344 /nfs/dbraw/zinc/28/33/44/1231283344.db2.gz FLDOXDXHESQJDW-NRFANRHFSA-N 2 1 345.531 2.446 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)CC1 ZINC001040819392 1231378993 /nfs/dbraw/zinc/37/89/93/1231378993.db2.gz FNSXETAYQKNGBC-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505775 1231571708 /nfs/dbraw/zinc/57/17/08/1231571708.db2.gz MUJQBVKEYONLSC-QUCCMNQESA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C[C@@H](F)CC)C3)C2)CC1 ZINC001041844976 1231728465 /nfs/dbraw/zinc/72/84/65/1231728465.db2.gz QRURZLCTNUOKFU-AZUAARDMSA-N 2 1 349.494 2.004 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041845349 1231728584 /nfs/dbraw/zinc/72/85/84/1231728584.db2.gz WWBMWCYFVRBQGF-OAQYLSRUSA-N 2 1 339.483 2.310 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845578 1231728763 /nfs/dbraw/zinc/72/87/63/1231728763.db2.gz ISBFYTRPEJNYSO-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001042122453 1231903660 /nfs/dbraw/zinc/90/36/60/1231903660.db2.gz NUSOKBXBYIDZJA-YJBOKZPZSA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001042122453 1231903662 /nfs/dbraw/zinc/90/36/62/1231903662.db2.gz NUSOKBXBYIDZJA-YJBOKZPZSA-N 2 1 346.475 2.239 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268417 1231993567 /nfs/dbraw/zinc/99/35/67/1231993567.db2.gz CZVMYDDZFFSTCR-AZUAARDMSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C ZINC001045074060 1233486640 /nfs/dbraw/zinc/48/66/40/1233486640.db2.gz WDLYZNVYDQOEFF-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C ZINC001045074060 1233486645 /nfs/dbraw/zinc/48/66/45/1233486645.db2.gz WDLYZNVYDQOEFF-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045951105 1234217790 /nfs/dbraw/zinc/21/77/90/1234217790.db2.gz UGDCPYRQWSBHIZ-FQEVSTJZSA-N 2 1 343.515 2.343 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001046943190 1235336663 /nfs/dbraw/zinc/33/66/63/1235336663.db2.gz QOFFQOCSLIJBLJ-KBPBESRZSA-N 2 1 338.402 2.020 20 30 EEEDMP C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001046943190 1235336665 /nfs/dbraw/zinc/33/66/65/1235336665.db2.gz QOFFQOCSLIJBLJ-KBPBESRZSA-N 2 1 338.402 2.020 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047244015 1235734903 /nfs/dbraw/zinc/73/49/03/1235734903.db2.gz OWSUTQSYGPJZDH-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047244549 1235736348 /nfs/dbraw/zinc/73/63/48/1235736348.db2.gz SISYYHSBGUWVAX-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047258111 1235763636 /nfs/dbraw/zinc/76/36/36/1235763636.db2.gz XHZNAGSXXQWOCY-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048537522 1237907227 /nfs/dbraw/zinc/90/72/27/1237907227.db2.gz DQABKNBYZHTTEC-OBKDMQGPSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048537522 1237907237 /nfs/dbraw/zinc/90/72/37/1237907237.db2.gz DQABKNBYZHTTEC-OBKDMQGPSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048537522 1237907247 /nfs/dbraw/zinc/90/72/47/1237907247.db2.gz DQABKNBYZHTTEC-OBKDMQGPSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583592 1238024393 /nfs/dbraw/zinc/02/43/93/1238024393.db2.gz MULKCAPGWNGOML-OMZCGLGVSA-N 2 1 345.531 2.489 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@H]2C1 ZINC001048887795 1239146614 /nfs/dbraw/zinc/14/66/14/1239146614.db2.gz DQMSCTAISVSZME-ZSYWTGECSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C[C@H]2C1 ZINC001048887795 1239146621 /nfs/dbraw/zinc/14/66/21/1239146621.db2.gz DQMSCTAISVSZME-ZSYWTGECSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@H]2C1 ZINC001048887795 1239146628 /nfs/dbraw/zinc/14/66/28/1239146628.db2.gz DQMSCTAISVSZME-ZSYWTGECSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094996 1239983835 /nfs/dbraw/zinc/98/38/35/1239983835.db2.gz SGELTMXTKSOYPL-YESZJQIVSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107415 1240018036 /nfs/dbraw/zinc/01/80/36/1240018036.db2.gz ISEIGRYOWJZRHR-HCXYKTFWSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107415 1240018041 /nfs/dbraw/zinc/01/80/41/1240018041.db2.gz ISEIGRYOWJZRHR-HCXYKTFWSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107415 1240018044 /nfs/dbraw/zinc/01/80/44/1240018044.db2.gz ISEIGRYOWJZRHR-HCXYKTFWSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)CC1 ZINC001000322129 1240170373 /nfs/dbraw/zinc/17/03/73/1240170373.db2.gz UOPMIOURVPZGOM-IBGZPJMESA-N 2 1 331.504 2.409 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001049719266 1241984689 /nfs/dbraw/zinc/98/46/89/1241984689.db2.gz LKTACGPPIRCLNP-NZSAHSFTSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001049719266 1241984701 /nfs/dbraw/zinc/98/47/01/1241984701.db2.gz LKTACGPPIRCLNP-NZSAHSFTSA-N 2 1 342.487 2.395 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC2CCCC2)CC1 ZINC001001493073 1242379505 /nfs/dbraw/zinc/37/95/05/1242379505.db2.gz VSXSEWARXDITSC-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC2CCCC2)CC1 ZINC001001493073 1242379516 /nfs/dbraw/zinc/37/95/16/1242379516.db2.gz VSXSEWARXDITSC-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001050546268 1243821368 /nfs/dbraw/zinc/82/13/68/1243821368.db2.gz LWYMPOZFZUHVGX-UHFFFAOYSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709914 1244804675 /nfs/dbraw/zinc/80/46/75/1244804675.db2.gz SENWKPZGDFRFTL-LJQANCHMSA-N 2 1 327.472 2.008 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933210 1245506193 /nfs/dbraw/zinc/50/61/93/1245506193.db2.gz XVLITHAEKZAJOC-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933210 1245506200 /nfs/dbraw/zinc/50/62/00/1245506200.db2.gz XVLITHAEKZAJOC-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933210 1245506204 /nfs/dbraw/zinc/50/62/04/1245506204.db2.gz XVLITHAEKZAJOC-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CC(C)C3)CC2)CC1 ZINC001052953705 1245545531 /nfs/dbraw/zinc/54/55/31/1245545531.db2.gz GJQJWXQJGXWRBH-QLOJAFMTSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC[C@@H](C)F)CC2)CC1 ZINC001052958379 1245556587 /nfs/dbraw/zinc/55/65/87/1245556587.db2.gz MPNKSAJDCAKPFZ-AEFFLSMTSA-N 2 1 337.483 2.050 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107297 1245927067 /nfs/dbraw/zinc/92/70/67/1245927067.db2.gz DRRBHXCAVGZTNW-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107297 1245927076 /nfs/dbraw/zinc/92/70/76/1245927076.db2.gz DRRBHXCAVGZTNW-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001054147751 1247526084 /nfs/dbraw/zinc/52/60/84/1247526084.db2.gz XFCLKFAFUIVTOU-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001054147751 1247526091 /nfs/dbraw/zinc/52/60/91/1247526091.db2.gz XFCLKFAFUIVTOU-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054147751 1247526099 /nfs/dbraw/zinc/52/60/99/1247526099.db2.gz XFCLKFAFUIVTOU-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054147751 1247526107 /nfs/dbraw/zinc/52/61/07/1247526107.db2.gz XFCLKFAFUIVTOU-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054154909 1247549319 /nfs/dbraw/zinc/54/93/19/1247549319.db2.gz YGJYQTQSZRFIQD-HXUWFJFHSA-N 2 1 343.515 2.200 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054173465 1247607721 /nfs/dbraw/zinc/60/77/21/1247607721.db2.gz BYXYRHSPRIQXNN-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227040 1247779226 /nfs/dbraw/zinc/77/92/26/1247779226.db2.gz CKSGQEVBOQFJTQ-FQEVSTJZSA-N 2 1 340.471 2.099 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227040 1247779231 /nfs/dbraw/zinc/77/92/31/1247779231.db2.gz CKSGQEVBOQFJTQ-FQEVSTJZSA-N 2 1 340.471 2.099 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663403 1247815632 /nfs/dbraw/zinc/81/56/32/1247815632.db2.gz RHTICNGTKRCIOJ-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663403 1247815646 /nfs/dbraw/zinc/81/56/46/1247815646.db2.gz RHTICNGTKRCIOJ-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054240211 1247835739 /nfs/dbraw/zinc/83/57/39/1247835739.db2.gz PMNKFTFGYJQMAX-KRWDZBQOSA-N 2 1 325.884 2.149 20 30 EEEDMP C#CCN1Cc2ccc(CNC(=O)c3cnccc3N(C)C)cc2C1 ZINC001054290507 1248024495 /nfs/dbraw/zinc/02/44/95/1248024495.db2.gz RIHZBCSUHYPJCL-UHFFFAOYSA-N 2 1 334.423 2.026 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050288 1255611427 /nfs/dbraw/zinc/61/14/27/1255611427.db2.gz SBXWUDKQXUTJPJ-CVEARBPZSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050288 1255611430 /nfs/dbraw/zinc/61/14/30/1255611430.db2.gz SBXWUDKQXUTJPJ-CVEARBPZSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001073050288 1255611433 /nfs/dbraw/zinc/61/14/33/1255611433.db2.gz SBXWUDKQXUTJPJ-CVEARBPZSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073050288 1255611437 /nfs/dbraw/zinc/61/14/37/1255611437.db2.gz SBXWUDKQXUTJPJ-CVEARBPZSA-N 2 1 337.895 2.290 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099281854 1258058372 /nfs/dbraw/zinc/05/83/72/1258058372.db2.gz ZYCPEHSOHMOMPQ-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151965 1280157243 /nfs/dbraw/zinc/15/72/43/1280157243.db2.gz WOQZGZIJNAIYRV-VQTJNVASSA-N 2 1 341.499 2.270 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151965 1280157246 /nfs/dbraw/zinc/15/72/46/1280157246.db2.gz WOQZGZIJNAIYRV-VQTJNVASSA-N 2 1 341.499 2.270 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151965 1280157254 /nfs/dbraw/zinc/15/72/54/1280157254.db2.gz WOQZGZIJNAIYRV-VQTJNVASSA-N 2 1 341.499 2.270 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151965 1280157260 /nfs/dbraw/zinc/15/72/60/1280157260.db2.gz WOQZGZIJNAIYRV-VQTJNVASSA-N 2 1 341.499 2.270 20 30 EEEDMP C=CCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198960693 1285444167 /nfs/dbraw/zinc/44/41/67/1285444167.db2.gz LGXUDEPZCBJUQO-FUHWJXTLSA-N 2 1 345.487 2.360 20 30 EEEDMP C=CCC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198960694 1285444199 /nfs/dbraw/zinc/44/41/99/1285444199.db2.gz LGXUDEPZCBJUQO-SJLPKXTDSA-N 2 1 345.487 2.360 20 30 EEEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201240814 1289376030 /nfs/dbraw/zinc/37/60/30/1289376030.db2.gz ZNBUDHPWBLGNTK-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201240814 1289376043 /nfs/dbraw/zinc/37/60/43/1289376043.db2.gz ZNBUDHPWBLGNTK-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CN(C)C)on1)C2 ZINC001110748880 1294147381 /nfs/dbraw/zinc/14/73/81/1294147381.db2.gz WXUKTLADCVGNHH-SZXPJGKVSA-N 2 1 346.475 2.426 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095522 1295237606 /nfs/dbraw/zinc/23/76/06/1295237606.db2.gz JRSQQAPSRYWUQH-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]2C)CC1 ZINC001211307260 1295811237 /nfs/dbraw/zinc/81/12/37/1295811237.db2.gz QBKCLTJLFTZVOG-NLWGTHIKSA-N 2 1 347.547 2.450 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399896 1296007595 /nfs/dbraw/zinc/00/75/95/1296007595.db2.gz PSYGHKOELNWBFT-KZNAEPCWSA-N 2 1 341.540 2.358 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(CC)CC)C2 ZINC001072822337 1296183912 /nfs/dbraw/zinc/18/39/12/1296183912.db2.gz BVPRKXOTQQSRLD-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(CC)CC)C2 ZINC001072822337 1296183916 /nfs/dbraw/zinc/18/39/16/1296183916.db2.gz BVPRKXOTQQSRLD-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(CC)CC)C2 ZINC001072822337 1296183918 /nfs/dbraw/zinc/18/39/18/1296183918.db2.gz BVPRKXOTQQSRLD-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(CC)CC)C2 ZINC001072822337 1296183920 /nfs/dbraw/zinc/18/39/20/1296183920.db2.gz BVPRKXOTQQSRLD-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001214879187 1296634558 /nfs/dbraw/zinc/63/45/58/1296634558.db2.gz QOHXHFFRKOLNEJ-KURKYZTESA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001214879187 1296634574 /nfs/dbraw/zinc/63/45/74/1296634574.db2.gz QOHXHFFRKOLNEJ-KURKYZTESA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001073478570 1297119877 /nfs/dbraw/zinc/11/98/77/1297119877.db2.gz OUWQQAOQHYEPHZ-UHFFFAOYSA-N 2 1 343.471 2.293 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098837819 1298712150 /nfs/dbraw/zinc/71/21/50/1298712150.db2.gz UWDXTCSSTFBYKB-WFXMLNOXSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001098837819 1298712160 /nfs/dbraw/zinc/71/21/60/1298712160.db2.gz UWDXTCSSTFBYKB-WFXMLNOXSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001098837819 1298712170 /nfs/dbraw/zinc/71/21/70/1298712170.db2.gz UWDXTCSSTFBYKB-WFXMLNOXSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC/C=C\CC)[C@H]2C1 ZINC001222913074 1299918224 /nfs/dbraw/zinc/91/82/24/1299918224.db2.gz HMKORGRJHBQLFI-ZOYAEOFMSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC/C=C\CC)[C@H]2C1 ZINC001222913074 1299918227 /nfs/dbraw/zinc/91/82/27/1299918227.db2.gz HMKORGRJHBQLFI-ZOYAEOFMSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC/C=C\CC)[C@H]2C1 ZINC001222913074 1299918232 /nfs/dbraw/zinc/91/82/32/1299918232.db2.gz HMKORGRJHBQLFI-ZOYAEOFMSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC/C=C\CC)[C@H]2C1 ZINC001222913074 1299918235 /nfs/dbraw/zinc/91/82/35/1299918235.db2.gz HMKORGRJHBQLFI-ZOYAEOFMSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC/C=C\CC)[C@H]2C1 ZINC001222913074 1299918240 /nfs/dbraw/zinc/91/82/40/1299918240.db2.gz HMKORGRJHBQLFI-ZOYAEOFMSA-N 2 1 343.515 2.363 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292308 1300753503 /nfs/dbraw/zinc/75/35/03/1300753503.db2.gz IPNCCEAXLLUJHW-HUUCEWRRSA-N 2 1 348.516 2.146 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001224857009 1300759732 /nfs/dbraw/zinc/75/97/32/1300759732.db2.gz FWSYFKJRGAPKDP-KURKYZTESA-N 2 1 348.535 2.140 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001224857009 1300759742 /nfs/dbraw/zinc/75/97/42/1300759742.db2.gz FWSYFKJRGAPKDP-KURKYZTESA-N 2 1 348.535 2.140 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372904 1300952085 /nfs/dbraw/zinc/95/20/85/1300952085.db2.gz PYGNAMJREOZVQS-GPMSIDNRSA-N 2 1 339.499 2.459 20 30 EEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372904 1300952091 /nfs/dbraw/zinc/95/20/91/1300952091.db2.gz PYGNAMJREOZVQS-GPMSIDNRSA-N 2 1 339.499 2.459 20 30 EEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372904 1300952094 /nfs/dbraw/zinc/95/20/94/1300952094.db2.gz PYGNAMJREOZVQS-GPMSIDNRSA-N 2 1 339.499 2.459 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001103170781 1302378829 /nfs/dbraw/zinc/37/88/29/1302378829.db2.gz HWWQLGCJMRYVEZ-NVXWUHKLSA-N 2 1 338.455 2.354 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436322 1302959309 /nfs/dbraw/zinc/95/93/09/1302959309.db2.gz TUVHFLVITLKVLM-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436322 1302959313 /nfs/dbraw/zinc/95/93/13/1302959313.db2.gz TUVHFLVITLKVLM-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C[NH+](C)CCN1CCC2(CN(Cc3cc4ccc(C#N)cc4[nH]3)C2)C1 ZINC001277458350 1303276379 /nfs/dbraw/zinc/27/63/79/1303276379.db2.gz WRPHFXFIBYQQIG-UHFFFAOYSA-N 2 1 337.471 2.109 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001103753724 1303298215 /nfs/dbraw/zinc/29/82/15/1303298215.db2.gz XIIYQAUQDMLSGO-QZTJIDSGSA-N 2 1 341.499 2.459 20 30 EEEDMP N#Cc1ccc(Oc2ccc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)cc2)cc1 ZINC001234986319 1305073501 /nfs/dbraw/zinc/07/35/01/1305073501.db2.gz JOTVHEPBHSCTOQ-OAQYLSRUSA-N 2 1 348.450 2.488 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CCCCC1 ZINC001115571706 1305392207 /nfs/dbraw/zinc/39/22/07/1305392207.db2.gz LQUOELXLXWSOGA-SFHVURJKSA-N 2 1 333.520 2.396 20 30 EEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001158472919 1319257701 /nfs/dbraw/zinc/25/77/01/1319257701.db2.gz GLFVOGXNNLCUCE-GOEBONIOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001158472919 1319257707 /nfs/dbraw/zinc/25/77/07/1319257707.db2.gz GLFVOGXNNLCUCE-GOEBONIOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158472919 1319257715 /nfs/dbraw/zinc/25/77/15/1319257715.db2.gz GLFVOGXNNLCUCE-GOEBONIOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158472919 1319257725 /nfs/dbraw/zinc/25/77/25/1319257725.db2.gz GLFVOGXNNLCUCE-GOEBONIOSA-N 2 1 327.900 2.394 20 30 EEEDMP CCc1cc(C#N)ccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001248751928 1310931464 /nfs/dbraw/zinc/93/14/64/1310931464.db2.gz PQMMHJVCCASBHC-UHFFFAOYSA-N 2 1 326.488 2.334 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)s1 ZINC001160867063 1320296391 /nfs/dbraw/zinc/29/63/91/1320296391.db2.gz DXXZQTZKLSKLSY-YOEHRIQHSA-N 2 1 346.500 2.233 20 30 EEEDMP CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000835230729 1314906098 /nfs/dbraw/zinc/90/60/98/1314906098.db2.gz HITHZISIEBNBRL-HNNXBMFYSA-N 2 1 326.400 2.158 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001151352299 1316511071 /nfs/dbraw/zinc/51/10/71/1316511071.db2.gz XPRIIXRQSPTKNY-MSOLQXFVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455435 1317141701 /nfs/dbraw/zinc/14/17/01/1317141701.db2.gz QGZVXGQJLPHMGA-ZBFHGGJFSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455435 1317141705 /nfs/dbraw/zinc/14/17/05/1317141705.db2.gz QGZVXGQJLPHMGA-ZBFHGGJFSA-N 2 1 327.900 2.440 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409251 1317998750 /nfs/dbraw/zinc/99/87/50/1317998750.db2.gz GTAGRGKDELJOEX-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1cc(C#N)ccc1F ZINC001156525684 1318054360 /nfs/dbraw/zinc/05/43/60/1318054360.db2.gz UIMFYDJKCMKHDG-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1cc(C#N)ccc1F ZINC001156525684 1318054367 /nfs/dbraw/zinc/05/43/67/1318054367.db2.gz UIMFYDJKCMKHDG-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C#N)ccc1F ZINC001156525684 1318054377 /nfs/dbraw/zinc/05/43/77/1318054377.db2.gz UIMFYDJKCMKHDG-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C#N)ccc1F ZINC001156525684 1318054382 /nfs/dbraw/zinc/05/43/82/1318054382.db2.gz UIMFYDJKCMKHDG-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP C=CCN(CC=C)CC[NH+]1CCN(C2CC[NH+](CC(C)C)CC2)CC1 ZINC001258018699 1319132869 /nfs/dbraw/zinc/13/28/69/1319132869.db2.gz QXCMDGOAVFRQPL-UHFFFAOYSA-N 2 1 348.579 2.398 20 30 EEEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001159837186 1320001712 /nfs/dbraw/zinc/00/17/12/1320001712.db2.gz BGRIEAPDFOMFAS-OAHLLOKOSA-N 2 1 348.516 2.194 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699247 1320592020 /nfs/dbraw/zinc/59/20/20/1320592020.db2.gz PNOIJRLKEZCYCE-QGZVFWFLSA-N 2 1 337.508 2.058 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)Cn1c[nH+]cc1C ZINC001162859613 1320976736 /nfs/dbraw/zinc/97/67/36/1320976736.db2.gz FENLWGSFZIHIQM-UHFFFAOYSA-N 2 1 326.444 2.038 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC001164574509 1321422888 /nfs/dbraw/zinc/42/28/88/1321422888.db2.gz OLFURIGJCSCQBG-HOCLYGCPSA-N 2 1 346.450 2.024 20 30 EEEDMP C[C@@H]1C[N@H+](CCCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC001262562443 1322323999 /nfs/dbraw/zinc/32/39/99/1322323999.db2.gz AVPPLKLVPMFBCO-JTDSTZFVSA-N 2 1 331.460 2.071 20 30 EEEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206024034 1323372707 /nfs/dbraw/zinc/37/27/07/1323372707.db2.gz XXHNNVHMUXKPOQ-LJQANCHMSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCCCCC[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209423823 1324929852 /nfs/dbraw/zinc/92/98/52/1324929852.db2.gz ZJWMUKOOBRSYEW-UHFFFAOYSA-N 2 1 334.464 2.071 20 30 EEEDMP C=CCCCCC[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209423823 1324929854 /nfs/dbraw/zinc/92/98/54/1324929854.db2.gz ZJWMUKOOBRSYEW-UHFFFAOYSA-N 2 1 334.464 2.071 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001210492775 1325309357 /nfs/dbraw/zinc/30/93/57/1325309357.db2.gz CNHNVUVKMQWCPR-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001669910581 1356237612 /nfs/dbraw/zinc/23/76/12/1356237612.db2.gz OQYRDPUIVJCDPQ-MAUKXSAKSA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001669910581 1356237618 /nfs/dbraw/zinc/23/76/18/1356237618.db2.gz OQYRDPUIVJCDPQ-MAUKXSAKSA-N 2 1 349.906 2.468 20 30 EEEDMP C#CC[N@@H+](CCC(=O)Nc1ccc(OCC)cc1)C1CC[NH2+]CC1 ZINC001574666987 1343693134 /nfs/dbraw/zinc/69/31/34/1343693134.db2.gz LPEOCUFAEJJORZ-UHFFFAOYSA-N 2 1 329.444 2.101 20 30 EEEDMP C#CC[N@H+](CCC(=O)Nc1ccc(OCC)cc1)C1CC[NH2+]CC1 ZINC001574666987 1343693152 /nfs/dbraw/zinc/69/31/52/1343693152.db2.gz LPEOCUFAEJJORZ-UHFFFAOYSA-N 2 1 329.444 2.101 20 30 EEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001665072048 1355272247 /nfs/dbraw/zinc/27/22/47/1355272247.db2.gz XAGKJLIMASMDHU-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001665072048 1355272251 /nfs/dbraw/zinc/27/22/51/1355272251.db2.gz XAGKJLIMASMDHU-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156390 1368884253 /nfs/dbraw/zinc/88/42/53/1368884253.db2.gz DGRGOXNEQVHOFW-IBGZPJMESA-N 2 1 331.504 2.387 20 30 EEEDMP CCCC[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001369058945 1374488524 /nfs/dbraw/zinc/48/85/24/1374488524.db2.gz RZGMGKBDAIRUBF-RBUKOAKNSA-N 2 1 342.487 2.417 20 30 EEEDMP CC[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001376028994 1378244725 /nfs/dbraw/zinc/24/47/25/1378244725.db2.gz IAVQUUWEQWRDPN-IBGZPJMESA-N 2 1 342.487 2.321 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001377394041 1379201036 /nfs/dbraw/zinc/20/10/36/1379201036.db2.gz YCRUYBHRPCEGFH-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001377394041 1379201039 /nfs/dbraw/zinc/20/10/39/1379201039.db2.gz YCRUYBHRPCEGFH-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001377394041 1379201043 /nfs/dbraw/zinc/20/10/43/1379201043.db2.gz YCRUYBHRPCEGFH-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001382361677 1382087165 /nfs/dbraw/zinc/08/71/65/1382087165.db2.gz QIWYQKDCTPFWIM-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001382361677 1382087169 /nfs/dbraw/zinc/08/71/69/1382087169.db2.gz QIWYQKDCTPFWIM-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001382361677 1382087175 /nfs/dbraw/zinc/08/71/75/1382087175.db2.gz QIWYQKDCTPFWIM-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001392704134 1390164641 /nfs/dbraw/zinc/16/46/41/1390164641.db2.gz ABLWCVMITMMHGF-OAHLLOKOSA-N 2 1 348.516 2.288 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001392704134 1390164642 /nfs/dbraw/zinc/16/46/42/1390164642.db2.gz ABLWCVMITMMHGF-OAHLLOKOSA-N 2 1 348.516 2.288 20 30 EEEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001392879644 1390232543 /nfs/dbraw/zinc/23/25/43/1390232543.db2.gz RGEZVJJDDBAWGO-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001392879644 1390232548 /nfs/dbraw/zinc/23/25/48/1390232548.db2.gz RGEZVJJDDBAWGO-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001393789262 1390543443 /nfs/dbraw/zinc/54/34/43/1390543443.db2.gz RDHWLUUFYBBDKO-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001393789262 1390543445 /nfs/dbraw/zinc/54/34/45/1390543445.db2.gz RDHWLUUFYBBDKO-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001393789262 1390543447 /nfs/dbraw/zinc/54/34/47/1390543447.db2.gz RDHWLUUFYBBDKO-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP C=C(Br)C[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001394400529 1390686121 /nfs/dbraw/zinc/68/61/21/1390686121.db2.gz VLKLKAQGNJRLCK-UHFFFAOYSA-N 2 1 346.313 2.160 20 30 EEEDMP C=C(Br)C[NH+](C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001394400529 1390686124 /nfs/dbraw/zinc/68/61/24/1390686124.db2.gz VLKLKAQGNJRLCK-UHFFFAOYSA-N 2 1 346.313 2.160 20 30 EEEDMP C=C(Br)C[N@@H+](C)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001394400529 1390686125 /nfs/dbraw/zinc/68/61/25/1390686125.db2.gz VLKLKAQGNJRLCK-UHFFFAOYSA-N 2 1 346.313 2.160 20 30 EEEDMP C=C(Br)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001394400529 1390686126 /nfs/dbraw/zinc/68/61/26/1390686126.db2.gz VLKLKAQGNJRLCK-UHFFFAOYSA-N 2 1 346.313 2.160 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001400714684 1396552387 /nfs/dbraw/zinc/55/23/87/1396552387.db2.gz FKOQCPHINAKRGS-YOEHRIQHSA-N 2 1 348.516 2.239 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001400714684 1396552393 /nfs/dbraw/zinc/55/23/93/1396552393.db2.gz FKOQCPHINAKRGS-YOEHRIQHSA-N 2 1 348.516 2.239 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001402242155 1397890467 /nfs/dbraw/zinc/89/04/67/1397890467.db2.gz JSMAKKVKHNVVKD-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755075543 1407085727 /nfs/dbraw/zinc/08/57/27/1407085727.db2.gz ITAWZEJABZKNLT-XLIONFOSSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001755075543 1407085733 /nfs/dbraw/zinc/08/57/33/1407085733.db2.gz ITAWZEJABZKNLT-XLIONFOSSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001755075543 1407085737 /nfs/dbraw/zinc/08/57/37/1407085737.db2.gz ITAWZEJABZKNLT-XLIONFOSSA-N 2 1 341.499 2.447 20 30 EEEDMP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755521744 1407580600 /nfs/dbraw/zinc/58/06/00/1407580600.db2.gz PIIGJAFUGVFHOJ-ICSRJNTNSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]21 ZINC001755708359 1407761663 /nfs/dbraw/zinc/76/16/63/1407761663.db2.gz LWKRFMXIDOVWID-CEXWTWQISA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115759100 1411046087 /nfs/dbraw/zinc/04/60/87/1411046087.db2.gz XKKXMGUFFCYBAA-UHFFFAOYSA-N 2 1 330.476 2.439 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104291823 758132798 /nfs/dbraw/zinc/13/27/98/758132798.db2.gz WGIBJDIBVOAPJH-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001167628244 760773833 /nfs/dbraw/zinc/77/38/33/760773833.db2.gz XZRMHUGGTWRUQS-IBGZPJMESA-N 2 1 342.487 2.417 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461815 760940887 /nfs/dbraw/zinc/94/08/87/760940887.db2.gz SCGPQSMNYYOEOS-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461815 760940890 /nfs/dbraw/zinc/94/08/90/760940890.db2.gz SCGPQSMNYYOEOS-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461815 760940897 /nfs/dbraw/zinc/94/08/97/760940897.db2.gz SCGPQSMNYYOEOS-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3cncn3C)CC2)CC1 ZINC001075462007 760944680 /nfs/dbraw/zinc/94/46/80/760944680.db2.gz ZUHHCZKWLOEHGQ-QGZVFWFLSA-N 2 1 344.503 2.489 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@@H]21 ZINC001087296513 761513469 /nfs/dbraw/zinc/51/34/69/761513469.db2.gz ADOJDSFYNFTDSH-KBAYOESNSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@@H]21 ZINC001087296513 761513472 /nfs/dbraw/zinc/51/34/72/761513472.db2.gz ADOJDSFYNFTDSH-KBAYOESNSA-N 2 1 330.476 2.373 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CCC)[C@H]3C2(C)C)CC1 ZINC001087317078 761613025 /nfs/dbraw/zinc/61/30/25/761613025.db2.gz CFLQZJZWHDWJHZ-IPMKNSEASA-N 2 1 345.531 2.347 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C[C@@H](C)O2 ZINC001098606778 765221224 /nfs/dbraw/zinc/22/12/24/765221224.db2.gz VKXWZIQJBHHPSY-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494573 769711832 /nfs/dbraw/zinc/71/18/32/769711832.db2.gz WNVMQZJTMKOEDK-QRVBRYPASA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540193 770171362 /nfs/dbraw/zinc/17/13/62/770171362.db2.gz SHBZQFCMFZLMPZ-INIZCTEOSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C)CC(C)(C)C2)CC1 ZINC001089564850 770421844 /nfs/dbraw/zinc/42/18/44/770421844.db2.gz JXATYOHLDRHLNE-SFHVURJKSA-N 2 1 331.504 2.124 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088130128 782951210 /nfs/dbraw/zinc/95/12/10/782951210.db2.gz XKEOLYVIGLKQQO-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088130128 782951213 /nfs/dbraw/zinc/95/12/13/782951213.db2.gz XKEOLYVIGLKQQO-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088130128 782951216 /nfs/dbraw/zinc/95/12/16/782951216.db2.gz XKEOLYVIGLKQQO-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150398 782985881 /nfs/dbraw/zinc/98/58/81/782985881.db2.gz AENRRPKAHLMJJY-SJORKVTESA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150398 782985886 /nfs/dbraw/zinc/98/58/86/782985886.db2.gz AENRRPKAHLMJJY-SJORKVTESA-N 2 1 339.911 2.251 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000980004968 773701216 /nfs/dbraw/zinc/70/12/16/773701216.db2.gz WQKKDGAQBLMQAG-KSZLIROESA-N 2 1 331.504 2.265 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001089649228 773742471 /nfs/dbraw/zinc/74/24/71/773742471.db2.gz DZEYXPDARKKTGD-SJORKVTESA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649228 773742479 /nfs/dbraw/zinc/74/24/79/773742479.db2.gz DZEYXPDARKKTGD-SJORKVTESA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649228 773742485 /nfs/dbraw/zinc/74/24/85/773742485.db2.gz DZEYXPDARKKTGD-SJORKVTESA-N 2 1 342.487 2.391 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767226 778164933 /nfs/dbraw/zinc/16/49/33/778164933.db2.gz JDSGBKNJLWGUBK-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981767226 778164934 /nfs/dbraw/zinc/16/49/34/778164934.db2.gz JDSGBKNJLWGUBK-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767226 778164936 /nfs/dbraw/zinc/16/49/36/778164936.db2.gz JDSGBKNJLWGUBK-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000982011628 778859158 /nfs/dbraw/zinc/85/91/58/778859158.db2.gz GVWBPBFULCRQII-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000982011628 778859163 /nfs/dbraw/zinc/85/91/63/778859163.db2.gz GVWBPBFULCRQII-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000982011628 778859166 /nfs/dbraw/zinc/85/91/66/778859166.db2.gz GVWBPBFULCRQII-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000982011628 778859171 /nfs/dbraw/zinc/85/91/71/778859171.db2.gz GVWBPBFULCRQII-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292762 779578228 /nfs/dbraw/zinc/57/82/28/779578228.db2.gz WWNPPOSFRVNZID-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292762 779578235 /nfs/dbraw/zinc/57/82/35/779578235.db2.gz WWNPPOSFRVNZID-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292762 779578245 /nfs/dbraw/zinc/57/82/45/779578245.db2.gz WWNPPOSFRVNZID-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccsc2)CC1 ZINC001028333377 780773977 /nfs/dbraw/zinc/77/39/77/780773977.db2.gz ITEKVYUJTXRQTR-GOSISDBHSA-N 2 1 345.512 2.174 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122480 780871902 /nfs/dbraw/zinc/87/19/02/780871902.db2.gz PFADGVVEVQMRKV-KFWWJZLASA-N 2 1 347.425 2.416 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F ZINC001112130954 781123355 /nfs/dbraw/zinc/12/33/55/781123355.db2.gz BRNPXPKTRHLDIT-ZIAGYGMSSA-N 2 1 344.381 2.137 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001135436855 783766620 /nfs/dbraw/zinc/76/66/20/783766620.db2.gz CMTPSXCGHBGAPP-UHFFFAOYSA-N 2 1 329.488 2.256 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC3CCC3)C2)CC1 ZINC001035195414 784088294 /nfs/dbraw/zinc/08/82/94/784088294.db2.gz VLTOFYPTDGOQFP-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC3CCC3)C2)CC1 ZINC001035195414 784088300 /nfs/dbraw/zinc/08/83/00/784088300.db2.gz VLTOFYPTDGOQFP-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1 ZINC001035195414 784088307 /nfs/dbraw/zinc/08/83/07/784088307.db2.gz VLTOFYPTDGOQFP-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC001035195414 784088311 /nfs/dbraw/zinc/08/83/11/784088311.db2.gz VLTOFYPTDGOQFP-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035244759 784177539 /nfs/dbraw/zinc/17/75/39/784177539.db2.gz AEEZYVLCJBYUIO-UHFFFAOYSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107567584 787673085 /nfs/dbraw/zinc/67/30/85/787673085.db2.gz AANIMNUXKJAHLF-YLJYHZDGSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107567584 787673096 /nfs/dbraw/zinc/67/30/96/787673096.db2.gz AANIMNUXKJAHLF-YLJYHZDGSA-N 2 1 342.487 2.391 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001109727818 805907736 /nfs/dbraw/zinc/90/77/36/805907736.db2.gz XPTVJWAMTVWBBS-AABGKKOBSA-N 2 1 341.499 2.459 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001109727818 805907742 /nfs/dbraw/zinc/90/77/42/805907742.db2.gz XPTVJWAMTVWBBS-AABGKKOBSA-N 2 1 341.499 2.459 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109727818 805907747 /nfs/dbraw/zinc/90/77/47/805907747.db2.gz XPTVJWAMTVWBBS-AABGKKOBSA-N 2 1 341.499 2.459 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109727818 805907753 /nfs/dbraw/zinc/90/77/53/805907753.db2.gz XPTVJWAMTVWBBS-AABGKKOBSA-N 2 1 341.499 2.459 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001146592808 791361551 /nfs/dbraw/zinc/36/15/51/791361551.db2.gz LMKAAPXJRZFBCD-HOTGVXAUSA-N 2 1 330.476 2.271 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccc2C)C1 ZINC000998922532 793565823 /nfs/dbraw/zinc/56/58/23/793565823.db2.gz HYSBJYRIKMZQEE-MHJFOBGBSA-N 2 1 339.483 2.172 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccc2C)C1 ZINC000998922532 793565828 /nfs/dbraw/zinc/56/58/28/793565828.db2.gz HYSBJYRIKMZQEE-MHJFOBGBSA-N 2 1 339.483 2.172 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092964905 794502953 /nfs/dbraw/zinc/50/29/53/794502953.db2.gz SWOJRKRWXLZAKE-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092964905 794502960 /nfs/dbraw/zinc/50/29/60/794502960.db2.gz SWOJRKRWXLZAKE-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717580 794611962 /nfs/dbraw/zinc/61/19/62/794611962.db2.gz YBTKKWJKGUKPSB-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001110016589 806391971 /nfs/dbraw/zinc/39/19/71/806391971.db2.gz VUISYUGVBQYHQP-AABGKKOBSA-N 2 1 339.483 2.101 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001110016589 806391979 /nfs/dbraw/zinc/39/19/79/806391979.db2.gz VUISYUGVBQYHQP-AABGKKOBSA-N 2 1 339.483 2.101 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001110016589 806391987 /nfs/dbraw/zinc/39/19/87/806391987.db2.gz VUISYUGVBQYHQP-AABGKKOBSA-N 2 1 339.483 2.101 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001110016589 806391995 /nfs/dbraw/zinc/39/19/95/806391995.db2.gz VUISYUGVBQYHQP-AABGKKOBSA-N 2 1 339.483 2.101 20 30 EEEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107992980 795245985 /nfs/dbraw/zinc/24/59/85/795245985.db2.gz FTIVWCLKDPIJAB-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107992980 795245989 /nfs/dbraw/zinc/24/59/89/795245989.db2.gz FTIVWCLKDPIJAB-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107992980 795245991 /nfs/dbraw/zinc/24/59/91/795245991.db2.gz FTIVWCLKDPIJAB-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036860011 795511251 /nfs/dbraw/zinc/51/12/51/795511251.db2.gz ZIERXXMYJPSQIL-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001093833112 795717440 /nfs/dbraw/zinc/71/74/40/795717440.db2.gz SFKKVUDVZQYUJY-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001093833112 795717443 /nfs/dbraw/zinc/71/74/43/795717443.db2.gz SFKKVUDVZQYUJY-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993570487 796828954 /nfs/dbraw/zinc/82/89/54/796828954.db2.gz HNBSUIHCTZONJO-RDJZCZTQSA-N 2 1 339.443 2.426 20 30 EEEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001172495531 797006695 /nfs/dbraw/zinc/00/66/95/797006695.db2.gz RAQQDKUIGZSBBY-BHIYHBOVSA-N 2 1 346.519 2.476 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976916 797178127 /nfs/dbraw/zinc/17/81/27/797178127.db2.gz XBNMAXGLQDFRDA-XHSDSOJGSA-N 2 1 336.480 2.352 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994012503 797226757 /nfs/dbraw/zinc/22/67/57/797226757.db2.gz UXZZEFZPAPGBGU-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295885 798051868 /nfs/dbraw/zinc/05/18/68/798051868.db2.gz KEQLUXXZDNEKHB-KRWDZBQOSA-N 2 1 341.540 2.432 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+]([C@H](C)c3ccccc3C)C2)CC1 ZINC001031436442 798396936 /nfs/dbraw/zinc/39/69/36/798396936.db2.gz HNRNUSJNQNXJHW-QGZVFWFLSA-N 2 1 339.483 2.202 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958395 798577543 /nfs/dbraw/zinc/57/75/43/798577543.db2.gz XONNLVNECVACKS-HOJAQTOUSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084958395 798577549 /nfs/dbraw/zinc/57/75/49/798577549.db2.gz XONNLVNECVACKS-HOJAQTOUSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084958395 798577553 /nfs/dbraw/zinc/57/75/53/798577553.db2.gz XONNLVNECVACKS-HOJAQTOUSA-N 2 1 343.515 2.340 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001176844205 798586004 /nfs/dbraw/zinc/58/60/04/798586004.db2.gz GJHSVGJNLCMWBR-GASCZTMLSA-N 2 1 346.450 2.166 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001176986285 798675245 /nfs/dbraw/zinc/67/52/45/798675245.db2.gz JNZVBBWJLXLLNW-GOSISDBHSA-N 2 1 346.450 2.168 20 30 EEEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001016340512 798727733 /nfs/dbraw/zinc/72/77/33/798727733.db2.gz XOKSLLXXKGOLFN-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001016340512 798727737 /nfs/dbraw/zinc/72/77/37/798727737.db2.gz XOKSLLXXKGOLFN-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001016340512 798727739 /nfs/dbraw/zinc/72/77/39/798727739.db2.gz XOKSLLXXKGOLFN-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001016340512 798727745 /nfs/dbraw/zinc/72/77/45/798727745.db2.gz XOKSLLXXKGOLFN-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177341892 798875521 /nfs/dbraw/zinc/87/55/21/798875521.db2.gz FBNFWDDSTFJYHP-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177341892 798875531 /nfs/dbraw/zinc/87/55/31/798875531.db2.gz FBNFWDDSTFJYHP-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495836 799164885 /nfs/dbraw/zinc/16/48/85/799164885.db2.gz PKJKKBSEEAVOEP-IAGOWNOFSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495836 799164892 /nfs/dbraw/zinc/16/48/92/799164892.db2.gz PKJKKBSEEAVOEP-IAGOWNOFSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495836 799164898 /nfs/dbraw/zinc/16/48/98/799164898.db2.gz PKJKKBSEEAVOEP-IAGOWNOFSA-N 2 1 337.508 2.031 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181728650 800882552 /nfs/dbraw/zinc/88/25/52/800882552.db2.gz PTENVDCMYNZMMX-SLYNCCJLSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001182000581 800992384 /nfs/dbraw/zinc/99/23/84/800992384.db2.gz DUOVFNMASVZZTC-WSTZPKSXSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004452134 802084438 /nfs/dbraw/zinc/08/44/38/802084438.db2.gz RILOMBGIZHZXJT-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004452134 802084445 /nfs/dbraw/zinc/08/44/45/802084445.db2.gz RILOMBGIZHZXJT-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004452134 802084451 /nfs/dbraw/zinc/08/44/51/802084451.db2.gz RILOMBGIZHZXJT-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623349 802287311 /nfs/dbraw/zinc/28/73/11/802287311.db2.gz IRODZBSAYPBFRD-IYBDPMFKSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001108259101 802632307 /nfs/dbraw/zinc/63/23/07/802632307.db2.gz YWDXAVQSJMRXFX-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001108259101 802632309 /nfs/dbraw/zinc/63/23/09/802632309.db2.gz YWDXAVQSJMRXFX-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001108259101 802632312 /nfs/dbraw/zinc/63/23/12/802632312.db2.gz YWDXAVQSJMRXFX-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001108259101 802632316 /nfs/dbraw/zinc/63/23/16/802632316.db2.gz YWDXAVQSJMRXFX-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C/C(=[NH+]\COC)n1cc(C[C@](C)([NH3+])C(=O)OC)c2ccccc21 ZINC001169112923 803633009 /nfs/dbraw/zinc/63/30/09/803633009.db2.gz RMGJEXIQGGBCMY-CSRGTXSUSA-N 2 1 329.400 2.111 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130412296 811600188 /nfs/dbraw/zinc/60/01/88/811600188.db2.gz NYPFESLJJAKEEF-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415347 811603449 /nfs/dbraw/zinc/60/34/49/811603449.db2.gz FSLCKVMDDJRQNR-HZPDHXFCSA-N 2 1 347.507 2.122 20 30 EEEDMP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)CCC[NH+]1CCCC1 ZINC001438940370 1091625647 /nfs/dbraw/zinc/62/56/47/1091625647.db2.gz YEKHCWAKMYFKPL-UHFFFAOYSA-N 2 1 342.487 2.324 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001440131796 1093198140 /nfs/dbraw/zinc/19/81/40/1093198140.db2.gz ZMOBQCIPUCJYQW-KBPBESRZSA-N 2 1 346.313 2.063 20 30 EEEDMP C[N@H+](CC(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001494593877 1104180086 /nfs/dbraw/zinc/18/00/86/1104180086.db2.gz NAHPTSJONLUJTM-UHFFFAOYSA-N 2 1 342.487 2.084 20 30 EEEDMP C[N@@H+](CC(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001494593877 1104180090 /nfs/dbraw/zinc/18/00/90/1104180090.db2.gz NAHPTSJONLUJTM-UHFFFAOYSA-N 2 1 342.487 2.084 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(F)c(C#N)c1 ZINC001493148513 1107595096 /nfs/dbraw/zinc/59/50/96/1107595096.db2.gz KOQRKPVJDXXPLU-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(F)c(C#N)c1 ZINC001493148513 1107595102 /nfs/dbraw/zinc/59/51/02/1107595102.db2.gz KOQRKPVJDXXPLU-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001493148513 1107595107 /nfs/dbraw/zinc/59/51/07/1107595107.db2.gz KOQRKPVJDXXPLU-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001493148513 1107595112 /nfs/dbraw/zinc/59/51/12/1107595112.db2.gz KOQRKPVJDXXPLU-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001505443151 1113977333 /nfs/dbraw/zinc/97/73/33/1113977333.db2.gz FGYMHCAMIWBMFJ-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000491418445 246025436 /nfs/dbraw/zinc/02/54/36/246025436.db2.gz QUCIBHFBTYZYBM-OAHLLOKOSA-N 2 1 330.350 2.163 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000491418445 246025441 /nfs/dbraw/zinc/02/54/41/246025441.db2.gz QUCIBHFBTYZYBM-OAHLLOKOSA-N 2 1 330.350 2.163 20 30 EEEDMP CC(C)[N@@H+](C)CC1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000533272924 270022418 /nfs/dbraw/zinc/02/24/18/270022418.db2.gz RISJXNZXICJEQB-SFHVURJKSA-N 2 1 328.460 2.137 20 30 EEEDMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000533272924 270022419 /nfs/dbraw/zinc/02/24/19/270022419.db2.gz RISJXNZXICJEQB-SFHVURJKSA-N 2 1 328.460 2.137 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000533272924 270022420 /nfs/dbraw/zinc/02/24/20/270022420.db2.gz RISJXNZXICJEQB-SFHVURJKSA-N 2 1 328.460 2.137 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087704741 782080501 /nfs/dbraw/zinc/08/05/01/782080501.db2.gz GTHPICDHUCWBRD-BPQIPLTHSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087704741 782080508 /nfs/dbraw/zinc/08/05/08/782080508.db2.gz GTHPICDHUCWBRD-BPQIPLTHSA-N 2 1 330.476 2.299 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000341297131 465097861 /nfs/dbraw/zinc/09/78/61/465097861.db2.gz LXSNVLYKBMTUCX-QXAKKESOSA-N 2 1 348.535 2.467 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000119034712 462868894 /nfs/dbraw/zinc/86/88/94/462868894.db2.gz ANNRIZKPSSMYOT-INIZCTEOSA-N 2 1 340.475 2.178 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)C[C@H](C)O1 ZINC000264059034 464276957 /nfs/dbraw/zinc/27/69/57/464276957.db2.gz CDLLDRFNOHESBF-GASCZTMLSA-N 2 1 332.492 2.499 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264054100 464277598 /nfs/dbraw/zinc/27/75/98/464277598.db2.gz AAPURMWPPPVTAO-IBGZPJMESA-N 3 1 343.519 2.171 20 30 EEEDMP CCCCCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272787448 464689065 /nfs/dbraw/zinc/68/90/65/464689065.db2.gz BYQWYJHKAMPGRD-SFHVURJKSA-N 2 1 332.492 2.238 20 30 EEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000247885141 464711493 /nfs/dbraw/zinc/71/14/93/464711493.db2.gz CTLFYOJVTZFGQN-FUHWJXTLSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000247885141 464711499 /nfs/dbraw/zinc/71/14/99/464711499.db2.gz CTLFYOJVTZFGQN-FUHWJXTLSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000247885141 464711505 /nfs/dbraw/zinc/71/15/05/464711505.db2.gz CTLFYOJVTZFGQN-FUHWJXTLSA-N 2 1 326.444 2.303 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(F)cccc1OC(F)F ZINC000267717104 464939207 /nfs/dbraw/zinc/93/92/07/464939207.db2.gz UMNRMLYUWVWBFJ-LLVKDONJSA-N 2 1 344.381 2.316 20 30 EEEDMP C=CCOCCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000348040499 465388599 /nfs/dbraw/zinc/38/85/99/465388599.db2.gz DOBMQRAMZXNXPR-HDICACEKSA-N 2 1 340.508 2.169 20 30 EEEDMP C=CCOCCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000348040499 465388608 /nfs/dbraw/zinc/38/86/08/465388608.db2.gz DOBMQRAMZXNXPR-HDICACEKSA-N 2 1 340.508 2.169 20 30 EEEDMP C[C@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCC(C)CC1 ZINC000329963948 465489916 /nfs/dbraw/zinc/48/99/16/465489916.db2.gz SURYQMFLCJOKII-HZPDHXFCSA-N 2 1 333.480 2.070 20 30 EEEDMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329975391 465493074 /nfs/dbraw/zinc/49/30/74/465493074.db2.gz ZSDVNKYBZRNUOH-HZPDHXFCSA-N 2 1 347.507 2.460 20 30 EEEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329975391 465493079 /nfs/dbraw/zinc/49/30/79/465493079.db2.gz ZSDVNKYBZRNUOH-HZPDHXFCSA-N 2 1 347.507 2.460 20 30 EEEDMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000330126731 465542173 /nfs/dbraw/zinc/54/21/73/465542173.db2.gz ITACDPUXFWTMIC-SJORKVTESA-N 2 1 343.475 2.053 20 30 EEEDMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000330126731 465542175 /nfs/dbraw/zinc/54/21/75/465542175.db2.gz ITACDPUXFWTMIC-SJORKVTESA-N 2 1 343.475 2.053 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000343748070 465548793 /nfs/dbraw/zinc/54/87/93/465548793.db2.gz ZJCHXAWCJIEZCF-QGZVFWFLSA-N 2 1 326.488 2.353 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000299309937 465692076 /nfs/dbraw/zinc/69/20/76/465692076.db2.gz JKGQQQHCSWURAR-UHFFFAOYSA-N 2 1 339.483 2.454 20 30 EEEDMP C[C@@H](c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1)[NH+]1CCOCC1 ZINC000424164509 466994547 /nfs/dbraw/zinc/99/45/47/466994547.db2.gz ZLJRMBFCFMMUDZ-YOEHRIQHSA-N 2 1 330.432 2.039 20 30 EEEDMP N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000576693899 468170107 /nfs/dbraw/zinc/17/01/07/468170107.db2.gz MLVSAZSSEVMPSL-AYOQOUSVSA-N 2 1 340.471 2.166 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000567680093 468181626 /nfs/dbraw/zinc/18/16/26/468181626.db2.gz PBAMGAXYBBHPNJ-IBGZPJMESA-N 2 1 343.471 2.122 20 30 EEEDMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000595484283 468872352 /nfs/dbraw/zinc/87/23/52/468872352.db2.gz PGPLGNZNKKJBAC-MRXNPFEDSA-N 2 1 349.450 2.242 20 30 EEEDMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1C#N ZINC000593315546 468936721 /nfs/dbraw/zinc/93/67/21/468936721.db2.gz LEVNTQUOGCCKQO-YQVWRLOYSA-N 2 1 329.444 2.285 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000660705253 471453239 /nfs/dbraw/zinc/45/32/39/471453239.db2.gz UJHWMOCYZAQMEI-LJQANCHMSA-N 2 1 342.487 2.211 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1CC ZINC001087728294 782140758 /nfs/dbraw/zinc/14/07/58/782140758.db2.gz PCZOBAWDPHKMDV-FUHWJXTLSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1CC ZINC001087728294 782140765 /nfs/dbraw/zinc/14/07/65/782140765.db2.gz PCZOBAWDPHKMDV-FUHWJXTLSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000171713278 526433072 /nfs/dbraw/zinc/43/30/72/526433072.db2.gz UDJQXYMSBMSKMX-UHFFFAOYSA-N 2 1 331.464 2.142 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004165 526541179 /nfs/dbraw/zinc/54/11/79/526541179.db2.gz PKQIIECNAAFTQD-DLBZAZTESA-N 2 1 332.492 2.488 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004165 526541183 /nfs/dbraw/zinc/54/11/83/526541183.db2.gz PKQIIECNAAFTQD-DLBZAZTESA-N 2 1 332.492 2.488 20 30 EEEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326653 675790137 /nfs/dbraw/zinc/79/01/37/675790137.db2.gz UVTVVHBTTGCPOD-LPHOPBHVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039249892 676266445 /nfs/dbraw/zinc/26/64/45/676266445.db2.gz FNYIMBURIWYHRI-OALUTQOASA-N 2 1 331.504 2.199 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971688273 676738917 /nfs/dbraw/zinc/73/89/17/676738917.db2.gz VOQCTFYZYIWIRD-HNNXBMFYSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1)C1CCC1 ZINC000971688273 676738918 /nfs/dbraw/zinc/73/89/18/676738918.db2.gz VOQCTFYZYIWIRD-HNNXBMFYSA-N 2 1 346.500 2.137 20 30 EEEDMP CN(Cc1ccccc1C#N)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971686874 676740352 /nfs/dbraw/zinc/74/03/52/676740352.db2.gz GXVVWFRDPGWBEM-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971686874 676740357 /nfs/dbraw/zinc/74/03/57/676740357.db2.gz GXVVWFRDPGWBEM-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1)C1CCC1 ZINC000971686874 676740360 /nfs/dbraw/zinc/74/03/60/676740360.db2.gz GXVVWFRDPGWBEM-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1)C1CCC1 ZINC000971686874 676740361 /nfs/dbraw/zinc/74/03/61/676740361.db2.gz GXVVWFRDPGWBEM-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC000971735845 676766813 /nfs/dbraw/zinc/76/68/13/676766813.db2.gz MMEHMCMHABPMEZ-YOEHRIQHSA-N 2 1 348.516 2.239 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761931 679569059 /nfs/dbraw/zinc/56/90/59/679569059.db2.gz MXKHSFGCMYBNKR-GOSISDBHSA-N 2 1 327.472 2.213 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024022405 679765152 /nfs/dbraw/zinc/76/51/52/679765152.db2.gz XGYZILXTQMHPDH-MJGOQNOKSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024022405 679765153 /nfs/dbraw/zinc/76/51/53/679765153.db2.gz XGYZILXTQMHPDH-MJGOQNOKSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@H+](CCCC)C[C@]3(C)C2)CC1 ZINC000982831225 681351394 /nfs/dbraw/zinc/35/13/94/681351394.db2.gz JKZGVQCRIAKZFD-OYRHEFFESA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028623817 681397782 /nfs/dbraw/zinc/39/77/82/681397782.db2.gz OAUZDSXOTBGKNZ-HNNXBMFYSA-N 2 1 325.884 2.053 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028623817 681397787 /nfs/dbraw/zinc/39/77/87/681397787.db2.gz OAUZDSXOTBGKNZ-HNNXBMFYSA-N 2 1 325.884 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541714 681863049 /nfs/dbraw/zinc/86/30/49/681863049.db2.gz FBSHKOOFMATTJX-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541714 681863056 /nfs/dbraw/zinc/86/30/56/681863056.db2.gz FBSHKOOFMATTJX-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541714 681863060 /nfs/dbraw/zinc/86/30/60/681863060.db2.gz FBSHKOOFMATTJX-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CCS[C@H](C(C)C)C1 ZINC000261746682 681943499 /nfs/dbraw/zinc/94/34/99/681943499.db2.gz LJEJABRJOKFZES-HOTGVXAUSA-N 2 1 326.554 2.367 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982726235 682111788 /nfs/dbraw/zinc/11/17/88/682111788.db2.gz SVWMZHPRXUFFRJ-JYAXBFRTSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277042 682381915 /nfs/dbraw/zinc/38/19/15/682381915.db2.gz MSEWZHWBNYLXGT-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277042 682381921 /nfs/dbraw/zinc/38/19/21/682381921.db2.gz MSEWZHWBNYLXGT-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277539 682386806 /nfs/dbraw/zinc/38/68/06/682386806.db2.gz POMOZAODAGFXJG-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277539 682386812 /nfs/dbraw/zinc/38/68/12/682386812.db2.gz POMOZAODAGFXJG-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC001029004524 682654031 /nfs/dbraw/zinc/65/40/31/682654031.db2.gz YJFBPIAUPMQFHN-MRXNPFEDSA-N 2 1 345.512 2.031 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261987779 682734317 /nfs/dbraw/zinc/73/43/17/682734317.db2.gz QMTNGUJZQBFFOV-BZSNNMDCSA-N 2 1 346.523 2.073 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001026464280 684677818 /nfs/dbraw/zinc/67/78/18/684677818.db2.gz AYIMVJUWXJGPJG-CTWPCTMYSA-N 2 1 340.471 2.169 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598443 685114057 /nfs/dbraw/zinc/11/40/57/685114057.db2.gz CIWFKVCTKWATSD-IEBWSBKVSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000985599372 687292487 /nfs/dbraw/zinc/29/24/87/687292487.db2.gz OCSZXAUSQNZVBB-GJZGRUSLSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000985599372 687292489 /nfs/dbraw/zinc/29/24/89/687292489.db2.gz OCSZXAUSQNZVBB-GJZGRUSLSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000985599372 687292492 /nfs/dbraw/zinc/29/24/92/687292492.db2.gz OCSZXAUSQNZVBB-GJZGRUSLSA-N 2 1 327.900 2.392 20 30 EEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411275 687977537 /nfs/dbraw/zinc/97/75/37/687977537.db2.gz OCSVKMGSLKBEEO-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027411275 687977543 /nfs/dbraw/zinc/97/75/43/687977543.db2.gz OCSVKMGSLKBEEO-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027411275 687977550 /nfs/dbraw/zinc/97/75/50/687977550.db2.gz OCSVKMGSLKBEEO-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000987269709 689565759 /nfs/dbraw/zinc/56/57/59/689565759.db2.gz SLYRIWPBXRDDML-CZUORRHYSA-N 2 1 345.834 2.212 20 30 EEEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240285 692050057 /nfs/dbraw/zinc/05/00/57/692050057.db2.gz DXJVNWMVFNWNMS-ICSRJNTNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240285 692050061 /nfs/dbraw/zinc/05/00/61/692050061.db2.gz DXJVNWMVFNWNMS-ICSRJNTNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240285 692050063 /nfs/dbraw/zinc/05/00/63/692050063.db2.gz DXJVNWMVFNWNMS-ICSRJNTNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@]2(O)CCCC[C@H]2CC(=O)OCC)CC1 ZINC000905094157 694538619 /nfs/dbraw/zinc/53/86/19/694538619.db2.gz DIMFALLNWHJRJW-QFBILLFUSA-N 2 1 338.492 2.101 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990686121 693219250 /nfs/dbraw/zinc/21/92/50/693219250.db2.gz NMNVXBLERVDVGU-CMKODMSKSA-N 2 1 331.504 2.408 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089892786 1193201455 /nfs/dbraw/zinc/20/14/55/1193201455.db2.gz LQRQAQUFSDZWOC-YVSFHVDLSA-N 2 1 349.906 2.004 20 30 EEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001088381416 1186747335 /nfs/dbraw/zinc/74/73/35/1186747335.db2.gz DNJSCTDUUPSDIG-LPHOPBHVSA-N 2 1 337.483 2.193 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001105429241 1187056091 /nfs/dbraw/zinc/05/60/91/1187056091.db2.gz RVDQJVRAFNWFSC-SBHAEUEKSA-N 2 1 341.499 2.463 20 30 EEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105561707 1188178051 /nfs/dbraw/zinc/17/80/51/1188178051.db2.gz PRIYBRVJMUAHOP-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105564071 1188180558 /nfs/dbraw/zinc/18/05/58/1188180558.db2.gz VWAVJLPPNBNDPW-MOPGFXCFSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105574594 1188188390 /nfs/dbraw/zinc/18/83/90/1188188390.db2.gz BQBFLUWQPVVBQE-RTBURBONSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105574591 1188188511 /nfs/dbraw/zinc/18/85/11/1188188511.db2.gz BQBFLUWQPVVBQE-MOPGFXCFSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605612 1189036379 /nfs/dbraw/zinc/03/63/79/1189036379.db2.gz JFQOIHRSTKEFBV-JKSUJKDBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605612 1189036384 /nfs/dbraw/zinc/03/63/84/1189036384.db2.gz JFQOIHRSTKEFBV-JKSUJKDBSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001272671631 1191012486 /nfs/dbraw/zinc/01/24/86/1191012486.db2.gz ARYVRDGKOCVZKY-FQEVSTJZSA-N 2 1 336.439 2.401 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001272671631 1191012488 /nfs/dbraw/zinc/01/24/88/1191012488.db2.gz ARYVRDGKOCVZKY-FQEVSTJZSA-N 2 1 336.439 2.401 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033836407 1195354080 /nfs/dbraw/zinc/35/40/80/1195354080.db2.gz AWNXWHNQEQOWLR-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033836407 1195354084 /nfs/dbraw/zinc/35/40/84/1195354084.db2.gz AWNXWHNQEQOWLR-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033836407 1195354087 /nfs/dbraw/zinc/35/40/87/1195354087.db2.gz AWNXWHNQEQOWLR-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033836407 1195354091 /nfs/dbraw/zinc/35/40/91/1195354091.db2.gz AWNXWHNQEQOWLR-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033836407 1195354096 /nfs/dbraw/zinc/35/40/96/1195354096.db2.gz AWNXWHNQEQOWLR-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033836407 1195354102 /nfs/dbraw/zinc/35/41/02/1195354102.db2.gz AWNXWHNQEQOWLR-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034528043 1196332485 /nfs/dbraw/zinc/33/24/85/1196332485.db2.gz IUYZLZJSDYCPJM-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N)C1CCC1 ZINC001034957737 1196918364 /nfs/dbraw/zinc/91/83/64/1196918364.db2.gz HHIUCCRYQHUKQA-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCC(C[N@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001273143076 1196999286 /nfs/dbraw/zinc/99/92/86/1196999286.db2.gz AZNPCFRPYOXSFK-HXUWFJFHSA-N 2 1 346.519 2.479 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@H]1C ZINC001411038502 1198720664 /nfs/dbraw/zinc/72/06/64/1198720664.db2.gz GAYSQRLWRSCMEE-YOEHRIQHSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@H]1C ZINC001411038502 1198720668 /nfs/dbraw/zinc/72/06/68/1198720668.db2.gz GAYSQRLWRSCMEE-YOEHRIQHSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC001411038502 1198720671 /nfs/dbraw/zinc/72/06/71/1198720671.db2.gz GAYSQRLWRSCMEE-YOEHRIQHSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC001411038502 1198720674 /nfs/dbraw/zinc/72/06/74/1198720674.db2.gz GAYSQRLWRSCMEE-YOEHRIQHSA-N 2 1 348.516 2.431 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCC=C)C2)CC1 ZINC001132517648 1199800567 /nfs/dbraw/zinc/80/05/67/1199800567.db2.gz GFAOSCIKYVGTMP-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525750 1199821493 /nfs/dbraw/zinc/82/14/93/1199821493.db2.gz UZRAASFHHGXNGZ-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000104170094 1204611411 /nfs/dbraw/zinc/61/14/11/1204611411.db2.gz DLWJGSXVGYEELK-FGTMMUONSA-N 3 1 337.556 2.133 20 30 EEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104170094 1204611416 /nfs/dbraw/zinc/61/14/16/1204611416.db2.gz DLWJGSXVGYEELK-FGTMMUONSA-N 3 1 337.556 2.133 20 30 EEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104170094 1204611420 /nfs/dbraw/zinc/61/14/20/1204611420.db2.gz DLWJGSXVGYEELK-FGTMMUONSA-N 3 1 337.556 2.133 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](C[C@@H]4CCOC4)C[C@H]3CC2)cc1C#N ZINC001275171724 1205273480 /nfs/dbraw/zinc/27/34/80/1205273480.db2.gz KRUZVGCLDOXDAE-YTQUADARSA-N 2 1 342.487 2.077 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]3CC2)cc1C#N ZINC001275171724 1205273481 /nfs/dbraw/zinc/27/34/81/1205273481.db2.gz KRUZVGCLDOXDAE-YTQUADARSA-N 2 1 342.487 2.077 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]3CC2)cc1C#N ZINC001275171724 1205273484 /nfs/dbraw/zinc/27/34/84/1205273484.db2.gz KRUZVGCLDOXDAE-YTQUADARSA-N 2 1 342.487 2.077 20 30 EEEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cncs2)CC3)cc1C#N ZINC001276060898 1205757248 /nfs/dbraw/zinc/75/72/48/1205757248.db2.gz WUFNDHYLGKEGOO-UHFFFAOYSA-N 2 1 341.484 2.451 20 30 EEEDMP C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001095440185 1205758038 /nfs/dbraw/zinc/75/80/38/1205758038.db2.gz ZJLAPJZBYLNIKE-CWVYHPPDSA-N 2 1 325.884 2.191 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947722856 1208686899 /nfs/dbraw/zinc/68/68/99/1208686899.db2.gz MHLSYOHEMBCYRJ-VQIMIIECSA-N 2 1 327.472 2.007 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947908775 1208771302 /nfs/dbraw/zinc/77/13/02/1208771302.db2.gz VHCIPYCEFJFAAS-QFBILLFUSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642668 1209269038 /nfs/dbraw/zinc/26/90/38/1209269038.db2.gz NASCAGGMPHEJND-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948741423 1209339374 /nfs/dbraw/zinc/33/93/74/1209339374.db2.gz BAQYCBKURFHFPZ-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820139 1209400394 /nfs/dbraw/zinc/40/03/94/1209400394.db2.gz AKUCDYUAQYFTME-QGZVFWFLSA-N 2 1 330.476 2.343 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820139 1209400397 /nfs/dbraw/zinc/40/03/97/1209400397.db2.gz AKUCDYUAQYFTME-QGZVFWFLSA-N 2 1 330.476 2.343 20 30 EEEDMP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948986122 1209490600 /nfs/dbraw/zinc/49/06/00/1209490600.db2.gz IOSQJUHCNSHNEQ-MJGOQNOKSA-N 2 1 327.472 2.230 20 30 EEEDMP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948986122 1209490602 /nfs/dbraw/zinc/49/06/02/1209490602.db2.gz IOSQJUHCNSHNEQ-MJGOQNOKSA-N 2 1 327.472 2.230 20 30 EEEDMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948986122 1209490604 /nfs/dbraw/zinc/49/06/04/1209490604.db2.gz IOSQJUHCNSHNEQ-MJGOQNOKSA-N 2 1 327.472 2.230 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC000960355431 1216510927 /nfs/dbraw/zinc/51/09/27/1216510927.db2.gz ZQFDDRUIAUUGGT-ZGXWSNOMSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC000960355431 1216510930 /nfs/dbraw/zinc/51/09/30/1216510930.db2.gz ZQFDDRUIAUUGGT-ZGXWSNOMSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC3CCCCC3)C[C@H]21 ZINC000960355431 1216510933 /nfs/dbraw/zinc/51/09/33/1216510933.db2.gz ZQFDDRUIAUUGGT-ZGXWSNOMSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC3CCCCC3)C[C@H]21 ZINC000960355431 1216510936 /nfs/dbraw/zinc/51/09/36/1216510936.db2.gz ZQFDDRUIAUUGGT-ZGXWSNOMSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961375452 1217164133 /nfs/dbraw/zinc/16/41/33/1217164133.db2.gz VDBJITKGLHMFRG-MISYRCLQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961375452 1217164135 /nfs/dbraw/zinc/16/41/35/1217164135.db2.gz VDBJITKGLHMFRG-MISYRCLQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961375452 1217164137 /nfs/dbraw/zinc/16/41/37/1217164137.db2.gz VDBJITKGLHMFRG-MISYRCLQSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338903 1217532960 /nfs/dbraw/zinc/53/29/60/1217532960.db2.gz ZVPMPWMYMRRFRD-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338903 1217532964 /nfs/dbraw/zinc/53/29/64/1217532964.db2.gz ZVPMPWMYMRRFRD-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357229 1217551455 /nfs/dbraw/zinc/55/14/55/1217551455.db2.gz IXGVXPKEDFDCGG-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000968966949 1221705345 /nfs/dbraw/zinc/70/53/45/1221705345.db2.gz FHEAWGURJMVKPH-CABCVRRESA-N 2 1 346.500 2.185 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968990840 1221723118 /nfs/dbraw/zinc/72/31/18/1221723118.db2.gz OQQAWKXPHGCAPV-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990840 1221723123 /nfs/dbraw/zinc/72/31/23/1221723123.db2.gz OQQAWKXPHGCAPV-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990840 1221723133 /nfs/dbraw/zinc/72/31/33/1221723133.db2.gz OQQAWKXPHGCAPV-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342187 1222183041 /nfs/dbraw/zinc/18/30/41/1222183041.db2.gz FNKPLBIQFSOSII-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008505479 1222893616 /nfs/dbraw/zinc/89/36/16/1222893616.db2.gz AFXDNQNDJWAKGJ-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008505479 1222893617 /nfs/dbraw/zinc/89/36/17/1222893617.db2.gz AFXDNQNDJWAKGJ-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008505479 1222893620 /nfs/dbraw/zinc/89/36/20/1222893620.db2.gz AFXDNQNDJWAKGJ-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2CC)C1 ZINC001018985790 1228608265 /nfs/dbraw/zinc/60/82/65/1228608265.db2.gz FYAIVUXYNTZOLH-PMACEKPBSA-N 2 1 339.483 2.037 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2CC)C1 ZINC001018985790 1228608270 /nfs/dbraw/zinc/60/82/70/1228608270.db2.gz FYAIVUXYNTZOLH-PMACEKPBSA-N 2 1 339.483 2.037 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001019289836 1228953435 /nfs/dbraw/zinc/95/34/35/1228953435.db2.gz GNTINPXPEADLPA-KKUMJFAQSA-N 2 1 346.500 2.041 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001020214161 1229558248 /nfs/dbraw/zinc/55/82/48/1229558248.db2.gz KNWHXCPDDLCTIB-FHWLQOOXSA-N 2 1 340.471 2.169 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130130 1230338412 /nfs/dbraw/zinc/33/84/12/1230338412.db2.gz JCEBJRRUYOEDNX-UXHICEINSA-N 2 1 345.531 2.465 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001039134733 1230346307 /nfs/dbraw/zinc/34/63/07/1230346307.db2.gz UWUNPNWUYGFKHV-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001039134733 1230346310 /nfs/dbraw/zinc/34/63/10/1230346310.db2.gz UWUNPNWUYGFKHV-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039134733 1230346315 /nfs/dbraw/zinc/34/63/15/1230346315.db2.gz UWUNPNWUYGFKHV-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039134733 1230346317 /nfs/dbraw/zinc/34/63/17/1230346317.db2.gz UWUNPNWUYGFKHV-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC001039144839 1230363361 /nfs/dbraw/zinc/36/33/61/1230363361.db2.gz NXQBFRVAZXGBQY-QGZVFWFLSA-N 2 1 336.439 2.142 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230102 1230462741 /nfs/dbraw/zinc/46/27/41/1230462741.db2.gz PLCARGUPFSKFES-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230102 1230462743 /nfs/dbraw/zinc/46/27/43/1230462743.db2.gz PLCARGUPFSKFES-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039235856 1230468822 /nfs/dbraw/zinc/46/88/22/1230468822.db2.gz RTYNXDDEAAMTNB-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001039424472 1230601563 /nfs/dbraw/zinc/60/15/63/1230601563.db2.gz RZZZTGKIWSTKTQ-JZXOWHBKSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001039424472 1230601565 /nfs/dbraw/zinc/60/15/65/1230601565.db2.gz RZZZTGKIWSTKTQ-JZXOWHBKSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001039424293 1230601939 /nfs/dbraw/zinc/60/19/39/1230601939.db2.gz KGHBQQRMQTULRG-LMMKCTJWSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001039424293 1230601942 /nfs/dbraw/zinc/60/19/42/1230601942.db2.gz KGHBQQRMQTULRG-LMMKCTJWSA-N 2 1 342.487 2.395 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039448178 1230615917 /nfs/dbraw/zinc/61/59/17/1230615917.db2.gz ZMPYYWMGTSVYFR-CEXWTWQISA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039448178 1230615920 /nfs/dbraw/zinc/61/59/20/1230615920.db2.gz ZMPYYWMGTSVYFR-CEXWTWQISA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039448178 1230615923 /nfs/dbraw/zinc/61/59/23/1230615923.db2.gz ZMPYYWMGTSVYFR-CEXWTWQISA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039448178 1230615925 /nfs/dbraw/zinc/61/59/25/1230615925.db2.gz ZMPYYWMGTSVYFR-CEXWTWQISA-N 2 1 331.504 2.338 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040206984 1231103556 /nfs/dbraw/zinc/10/35/56/1231103556.db2.gz CCNBRGUZMRQOHS-AZUAARDMSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040349180 1231181331 /nfs/dbraw/zinc/18/13/31/1231181331.db2.gz WMUDSZGWWBRRHU-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349180 1231181333 /nfs/dbraw/zinc/18/13/33/1231181333.db2.gz WMUDSZGWWBRRHU-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349180 1231181334 /nfs/dbraw/zinc/18/13/34/1231181334.db2.gz WMUDSZGWWBRRHU-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040453013 1231242285 /nfs/dbraw/zinc/24/22/85/1231242285.db2.gz MATFTZREYXJHLX-NRFANRHFSA-N 2 1 339.483 2.310 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542711 1231283943 /nfs/dbraw/zinc/28/39/43/1231283943.db2.gz CUDZTFTVDOGUMP-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040731872 1231351489 /nfs/dbraw/zinc/35/14/89/1231351489.db2.gz CRZNCIGWUIPSFQ-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001040942001 1231407233 /nfs/dbraw/zinc/40/72/33/1231407233.db2.gz RWLJYGQFPWCZEY-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356828 1231518078 /nfs/dbraw/zinc/51/80/78/1231518078.db2.gz BMCXJQMKXFSKRU-NVXWUHKLSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001041406582 1231533301 /nfs/dbraw/zinc/53/33/01/1231533301.db2.gz CFEGEUJBURRVPC-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041406582 1231533303 /nfs/dbraw/zinc/53/33/03/1231533303.db2.gz CFEGEUJBURRVPC-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041406582 1231533307 /nfs/dbraw/zinc/53/33/07/1231533307.db2.gz CFEGEUJBURRVPC-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041406582 1231533310 /nfs/dbraw/zinc/53/33/10/1231533310.db2.gz CFEGEUJBURRVPC-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847844 1231730727 /nfs/dbraw/zinc/73/07/27/1231730727.db2.gz WDDCWGBOIIYGQH-CTNGQTDRSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847844 1231730728 /nfs/dbraw/zinc/73/07/28/1231730728.db2.gz WDDCWGBOIIYGQH-CTNGQTDRSA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297615 1232012688 /nfs/dbraw/zinc/01/26/88/1232012688.db2.gz RYVIDXCAKWJKOV-MJGOQNOKSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC=C(C)C)[C@@H]3C2)CC1 ZINC001042367571 1232049698 /nfs/dbraw/zinc/04/96/98/1232049698.db2.gz HZVUGUZRPZNQNZ-UYAOXDASSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045940944 1234198105 /nfs/dbraw/zinc/19/81/05/1234198105.db2.gz GASVRHMBYMYKSC-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045940944 1234198106 /nfs/dbraw/zinc/19/81/06/1234198106.db2.gz GASVRHMBYMYKSC-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045940944 1234198107 /nfs/dbraw/zinc/19/81/07/1234198107.db2.gz GASVRHMBYMYKSC-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001045980038 1234270629 /nfs/dbraw/zinc/27/06/29/1234270629.db2.gz PPUALSYCBSPFTG-FQEVSTJZSA-N 2 1 342.487 2.415 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045985634 1234280144 /nfs/dbraw/zinc/28/01/44/1234280144.db2.gz YRWICDGWBPETEM-FUHWJXTLSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985634 1234280147 /nfs/dbraw/zinc/28/01/47/1234280147.db2.gz YRWICDGWBPETEM-FUHWJXTLSA-N 2 1 339.911 2.395 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001046952754 1235348613 /nfs/dbraw/zinc/34/86/13/1235348613.db2.gz VKSXFJIYDSLGHW-HNNXBMFYSA-N 2 1 341.446 2.122 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047244013 1235735157 /nfs/dbraw/zinc/73/51/57/1235735157.db2.gz OWSUTQSYGPJZDH-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC)CC1 ZINC001048590645 1238043501 /nfs/dbraw/zinc/04/35/01/1238043501.db2.gz TZUHTZJWCHIUQK-GGPHIMKMSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)CC1 ZINC001000185277 1240039018 /nfs/dbraw/zinc/03/90/18/1240039018.db2.gz NSYCBHFNIDOAMO-OALUTQOASA-N 2 1 343.515 2.387 20 30 EEEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165033 1240162450 /nfs/dbraw/zinc/16/24/50/1240162450.db2.gz DWWBIARJWWPRAT-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165033 1240162455 /nfs/dbraw/zinc/16/24/55/1240162455.db2.gz DWWBIARJWWPRAT-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165033 1240162462 /nfs/dbraw/zinc/16/24/62/1240162462.db2.gz DWWBIARJWWPRAT-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049232963 1240334998 /nfs/dbraw/zinc/33/49/98/1240334998.db2.gz GMRGSMBUNCSUCM-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049232963 1240335001 /nfs/dbraw/zinc/33/50/01/1240335001.db2.gz GMRGSMBUNCSUCM-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049232963 1240335004 /nfs/dbraw/zinc/33/50/04/1240335004.db2.gz GMRGSMBUNCSUCM-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(CN(C)C)on1 ZINC001049563834 1241432149 /nfs/dbraw/zinc/43/21/49/1241432149.db2.gz HLNPIVDTORUNJK-ZWKOTPCHSA-N 2 1 346.475 2.381 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049563834 1241432155 /nfs/dbraw/zinc/43/21/55/1241432155.db2.gz HLNPIVDTORUNJK-ZWKOTPCHSA-N 2 1 346.475 2.381 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049563834 1241432159 /nfs/dbraw/zinc/43/21/59/1241432159.db2.gz HLNPIVDTORUNJK-ZWKOTPCHSA-N 2 1 346.475 2.381 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768678 1242137371 /nfs/dbraw/zinc/13/73/71/1242137371.db2.gz YMOZZFCMVYTGNK-IPMKNSEASA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049768678 1242137377 /nfs/dbraw/zinc/13/73/77/1242137377.db2.gz YMOZZFCMVYTGNK-IPMKNSEASA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049768678 1242137380 /nfs/dbraw/zinc/13/73/80/1242137380.db2.gz YMOZZFCMVYTGNK-IPMKNSEASA-N 2 1 331.504 2.338 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCC2CC2)CC1 ZINC001049922328 1242722406 /nfs/dbraw/zinc/72/24/06/1242722406.db2.gz YTHKXGSOYCPVPC-VQTJNVASSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001050121718 1242924843 /nfs/dbraw/zinc/92/48/43/1242924843.db2.gz DQWHTJWOGKVRPA-IPMKNSEASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050121718 1242924846 /nfs/dbraw/zinc/92/48/46/1242924846.db2.gz DQWHTJWOGKVRPA-IPMKNSEASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050121718 1242924854 /nfs/dbraw/zinc/92/48/54/1242924854.db2.gz DQWHTJWOGKVRPA-IPMKNSEASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)CC1 ZINC001050524582 1243779909 /nfs/dbraw/zinc/77/99/09/1243779909.db2.gz GVFUURHZIURFIU-KRWDZBQOSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001050545361 1243820052 /nfs/dbraw/zinc/82/00/52/1243820052.db2.gz BZPVHPJVZGZPQF-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP CC#CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291258 1245487159 /nfs/dbraw/zinc/48/71/59/1245487159.db2.gz MQOXTJWFOMXCNT-VQIMIIECSA-N 2 1 339.483 2.024 20 30 EEEDMP CC#CC[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cccc2C1 ZINC001051291258 1245487161 /nfs/dbraw/zinc/48/71/61/1245487161.db2.gz MQOXTJWFOMXCNT-VQIMIIECSA-N 2 1 339.483 2.024 20 30 EEEDMP CC#CC[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cccc2C1 ZINC001051291258 1245487163 /nfs/dbraw/zinc/48/71/63/1245487163.db2.gz MQOXTJWFOMXCNT-VQIMIIECSA-N 2 1 339.483 2.024 20 30 EEEDMP C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2CCC2)CC1 ZINC001052987128 1245615205 /nfs/dbraw/zinc/61/52/05/1245615205.db2.gz DZYZXXFEOAQCAB-ZYSHUDEJSA-N 2 1 344.503 2.086 20 30 EEEDMP C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC2CCC2)CC1 ZINC001052987128 1245615211 /nfs/dbraw/zinc/61/52/11/1245615211.db2.gz DZYZXXFEOAQCAB-ZYSHUDEJSA-N 2 1 344.503 2.086 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108715 1245928987 /nfs/dbraw/zinc/92/89/87/1245928987.db2.gz WDWRNCKRFJKQPZ-OALUTQOASA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001054057744 1247261770 /nfs/dbraw/zinc/26/17/70/1247261770.db2.gz CQAVCDIBDXUKIM-LJQANCHMSA-N 2 1 339.483 2.201 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001054057744 1247261777 /nfs/dbraw/zinc/26/17/77/1247261777.db2.gz CQAVCDIBDXUKIM-LJQANCHMSA-N 2 1 339.483 2.201 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054141698 1247504502 /nfs/dbraw/zinc/50/45/02/1247504502.db2.gz NRNREIGVGYMRBV-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141698 1247504506 /nfs/dbraw/zinc/50/45/06/1247504506.db2.gz NRNREIGVGYMRBV-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141698 1247504513 /nfs/dbraw/zinc/50/45/13/1247504513.db2.gz NRNREIGVGYMRBV-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144183 1247515526 /nfs/dbraw/zinc/51/55/26/1247515526.db2.gz RIOYJVGPHYJVJB-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054144183 1247515533 /nfs/dbraw/zinc/51/55/33/1247515533.db2.gz RIOYJVGPHYJVJB-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054144183 1247515539 /nfs/dbraw/zinc/51/55/39/1247515539.db2.gz RIOYJVGPHYJVJB-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054239727 1247831232 /nfs/dbraw/zinc/83/12/32/1247831232.db2.gz KQTMARIRGOTCHZ-WBVHZDCISA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054239727 1247831250 /nfs/dbraw/zinc/83/12/50/1247831250.db2.gz KQTMARIRGOTCHZ-WBVHZDCISA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054239727 1247831267 /nfs/dbraw/zinc/83/12/67/1247831267.db2.gz KQTMARIRGOTCHZ-WBVHZDCISA-N 2 1 325.884 2.005 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](C(C)C)C3)C2)CC1 ZINC001054244598 1247855865 /nfs/dbraw/zinc/85/58/65/1247855865.db2.gz HXEVYBNUOZWZLF-FQEVSTJZSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547431 1254318417 /nfs/dbraw/zinc/31/84/17/1254318417.db2.gz UMEJKTYFDLCHER-ZBFHGGJFSA-N 2 1 333.501 2.416 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547431 1254318420 /nfs/dbraw/zinc/31/84/20/1254318420.db2.gz UMEJKTYFDLCHER-ZBFHGGJFSA-N 2 1 333.501 2.416 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072728637 1255330716 /nfs/dbraw/zinc/33/07/16/1255330716.db2.gz BXRHFEZQYGPRPO-HNNXBMFYSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072728637 1255330724 /nfs/dbraw/zinc/33/07/24/1255330724.db2.gz BXRHFEZQYGPRPO-HNNXBMFYSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072728637 1255330731 /nfs/dbraw/zinc/33/07/31/1255330731.db2.gz BXRHFEZQYGPRPO-HNNXBMFYSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072728637 1255330740 /nfs/dbraw/zinc/33/07/40/1255330740.db2.gz BXRHFEZQYGPRPO-HNNXBMFYSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)CN1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001072849330 1255431144 /nfs/dbraw/zinc/43/11/44/1255431144.db2.gz ACSOZNAEIYSYJK-JKSUJKDBSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001072849330 1255431146 /nfs/dbraw/zinc/43/11/46/1255431146.db2.gz ACSOZNAEIYSYJK-JKSUJKDBSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001072849330 1255431150 /nfs/dbraw/zinc/43/11/50/1255431150.db2.gz ACSOZNAEIYSYJK-JKSUJKDBSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC001072849330 1255431151 /nfs/dbraw/zinc/43/11/51/1255431151.db2.gz ACSOZNAEIYSYJK-JKSUJKDBSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001072849330 1255431152 /nfs/dbraw/zinc/43/11/52/1255431152.db2.gz ACSOZNAEIYSYJK-JKSUJKDBSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001098993694 1257922023 /nfs/dbraw/zinc/92/20/23/1257922023.db2.gz LJHQZCTVAHZCNQ-NSHGMRRFSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001098993694 1257922028 /nfs/dbraw/zinc/92/20/28/1257922028.db2.gz LJHQZCTVAHZCNQ-NSHGMRRFSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001098993694 1257922030 /nfs/dbraw/zinc/92/20/30/1257922030.db2.gz LJHQZCTVAHZCNQ-NSHGMRRFSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001098993694 1257922036 /nfs/dbraw/zinc/92/20/36/1257922036.db2.gz LJHQZCTVAHZCNQ-NSHGMRRFSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190248020 1280758549 /nfs/dbraw/zinc/75/85/49/1280758549.db2.gz WORKYEIETZKQCC-SJORKVTESA-N 2 1 348.491 2.132 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190248020 1280758553 /nfs/dbraw/zinc/75/85/53/1280758553.db2.gz WORKYEIETZKQCC-SJORKVTESA-N 2 1 348.491 2.132 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001192037116 1281773525 /nfs/dbraw/zinc/77/35/25/1281773525.db2.gz DYLBANPXLMXKJP-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194153578 1282915438 /nfs/dbraw/zinc/91/54/38/1282915438.db2.gz FTWFPQHQLSKQRW-ZWKOTPCHSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194153578 1282915444 /nfs/dbraw/zinc/91/54/44/1282915444.db2.gz FTWFPQHQLSKQRW-ZWKOTPCHSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194153578 1282915450 /nfs/dbraw/zinc/91/54/50/1282915450.db2.gz FTWFPQHQLSKQRW-ZWKOTPCHSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001194153578 1282915453 /nfs/dbraw/zinc/91/54/53/1282915453.db2.gz FTWFPQHQLSKQRW-ZWKOTPCHSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001194153578 1282915457 /nfs/dbraw/zinc/91/54/57/1282915457.db2.gz FTWFPQHQLSKQRW-ZWKOTPCHSA-N 2 1 339.524 2.210 20 30 EEEDMP C#Cc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)cc1 ZINC001273674112 1282955354 /nfs/dbraw/zinc/95/53/54/1282955354.db2.gz KKWCLKOCCLVDNX-NRFANRHFSA-N 2 1 339.483 2.187 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001201320988 1289476569 /nfs/dbraw/zinc/47/65/69/1289476569.db2.gz DORJTZUJQKWLIV-UHFFFAOYSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410611 1296895728 /nfs/dbraw/zinc/89/57/28/1296895728.db2.gz YEUPNRPNKXGDKW-UWWQBHOKSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345415 1298370962 /nfs/dbraw/zinc/37/09/62/1298370962.db2.gz VTFRBOHSPUGOCT-KURKYZTESA-N 2 1 339.524 2.015 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001220868286 1298565160 /nfs/dbraw/zinc/56/51/60/1298565160.db2.gz GABOWZOMBMQLEH-QYZOEREBSA-N 2 1 327.472 2.289 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C[C@@H](C)O2 ZINC001098589736 1298639638 /nfs/dbraw/zinc/63/96/38/1298639638.db2.gz LHSQGXXKTXEBDR-MSOLQXFVSA-N 2 1 349.519 2.127 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710894 1299003631 /nfs/dbraw/zinc/00/36/31/1299003631.db2.gz NVPUOTOZJRLVPI-QRVBRYPASA-N 2 1 331.504 2.360 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1ccnc1 ZINC001099358609 1299090041 /nfs/dbraw/zinc/09/00/41/1299090041.db2.gz IZBVFVCQOZYVMH-KRWDZBQOSA-N 2 1 330.476 2.293 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099547246 1299208267 /nfs/dbraw/zinc/20/82/67/1299208267.db2.gz BMGGVMHOOVIPLB-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547246 1299208280 /nfs/dbraw/zinc/20/82/80/1299208280.db2.gz BMGGVMHOOVIPLB-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547246 1299208291 /nfs/dbraw/zinc/20/82/91/1299208291.db2.gz BMGGVMHOOVIPLB-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290798 1300750550 /nfs/dbraw/zinc/75/05/50/1300750550.db2.gz VSYMQXIQNOYTFM-UYAOXDASSA-N 2 1 341.499 2.064 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359170 1302808338 /nfs/dbraw/zinc/80/83/38/1302808338.db2.gz MYNGNJVRJPYMAQ-QRVBRYPASA-N 2 1 333.520 2.206 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359170 1302808358 /nfs/dbraw/zinc/80/83/58/1302808358.db2.gz MYNGNJVRJPYMAQ-QRVBRYPASA-N 2 1 333.520 2.206 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359170 1302808370 /nfs/dbraw/zinc/80/83/70/1302808370.db2.gz MYNGNJVRJPYMAQ-QRVBRYPASA-N 2 1 333.520 2.206 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396846 1302905465 /nfs/dbraw/zinc/90/54/65/1302905465.db2.gz MRUOQVBOBPTFET-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001229678351 1302913110 /nfs/dbraw/zinc/91/31/10/1302913110.db2.gz BJNSLFPTQUJRED-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230016529 1303019981 /nfs/dbraw/zinc/01/99/81/1303019981.db2.gz PMIHAVFPLCBCKW-LJQANCHMSA-N 2 1 327.472 2.283 20 30 EEEDMP C=CC[NH+](CCCNC(=O)C(C)(C)[N@H+](C)CC)Cc1cccnc1 ZINC001230790380 1303460086 /nfs/dbraw/zinc/46/00/86/1303460086.db2.gz WBFORJMGEZUFED-UHFFFAOYSA-N 2 1 332.492 2.306 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)C(C)(C)[NH+](C)CC)Cc1cccnc1 ZINC001230790380 1303460087 /nfs/dbraw/zinc/46/00/87/1303460087.db2.gz WBFORJMGEZUFED-UHFFFAOYSA-N 2 1 332.492 2.306 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)C(C)(C)[NH+](C)CC)Cc1cccnc1 ZINC001230790380 1303460088 /nfs/dbraw/zinc/46/00/88/1303460088.db2.gz WBFORJMGEZUFED-UHFFFAOYSA-N 2 1 332.492 2.306 20 30 EEEDMP CCC(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277852436 1304906209 /nfs/dbraw/zinc/90/62/09/1304906209.db2.gz VKRMZFDITQNHCY-CALCHBBNSA-N 2 1 328.460 2.020 20 30 EEEDMP CCC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277852436 1304906211 /nfs/dbraw/zinc/90/62/11/1304906211.db2.gz VKRMZFDITQNHCY-CALCHBBNSA-N 2 1 328.460 2.020 20 30 EEEDMP CCC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277852436 1304906212 /nfs/dbraw/zinc/90/62/12/1304906212.db2.gz VKRMZFDITQNHCY-CALCHBBNSA-N 2 1 328.460 2.020 20 30 EEEDMP C=CCOCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001235632060 1305305518 /nfs/dbraw/zinc/30/55/18/1305305518.db2.gz DYCKGGHHFQNMJD-ZWKOTPCHSA-N 2 1 348.491 2.206 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCn2ccnc2)C1 ZINC001120458620 1309554999 /nfs/dbraw/zinc/55/49/99/1309554999.db2.gz HVMSAVQNLWHVGO-MOPGFXCFSA-N 2 1 342.487 2.390 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001121847896 1310154292 /nfs/dbraw/zinc/15/42/92/1310154292.db2.gz HZSQEUWVROWCRY-UHFFFAOYSA-N 2 1 328.460 2.047 20 30 EEEDMP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153309622 1316808486 /nfs/dbraw/zinc/80/84/86/1316808486.db2.gz PKVLLDOMHBLECE-UHFFFAOYSA-N 2 1 346.450 2.169 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819267 1316891854 /nfs/dbraw/zinc/89/18/54/1316891854.db2.gz UYUJCSWBBKHDKV-MSOLQXFVSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001153819267 1316891855 /nfs/dbraw/zinc/89/18/55/1316891855.db2.gz UYUJCSWBBKHDKV-MSOLQXFVSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001153819267 1316891858 /nfs/dbraw/zinc/89/18/58/1316891858.db2.gz UYUJCSWBBKHDKV-MSOLQXFVSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCOC[C@H](O)C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001252471064 1317610359 /nfs/dbraw/zinc/61/03/59/1317610359.db2.gz SXZPNTDEXKECKZ-SRHPJPHMSA-N 2 1 346.515 2.445 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001252471064 1317610365 /nfs/dbraw/zinc/61/03/65/1317610365.db2.gz SXZPNTDEXKECKZ-SRHPJPHMSA-N 2 1 346.515 2.445 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001252471064 1317610367 /nfs/dbraw/zinc/61/03/67/1317610367.db2.gz SXZPNTDEXKECKZ-SRHPJPHMSA-N 2 1 346.515 2.445 20 30 EEEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001252471965 1317610502 /nfs/dbraw/zinc/61/05/02/1317610502.db2.gz LFIBXELGMXZCOY-QHAWAJNXSA-N 2 1 344.499 2.394 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001252471965 1317610508 /nfs/dbraw/zinc/61/05/08/1317610508.db2.gz LFIBXELGMXZCOY-QHAWAJNXSA-N 2 1 344.499 2.394 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001252471965 1317610514 /nfs/dbraw/zinc/61/05/14/1317610514.db2.gz LFIBXELGMXZCOY-QHAWAJNXSA-N 2 1 344.499 2.394 20 30 EEEDMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+]C2CCC(C#N)CC2)CC1 ZINC001256956603 1318904404 /nfs/dbraw/zinc/90/44/04/1318904404.db2.gz WWLNQGLBZWMAQK-UHFFFAOYSA-N 2 1 336.480 2.387 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1ccnc1C ZINC001158597737 1319326657 /nfs/dbraw/zinc/32/66/57/1319326657.db2.gz IMLUHFBFMVAJKV-GOSISDBHSA-N 2 1 330.476 2.308 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158597737 1319326666 /nfs/dbraw/zinc/32/66/66/1319326666.db2.gz IMLUHFBFMVAJKV-GOSISDBHSA-N 2 1 330.476 2.308 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158597737 1319326677 /nfs/dbraw/zinc/32/66/77/1319326677.db2.gz IMLUHFBFMVAJKV-GOSISDBHSA-N 2 1 330.476 2.308 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001258731503 1319330898 /nfs/dbraw/zinc/33/08/98/1319330898.db2.gz YUJFSUWSLCUYNP-MRXNPFEDSA-N 2 1 330.476 2.400 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131477 1320079408 /nfs/dbraw/zinc/07/94/08/1320079408.db2.gz NGNOQMBOYRQIAT-OALUTQOASA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131477 1320079411 /nfs/dbraw/zinc/07/94/11/1320079411.db2.gz NGNOQMBOYRQIAT-OALUTQOASA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131477 1320079413 /nfs/dbraw/zinc/07/94/13/1320079413.db2.gz NGNOQMBOYRQIAT-OALUTQOASA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161445437 1320503987 /nfs/dbraw/zinc/50/39/87/1320503987.db2.gz RTZYVDGZPSTITG-RTBURBONSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161445437 1320503992 /nfs/dbraw/zinc/50/39/92/1320503992.db2.gz RTZYVDGZPSTITG-RTBURBONSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161445437 1320503996 /nfs/dbraw/zinc/50/39/96/1320503996.db2.gz RTZYVDGZPSTITG-RTBURBONSA-N 2 1 329.488 2.165 20 30 EEEDMP C=C(Cl)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001162746966 1320948518 /nfs/dbraw/zinc/94/85/18/1320948518.db2.gz KMZYUJQWRVFMCM-GOSISDBHSA-N 2 1 349.906 2.494 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001165545199 1321543302 /nfs/dbraw/zinc/54/33/02/1321543302.db2.gz FPYXQYTTZPDKNN-SFHVURJKSA-N 2 1 333.520 2.396 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001165545199 1321543307 /nfs/dbraw/zinc/54/33/07/1321543307.db2.gz FPYXQYTTZPDKNN-SFHVURJKSA-N 2 1 333.520 2.396 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC(C)C)CC1 ZINC001205479712 1323155328 /nfs/dbraw/zinc/15/53/28/1323155328.db2.gz ULRKFWMRJMYSNF-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC(C)C)CC1 ZINC001205479712 1323155335 /nfs/dbraw/zinc/15/53/35/1323155335.db2.gz ULRKFWMRJMYSNF-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205686139 1323244711 /nfs/dbraw/zinc/24/47/11/1323244711.db2.gz VGTYUUNBVMPKOJ-PKOBYXMFSA-N 2 1 345.462 2.073 20 30 EEEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)CC1 ZINC001207436999 1323972375 /nfs/dbraw/zinc/97/23/75/1323972375.db2.gz ZHTFRUMSCFAHMP-UHFFFAOYSA-N 2 1 335.492 2.487 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001282410858 1325713648 /nfs/dbraw/zinc/71/36/48/1325713648.db2.gz FWNFIPNAUSKZNR-CRAIPNDOSA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001282410858 1325713651 /nfs/dbraw/zinc/71/36/51/1325713651.db2.gz FWNFIPNAUSKZNR-CRAIPNDOSA-N 2 1 349.906 2.468 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200478393 1338356215 /nfs/dbraw/zinc/35/62/15/1338356215.db2.gz ISOCUHFLPGUIAS-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1F ZINC001647585398 1353336348 /nfs/dbraw/zinc/33/63/48/1353336348.db2.gz KGIMVCKPOHGKDE-INIZCTEOSA-N 2 1 346.450 2.185 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001186609263 1368205112 /nfs/dbraw/zinc/20/51/12/1368205112.db2.gz QPFNSXCLFJBSCA-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCCC)C2)CC1 ZINC001490459203 1369215805 /nfs/dbraw/zinc/21/58/05/1369215805.db2.gz YUHCIKALOKVQTN-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001371365746 1375413763 /nfs/dbraw/zinc/41/37/63/1375413763.db2.gz FHWRLZWSEUODKS-HNNXBMFYSA-N 2 1 339.443 2.173 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC001374556577 1376934754 /nfs/dbraw/zinc/93/47/54/1376934754.db2.gz FCDVLABQZUVRNQ-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001374556577 1376934757 /nfs/dbraw/zinc/93/47/57/1376934757.db2.gz FCDVLABQZUVRNQ-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001375092190 1377361308 /nfs/dbraw/zinc/36/13/08/1377361308.db2.gz AZWFWDXXIMKLOV-CRAIPNDOSA-N 2 1 330.476 2.081 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001375092190 1377361311 /nfs/dbraw/zinc/36/13/11/1377361311.db2.gz AZWFWDXXIMKLOV-CRAIPNDOSA-N 2 1 330.476 2.081 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001378711513 1380162589 /nfs/dbraw/zinc/16/25/89/1380162589.db2.gz ACMHSTDRZBBGNF-UHFFFAOYSA-N 2 1 348.516 2.480 20 30 EEEDMP C#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752836909 1406467293 /nfs/dbraw/zinc/46/72/93/1406467293.db2.gz PYVGBZMPXILRLS-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752836909 1406467299 /nfs/dbraw/zinc/46/72/99/1406467299.db2.gz PYVGBZMPXILRLS-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752836909 1406467307 /nfs/dbraw/zinc/46/73/07/1406467307.db2.gz PYVGBZMPXILRLS-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CN(CC[N@H+](C)Cc1ccc(C#N)s1)C(=O)CCC[NH+]1CCCC1 ZINC001401435583 1397303334 /nfs/dbraw/zinc/30/33/34/1397303334.db2.gz GPCDXULCMMYJKB-UHFFFAOYSA-N 2 1 348.516 2.386 20 30 EEEDMP CN(CC[N@@H+](C)Cc1ccc(C#N)s1)C(=O)CCC[NH+]1CCCC1 ZINC001401435583 1397303356 /nfs/dbraw/zinc/30/33/56/1397303356.db2.gz GPCDXULCMMYJKB-UHFFFAOYSA-N 2 1 348.516 2.386 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC001755002654 1407022287 /nfs/dbraw/zinc/02/22/87/1407022287.db2.gz WCZNCIRMSYFBJF-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)Cc1cccc(C#N)c1 ZINC001422565322 1400024891 /nfs/dbraw/zinc/02/48/91/1400024891.db2.gz SDQSHZIOHZFEOD-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001422565322 1400024897 /nfs/dbraw/zinc/02/48/97/1400024897.db2.gz SDQSHZIOHZFEOD-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001422565322 1400024908 /nfs/dbraw/zinc/02/49/08/1400024908.db2.gz SDQSHZIOHZFEOD-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001755705452 1407757589 /nfs/dbraw/zinc/75/75/89/1407757589.db2.gz YXEJGFVGALVGEX-ICSRJNTNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001755721506 1407781230 /nfs/dbraw/zinc/78/12/30/1407781230.db2.gz BOGCSZSAFOEIEX-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001100513875 1410661668 /nfs/dbraw/zinc/66/16/68/1410661668.db2.gz RQFSSADSNAWEJP-UHFFFAOYSA-N 2 1 330.476 2.213 20 30 EEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530100 782631001 /nfs/dbraw/zinc/63/10/01/782631001.db2.gz PESQVZNZHMTDJU-APWZRJJASA-N 2 1 329.488 2.417 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=C)C)CC(C)(C)C1 ZINC001089408960 768833193 /nfs/dbraw/zinc/83/31/93/768833193.db2.gz JJSLFEAIRLDKMK-ROUUACIJSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=C)C)CC(C)(C)C1 ZINC001089408960 768833204 /nfs/dbraw/zinc/83/32/04/768833204.db2.gz JJSLFEAIRLDKMK-ROUUACIJSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=C)C)CC(C)(C)C1 ZINC001089408960 768833209 /nfs/dbraw/zinc/83/32/09/768833209.db2.gz JJSLFEAIRLDKMK-ROUUACIJSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=C)C)CC(C)(C)C1 ZINC001089408960 768833219 /nfs/dbraw/zinc/83/32/19/768833219.db2.gz JJSLFEAIRLDKMK-ROUUACIJSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001026494410 769340117 /nfs/dbraw/zinc/34/01/17/769340117.db2.gz NKYPIOKEUHDMMT-WWDZGPRUSA-N 2 1 331.504 2.291 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150672 782985963 /nfs/dbraw/zinc/98/59/63/782985963.db2.gz PZLAPRVPDFDHNC-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212652 783065091 /nfs/dbraw/zinc/06/50/91/783065091.db2.gz GCYNCNCVJMTJCY-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980165983 773991708 /nfs/dbraw/zinc/99/17/08/773991708.db2.gz VTDJZLQNZQIPSA-USXIJHARSA-N 2 1 331.460 2.358 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001027930055 774555497 /nfs/dbraw/zinc/55/54/97/774555497.db2.gz MAEDYMQAZBANPM-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027930055 774555501 /nfs/dbraw/zinc/55/55/01/774555501.db2.gz MAEDYMQAZBANPM-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001027930055 774555505 /nfs/dbraw/zinc/55/55/05/774555505.db2.gz MAEDYMQAZBANPM-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732203 774794661 /nfs/dbraw/zinc/79/46/61/774794661.db2.gz OZEJZQWOFVKFTG-HUUCEWRRSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089732203 774794664 /nfs/dbraw/zinc/79/46/64/774794664.db2.gz OZEJZQWOFVKFTG-HUUCEWRRSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089732203 774794670 /nfs/dbraw/zinc/79/46/70/774794670.db2.gz OZEJZQWOFVKFTG-HUUCEWRRSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089732203 774794673 /nfs/dbraw/zinc/79/46/73/774794673.db2.gz OZEJZQWOFVKFTG-HUUCEWRRSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CC(=C)Cl)C3)CC1 ZINC000982162253 779180943 /nfs/dbraw/zinc/18/09/43/779180943.db2.gz LLSWLLJLVLICLG-UHFFFAOYSA-N 2 1 349.906 2.009 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CC(=C)Cl)C3)CC1 ZINC000982162253 779180950 /nfs/dbraw/zinc/18/09/50/779180950.db2.gz LLSWLLJLVLICLG-UHFFFAOYSA-N 2 1 349.906 2.009 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099519754 780256818 /nfs/dbraw/zinc/25/68/18/780256818.db2.gz KCNMXBVBAZRYIS-QAETUUGQSA-N 2 1 339.911 2.250 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCC2)CC1 ZINC001028332996 780771744 /nfs/dbraw/zinc/77/17/44/780771744.db2.gz AXBXSZIGJIVOMX-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001028334182 780786735 /nfs/dbraw/zinc/78/67/35/780786735.db2.gz WGCGWBUOEDKYPX-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481758 783837845 /nfs/dbraw/zinc/83/78/45/783837845.db2.gz WVKCIRVVTAOZNN-ZWKOTPCHSA-N 2 1 329.488 2.057 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001108164036 783866391 /nfs/dbraw/zinc/86/63/91/783866391.db2.gz SMJZWCDPRLFREH-LJQANCHMSA-N 2 1 349.475 2.128 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945332287 783929655 /nfs/dbraw/zinc/92/96/55/783929655.db2.gz BXVWWJDJCCYFHU-WBVHZDCISA-N 2 1 331.460 2.195 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035185675 784024144 /nfs/dbraw/zinc/02/41/44/784024144.db2.gz ZBBFKMNSGOGIJE-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185675 784024150 /nfs/dbraw/zinc/02/41/50/784024150.db2.gz ZBBFKMNSGOGIJE-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185675 784024158 /nfs/dbraw/zinc/02/41/58/784024158.db2.gz ZBBFKMNSGOGIJE-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CC2 ZINC001035225854 784110255 /nfs/dbraw/zinc/11/02/55/784110255.db2.gz BIGGFSXGMGVGLC-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CC2 ZINC001035225854 784110261 /nfs/dbraw/zinc/11/02/61/784110261.db2.gz BIGGFSXGMGVGLC-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@H+](CCCC)C3)CC2)CC1 ZINC001035256178 784204799 /nfs/dbraw/zinc/20/47/99/784204799.db2.gz FYVJWUGYGGIYLL-UHFFFAOYSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC000819023287 785387562 /nfs/dbraw/zinc/38/75/62/785387562.db2.gz CZEQOWKBGPKNHV-GOSISDBHSA-N 2 1 334.460 2.367 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000996686343 787126605 /nfs/dbraw/zinc/12/66/05/787126605.db2.gz SNJUMKZTIXECFR-IBGZPJMESA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000996686343 787126608 /nfs/dbraw/zinc/12/66/08/787126608.db2.gz SNJUMKZTIXECFR-IBGZPJMESA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)CC[C@@H]2C1 ZINC000946856155 788794574 /nfs/dbraw/zinc/79/45/74/788794574.db2.gz CNMGBRRDRPGZSG-HSALFYBXSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946856155 788794580 /nfs/dbraw/zinc/79/45/80/788794580.db2.gz CNMGBRRDRPGZSG-HSALFYBXSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946856155 788794587 /nfs/dbraw/zinc/79/45/87/788794587.db2.gz CNMGBRRDRPGZSG-HSALFYBXSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946902413 789554252 /nfs/dbraw/zinc/55/42/52/789554252.db2.gz OLHRSTDAOVENAV-KDURUIRLSA-N 2 1 331.504 2.056 20 30 EEEDMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001147450103 791841476 /nfs/dbraw/zinc/84/14/76/791841476.db2.gz ZDGODEUCRLEJSE-NRFANRHFSA-N 2 1 349.478 2.437 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998189162 792173178 /nfs/dbraw/zinc/17/31/78/792173178.db2.gz LXOKDTHPDCADMO-JKSUJKDBSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998189162 792173179 /nfs/dbraw/zinc/17/31/79/792173179.db2.gz LXOKDTHPDCADMO-JKSUJKDBSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998189162 792173183 /nfs/dbraw/zinc/17/31/83/792173183.db2.gz LXOKDTHPDCADMO-JKSUJKDBSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001107981784 792351176 /nfs/dbraw/zinc/35/11/76/792351176.db2.gz GHAKKDQDXFMWKI-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC000998271695 792416216 /nfs/dbraw/zinc/41/62/16/792416216.db2.gz YGXTXWKXEVMQSY-UONOGXRCSA-N 2 1 333.398 2.026 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924461 792996565 /nfs/dbraw/zinc/99/65/65/792996565.db2.gz SYIHQUVJHHVESQ-KZNAEPCWSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3cnn(-c4ccncc4)c3)CCC[C@H]12 ZINC000992353146 793776431 /nfs/dbraw/zinc/77/64/31/793776431.db2.gz RHHDJNFWBIDGHN-AZUAARDMSA-N 2 1 349.438 2.017 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@H]12 ZINC000992353146 793776445 /nfs/dbraw/zinc/77/64/45/793776445.db2.gz RHHDJNFWBIDGHN-AZUAARDMSA-N 2 1 349.438 2.017 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212411537 793858966 /nfs/dbraw/zinc/85/89/66/793858966.db2.gz ATLDYPXAIBYHAT-KZNAEPCWSA-N 2 1 339.524 2.112 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753460 794302021 /nfs/dbraw/zinc/30/20/21/794302021.db2.gz KCZVZBPGCWGBDO-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753460 794302028 /nfs/dbraw/zinc/30/20/28/794302028.db2.gz KCZVZBPGCWGBDO-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1F ZINC001079311139 794600317 /nfs/dbraw/zinc/60/03/17/794600317.db2.gz QUSSNVQQAWHYRI-HHXXYDBFSA-N 2 1 345.462 2.238 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717581 794611598 /nfs/dbraw/zinc/61/15/98/794611598.db2.gz YBTKKWJKGUKPSB-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106244546 795280725 /nfs/dbraw/zinc/28/07/25/795280725.db2.gz PCZMHGQZXYYJII-DJIMGWMZSA-N 2 1 341.927 2.401 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334146 795744719 /nfs/dbraw/zinc/74/47/19/795744719.db2.gz DSXXMDATJPIKTG-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334146 795744723 /nfs/dbraw/zinc/74/47/23/795744723.db2.gz DSXXMDATJPIKTG-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334146 795744727 /nfs/dbraw/zinc/74/47/27/795744727.db2.gz DSXXMDATJPIKTG-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC001094453727 796262426 /nfs/dbraw/zinc/26/24/26/796262426.db2.gz AOQAPDJARZIRDN-IEBWSBKVSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC001094453727 796262428 /nfs/dbraw/zinc/26/24/28/796262428.db2.gz AOQAPDJARZIRDN-IEBWSBKVSA-N 2 1 346.475 2.287 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094497085 796289113 /nfs/dbraw/zinc/28/91/13/796289113.db2.gz NYUAIOVCUURPKA-QKNQBKEWSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497085 796289114 /nfs/dbraw/zinc/28/91/14/796289114.db2.gz NYUAIOVCUURPKA-QKNQBKEWSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497085 796289119 /nfs/dbraw/zinc/28/91/19/796289119.db2.gz NYUAIOVCUURPKA-QKNQBKEWSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902957 796441650 /nfs/dbraw/zinc/44/16/50/796441650.db2.gz SOVLDZGIEANUED-RBUKOAKNSA-N 2 1 327.472 2.471 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171873937 796761634 /nfs/dbraw/zinc/76/16/34/796761634.db2.gz VUCXGXCQFRBOKI-FFEBTUMSSA-N 2 1 349.519 2.080 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040543149 798004685 /nfs/dbraw/zinc/00/46/85/798004685.db2.gz HNGGYLSEWAQOQL-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188928 798204451 /nfs/dbraw/zinc/20/44/51/798204451.db2.gz WNVMQZJTMKOEDK-QYZOEREBSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018486 798613171 /nfs/dbraw/zinc/61/31/71/798613171.db2.gz BGKQKEBDDSVGSM-LMMKCTJWSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018486 798613172 /nfs/dbraw/zinc/61/31/72/798613172.db2.gz BGKQKEBDDSVGSM-LMMKCTJWSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085075248 798653898 /nfs/dbraw/zinc/65/38/98/798653898.db2.gz WQYUCTRPHSPTEW-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085075248 798653900 /nfs/dbraw/zinc/65/39/00/798653900.db2.gz WQYUCTRPHSPTEW-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075248 798653902 /nfs/dbraw/zinc/65/39/02/798653902.db2.gz WQYUCTRPHSPTEW-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075248 798653903 /nfs/dbraw/zinc/65/39/03/798653903.db2.gz WQYUCTRPHSPTEW-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101319 798675231 /nfs/dbraw/zinc/67/52/31/798675231.db2.gz DRVFHROYZDISNF-AABGKKOBSA-N 2 1 345.531 2.443 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085152672 798727194 /nfs/dbraw/zinc/72/71/94/798727194.db2.gz NAXUMYWFSSVQPM-GUDVDZBRSA-N 2 1 340.471 2.169 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC=C)CC1CCCC1 ZINC001177342488 798876861 /nfs/dbraw/zinc/87/68/61/798876861.db2.gz OLPQEANZJQYPTN-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC=C)CC1CCCC1 ZINC001177342488 798876867 /nfs/dbraw/zinc/87/68/67/798876867.db2.gz OLPQEANZJQYPTN-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001177489304 798979487 /nfs/dbraw/zinc/97/94/87/798979487.db2.gz ZJAZTTDQNZZNDY-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001179554285 799989670 /nfs/dbraw/zinc/98/96/70/799989670.db2.gz ZCUJZVCCIJIJMG-HKUYNNGSSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)CC[NH+]1CCOCC1 ZINC001179832367 800120844 /nfs/dbraw/zinc/12/08/44/800120844.db2.gz ZHHVKSUPFHKSHR-GOSISDBHSA-N 2 1 339.524 2.330 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001179982627 800197948 /nfs/dbraw/zinc/19/79/48/800197948.db2.gz BWQKHOWTXIPZFO-KSSFIOAISA-N 2 1 346.450 2.118 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCC)CC1 ZINC001004460254 802127894 /nfs/dbraw/zinc/12/78/94/802127894.db2.gz YOBSRIJSFSYKMH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCC)CC1 ZINC001004460254 802127900 /nfs/dbraw/zinc/12/79/00/802127900.db2.gz YOBSRIJSFSYKMH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCC)CC1 ZINC001004460254 802127905 /nfs/dbraw/zinc/12/79/05/802127905.db2.gz YOBSRIJSFSYKMH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCC)CC1 ZINC001004460254 802127913 /nfs/dbraw/zinc/12/79/13/802127913.db2.gz YOBSRIJSFSYKMH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCC)CC1 ZINC001004460254 802127917 /nfs/dbraw/zinc/12/79/17/802127917.db2.gz YOBSRIJSFSYKMH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001108279921 803064881 /nfs/dbraw/zinc/06/48/81/803064881.db2.gz KFOMEWLICAWAFN-FQEVSTJZSA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001108279921 803064884 /nfs/dbraw/zinc/06/48/84/803064884.db2.gz KFOMEWLICAWAFN-FQEVSTJZSA-N 2 1 345.487 2.145 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108395137 803445845 /nfs/dbraw/zinc/44/58/45/803445845.db2.gz OVMFSMFRNSTOMU-HKUYNNGSSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108395137 803445849 /nfs/dbraw/zinc/44/58/49/803445849.db2.gz OVMFSMFRNSTOMU-HKUYNNGSSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001108395137 803445852 /nfs/dbraw/zinc/44/58/52/803445852.db2.gz OVMFSMFRNSTOMU-HKUYNNGSSA-N 2 1 339.524 2.116 20 30 EEEDMP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809511 804085475 /nfs/dbraw/zinc/08/54/75/804085475.db2.gz IESOJBIYLLPPSW-ICSRJNTNSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109447144 805480691 /nfs/dbraw/zinc/48/06/91/805480691.db2.gz CEXBBYRDFXPBEJ-SQNIBIBYSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001113348670 808789828 /nfs/dbraw/zinc/78/98/28/808789828.db2.gz YOFQTSQTGHGQQY-DOTOQJQBSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086599577 809273661 /nfs/dbraw/zinc/27/36/61/809273661.db2.gz XIIBZGXYPJSXKL-VQTJNVASSA-N 2 1 344.418 2.165 20 30 EEEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086599577 809273665 /nfs/dbraw/zinc/27/36/65/809273665.db2.gz XIIBZGXYPJSXKL-VQTJNVASSA-N 2 1 344.418 2.165 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc2ccccc21 ZINC001129770546 810994746 /nfs/dbraw/zinc/99/47/46/810994746.db2.gz ICBSKISTOAJYKZ-FQEVSTJZSA-N 2 1 335.451 2.143 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc2ccccc21 ZINC001129770546 810994750 /nfs/dbraw/zinc/99/47/50/810994750.db2.gz ICBSKISTOAJYKZ-FQEVSTJZSA-N 2 1 335.451 2.143 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC001436996750 1088737655 /nfs/dbraw/zinc/73/76/55/1088737655.db2.gz KSXCYONLOPMIFJ-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001436996750 1088737669 /nfs/dbraw/zinc/73/76/69/1088737669.db2.gz KSXCYONLOPMIFJ-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001436996750 1088737679 /nfs/dbraw/zinc/73/76/79/1088737679.db2.gz KSXCYONLOPMIFJ-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001496371130 1100964705 /nfs/dbraw/zinc/96/47/05/1100964705.db2.gz YINGSIWYEFOFRL-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@H+](C)CC ZINC001496906511 1101700362 /nfs/dbraw/zinc/70/03/62/1101700362.db2.gz CWNQERMQUMQAFI-KGLIPLIRSA-N 2 1 346.313 2.111 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001448095008 1103991067 /nfs/dbraw/zinc/99/10/67/1103991067.db2.gz KXIKEFPWKSCEAN-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001448095008 1103991072 /nfs/dbraw/zinc/99/10/72/1103991072.db2.gz KXIKEFPWKSCEAN-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001448095008 1103991076 /nfs/dbraw/zinc/99/10/76/1103991076.db2.gz KXIKEFPWKSCEAN-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cc(C#N)ccc1OC ZINC000344177873 161205243 /nfs/dbraw/zinc/20/52/43/161205243.db2.gz SRGDNYRIWAEKOA-UHFFFAOYSA-N 2 1 344.503 2.416 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1CC ZINC001087653484 782021890 /nfs/dbraw/zinc/02/18/90/782021890.db2.gz ZWSNPERLLVMCLZ-DOTOQJQBSA-N 2 1 325.416 2.036 20 30 EEEDMP N#Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000266150822 274106524 /nfs/dbraw/zinc/10/65/24/274106524.db2.gz KMAMFRBNRNEVHN-QFBILLFUSA-N 2 1 325.412 2.124 20 30 EEEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000339062328 465059901 /nfs/dbraw/zinc/05/99/01/465059901.db2.gz BCJGAIXAOMUJBC-XMTFNYHQSA-N 2 1 335.492 2.269 20 30 EEEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000339062328 465059907 /nfs/dbraw/zinc/05/99/07/465059907.db2.gz BCJGAIXAOMUJBC-XMTFNYHQSA-N 2 1 335.492 2.269 20 30 EEEDMP COCC[N@@H+](C)CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160673082 463361036 /nfs/dbraw/zinc/36/10/36/463361036.db2.gz PBEGSGPQNLCEBE-UHFFFAOYSA-N 2 1 348.369 2.280 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000108555457 463615466 /nfs/dbraw/zinc/61/54/66/463615466.db2.gz YYCBZGJMHCQJJL-QZTJIDSGSA-N 2 1 336.524 2.326 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000108555454 463616113 /nfs/dbraw/zinc/61/61/13/463616113.db2.gz YYCBZGJMHCQJJL-ROUUACIJSA-N 2 1 336.524 2.326 20 30 EEEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185689689 463862697 /nfs/dbraw/zinc/86/26/97/463862697.db2.gz VPLQOTCIHHJMGL-FCEWJHQRSA-N 2 1 334.508 2.283 20 30 EEEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185689689 463862699 /nfs/dbraw/zinc/86/26/99/463862699.db2.gz VPLQOTCIHHJMGL-FCEWJHQRSA-N 2 1 334.508 2.283 20 30 EEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000262178177 463965980 /nfs/dbraw/zinc/96/59/80/463965980.db2.gz WJEYIJHRPWTRND-INIZCTEOSA-N 2 1 335.879 2.384 20 30 EEEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000264119755 464285597 /nfs/dbraw/zinc/28/55/97/464285597.db2.gz UPVZAEBRXFXCTH-HNNXBMFYSA-N 2 1 331.508 2.304 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000294973089 464667633 /nfs/dbraw/zinc/66/76/33/464667633.db2.gz KBSVTMDRAWIFLK-GOSISDBHSA-N 2 1 345.487 2.149 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000294973089 464667638 /nfs/dbraw/zinc/66/76/38/464667638.db2.gz KBSVTMDRAWIFLK-GOSISDBHSA-N 2 1 345.487 2.149 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2ccc(F)cc12 ZINC000267476427 464934803 /nfs/dbraw/zinc/93/48/03/464934803.db2.gz ZJDLKTHANLVLPN-HNNXBMFYSA-N 2 1 331.439 2.238 20 30 EEEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2 ZINC000329560366 465372024 /nfs/dbraw/zinc/37/20/24/465372024.db2.gz IROWIBZDIOHQFR-MRXNPFEDSA-N 2 1 346.475 2.355 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330033564 465512682 /nfs/dbraw/zinc/51/26/82/465512682.db2.gz VQOGFLOWNNTYRP-SMDDNHRTSA-N 2 1 330.436 2.010 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330033564 465512688 /nfs/dbraw/zinc/51/26/88/465512688.db2.gz VQOGFLOWNNTYRP-SMDDNHRTSA-N 2 1 330.436 2.010 20 30 EEEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345804399 465905287 /nfs/dbraw/zinc/90/52/87/465905287.db2.gz ZGTJKXNWJXXLQR-INIZCTEOSA-N 2 1 334.508 2.381 20 30 EEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370707526 466973548 /nfs/dbraw/zinc/97/35/48/466973548.db2.gz FEILNLVVKOPCBP-RXVVDRJESA-N 2 1 341.499 2.156 20 30 EEEDMP C#CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370707526 466973552 /nfs/dbraw/zinc/97/35/52/466973552.db2.gz FEILNLVVKOPCBP-RXVVDRJESA-N 2 1 341.499 2.156 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000490594217 468223314 /nfs/dbraw/zinc/22/33/14/468223314.db2.gz NMLQPSTUHBZNHF-FXAWDEMLSA-N 2 1 339.483 2.283 20 30 EEEDMP C[C@@H]1C[C@@]1(C#N)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000560167532 468771466 /nfs/dbraw/zinc/77/14/66/468771466.db2.gz JCICIEGFLQKAOI-UZLBHIALSA-N 2 1 346.519 2.191 20 30 EEEDMP C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000595409067 468841779 /nfs/dbraw/zinc/84/17/79/468841779.db2.gz KCEGSDHEPBFABZ-PXNSSMCTSA-N 2 1 326.488 2.059 20 30 EEEDMP C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000595409067 468841781 /nfs/dbraw/zinc/84/17/81/468841781.db2.gz KCEGSDHEPBFABZ-PXNSSMCTSA-N 2 1 326.488 2.059 20 30 EEEDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC1(CC#N)CC1 ZINC000602826591 469100562 /nfs/dbraw/zinc/10/05/62/469100562.db2.gz CCKSCBSBMFKACI-UHFFFAOYSA-N 2 1 326.488 2.430 20 30 EEEDMP Cc1cc(NCC[C@@H](C)[NH+](C)C)c(C#N)c(NCC[C@H](C)[NH+](C)C)[nH+]1 ZINC000596431805 469264711 /nfs/dbraw/zinc/26/47/11/469264711.db2.gz NHDXOWDOHMEIPD-CVEARBPZSA-N 3 1 346.523 2.766 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021619003 676272753 /nfs/dbraw/zinc/27/27/53/676272753.db2.gz IUSOEHLBKNIWCR-APWZRJJASA-N 2 1 336.439 2.202 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001021636833 676292520 /nfs/dbraw/zinc/29/25/20/676292520.db2.gz TYPJVDRZDRZSAS-WMZOPIPTSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001021636833 676292522 /nfs/dbraw/zinc/29/25/22/676292522.db2.gz TYPJVDRZDRZSAS-WMZOPIPTSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663191 676317948 /nfs/dbraw/zinc/31/79/48/676317948.db2.gz APDPFRXVDDESNP-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663191 676317950 /nfs/dbraw/zinc/31/79/50/676317950.db2.gz APDPFRXVDDESNP-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735412 676393860 /nfs/dbraw/zinc/39/38/60/676393860.db2.gz FCEMSVULRJJGQL-CVEARBPZSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735412 676393861 /nfs/dbraw/zinc/39/38/61/676393861.db2.gz FCEMSVULRJJGQL-CVEARBPZSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCCF)CC[C@@H]32)CC1 ZINC001021739130 676397064 /nfs/dbraw/zinc/39/70/64/676397064.db2.gz GRNSPINITHEWMH-OALUTQOASA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC4CC4)CC[C@H]32)CC1 ZINC001021738891 676397155 /nfs/dbraw/zinc/39/71/55/676397155.db2.gz DLKXWODBCHJCEX-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001022221713 676743084 /nfs/dbraw/zinc/74/30/84/676743084.db2.gz LQGSWDVPXALJKM-OAOYMFHYSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001022221713 676743085 /nfs/dbraw/zinc/74/30/85/676743085.db2.gz LQGSWDVPXALJKM-OAOYMFHYSA-N 2 1 343.446 2.221 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972372795 678620400 /nfs/dbraw/zinc/62/04/00/678620400.db2.gz DCNOGMQXDPRHNP-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972372795 678620403 /nfs/dbraw/zinc/62/04/03/678620403.db2.gz DCNOGMQXDPRHNP-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972372795 678620404 /nfs/dbraw/zinc/62/04/04/678620404.db2.gz DCNOGMQXDPRHNP-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023424349 679302352 /nfs/dbraw/zinc/30/23/52/679302352.db2.gz VUKJZAHDOLJKDG-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023424349 679302353 /nfs/dbraw/zinc/30/23/53/679302353.db2.gz VUKJZAHDOLJKDG-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023424349 679302354 /nfs/dbraw/zinc/30/23/54/679302354.db2.gz VUKJZAHDOLJKDG-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023424349 679302355 /nfs/dbraw/zinc/30/23/55/679302355.db2.gz VUKJZAHDOLJKDG-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023424349 679302356 /nfs/dbraw/zinc/30/23/56/679302356.db2.gz VUKJZAHDOLJKDG-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001023481171 679334457 /nfs/dbraw/zinc/33/44/57/679334457.db2.gz CBLYFSMAOSGWIT-MRXNPFEDSA-N 2 1 339.443 2.285 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761932 679568998 /nfs/dbraw/zinc/56/89/98/679568998.db2.gz MXKHSFGCMYBNKR-SFHVURJKSA-N 2 1 327.472 2.213 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC001024365993 679883490 /nfs/dbraw/zinc/88/34/90/679883490.db2.gz LSJXKQOZMRMZQM-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001024365993 679883491 /nfs/dbraw/zinc/88/34/91/679883491.db2.gz LSJXKQOZMRMZQM-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001024365993 679883492 /nfs/dbraw/zinc/88/34/92/679883492.db2.gz LSJXKQOZMRMZQM-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC001024365993 679883494 /nfs/dbraw/zinc/88/34/94/679883494.db2.gz LSJXKQOZMRMZQM-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624512 681291725 /nfs/dbraw/zinc/29/17/25/681291725.db2.gz UFFAFEXDRYOJMT-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624512 681291727 /nfs/dbraw/zinc/29/17/27/681291727.db2.gz UFFAFEXDRYOJMT-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@H+](CC(C)C)C[C@]3(C)C2)CC1 ZINC000982831756 681352857 /nfs/dbraw/zinc/35/28/57/681352857.db2.gz QGRRZDSFVWRDNJ-OYRHEFFESA-N 2 1 345.531 2.158 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025240065 682296063 /nfs/dbraw/zinc/29/60/63/682296063.db2.gz KWQUUIVGMMQSMP-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025240065 682296066 /nfs/dbraw/zinc/29/60/66/682296066.db2.gz KWQUUIVGMMQSMP-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025245964 682314111 /nfs/dbraw/zinc/31/41/11/682314111.db2.gz AUJSIEIPTDVVBF-OALUTQOASA-N 2 1 343.515 2.484 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025247144 682316007 /nfs/dbraw/zinc/31/60/07/682316007.db2.gz IRWNMRFCCCMJNS-OALUTQOASA-N 2 1 336.439 2.427 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461498 682829205 /nfs/dbraw/zinc/82/92/05/682829205.db2.gz UPOGVUWGMZTKDV-NVXWUHKLSA-N 2 1 338.455 2.496 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001025481612 682888963 /nfs/dbraw/zinc/88/89/63/682888963.db2.gz JLABXHMWPWXPCD-HZPDHXFCSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(Cl)CN1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040116602 687134874 /nfs/dbraw/zinc/13/48/74/687134874.db2.gz ZFTAXWBOSDLZFM-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040116602 687134877 /nfs/dbraw/zinc/13/48/77/687134877.db2.gz ZFTAXWBOSDLZFM-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040116602 687134879 /nfs/dbraw/zinc/13/48/79/687134879.db2.gz ZFTAXWBOSDLZFM-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040116602 687134880 /nfs/dbraw/zinc/13/48/80/687134880.db2.gz ZFTAXWBOSDLZFM-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001027460573 692198554 /nfs/dbraw/zinc/19/85/54/692198554.db2.gz KVQKSJWLTJAYBR-RTBURBONSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001027460573 692198558 /nfs/dbraw/zinc/19/85/58/692198558.db2.gz KVQKSJWLTJAYBR-RTBURBONSA-N 2 1 342.487 2.321 20 30 EEEDMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001486178759 1193716332 /nfs/dbraw/zinc/71/63/32/1193716332.db2.gz DWODVYZEAOROSD-RHSMWYFYSA-N 2 1 348.516 2.431 20 30 EEEDMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001486178759 1193716333 /nfs/dbraw/zinc/71/63/33/1193716333.db2.gz DWODVYZEAOROSD-RHSMWYFYSA-N 2 1 348.516 2.431 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@H](C)C1 ZINC000944124011 1192897864 /nfs/dbraw/zinc/89/78/64/1192897864.db2.gz ZGXIWPSJWNIGJW-WBVHZDCISA-N 2 1 339.443 2.284 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)C[C@@H](F)CC)C(C)C)CC1 ZINC001755815620 1187548357 /nfs/dbraw/zinc/54/83/57/1187548357.db2.gz QAVHGTIGQJRLCO-SFHVURJKSA-N 2 1 339.499 2.249 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)C[C@@H](F)CC)C(C)C)CC1 ZINC001755815620 1187548359 /nfs/dbraw/zinc/54/83/59/1187548359.db2.gz QAVHGTIGQJRLCO-SFHVURJKSA-N 2 1 339.499 2.249 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563919 1188179687 /nfs/dbraw/zinc/17/96/87/1188179687.db2.gz UCKNCYXCHYWJJP-MOPGFXCFSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105564073 1188180387 /nfs/dbraw/zinc/18/03/87/1188180387.db2.gz VWAVJLPPNBNDPW-OALUTQOASA-N 2 1 345.531 2.493 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244299 1188805885 /nfs/dbraw/zinc/80/58/85/1188805885.db2.gz NWJSZVTWBWJNTR-FCEWJHQRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244299 1188805888 /nfs/dbraw/zinc/80/58/88/1188805888.db2.gz NWJSZVTWBWJNTR-FCEWJHQRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244299 1188805889 /nfs/dbraw/zinc/80/58/89/1188805889.db2.gz NWJSZVTWBWJNTR-FCEWJHQRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447030 1188923283 /nfs/dbraw/zinc/92/32/83/1188923283.db2.gz MXZUIKLEQUBKFP-RBUKOAKNSA-N 2 1 331.504 2.217 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccc(C#N)cc3)CCC2)C1 ZINC001484653650 1191457396 /nfs/dbraw/zinc/45/73/96/1191457396.db2.gz SURFOTFUBNXNAY-INIZCTEOSA-N 2 1 340.471 2.029 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034403798 1196196328 /nfs/dbraw/zinc/19/63/28/1196196328.db2.gz BZXLJTMZZPWEEO-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034403798 1196196332 /nfs/dbraw/zinc/19/63/32/1196196332.db2.gz BZXLJTMZZPWEEO-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538891 1196362020 /nfs/dbraw/zinc/36/20/20/1196362020.db2.gz VOMWAABGPYFEMO-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001005638624 1196581877 /nfs/dbraw/zinc/58/18/77/1196581877.db2.gz KOBJWHQVAZENMM-UHFFFAOYSA-N 2 1 334.464 2.239 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086720895 1199446650 /nfs/dbraw/zinc/44/66/50/1199446650.db2.gz UHJDECPAULFEMR-OTWHNJEPSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086720895 1199446653 /nfs/dbraw/zinc/44/66/53/1199446653.db2.gz UHJDECPAULFEMR-OTWHNJEPSA-N 2 1 331.504 2.149 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001114445604 1200072437 /nfs/dbraw/zinc/07/24/37/1200072437.db2.gz UAQHOYDROKJQQB-XWTMOSNGSA-N 2 1 330.476 2.483 20 30 EEEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011583 1200332913 /nfs/dbraw/zinc/33/29/13/1200332913.db2.gz KTEXWPVAFXOVIN-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011584 1200333234 /nfs/dbraw/zinc/33/32/34/1200333234.db2.gz KTEXWPVAFXOVIN-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000887132966 1204213079 /nfs/dbraw/zinc/21/30/79/1204213079.db2.gz RBAAUPVIVAFJBV-INIZCTEOSA-N 2 1 349.438 2.493 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](CCCc1ccc(C#N)cc1)C2 ZINC001274892470 1205202161 /nfs/dbraw/zinc/20/21/61/1205202161.db2.gz RTCVKUBVIRAIMF-UHFFFAOYSA-N 2 1 340.515 2.450 20 30 EEEDMP N#Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)nc1 ZINC001275032352 1205239140 /nfs/dbraw/zinc/23/91/40/1205239140.db2.gz NGIVYNYIILUGMY-MOPGFXCFSA-N 2 1 336.443 2.401 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2CC1 ZINC001276242925 1205851219 /nfs/dbraw/zinc/85/12/19/1205851219.db2.gz SJGSYRSJSUKOMG-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2CC1 ZINC001276242925 1205851221 /nfs/dbraw/zinc/85/12/21/1205851221.db2.gz SJGSYRSJSUKOMG-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2CC1 ZINC001276242925 1205851222 /nfs/dbraw/zinc/85/12/22/1205851222.db2.gz SJGSYRSJSUKOMG-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2CC1 ZINC001276242925 1205851224 /nfs/dbraw/zinc/85/12/24/1205851224.db2.gz SJGSYRSJSUKOMG-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2CC1 ZINC001276242925 1205851225 /nfs/dbraw/zinc/85/12/25/1205851225.db2.gz SJGSYRSJSUKOMG-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001111169101 1208312265 /nfs/dbraw/zinc/31/22/65/1208312265.db2.gz BXCVIKOSQMPKRS-AQNXPRMDSA-N 2 1 339.483 2.101 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001111169101 1208312268 /nfs/dbraw/zinc/31/22/68/1208312268.db2.gz BXCVIKOSQMPKRS-AQNXPRMDSA-N 2 1 339.483 2.101 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947568095 1208624265 /nfs/dbraw/zinc/62/42/65/1208624265.db2.gz JDEBINRDLFFPJL-IEBWSBKVSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000948952967 1209471680 /nfs/dbraw/zinc/47/16/80/1209471680.db2.gz BDEBQDUDBLCRFI-HXUWFJFHSA-N 2 1 339.483 2.067 20 30 EEEDMP CCc1ccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000303890939 1213921444 /nfs/dbraw/zinc/92/14/44/1213921444.db2.gz QIFAPEFIGBZUFS-MRXNPFEDSA-N 2 1 331.508 2.249 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000304749114 1216102555 /nfs/dbraw/zinc/10/25/55/1216102555.db2.gz HNGMFZHKSLLVGD-OAHLLOKOSA-N 2 1 332.448 2.449 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000304751999 1216102587 /nfs/dbraw/zinc/10/25/87/1216102587.db2.gz JUKOHUVOVOMFQU-RBUKOAKNSA-N 3 1 343.519 2.040 20 30 EEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000304751999 1216102589 /nfs/dbraw/zinc/10/25/89/1216102589.db2.gz JUKOHUVOVOMFQU-RBUKOAKNSA-N 3 1 343.519 2.040 20 30 EEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000304751999 1216102591 /nfs/dbraw/zinc/10/25/91/1216102591.db2.gz JUKOHUVOVOMFQU-RBUKOAKNSA-N 3 1 343.519 2.040 20 30 EEEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1Cc1ccccc1 ZINC000304751999 1216102593 /nfs/dbraw/zinc/10/25/93/1216102593.db2.gz JUKOHUVOVOMFQU-RBUKOAKNSA-N 2 1 343.519 2.040 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1Cc1ccccc1 ZINC000304751999 1216102595 /nfs/dbraw/zinc/10/25/95/1216102595.db2.gz JUKOHUVOVOMFQU-RBUKOAKNSA-N 2 1 343.519 2.040 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961226489 1217097590 /nfs/dbraw/zinc/09/75/90/1217097590.db2.gz HCPBONQIRHPIIM-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961396148 1217173436 /nfs/dbraw/zinc/17/34/36/1217173436.db2.gz MLVZPHGWICQYDE-YSIASYRMSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961396148 1217173437 /nfs/dbraw/zinc/17/34/37/1217173437.db2.gz MLVZPHGWICQYDE-YSIASYRMSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961396148 1217173441 /nfs/dbraw/zinc/17/34/41/1217173441.db2.gz MLVZPHGWICQYDE-YSIASYRMSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338901 1217533499 /nfs/dbraw/zinc/53/34/99/1217533499.db2.gz ZVPMPWMYMRRFRD-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338901 1217533504 /nfs/dbraw/zinc/53/35/04/1217533504.db2.gz ZVPMPWMYMRRFRD-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016625926 1226700697 /nfs/dbraw/zinc/70/06/97/1226700697.db2.gz QAEHULCPEDAWRR-HKUYNNGSSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC=C(C)C)CC2 ZINC001016671249 1226758194 /nfs/dbraw/zinc/75/81/94/1226758194.db2.gz VTYCFDCJWRHLMS-ZWKOTPCHSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC=C(C)C)CC2 ZINC001016671249 1226758197 /nfs/dbraw/zinc/75/81/97/1226758197.db2.gz VTYCFDCJWRHLMS-ZWKOTPCHSA-N 2 1 329.488 2.021 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001016697402 1226791907 /nfs/dbraw/zinc/79/19/07/1226791907.db2.gz FOBOACGAFQTGKH-KRWDZBQOSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001018968058 1228587272 /nfs/dbraw/zinc/58/72/72/1228587272.db2.gz RCRHGLHHYFHDDI-HOCLYGCPSA-N 2 1 325.884 2.336 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001020251449 1229583588 /nfs/dbraw/zinc/58/35/88/1229583588.db2.gz NHZAPUBPBQHYEG-QZHFEQFPSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001020251449 1229583591 /nfs/dbraw/zinc/58/35/91/1229583591.db2.gz NHZAPUBPBQHYEG-QZHFEQFPSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038369978 1229773851 /nfs/dbraw/zinc/77/38/51/1229773851.db2.gz ZHLXWZKQULKIDI-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182213 1230409153 /nfs/dbraw/zinc/40/91/53/1230409153.db2.gz LCSHGQDUMBINOU-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182213 1230409156 /nfs/dbraw/zinc/40/91/56/1230409156.db2.gz LCSHGQDUMBINOU-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182213 1230409160 /nfs/dbraw/zinc/40/91/60/1230409160.db2.gz LCSHGQDUMBINOU-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182917 1230410052 /nfs/dbraw/zinc/41/00/52/1230410052.db2.gz UMZFZDXWTACCCJ-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 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/nfs/dbraw/zinc/28/57/24/1231285724.db2.gz MQJOZDWEEWOQRV-NRFANRHFSA-N 2 1 339.483 2.310 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357663 1231519053 /nfs/dbraw/zinc/51/90/53/1231519053.db2.gz IBKHVXMDUHMSBF-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357663 1231519057 /nfs/dbraw/zinc/51/90/57/1231519057.db2.gz IBKHVXMDUHMSBF-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357663 1231519058 /nfs/dbraw/zinc/51/90/58/1231519058.db2.gz IBKHVXMDUHMSBF-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041591137 1231613262 /nfs/dbraw/zinc/61/32/62/1231613262.db2.gz WHUQFIIFBYBJLD-CTNGQTDRSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591137 1231613265 /nfs/dbraw/zinc/61/32/65/1231613265.db2.gz 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C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000194486 1240050072 /nfs/dbraw/zinc/05/00/72/1240050072.db2.gz VTALLYONSUGCDX-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560556 1241420124 /nfs/dbraw/zinc/42/01/24/1241420124.db2.gz FCIKVOPRBVUELV-RBUKOAKNSA-N 2 1 336.439 2.345 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001001465430 1242324676 /nfs/dbraw/zinc/32/46/76/1242324676.db2.gz AUXIISSWCOEEHX-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001001465430 1242324686 /nfs/dbraw/zinc/32/46/86/1242324686.db2.gz AUXIISSWCOEEHX-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073462689 1242505875 /nfs/dbraw/zinc/50/58/75/1242505875.db2.gz XAWPGXYGJWIVHI-GOSISDBHSA-N 2 1 327.472 2.400 20 30 EEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073462689 1242505886 /nfs/dbraw/zinc/50/58/86/1242505886.db2.gz XAWPGXYGJWIVHI-GOSISDBHSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097577664 1244377060 /nfs/dbraw/zinc/37/70/60/1244377060.db2.gz ORAUZNKYQBLBFB-QRQLOZEOSA-N 2 1 327.472 2.312 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052419497 1247236952 /nfs/dbraw/zinc/23/69/52/1247236952.db2.gz NRBVWLXAUSMIIK-MRXNPFEDSA-N 2 1 333.501 2.417 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC001052458235 1247331891 /nfs/dbraw/zinc/33/18/91/1247331891.db2.gz AJGRDUKYZMNDOV-MSOLQXFVSA-N 2 1 345.512 2.316 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001052458235 1247331901 /nfs/dbraw/zinc/33/19/01/1247331901.db2.gz AJGRDUKYZMNDOV-MSOLQXFVSA-N 2 1 345.512 2.316 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC001052458235 1247331911 /nfs/dbraw/zinc/33/19/11/1247331911.db2.gz AJGRDUKYZMNDOV-MSOLQXFVSA-N 2 1 345.512 2.316 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC001052458235 1247331918 /nfs/dbraw/zinc/33/19/18/1247331918.db2.gz AJGRDUKYZMNDOV-MSOLQXFVSA-N 2 1 345.512 2.316 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144181 1247513756 /nfs/dbraw/zinc/51/37/56/1247513756.db2.gz RIOYJVGPHYJVJB-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054144181 1247513764 /nfs/dbraw/zinc/51/37/64/1247513764.db2.gz RIOYJVGPHYJVJB-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054144181 1247513771 /nfs/dbraw/zinc/51/37/71/1247513771.db2.gz RIOYJVGPHYJVJB-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589804 1247619175 /nfs/dbraw/zinc/61/91/75/1247619175.db2.gz OZCSKSTXQMOSSD-LJQANCHMSA-N 2 1 341.499 2.398 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227041 1247777736 /nfs/dbraw/zinc/77/77/36/1247777736.db2.gz CKSGQEVBOQFJTQ-HXUWFJFHSA-N 2 1 340.471 2.099 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227041 1247777741 /nfs/dbraw/zinc/77/77/41/1247777741.db2.gz CKSGQEVBOQFJTQ-HXUWFJFHSA-N 2 1 340.471 2.099 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001099538255 1258195002 /nfs/dbraw/zinc/19/50/02/1258195002.db2.gz VKMXLDNPEAAHLB-VJANTYMQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001099538255 1258195007 /nfs/dbraw/zinc/19/50/07/1258195007.db2.gz VKMXLDNPEAAHLB-VJANTYMQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC2(CCOCC2)C1 ZINC001099583553 1258227237 /nfs/dbraw/zinc/22/72/37/1258227237.db2.gz UYKVRDFDONKGEQ-KRWDZBQOSA-N 2 1 349.519 2.034 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135030098 1278118632 /nfs/dbraw/zinc/11/86/32/1278118632.db2.gz XMSRODLSDCTJNK-STQMWFEESA-N 2 1 345.472 2.198 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135030268 1278118890 /nfs/dbraw/zinc/11/88/90/1278118890.db2.gz ZWYJKCGAMQXANY-GJZGRUSLSA-N 2 1 339.443 2.136 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(CN(C)C)on3)[C@@H]2C1 ZINC001188405139 1279882873 /nfs/dbraw/zinc/88/28/73/1279882873.db2.gz ARNXZUCTIXMCTO-RVKKMQEKSA-N 2 1 346.475 2.237 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001188405139 1279882886 /nfs/dbraw/zinc/88/28/86/1279882886.db2.gz ARNXZUCTIXMCTO-RVKKMQEKSA-N 2 1 346.475 2.237 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001188405139 1279882897 /nfs/dbraw/zinc/88/28/97/1279882897.db2.gz ARNXZUCTIXMCTO-RVKKMQEKSA-N 2 1 346.475 2.237 20 30 EEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408120 1282475698 /nfs/dbraw/zinc/47/56/98/1282475698.db2.gz DPENIAOAFCIUQM-UYAOXDASSA-N 2 1 327.472 2.019 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)C1 ZINC001194286281 1282980927 /nfs/dbraw/zinc/98/09/27/1282980927.db2.gz YENAPSYIBCGISC-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)C1 ZINC001194286281 1282980929 /nfs/dbraw/zinc/98/09/29/1282980929.db2.gz YENAPSYIBCGISC-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001194286281 1282980933 /nfs/dbraw/zinc/98/09/33/1282980933.db2.gz YENAPSYIBCGISC-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001194286281 1282980934 /nfs/dbraw/zinc/98/09/34/1282980934.db2.gz YENAPSYIBCGISC-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001197908266 1284901987 /nfs/dbraw/zinc/90/19/87/1284901987.db2.gz VLHBLFUFIRNLQK-UHFFFAOYSA-N 2 1 341.499 2.304 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001197908266 1284901994 /nfs/dbraw/zinc/90/19/94/1284901994.db2.gz VLHBLFUFIRNLQK-UHFFFAOYSA-N 2 1 341.499 2.304 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001197908266 1284901998 /nfs/dbraw/zinc/90/19/98/1284901998.db2.gz VLHBLFUFIRNLQK-UHFFFAOYSA-N 2 1 341.499 2.304 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001197908266 1284901999 /nfs/dbraw/zinc/90/19/99/1284901999.db2.gz VLHBLFUFIRNLQK-UHFFFAOYSA-N 2 1 341.499 2.304 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268032 1295788700 /nfs/dbraw/zinc/78/87/00/1295788700.db2.gz GDUHQUIENITCJS-OALUTQOASA-N 2 1 345.487 2.073 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125966 1296552539 /nfs/dbraw/zinc/55/25/39/1296552539.db2.gz QPKRWRCBRHPVOK-HZPDHXFCSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125966 1296552553 /nfs/dbraw/zinc/55/25/53/1296552553.db2.gz QPKRWRCBRHPVOK-HZPDHXFCSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001074824747 1298321578 /nfs/dbraw/zinc/32/15/78/1298321578.db2.gz OMAOIHHULHEVAW-XHSDSOJGSA-N 2 1 327.900 2.440 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099353857 1299076777 /nfs/dbraw/zinc/07/67/77/1299076777.db2.gz HSANMADTYKWVLD-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001099548724 1299210176 /nfs/dbraw/zinc/21/01/76/1299210176.db2.gz ZOLGIRXGQWLOGM-VJANTYMQSA-N 2 1 343.515 2.217 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222086010 1299336669 /nfs/dbraw/zinc/33/66/69/1299336669.db2.gz BAZIDUNIXFYPMY-KRWDZBQOSA-N 2 1 335.879 2.452 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222086010 1299336683 /nfs/dbraw/zinc/33/66/83/1299336683.db2.gz BAZIDUNIXFYPMY-KRWDZBQOSA-N 2 1 335.879 2.452 20 30 EEEDMP C#Cc1ccc(C[N@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)cc1 ZINC001222130974 1299375400 /nfs/dbraw/zinc/37/54/00/1299375400.db2.gz MKKMXGZPIQYOQQ-ICSRJNTNSA-N 2 1 326.440 2.033 20 30 EEEDMP CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1)[NH+](C)C ZINC001227981010 1302038864 /nfs/dbraw/zinc/03/88/64/1302038864.db2.gz ZVCOWYMPIXHNBG-GOSISDBHSA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001228167575 1302135888 /nfs/dbraw/zinc/13/58/88/1302135888.db2.gz OQDOCBGRNGZTSR-KURKYZTESA-N 2 1 337.508 2.079 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001228167575 1302135895 /nfs/dbraw/zinc/13/58/95/1302135895.db2.gz OQDOCBGRNGZTSR-KURKYZTESA-N 2 1 337.508 2.079 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230716149 1303411392 /nfs/dbraw/zinc/41/13/92/1303411392.db2.gz BMCJMQBKHSRJCY-GOSISDBHSA-N 2 1 330.476 2.060 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230716149 1303411394 /nfs/dbraw/zinc/41/13/94/1303411394.db2.gz BMCJMQBKHSRJCY-GOSISDBHSA-N 2 1 330.476 2.060 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230716149 1303411396 /nfs/dbraw/zinc/41/13/96/1303411396.db2.gz BMCJMQBKHSRJCY-GOSISDBHSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CC[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)Cc1cccnc1 ZINC001230778278 1303450053 /nfs/dbraw/zinc/45/00/53/1303450053.db2.gz MOQVQMKXNBDLNJ-UHFFFAOYSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)C[NH+](C)C1CCC1)Cc1cccnc1 ZINC001230778278 1303450055 /nfs/dbraw/zinc/45/00/55/1303450055.db2.gz MOQVQMKXNBDLNJ-UHFFFAOYSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)C[NH+](C)C1CCC1)Cc1cccnc1 ZINC001230778278 1303450056 /nfs/dbraw/zinc/45/00/56/1303450056.db2.gz MOQVQMKXNBDLNJ-UHFFFAOYSA-N 2 1 330.476 2.060 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277633150 1304046060 /nfs/dbraw/zinc/04/60/60/1304046060.db2.gz BNNCLQDBKSSYIW-ROUUACIJSA-N 2 1 332.879 2.422 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277633150 1304046065 /nfs/dbraw/zinc/04/60/65/1304046065.db2.gz BNNCLQDBKSSYIW-ROUUACIJSA-N 2 1 332.879 2.422 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198279 1304320969 /nfs/dbraw/zinc/32/09/69/1304320969.db2.gz MDWAZDYNRVKJHY-ZIAGYGMSSA-N 2 1 335.414 2.273 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001112444032 1304554318 /nfs/dbraw/zinc/55/43/18/1304554318.db2.gz AOGZKPSNQWOFAI-ZVDOUQERSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001235280407 1305176419 /nfs/dbraw/zinc/17/64/19/1305176419.db2.gz JJUKMNLLXIDJNV-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](CCCC#N)C[C@H]3CC2)cc1C#N ZINC001277942990 1305219881 /nfs/dbraw/zinc/21/98/81/1305219881.db2.gz IRMORERYCZLQDL-HDICACEKSA-N 2 1 325.460 2.344 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](CCCC#N)C[C@H]3CC2)cc1C#N ZINC001277942990 1305219885 /nfs/dbraw/zinc/21/98/85/1305219885.db2.gz IRMORERYCZLQDL-HDICACEKSA-N 2 1 325.460 2.344 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](CC(C)(C)CO)C[C@H]3CC2)cc1C#N ZINC001277967549 1305377409 /nfs/dbraw/zinc/37/74/09/1305377409.db2.gz AUOTXKQLISUTKI-HDICACEKSA-N 2 1 344.503 2.059 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](CC(C)(C)CO)C[C@H]3CC2)cc1C#N ZINC001277967549 1305377429 /nfs/dbraw/zinc/37/74/29/1305377429.db2.gz AUOTXKQLISUTKI-HDICACEKSA-N 2 1 344.503 2.059 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](CC(C)(C)CO)C[C@H]3CC2)cc1C#N ZINC001277967549 1305377443 /nfs/dbraw/zinc/37/74/43/1305377443.db2.gz AUOTXKQLISUTKI-HDICACEKSA-N 2 1 344.503 2.059 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001246304586 1310276900 /nfs/dbraw/zinc/27/69/00/1310276900.db2.gz NOJASMIFHNUIAG-ROUUACIJSA-N 2 1 334.435 2.499 20 30 EEEDMP C#CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000830343319 1314534124 /nfs/dbraw/zinc/53/41/24/1314534124.db2.gz SLAJYYFOPFLLDD-XLIONFOSSA-N 2 1 339.483 2.111 20 30 EEEDMP C=CCC[NH+]1CCC(CCOC)(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001151327575 1316505168 /nfs/dbraw/zinc/50/51/68/1316505168.db2.gz ZPEILBRXYUVAPL-QGZVFWFLSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCCC1 ZINC001153868527 1316904711 /nfs/dbraw/zinc/90/47/11/1316904711.db2.gz VHIIYPKTKJYHLG-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CCCCC1 ZINC001153868527 1316904713 /nfs/dbraw/zinc/90/47/13/1316904713.db2.gz VHIIYPKTKJYHLG-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCCC1 ZINC001153868527 1316904716 /nfs/dbraw/zinc/90/47/16/1316904716.db2.gz VHIIYPKTKJYHLG-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCCCC1 ZINC001153868527 1316904717 /nfs/dbraw/zinc/90/47/17/1316904717.db2.gz VHIIYPKTKJYHLG-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCCCC1 ZINC001153868527 1316904719 /nfs/dbraw/zinc/90/47/19/1316904719.db2.gz VHIIYPKTKJYHLG-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C[Si](C)(C)C#Cc1cccnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155376436 1317570887 /nfs/dbraw/zinc/57/08/87/1317570887.db2.gz NAWDPIWHBFRIHH-SFHVURJKSA-N 2 1 342.563 2.170 20 30 EEEDMP C[C@H]1CN(O)C(=O)[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255131084 1318295245 /nfs/dbraw/zinc/29/52/45/1318295245.db2.gz XWENBOWNMWBHTP-FUJDEKNSSA-N 2 1 329.444 2.008 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)s1 ZINC001158040741 1318981743 /nfs/dbraw/zinc/98/17/43/1318981743.db2.gz YYFIPYOBTLBHAI-CABCVRRESA-N 2 1 346.500 2.090 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001159328672 1319742545 /nfs/dbraw/zinc/74/25/45/1319742545.db2.gz VOCZOSHIDQMYJH-INIZCTEOSA-N 2 1 334.489 2.090 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCc1ccc(C)cc1 ZINC001160197904 1320096625 /nfs/dbraw/zinc/09/66/25/1320096625.db2.gz NBQWWTQOWFZEOA-FQEVSTJZSA-N 2 1 341.499 2.121 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCc1ccc(C)cc1 ZINC001160197904 1320096627 /nfs/dbraw/zinc/09/66/27/1320096627.db2.gz NBQWWTQOWFZEOA-FQEVSTJZSA-N 2 1 341.499 2.121 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001160209593 1320100158 /nfs/dbraw/zinc/10/01/58/1320100158.db2.gz RLQKUWDHYGTKBP-QAPCUYQASA-N 2 1 331.435 2.080 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001160209593 1320100160 /nfs/dbraw/zinc/10/01/60/1320100160.db2.gz RLQKUWDHYGTKBP-QAPCUYQASA-N 2 1 331.435 2.080 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161445427 1320504079 /nfs/dbraw/zinc/50/40/79/1320504079.db2.gz RTZYVDGZPSTITG-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161445427 1320504085 /nfs/dbraw/zinc/50/40/85/1320504085.db2.gz RTZYVDGZPSTITG-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161445427 1320504089 /nfs/dbraw/zinc/50/40/89/1320504089.db2.gz RTZYVDGZPSTITG-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161674792 1320583583 /nfs/dbraw/zinc/58/35/83/1320583583.db2.gz XEFHBICMYUJBCG-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001161674792 1320583584 /nfs/dbraw/zinc/58/35/84/1320583584.db2.gz XEFHBICMYUJBCG-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001161674792 1320583590 /nfs/dbraw/zinc/58/35/90/1320583590.db2.gz XEFHBICMYUJBCG-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704687 1320594882 /nfs/dbraw/zinc/59/48/82/1320594882.db2.gz GBEXTMZBGVHYHP-OALUTQOASA-N 2 1 331.504 2.269 20 30 EEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)(COC)CC1 ZINC001162604438 1320909790 /nfs/dbraw/zinc/90/97/90/1320909790.db2.gz TUOGUXVAKGJLJD-UHFFFAOYSA-N 2 1 348.491 2.003 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001162928091 1320989815 /nfs/dbraw/zinc/98/98/15/1320989815.db2.gz FAXKRXMKZXWJET-PKOBYXMFSA-N 2 1 329.488 2.031 20 30 EEEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165484948 1321533051 /nfs/dbraw/zinc/53/30/51/1321533051.db2.gz IJYUMALVHNJNRB-SFHVURJKSA-N 2 1 331.504 2.293 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452380 1323142579 /nfs/dbraw/zinc/14/25/79/1323142579.db2.gz CLUHDWKSOXGZLW-RBUKOAKNSA-N 2 1 345.462 2.075 20 30 EEEDMP C=CCOC(=O)N1CCC[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001208604755 1324585667 /nfs/dbraw/zinc/58/56/67/1324585667.db2.gz SZGXIMHUQZRFQU-PKOBYXMFSA-N 2 1 335.492 2.439 20 30 EEEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001208604755 1324585674 /nfs/dbraw/zinc/58/56/74/1324585674.db2.gz SZGXIMHUQZRFQU-PKOBYXMFSA-N 2 1 335.492 2.439 20 30 EEEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001208604755 1324585678 /nfs/dbraw/zinc/58/56/78/1324585678.db2.gz SZGXIMHUQZRFQU-PKOBYXMFSA-N 2 1 335.492 2.439 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001340821937 1337252456 /nfs/dbraw/zinc/25/24/56/1337252456.db2.gz FDUUBOVCALRVKH-SFHVURJKSA-N 2 1 331.460 2.183 20 30 EEEDMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC001646520949 1352861677 /nfs/dbraw/zinc/86/16/77/1352861677.db2.gz QMIIKDZPTMTGQH-DLBZAZTESA-N 2 1 331.460 2.008 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114976035 1371467704 /nfs/dbraw/zinc/46/77/04/1371467704.db2.gz SCSPFFMPSZRRRH-ITQYTPKQSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114976035 1371467709 /nfs/dbraw/zinc/46/77/09/1371467709.db2.gz SCSPFFMPSZRRRH-ITQYTPKQSA-N 2 1 330.476 2.373 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001365946505 1373781569 /nfs/dbraw/zinc/78/15/69/1373781569.db2.gz SSCGAWYYDHTCOM-RTBURBONSA-N 2 1 342.487 2.225 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001365946505 1373781574 /nfs/dbraw/zinc/78/15/74/1373781574.db2.gz SSCGAWYYDHTCOM-RTBURBONSA-N 2 1 342.487 2.225 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001366435831 1373897641 /nfs/dbraw/zinc/89/76/41/1373897641.db2.gz UTMIYMUPGQAKQN-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001366435831 1373897645 /nfs/dbraw/zinc/89/76/45/1373897645.db2.gz UTMIYMUPGQAKQN-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001366435831 1373897648 /nfs/dbraw/zinc/89/76/48/1373897648.db2.gz UTMIYMUPGQAKQN-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1cc(C#N)ccc1F ZINC001367249607 1374144572 /nfs/dbraw/zinc/14/45/72/1374144572.db2.gz XHZXQFGLBUWADF-AWEZNQCLSA-N 2 1 346.450 2.024 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC001369400065 1374531950 /nfs/dbraw/zinc/53/19/50/1374531950.db2.gz KMCRYVNQIJCLGM-WMLDXEAASA-N 2 1 346.450 2.118 20 30 EEEDMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001373682317 1376552691 /nfs/dbraw/zinc/55/26/91/1376552691.db2.gz ZIBOOHFDVLBUQY-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001373682317 1376552694 /nfs/dbraw/zinc/55/26/94/1376552694.db2.gz ZIBOOHFDVLBUQY-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001381485328 1381623505 /nfs/dbraw/zinc/62/35/05/1381623505.db2.gz ONSXGERGUKEWJG-GOSISDBHSA-N 2 1 342.487 2.084 20 30 EEEDMP CC[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)Cc1cccc(C#N)c1 ZINC001390969267 1388925514 /nfs/dbraw/zinc/92/55/14/1388925514.db2.gz ZQURGCUOJZIJEC-UHFFFAOYSA-N 2 1 344.503 2.474 20 30 EEEDMP CC[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)Cc1cccc(C#N)c1 ZINC001390969267 1388925517 /nfs/dbraw/zinc/92/55/17/1388925517.db2.gz ZQURGCUOJZIJEC-UHFFFAOYSA-N 2 1 344.503 2.474 20 30 EEEDMP CC[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)Cc1cccc(C#N)c1 ZINC001390969267 1388925520 /nfs/dbraw/zinc/92/55/20/1388925520.db2.gz ZQURGCUOJZIJEC-UHFFFAOYSA-N 2 1 344.503 2.474 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001391111370 1389042266 /nfs/dbraw/zinc/04/22/66/1389042266.db2.gz MFLXIPOPMLVUSP-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001391111370 1389042274 /nfs/dbraw/zinc/04/22/74/1389042274.db2.gz MFLXIPOPMLVUSP-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001391111370 1389042279 /nfs/dbraw/zinc/04/22/79/1389042279.db2.gz MFLXIPOPMLVUSP-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)CCC1 ZINC001399876007 1395590574 /nfs/dbraw/zinc/59/05/74/1395590574.db2.gz WXIPPTQFELFTHR-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](C)C[NH2+]C ZINC001574735467 1403525544 /nfs/dbraw/zinc/52/55/44/1403525544.db2.gz JRELFFQBDNVMTK-GFCCVEGCSA-N 2 1 325.250 2.406 20 30 EEEDMP CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577627629 1403665621 /nfs/dbraw/zinc/66/56/21/1403665621.db2.gz JYVIIWBWIRDSRL-MSOLQXFVSA-N 2 1 328.460 2.131 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001755477719 1407512441 /nfs/dbraw/zinc/51/24/41/1407512441.db2.gz ZAMIWKUOZDMWIN-BRWVUGGUSA-N 2 1 330.476 2.205 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCCCC=C)C1 ZINC001100415369 1410653115 /nfs/dbraw/zinc/65/31/15/1410653115.db2.gz MZPGMYWFQXDXTR-ACBHZAAOSA-N 2 1 331.504 2.315 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCCCC=C)C1 ZINC001100415369 1410653120 /nfs/dbraw/zinc/65/31/20/1410653120.db2.gz MZPGMYWFQXDXTR-ACBHZAAOSA-N 2 1 331.504 2.315 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001100675844 1410694668 /nfs/dbraw/zinc/69/46/68/1410694668.db2.gz ADRQBXJJVQXJBP-QHGAOEGBSA-N 2 1 339.483 2.007 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001100675843 1410694862 /nfs/dbraw/zinc/69/48/62/1410694862.db2.gz ADRQBXJJVQXJBP-KKXNLOMOSA-N 2 1 339.483 2.007 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001168030982 782424007 /nfs/dbraw/zinc/42/40/07/782424007.db2.gz WMDKGAGLXJYXAU-MOPGFXCFSA-N 2 1 340.471 2.171 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461552 760933322 /nfs/dbraw/zinc/93/33/22/760933322.db2.gz KZSKBSVIEZUDNJ-IBGZPJMESA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CCC)[C@H]3C2(C)C)CC1 ZINC001087317077 761613476 /nfs/dbraw/zinc/61/34/76/761613476.db2.gz CFLQZJZWHDWJHZ-GUDVDZBRSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC(C)(C)C1 ZINC001089423665 769000726 /nfs/dbraw/zinc/00/07/26/769000726.db2.gz MPXXXKNTPDIFCX-INIZCTEOSA-N 2 1 338.455 2.496 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089560505 770357810 /nfs/dbraw/zinc/35/78/10/770357810.db2.gz ZMXMRCALBBWCLG-HUUCEWRRSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560505 770357823 /nfs/dbraw/zinc/35/78/23/770357823.db2.gz ZMXMRCALBBWCLG-HUUCEWRRSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560505 770357835 /nfs/dbraw/zinc/35/78/35/770357835.db2.gz ZMXMRCALBBWCLG-HUUCEWRRSA-N 2 1 327.900 2.297 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639840 773638141 /nfs/dbraw/zinc/63/81/41/773638141.db2.gz ZZXUIQLFLRCCFW-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089639840 773638144 /nfs/dbraw/zinc/63/81/44/773638144.db2.gz ZZXUIQLFLRCCFW-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001089639840 773638149 /nfs/dbraw/zinc/63/81/49/773638149.db2.gz ZZXUIQLFLRCCFW-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4nccn43)C[C@@H]2C1 ZINC000980143829 773940192 /nfs/dbraw/zinc/94/01/92/773940192.db2.gz PARPWRBULUDRQQ-BBWFWOEESA-N 2 1 336.439 2.188 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnc4c3CCCC4)C[C@@H]2C1 ZINC000980167272 773994869 /nfs/dbraw/zinc/99/48/69/773994869.db2.gz QMLRWKIGFKKJJN-BBWFWOEESA-N 2 1 342.487 2.165 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]2C1 ZINC000980167272 773994876 /nfs/dbraw/zinc/99/48/76/773994876.db2.gz QMLRWKIGFKKJJN-BBWFWOEESA-N 2 1 342.487 2.165 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]2C1 ZINC000980167272 773994883 /nfs/dbraw/zinc/99/48/83/773994883.db2.gz QMLRWKIGFKKJJN-BBWFWOEESA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001031742542 774206196 /nfs/dbraw/zinc/20/61/96/774206196.db2.gz JVWMBMXBBRBINZ-PXNSSMCTSA-N 2 1 339.483 2.202 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001108098523 783190330 /nfs/dbraw/zinc/19/03/30/783190330.db2.gz UTPDHKSMSBLYFZ-SFHVURJKSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001089805934 775956253 /nfs/dbraw/zinc/95/62/53/775956253.db2.gz MFJINDDJYJEBFR-RDGPPVDQSA-N 2 1 343.515 2.053 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000997606921 790428127 /nfs/dbraw/zinc/42/81/27/790428127.db2.gz NGOMKCQVGMSUSR-QGZVFWFLSA-N 2 1 346.500 2.042 20 30 EEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997614485 790451600 /nfs/dbraw/zinc/45/16/00/790451600.db2.gz QYGFBUHPCXQWDN-PKOBYXMFSA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997619113 790457099 /nfs/dbraw/zinc/45/70/99/790457099.db2.gz XHGWHOGNBBWPBN-RDJZCZTQSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997618075 790455889 /nfs/dbraw/zinc/45/58/89/790455889.db2.gz KVOBHVWEJMBKNO-DOTOQJQBSA-N 2 1 328.460 2.001 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089819379 776799422 /nfs/dbraw/zinc/79/94/22/776799422.db2.gz GOUBWXSPBGUXCC-MHORFTMASA-N 2 1 331.504 2.216 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000981365776 777260998 /nfs/dbraw/zinc/26/09/98/777260998.db2.gz YDAQFBBUFCONQN-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000981365776 777261006 /nfs/dbraw/zinc/26/10/06/777261006.db2.gz YDAQFBBUFCONQN-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC000981365776 777261016 /nfs/dbraw/zinc/26/10/16/777261016.db2.gz YDAQFBBUFCONQN-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC000981365776 777261026 /nfs/dbraw/zinc/26/10/26/777261026.db2.gz YDAQFBBUFCONQN-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CCN1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981815194 778249608 /nfs/dbraw/zinc/24/96/08/778249608.db2.gz VBDIGDNJOHLTMX-IBGZPJMESA-N 2 1 331.504 2.341 20 30 EEEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981815194 778249613 /nfs/dbraw/zinc/24/96/13/778249613.db2.gz VBDIGDNJOHLTMX-IBGZPJMESA-N 2 1 331.504 2.341 20 30 EEEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981815194 778249619 /nfs/dbraw/zinc/24/96/19/778249619.db2.gz VBDIGDNJOHLTMX-IBGZPJMESA-N 2 1 331.504 2.341 20 30 EEEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000981815194 778249625 /nfs/dbraw/zinc/24/96/25/778249625.db2.gz VBDIGDNJOHLTMX-IBGZPJMESA-N 2 1 331.504 2.341 20 30 EEEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981815194 778249628 /nfs/dbraw/zinc/24/96/28/778249628.db2.gz VBDIGDNJOHLTMX-IBGZPJMESA-N 2 1 331.504 2.341 20 30 EEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000982071610 779056244 /nfs/dbraw/zinc/05/62/44/779056244.db2.gz MSEZNWZNQMAMTQ-UHFFFAOYSA-N 2 1 327.472 2.472 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729636 780114516 /nfs/dbraw/zinc/11/45/16/780114516.db2.gz FSPJLUZAIFBCEX-RBUKOAKNSA-N 2 1 329.488 2.487 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001203437242 781497378 /nfs/dbraw/zinc/49/73/78/781497378.db2.gz HZDQNLAUBOBRMR-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001088316229 783486055 /nfs/dbraw/zinc/48/60/55/783486055.db2.gz URAGLIFJMQVGCJ-IRXDYDNUSA-N 2 1 330.476 2.391 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135980179 784906279 /nfs/dbraw/zinc/90/62/79/784906279.db2.gz MDTUYQXFSJTXPV-CABCVRRESA-N 2 1 348.466 2.412 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135980920 784907733 /nfs/dbraw/zinc/90/77/33/784907733.db2.gz UXGPNSBFDXHKSR-HUUCEWRRSA-N 2 1 348.466 2.412 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035720596 785015619 /nfs/dbraw/zinc/01/56/19/785015619.db2.gz LBKJKGCSAVFJKA-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001036195457 785968247 /nfs/dbraw/zinc/96/82/47/785968247.db2.gz RPMBQBPZRLSHSS-NVXWUHKLSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299808 786234310 /nfs/dbraw/zinc/23/43/10/786234310.db2.gz DOFVMHKSOGAJJZ-RDTXWAMCSA-N 2 1 325.472 2.212 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC000996684517 787131655 /nfs/dbraw/zinc/13/16/55/787131655.db2.gz KBCKKIXKBHCZAK-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC000996684517 787131657 /nfs/dbraw/zinc/13/16/57/787131657.db2.gz KBCKKIXKBHCZAK-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000997005206 788433359 /nfs/dbraw/zinc/43/33/59/788433359.db2.gz HQADTNRUUDXYOL-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997188646 789387571 /nfs/dbraw/zinc/38/75/71/789387571.db2.gz SYZUAPIKPZJVIO-CQSZACIVSA-N 2 1 334.464 2.143 20 30 EEEDMP C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)[C@@H]1CCC[NH3+] ZINC000923388359 789484571 /nfs/dbraw/zinc/48/45/71/789484571.db2.gz IWDJOTGFKSLPRU-BPQIPLTHSA-N 2 1 331.460 2.137 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946901871 789565555 /nfs/dbraw/zinc/56/55/55/789565555.db2.gz GXVWQYCKVVEMKZ-MKXGPGLRSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@H]12 ZINC000992194195 793168814 /nfs/dbraw/zinc/16/88/14/793168814.db2.gz WYJXKRTZDMEUBB-IMFGXOCKSA-N 2 1 342.487 2.443 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@H]12 ZINC000992194195 793168821 /nfs/dbraw/zinc/16/88/21/793168821.db2.gz WYJXKRTZDMEUBB-IMFGXOCKSA-N 2 1 342.487 2.443 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106112616 793287325 /nfs/dbraw/zinc/28/73/25/793287325.db2.gz OKWDNLFCZDKSTQ-BMFZPTHFSA-N 2 1 327.900 2.296 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992316031 793642009 /nfs/dbraw/zinc/64/20/09/793642009.db2.gz LSCCSBCTEABLPB-PZJWPPBQSA-N 2 1 339.483 2.498 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)[C@H](C)C1 ZINC001092742632 794288173 /nfs/dbraw/zinc/28/81/73/794288173.db2.gz XYSZIBXQTFVXFY-BRWVUGGUSA-N 2 1 330.476 2.096 20 30 EEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092987531 794512606 /nfs/dbraw/zinc/51/26/06/794512606.db2.gz SJPGOQAAICHZFN-AFYVEPGGSA-N 2 1 341.499 2.202 20 30 EEEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092987531 794512611 /nfs/dbraw/zinc/51/26/11/794512611.db2.gz SJPGOQAAICHZFN-AFYVEPGGSA-N 2 1 341.499 2.202 20 30 EEEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092987531 794512616 /nfs/dbraw/zinc/51/26/16/794512616.db2.gz SJPGOQAAICHZFN-AFYVEPGGSA-N 2 1 341.499 2.202 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717579 794611522 /nfs/dbraw/zinc/61/15/22/794611522.db2.gz YBTKKWJKGUKPSB-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2[N@H+](CC)CC23CCC3)CC1 ZINC001093371349 795102777 /nfs/dbraw/zinc/10/27/77/795102777.db2.gz PALRVGGNDFFFJQ-RBUKOAKNSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001093371349 795102781 /nfs/dbraw/zinc/10/27/81/795102781.db2.gz PALRVGGNDFFFJQ-RBUKOAKNSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2[NH+](CC)CC23CCC3)CC1 ZINC001093371349 795102785 /nfs/dbraw/zinc/10/27/85/795102785.db2.gz PALRVGGNDFFFJQ-RBUKOAKNSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2[NH+](CC)CC23CCC3)CC1 ZINC001093371349 795102788 /nfs/dbraw/zinc/10/27/88/795102788.db2.gz PALRVGGNDFFFJQ-RBUKOAKNSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093383806 795126908 /nfs/dbraw/zinc/12/69/08/795126908.db2.gz PDVJMABQSBIPPY-MOPGFXCFSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093383806 795126915 /nfs/dbraw/zinc/12/69/15/795126915.db2.gz PDVJMABQSBIPPY-MOPGFXCFSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093383806 795126922 /nfs/dbraw/zinc/12/69/22/795126922.db2.gz PDVJMABQSBIPPY-MOPGFXCFSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC/C=C/CC)[C@H](C)C1 ZINC001106266404 795312020 /nfs/dbraw/zinc/31/20/20/795312020.db2.gz ICLHWARBNMNBTL-IWOQZAADSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC/C=C/CC)[C@H](C)C1 ZINC001106266404 795312025 /nfs/dbraw/zinc/31/20/25/795312025.db2.gz ICLHWARBNMNBTL-IWOQZAADSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036858722 795508173 /nfs/dbraw/zinc/50/81/73/795508173.db2.gz DBQVBSKZJHOZHJ-RTBURBONSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871139 795596173 /nfs/dbraw/zinc/59/61/73/795596173.db2.gz HDGOFBMXNVNJAB-DOTOQJQBSA-N 2 1 328.460 2.260 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871139 795596178 /nfs/dbraw/zinc/59/61/78/795596178.db2.gz HDGOFBMXNVNJAB-DOTOQJQBSA-N 2 1 328.460 2.260 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC3CCC3)C2)CC1 ZINC001036903150 796441795 /nfs/dbraw/zinc/44/17/95/796441795.db2.gz WPBWUCVCZLFSRB-WOJBJXKFSA-N 2 1 343.515 2.055 20 30 EEEDMP C[C@H](CCCC#N)[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001172499817 797010409 /nfs/dbraw/zinc/01/04/09/797010409.db2.gz UIECAKMISINOIH-MRXNPFEDSA-N 2 1 343.475 2.127 20 30 EEEDMP C[C@H](CCCC#N)[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001172499817 797010416 /nfs/dbraw/zinc/01/04/16/797010416.db2.gz UIECAKMISINOIH-MRXNPFEDSA-N 2 1 343.475 2.127 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993820219 797050145 /nfs/dbraw/zinc/05/01/45/797050145.db2.gz JJDRZGOOTDSLNB-DOTOQJQBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993820219 797050151 /nfs/dbraw/zinc/05/01/51/797050151.db2.gz JJDRZGOOTDSLNB-DOTOQJQBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070472 797056912 /nfs/dbraw/zinc/05/69/12/797056912.db2.gz KPCHOHDTPRLDDN-QGZVFWFLSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCOC1CCC(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)CC1 ZINC001173323501 797359853 /nfs/dbraw/zinc/35/98/53/797359853.db2.gz ZEGSLXFQHWAWFR-UHFFFAOYSA-N 2 1 335.536 2.460 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082567925 797591349 /nfs/dbraw/zinc/59/13/49/797591349.db2.gz LWQOKGGXTUHTSC-QRQLOZEOSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082567925 797591356 /nfs/dbraw/zinc/59/13/56/797591356.db2.gz LWQOKGGXTUHTSC-QRQLOZEOSA-N 2 1 329.488 2.021 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403102 798199094 /nfs/dbraw/zinc/19/90/94/798199094.db2.gz FULBMWUXIVCXQT-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403102 798199098 /nfs/dbraw/zinc/19/90/98/798199098.db2.gz FULBMWUXIVCXQT-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403102 798199101 /nfs/dbraw/zinc/19/91/01/798199101.db2.gz FULBMWUXIVCXQT-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089405945 798415361 /nfs/dbraw/zinc/41/53/61/798415361.db2.gz FLFOFSXTZPLFBF-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101680 798674845 /nfs/dbraw/zinc/67/48/45/798674845.db2.gz YXOKBVQFEQABMR-NZSAHSFTSA-N 2 1 327.472 2.398 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101680 798674848 /nfs/dbraw/zinc/67/48/48/798674848.db2.gz YXOKBVQFEQABMR-NZSAHSFTSA-N 2 1 327.472 2.398 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176986404 798675582 /nfs/dbraw/zinc/67/55/82/798675582.db2.gz NBYDTTDNUXGEKX-SFHVURJKSA-N 2 1 328.460 2.029 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001177416238 798934111 /nfs/dbraw/zinc/93/41/11/798934111.db2.gz WZUMXGYMFPIFTJ-PKOBYXMFSA-N 2 1 333.520 2.206 20 30 EEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178536051 799512961 /nfs/dbraw/zinc/51/29/61/799512961.db2.gz OKFMDIQHZWRHQK-ROUUACIJSA-N 2 1 337.508 2.082 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179382906 799908929 /nfs/dbraw/zinc/90/89/29/799908929.db2.gz FFEXPDLNKVEVGP-ROUUACIJSA-N 2 1 339.524 2.186 20 30 EEEDMP C=CCC[NH+]1CCC(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001003639351 799941580 /nfs/dbraw/zinc/94/15/80/799941580.db2.gz PYWLBRYVFJEKCV-UHFFFAOYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001085333369 800374317 /nfs/dbraw/zinc/37/43/17/800374317.db2.gz MWNYWMVFXGYFDP-HUUCEWRRSA-N 2 1 327.900 2.488 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083235 801508544 /nfs/dbraw/zinc/50/85/44/801508544.db2.gz ZINYRSXJDCKIHM-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592242 801681014 /nfs/dbraw/zinc/68/10/14/801681014.db2.gz DTGBNLGDUBVTRT-YRPNKDGESA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592242 801681015 /nfs/dbraw/zinc/68/10/15/801681015.db2.gz DTGBNLGDUBVTRT-YRPNKDGESA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592242 801681020 /nfs/dbraw/zinc/68/10/20/801681020.db2.gz DTGBNLGDUBVTRT-YRPNKDGESA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001004462069 802134848 /nfs/dbraw/zinc/13/48/48/802134848.db2.gz CTDXTXKCVNKAJH-NUJGCVRESA-N 2 1 328.460 2.402 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001004525368 802295486 /nfs/dbraw/zinc/29/54/86/802295486.db2.gz GDVDKCWMSZRMLI-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001004525368 802295488 /nfs/dbraw/zinc/29/54/88/802295488.db2.gz GDVDKCWMSZRMLI-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001004525368 802295491 /nfs/dbraw/zinc/29/54/91/802295491.db2.gz GDVDKCWMSZRMLI-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2CN[C@H](C(=O)OC)C2)cc1 ZINC001169136633 803629376 /nfs/dbraw/zinc/62/93/76/803629376.db2.gz MODSJOZMVITOEU-FGTMMUONSA-N 2 1 329.444 2.325 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109473812 805513758 /nfs/dbraw/zinc/51/37/58/805513758.db2.gz GLHJLLIAIJUMMB-YDZRNGNQSA-N 2 1 349.519 2.031 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473812 805513760 /nfs/dbraw/zinc/51/37/60/805513760.db2.gz GLHJLLIAIJUMMB-YDZRNGNQSA-N 2 1 349.519 2.031 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCc1ccccc1Cl ZINC001129770791 810994457 /nfs/dbraw/zinc/99/44/57/810994457.db2.gz KKYRVCWZGFQMFV-SFHVURJKSA-N 2 1 347.890 2.076 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCc1ccccc1Cl ZINC001129770791 810994462 /nfs/dbraw/zinc/99/44/62/810994462.db2.gz KKYRVCWZGFQMFV-SFHVURJKSA-N 2 1 347.890 2.076 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001448973117 1093977212 /nfs/dbraw/zinc/97/72/12/1093977212.db2.gz DTGPPWZLJYQAPM-UONOGXRCSA-N 2 1 346.313 2.206 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001448983530 1093987342 /nfs/dbraw/zinc/98/73/42/1093987342.db2.gz RSULWASLBBCYKZ-KBXCAEBGSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001441670724 1095644128 /nfs/dbraw/zinc/64/41/28/1095644128.db2.gz FDKMGVMXHWOIDV-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001444457033 1099107767 /nfs/dbraw/zinc/10/77/67/1099107767.db2.gz ZFLOZODYQQYABY-YOEHRIQHSA-N 2 1 348.516 2.336 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001496370338 1100963601 /nfs/dbraw/zinc/96/36/01/1100963601.db2.gz UGQSBGLHTUAWHM-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001495574322 1101283483 /nfs/dbraw/zinc/28/34/83/1101283483.db2.gz XJBWZNRWCPJMDJ-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2F)CCC1 ZINC001502018882 1113561249 /nfs/dbraw/zinc/56/12/49/1113561249.db2.gz CRPWXBKHZKJFRP-UHFFFAOYSA-N 2 1 346.450 2.168 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H](CNCc2cnc3c(C#N)cnn3c2)C1 ZINC000581944032 324347202 /nfs/dbraw/zinc/34/72/02/324347202.db2.gz NEQSDKNJTZJMPB-OAHLLOKOSA-N 2 1 326.448 2.059 20 30 EEEDMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000581944032 324347210 /nfs/dbraw/zinc/34/72/10/324347210.db2.gz NEQSDKNJTZJMPB-OAHLLOKOSA-N 2 1 326.448 2.059 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000581944032 324347214 /nfs/dbraw/zinc/34/72/14/324347214.db2.gz NEQSDKNJTZJMPB-OAHLLOKOSA-N 2 1 326.448 2.059 20 30 EEEDMP C[N@@H+](CCCO)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000156408832 463020513 /nfs/dbraw/zinc/02/05/13/463020513.db2.gz MVWGGYUVKPVOOG-UHFFFAOYSA-N 2 1 331.460 2.106 20 30 EEEDMP C=CCc1cc(C[N@@H+](CCO)C2CCN(C)CC2)cc(OC)c1O ZINC000269352924 463962280 /nfs/dbraw/zinc/96/22/80/463962280.db2.gz KZXCEEYWTJPTKV-UHFFFAOYSA-N 2 1 334.460 2.018 20 30 EEEDMP C=CCc1cc(CN(CCO)C2CC[NH+](C)CC2)cc(OC)c1O ZINC000269352924 463962282 /nfs/dbraw/zinc/96/22/82/463962282.db2.gz KZXCEEYWTJPTKV-UHFFFAOYSA-N 2 1 334.460 2.018 20 30 EEEDMP Cc1c[nH+]ccc1OC1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000278512726 463968104 /nfs/dbraw/zinc/96/81/04/463968104.db2.gz BPIBOONYCPGUEQ-LJQANCHMSA-N 2 1 344.459 2.288 20 30 EEEDMP COCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270547566 464260488 /nfs/dbraw/zinc/26/04/88/464260488.db2.gz FFAPPXDIYJQNPT-DOMZBBRYSA-N 2 1 342.846 2.023 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000173600818 464292248 /nfs/dbraw/zinc/29/22/48/464292248.db2.gz TXSVWQXKJAGFMB-SFHVURJKSA-N 2 1 341.499 2.358 20 30 EEEDMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1ccccc1 ZINC000285083021 464449040 /nfs/dbraw/zinc/44/90/40/464449040.db2.gz NJTZTJGDPZVVHW-WMZOPIPTSA-N 2 1 339.443 2.270 20 30 EEEDMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1ccccc1 ZINC000285083021 464449045 /nfs/dbraw/zinc/44/90/45/464449045.db2.gz NJTZTJGDPZVVHW-WMZOPIPTSA-N 2 1 339.443 2.270 20 30 EEEDMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1C#N ZINC000281850338 464608103 /nfs/dbraw/zinc/60/81/03/464608103.db2.gz ZDWCYGFSFCUGBD-OALUTQOASA-N 2 1 343.471 2.424 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000175742389 464614134 /nfs/dbraw/zinc/61/41/34/464614134.db2.gz CFXIJMJFNLXUCM-UHFFFAOYSA-N 2 1 348.466 2.207 20 30 EEEDMP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329891101 465463511 /nfs/dbraw/zinc/46/35/11/465463511.db2.gz HISGVHNRFAJCLC-INIZCTEOSA-N 2 1 333.480 2.071 20 30 EEEDMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C#N ZINC000363509651 466448424 /nfs/dbraw/zinc/44/84/24/466448424.db2.gz HSOBYAJIOFVBPJ-IBGZPJMESA-N 2 1 342.487 2.167 20 30 EEEDMP C#CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377633566 467101774 /nfs/dbraw/zinc/10/17/74/467101774.db2.gz VIRXTGUDRYTXMD-HXUWFJFHSA-N 2 1 341.499 2.299 20 30 EEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000429232391 467314127 /nfs/dbraw/zinc/31/41/27/467314127.db2.gz AXLYRQSYTGNYQK-HNNXBMFYSA-N 2 1 331.464 2.108 20 30 EEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000429232391 467314129 /nfs/dbraw/zinc/31/41/29/467314129.db2.gz AXLYRQSYTGNYQK-HNNXBMFYSA-N 2 1 331.464 2.108 20 30 EEEDMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615350 468934031 /nfs/dbraw/zinc/93/40/31/468934031.db2.gz XBOHKXVXAVHGFL-MSOLQXFVSA-N 2 1 330.476 2.136 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000110871989 526928623 /nfs/dbraw/zinc/92/86/23/526928623.db2.gz LNPUZRQYXIBXBD-UHFFFAOYSA-N 2 1 341.499 2.488 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000291923135 526931746 /nfs/dbraw/zinc/93/17/46/526931746.db2.gz RWERIFDWZUNICJ-PXNSSMCTSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000730097319 576714336 /nfs/dbraw/zinc/71/43/36/576714336.db2.gz PUZOTLGFERRNLS-PMACEKPBSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000730097319 576714337 /nfs/dbraw/zinc/71/43/37/576714337.db2.gz PUZOTLGFERRNLS-PMACEKPBSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000773450554 577343839 /nfs/dbraw/zinc/34/38/39/577343839.db2.gz QZRJBIRSJQJRKK-VQTJNVASSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000773450554 577343842 /nfs/dbraw/zinc/34/38/42/577343842.db2.gz QZRJBIRSJQJRKK-VQTJNVASSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000773450554 577343845 /nfs/dbraw/zinc/34/38/45/577343845.db2.gz QZRJBIRSJQJRKK-VQTJNVASSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000773450554 577343848 /nfs/dbraw/zinc/34/38/48/577343848.db2.gz QZRJBIRSJQJRKK-VQTJNVASSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752310785 577768948 /nfs/dbraw/zinc/76/89/48/577768948.db2.gz XBEBHWSUDRJOKM-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752310785 577768949 /nfs/dbraw/zinc/76/89/49/577768949.db2.gz XBEBHWSUDRJOKM-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039174000 675877048 /nfs/dbraw/zinc/87/70/48/675877048.db2.gz KMFMIIYVIQCVMK-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174000 675877049 /nfs/dbraw/zinc/87/70/49/675877049.db2.gz KMFMIIYVIQCVMK-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174000 675877050 /nfs/dbraw/zinc/87/70/50/675877050.db2.gz KMFMIIYVIQCVMK-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663189 676317959 /nfs/dbraw/zinc/31/79/59/676317959.db2.gz APDPFRXVDDESNP-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663189 676317960 /nfs/dbraw/zinc/31/79/60/676317960.db2.gz APDPFRXVDDESNP-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001022221183 676742760 /nfs/dbraw/zinc/74/27/60/676742760.db2.gz ZPKWHGMXLTXLQJ-XSYGEPLQSA-N 2 1 339.483 2.390 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001022221183 676742763 /nfs/dbraw/zinc/74/27/63/676742763.db2.gz ZPKWHGMXLTXLQJ-XSYGEPLQSA-N 2 1 339.483 2.390 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971800729 676811463 /nfs/dbraw/zinc/81/14/63/676811463.db2.gz LYBQAWXIWVVXFE-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971800729 676811465 /nfs/dbraw/zinc/81/14/65/676811465.db2.gz LYBQAWXIWVVXFE-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971800729 676811468 /nfs/dbraw/zinc/81/14/68/676811468.db2.gz LYBQAWXIWVVXFE-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001023130687 679137448 /nfs/dbraw/zinc/13/74/48/679137448.db2.gz ZRMKVFKZHLABOK-VBQJREDUSA-N 2 1 346.500 2.231 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001023130955 679137611 /nfs/dbraw/zinc/13/76/11/679137611.db2.gz PAWZPJRFMDOMMW-CEXWTWQISA-N 2 1 340.471 2.169 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001023481688 679334820 /nfs/dbraw/zinc/33/48/20/679334820.db2.gz LNCGATIPEGTUAG-INIZCTEOSA-N 2 1 339.443 2.285 20 30 EEEDMP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261730100 681707642 /nfs/dbraw/zinc/70/76/42/681707642.db2.gz LKIITQQFMFNYSA-QXAKKESOSA-N 2 1 348.535 2.185 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253868 682342634 /nfs/dbraw/zinc/34/26/34/682342634.db2.gz XOZYTARGHUWFAC-ZWKOTPCHSA-N 2 1 328.460 2.060 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253868 682342638 /nfs/dbraw/zinc/34/26/38/682342638.db2.gz XOZYTARGHUWFAC-ZWKOTPCHSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293925 682404003 /nfs/dbraw/zinc/40/40/03/682404003.db2.gz GVXWUINOVGBSLC-ZWKOTPCHSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293925 682404004 /nfs/dbraw/zinc/40/40/04/682404004.db2.gz GVXWUINOVGBSLC-ZWKOTPCHSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000983905996 683754814 /nfs/dbraw/zinc/75/48/14/683754814.db2.gz PEULKUULSXTYCY-FHWLQOOXSA-N 2 1 329.488 2.069 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000983905996 683754818 /nfs/dbraw/zinc/75/48/18/683754818.db2.gz PEULKUULSXTYCY-FHWLQOOXSA-N 2 1 329.488 2.069 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975059975 686089278 /nfs/dbraw/zinc/08/92/78/686089278.db2.gz IEVRSSIGJWLUMQ-GOSISDBHSA-N 2 1 329.488 2.417 20 30 EEEDMP CCO[C@@H]1C[C@H](NC(N[C@H]2CC[N@@H+](C3CC3)C2)=[NH+]C)C12CCCC2 ZINC000262477315 686278777 /nfs/dbraw/zinc/27/87/77/686278777.db2.gz ZXMKQJUBSSBNGM-BHYGNILZSA-N 2 1 334.508 2.126 20 30 EEEDMP CCO[C@@H]1C[C@H](NC(N[C@H]2CC[N@H+](C3CC3)C2)=[NH+]C)C12CCCC2 ZINC000262477315 686278782 /nfs/dbraw/zinc/27/87/82/686278782.db2.gz ZXMKQJUBSSBNGM-BHYGNILZSA-N 2 1 334.508 2.126 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2cc(C)ccc12 ZINC000303984769 686964800 /nfs/dbraw/zinc/96/48/00/686964800.db2.gz SKEMGRRCJXOETP-INIZCTEOSA-N 2 1 327.476 2.407 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000985793385 687704794 /nfs/dbraw/zinc/70/47/94/687704794.db2.gz QYSNIKOTLBOKLY-UHFFFAOYSA-N 2 1 346.500 2.138 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001009630596 688071539 /nfs/dbraw/zinc/07/15/39/688071539.db2.gz XMIBQJBZBXGFPF-HXUWFJFHSA-N 2 1 343.515 2.413 20 30 EEEDMP C=C(Cl)CN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990763640 693627299 /nfs/dbraw/zinc/62/72/99/693627299.db2.gz OLGTUXVRCIQABO-PNBKFKSVSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990763640 693627304 /nfs/dbraw/zinc/62/73/04/693627304.db2.gz OLGTUXVRCIQABO-PNBKFKSVSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990763640 693627306 /nfs/dbraw/zinc/62/73/06/693627306.db2.gz OLGTUXVRCIQABO-PNBKFKSVSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990763640 693627310 /nfs/dbraw/zinc/62/73/10/693627310.db2.gz OLGTUXVRCIQABO-PNBKFKSVSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990763640 693627313 /nfs/dbraw/zinc/62/73/13/693627313.db2.gz OLGTUXVRCIQABO-PNBKFKSVSA-N 2 1 325.884 2.192 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1cccc(C#N)c1 ZINC001480920743 1178356117 /nfs/dbraw/zinc/35/61/17/1178356117.db2.gz XDZVBOHKJPTIEH-IBGZPJMESA-N 2 1 342.487 2.369 20 30 EEEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001480920743 1178356124 /nfs/dbraw/zinc/35/61/24/1178356124.db2.gz XDZVBOHKJPTIEH-IBGZPJMESA-N 2 1 342.487 2.369 20 30 EEEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001480920743 1178356130 /nfs/dbraw/zinc/35/61/30/1178356130.db2.gz XDZVBOHKJPTIEH-IBGZPJMESA-N 2 1 342.487 2.369 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001089891079 1192908520 /nfs/dbraw/zinc/90/85/20/1192908520.db2.gz WOIQHQWUOFXNJD-XPYUAMARSA-N 2 1 340.471 2.116 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001089891079 1192908522 /nfs/dbraw/zinc/90/85/22/1192908522.db2.gz WOIQHQWUOFXNJD-XPYUAMARSA-N 2 1 340.471 2.116 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001088381962 1186749996 /nfs/dbraw/zinc/74/99/96/1186749996.db2.gz QQEJVBCDWDYXEB-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001105446402 1187198476 /nfs/dbraw/zinc/19/84/76/1187198476.db2.gz KJQKOUQKJLXKDM-QFUCXCTJSA-N 2 1 341.499 2.320 20 30 EEEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[C@H]1CC[N@H+](C)C1)CCO2 ZINC001105485541 1188102289 /nfs/dbraw/zinc/10/22/89/1188102289.db2.gz METIAYWUSVTPDF-PGYGNJIDSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576479 1188190713 /nfs/dbraw/zinc/19/07/13/1188190713.db2.gz FHRVPTDMLBKJEK-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001483957547 1191131057 /nfs/dbraw/zinc/13/10/57/1191131057.db2.gz IOSYMBXDDXTXID-KRWDZBQOSA-N 2 1 335.879 2.452 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001483957547 1191131059 /nfs/dbraw/zinc/13/10/59/1191131059.db2.gz IOSYMBXDDXTXID-KRWDZBQOSA-N 2 1 335.879 2.452 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033938977 1195562810 /nfs/dbraw/zinc/56/28/10/1195562810.db2.gz DRVKJOKTQRSZHO-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033938977 1195562812 /nfs/dbraw/zinc/56/28/12/1195562812.db2.gz DRVKJOKTQRSZHO-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524118 1196327754 /nfs/dbraw/zinc/32/77/54/1196327754.db2.gz DKMCSTIRSNEWFK-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524118 1196327757 /nfs/dbraw/zinc/32/77/57/1196327757.db2.gz DKMCSTIRSNEWFK-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524118 1196327760 /nfs/dbraw/zinc/32/77/60/1196327760.db2.gz DKMCSTIRSNEWFK-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524118 1196327764 /nfs/dbraw/zinc/32/77/64/1196327764.db2.gz DKMCSTIRSNEWFK-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001034611102 1196433017 /nfs/dbraw/zinc/43/30/17/1196433017.db2.gz HBSAAYMIAQLRGU-GUDVDZBRSA-N 2 1 340.471 2.169 20 30 EEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000876723908 1199741171 /nfs/dbraw/zinc/74/11/71/1199741171.db2.gz ZTJMDLQOWGWOTH-DLBZAZTESA-N 2 1 335.879 2.409 20 30 EEEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccc(C#N)nc3)C2)C1 ZINC001275295309 1205301103 /nfs/dbraw/zinc/30/11/03/1205301103.db2.gz GENQDHUMECAEIX-FQEVSTJZSA-N 2 1 341.503 2.193 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3ccnc3C1)C2 ZINC001095646399 1205901727 /nfs/dbraw/zinc/90/17/27/1205901727.db2.gz ZYEQBAHLQFUGJL-NCOADZHNSA-N 2 1 328.460 2.133 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=C)Cl)[C@@H](C)C2)CC1 ZINC000948070530 1208854061 /nfs/dbraw/zinc/85/40/61/1208854061.db2.gz QBGKNWFQKKQTAN-DOTOQJQBSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=C)Cl)[C@@H](C)C2)CC1 ZINC000948070530 1208854065 /nfs/dbraw/zinc/85/40/65/1208854065.db2.gz QBGKNWFQKKQTAN-DOTOQJQBSA-N 2 1 337.895 2.053 20 30 EEEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281317 1209357959 /nfs/dbraw/zinc/35/79/59/1209357959.db2.gz MWJKPFYHNIOGPX-KURKYZTESA-N 2 1 339.524 2.257 20 30 EEEDMP C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)CCc3c[nH]cn3)CC2)C1 ZINC000949382838 1209658772 /nfs/dbraw/zinc/65/87/72/1209658772.db2.gz IUOXRQLAEDGGDB-UHFFFAOYSA-N 2 1 346.475 2.002 20 30 EEEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000949531229 1209730461 /nfs/dbraw/zinc/73/04/61/1209730461.db2.gz FHMLYQCEBXGDKE-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001095813498 1210419504 /nfs/dbraw/zinc/41/95/04/1210419504.db2.gz RYAQMASEWGBPIY-HOJAQTOUSA-N 2 1 339.483 2.149 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC001114739970 1215159315 /nfs/dbraw/zinc/15/93/15/1215159315.db2.gz YJGBQXMXDNEVOY-QMCVQRASSA-N 2 1 331.460 2.356 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957555663 1215205997 /nfs/dbraw/zinc/20/59/97/1215205997.db2.gz IQKVJXQTMGFVMW-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000304751998 1216102659 /nfs/dbraw/zinc/10/26/59/1216102659.db2.gz JUKOHUVOVOMFQU-OALUTQOASA-N 3 1 343.519 2.040 20 30 EEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000304751998 1216102660 /nfs/dbraw/zinc/10/26/60/1216102660.db2.gz JUKOHUVOVOMFQU-OALUTQOASA-N 3 1 343.519 2.040 20 30 EEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000304751998 1216102663 /nfs/dbraw/zinc/10/26/63/1216102663.db2.gz JUKOHUVOVOMFQU-OALUTQOASA-N 3 1 343.519 2.040 20 30 EEEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN1Cc1ccccc1 ZINC000304751998 1216102666 /nfs/dbraw/zinc/10/26/66/1216102666.db2.gz JUKOHUVOVOMFQU-OALUTQOASA-N 2 1 343.519 2.040 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN1Cc1ccccc1 ZINC000304751998 1216102669 /nfs/dbraw/zinc/10/26/69/1216102669.db2.gz JUKOHUVOVOMFQU-OALUTQOASA-N 2 1 343.519 2.040 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000960305253 1216483400 /nfs/dbraw/zinc/48/34/00/1216483400.db2.gz WTQKWSLKBVISOK-QKYXUNIQSA-N 2 1 327.472 2.276 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961260101 1217115622 /nfs/dbraw/zinc/11/56/22/1217115622.db2.gz KAYWKCLSKIGQCO-PMACEKPBSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000961961875 1217423126 /nfs/dbraw/zinc/42/31/26/1217423126.db2.gz SJXZUNKRIXRLQO-CAOSSQGBSA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000961961875 1217423128 /nfs/dbraw/zinc/42/31/28/1217423128.db2.gz SJXZUNKRIXRLQO-CAOSSQGBSA-N 2 1 325.884 2.050 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963428217 1217622465 /nfs/dbraw/zinc/62/24/65/1217622465.db2.gz KEMFMBBTNNTYOO-OALUTQOASA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC000968956204 1221700583 /nfs/dbraw/zinc/70/05/83/1221700583.db2.gz DQYLDNWAGZLVHG-MSOLQXFVSA-N 2 1 345.512 2.153 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC000968956204 1221700587 /nfs/dbraw/zinc/70/05/87/1221700587.db2.gz DQYLDNWAGZLVHG-MSOLQXFVSA-N 2 1 345.512 2.153 20 30 EEEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000968997979 1221728537 /nfs/dbraw/zinc/72/85/37/1221728537.db2.gz HQTSLZYAJGHGCK-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000968997979 1221728540 /nfs/dbraw/zinc/72/85/40/1221728540.db2.gz HQTSLZYAJGHGCK-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000968997979 1221728543 /nfs/dbraw/zinc/72/85/43/1221728543.db2.gz HQTSLZYAJGHGCK-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005169 1221733084 /nfs/dbraw/zinc/73/30/84/1221733084.db2.gz MTIVRWSLCNDUGT-QGZVFWFLSA-N 2 1 331.460 2.339 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001016690379 1226783068 /nfs/dbraw/zinc/78/30/68/1226783068.db2.gz KCAXDAFEINMELY-GJZGRUSLSA-N 2 1 325.884 2.194 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001016792748 1226882659 /nfs/dbraw/zinc/88/26/59/1226882659.db2.gz ACPQPPQTBGRJEF-SJLPKXTDSA-N 2 1 342.487 2.301 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016923033 1226973291 /nfs/dbraw/zinc/97/32/91/1226973291.db2.gz HILGILVHOVEVBF-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020145850 1229509673 /nfs/dbraw/zinc/50/96/73/1229509673.db2.gz RHNUQYYNXFBRMF-MGPQQGTHSA-N 2 1 344.297 2.005 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001020251413 1229584040 /nfs/dbraw/zinc/58/40/40/1229584040.db2.gz LQGSWDVPXALJKM-QZHFEQFPSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001020251413 1229584041 /nfs/dbraw/zinc/58/40/41/1229584041.db2.gz LQGSWDVPXALJKM-QZHFEQFPSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCCC2)CC1 ZINC001039041249 1230257599 /nfs/dbraw/zinc/25/75/99/1230257599.db2.gz AWOXGLKSHMCETD-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230103 1230462932 /nfs/dbraw/zinc/46/29/32/1230462932.db2.gz PLCARGUPFSKFES-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230103 1230462935 /nfs/dbraw/zinc/46/29/35/1230462935.db2.gz PLCARGUPFSKFES-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039236944 1230469823 /nfs/dbraw/zinc/46/98/23/1230469823.db2.gz DSYCAAZUEUPNIR-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001039294834 1230513415 /nfs/dbraw/zinc/51/34/15/1230513415.db2.gz AGSGQMDLIJIQCR-IPQPSQTFSA-N 2 1 349.519 2.173 20 30 EEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001039294834 1230513420 /nfs/dbraw/zinc/51/34/20/1230513420.db2.gz AGSGQMDLIJIQCR-IPQPSQTFSA-N 2 1 349.519 2.173 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542365 1231283878 /nfs/dbraw/zinc/28/38/78/1231283878.db2.gz HHJLWDGNOYDTFU-HXUWFJFHSA-N 2 1 331.504 2.200 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040822830 1231380054 /nfs/dbraw/zinc/38/00/54/1231380054.db2.gz OKQGUHCBVBOLJB-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)CC1 ZINC001040925773 1231405410 /nfs/dbraw/zinc/40/54/10/1231405410.db2.gz XIZJHMSRXUQVSA-FQEVSTJZSA-N 2 1 331.504 2.363 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042304450 1232017242 /nfs/dbraw/zinc/01/72/42/1232017242.db2.gz NXPGUOWEOJQEKA-MJGOQNOKSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015755 1233588119 /nfs/dbraw/zinc/58/81/19/1233588119.db2.gz RFZKSJAFBHRNLH-PASDCYSWSA-N 2 1 337.483 2.497 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001096015755 1233588121 /nfs/dbraw/zinc/58/81/21/1233588121.db2.gz RFZKSJAFBHRNLH-PASDCYSWSA-N 2 1 337.483 2.497 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001096015755 1233588123 /nfs/dbraw/zinc/58/81/23/1233588123.db2.gz RFZKSJAFBHRNLH-PASDCYSWSA-N 2 1 337.483 2.497 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045950757 1234217012 /nfs/dbraw/zinc/21/70/12/1234217012.db2.gz KSNHBMXRHLIBRL-FQEVSTJZSA-N 2 1 343.515 2.343 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047242504 1235730683 /nfs/dbraw/zinc/73/06/83/1235730683.db2.gz SXSSAHZSFSMDDW-MISYRCLQSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001048511800 1237809355 /nfs/dbraw/zinc/80/93/55/1237809355.db2.gz IIMQHLOYKVFCAW-FZKCQIBNSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001048511800 1237809358 /nfs/dbraw/zinc/80/93/58/1237809358.db2.gz IIMQHLOYKVFCAW-FZKCQIBNSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001048511800 1237809366 /nfs/dbraw/zinc/80/93/66/1237809366.db2.gz IIMQHLOYKVFCAW-FZKCQIBNSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048563040 1237972348 /nfs/dbraw/zinc/97/23/48/1237972348.db2.gz TXBOXQGUVDGXKB-RKOFLFEYSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048563040 1237972349 /nfs/dbraw/zinc/97/23/49/1237972349.db2.gz TXBOXQGUVDGXKB-RKOFLFEYSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048563040 1237972359 /nfs/dbraw/zinc/97/23/59/1237972359.db2.gz TXBOXQGUVDGXKB-RKOFLFEYSA-N 2 1 339.911 2.296 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC001000149403 1239999439 /nfs/dbraw/zinc/99/94/39/1239999439.db2.gz LNRMTANEGABXIP-GOSISDBHSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049524075 1241240533 /nfs/dbraw/zinc/24/05/33/1241240533.db2.gz JAFBCWVPVJUNKH-BBWFWOEESA-N 2 1 328.460 2.402 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049524075 1241240542 /nfs/dbraw/zinc/24/05/42/1241240542.db2.gz JAFBCWVPVJUNKH-BBWFWOEESA-N 2 1 328.460 2.402 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762216 1242118966 /nfs/dbraw/zinc/11/89/66/1242118966.db2.gz OKUISAWCQJHHMG-IAGOWNOFSA-N 2 1 328.460 2.095 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762216 1242118971 /nfs/dbraw/zinc/11/89/71/1242118971.db2.gz OKUISAWCQJHHMG-IAGOWNOFSA-N 2 1 328.460 2.095 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820685 1242306931 /nfs/dbraw/zinc/30/69/31/1242306931.db2.gz MEIDMFQQDHBZAQ-RBUKOAKNSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CCC(=C)C)CC2)CC1 ZINC001001468391 1242331950 /nfs/dbraw/zinc/33/19/50/1242331950.db2.gz RENYLKRDAFZTBG-UHFFFAOYSA-N 2 1 329.488 2.046 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048609 1242720252 /nfs/dbraw/zinc/72/02/52/1242720252.db2.gz GIBLFEDCWKRYOV-CMKODMSKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048609 1242720268 /nfs/dbraw/zinc/72/02/68/1242720268.db2.gz GIBLFEDCWKRYOV-CMKODMSKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048609 1242720280 /nfs/dbraw/zinc/72/02/80/1242720280.db2.gz GIBLFEDCWKRYOV-CMKODMSKSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050662673 1244071686 /nfs/dbraw/zinc/07/16/86/1244071686.db2.gz LYMQKFDEVKIWKB-CQSZACIVSA-N 2 1 325.884 2.005 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097581185 1244382197 /nfs/dbraw/zinc/38/21/97/1244382197.db2.gz RYAQMASEWGBPIY-RLLQIKCJSA-N 2 1 339.483 2.149 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC[C@H](C)F)CC2)CC1 ZINC001052958382 1245556988 /nfs/dbraw/zinc/55/69/88/1245556988.db2.gz MPNKSAJDCAKPFZ-WMZOPIPTSA-N 2 1 337.483 2.050 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028336 1245710066 /nfs/dbraw/zinc/71/00/66/1245710066.db2.gz LDXQDKUXYBZGKW-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105331 1245921174 /nfs/dbraw/zinc/92/11/74/1245921174.db2.gz NDQJVANSMNXHCW-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)CO2 ZINC001053855231 1246916364 /nfs/dbraw/zinc/91/63/64/1246916364.db2.gz IGYGUWKWAWCBQA-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)CO2 ZINC001053855231 1246916369 /nfs/dbraw/zinc/91/63/69/1246916369.db2.gz IGYGUWKWAWCBQA-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052514099 1247460317 /nfs/dbraw/zinc/46/03/17/1247460317.db2.gz OSKWJCNNJQBKSO-HNNXBMFYSA-N 2 1 334.464 2.287 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052514099 1247460326 /nfs/dbraw/zinc/46/03/26/1247460326.db2.gz OSKWJCNNJQBKSO-HNNXBMFYSA-N 2 1 334.464 2.287 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164678 1247580972 /nfs/dbraw/zinc/58/09/72/1247580972.db2.gz PDJPUBZJHKTVDA-HXUWFJFHSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227032 1247777709 /nfs/dbraw/zinc/77/77/09/1247777709.db2.gz CIXHFXJTDYIKTL-FQEVSTJZSA-N 2 1 340.471 2.099 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001054227032 1247777713 /nfs/dbraw/zinc/77/77/13/1247777713.db2.gz CIXHFXJTDYIKTL-FQEVSTJZSA-N 2 1 340.471 2.099 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054228743 1247784100 /nfs/dbraw/zinc/78/41/00/1247784100.db2.gz YRQGGTBDESFBQQ-WMZOPIPTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054228743 1247784111 /nfs/dbraw/zinc/78/41/11/1247784111.db2.gz YRQGGTBDESFBQQ-WMZOPIPTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054228743 1247784118 /nfs/dbraw/zinc/78/41/18/1247784118.db2.gz YRQGGTBDESFBQQ-WMZOPIPTSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245600 1247862544 /nfs/dbraw/zinc/86/25/44/1247862544.db2.gz WNECTLUGHDKEDB-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](CC(=C)C)C3)C2)CC1 ZINC001054245308 1247863659 /nfs/dbraw/zinc/86/36/59/1247863659.db2.gz REUWRUIVCWWPFO-NRFANRHFSA-N 2 1 343.515 2.222 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071828789 1254691518 /nfs/dbraw/zinc/69/15/18/1254691518.db2.gz UHZXBSWSFYFINO-XLIONFOSSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099551793 1258200079 /nfs/dbraw/zinc/20/00/79/1258200079.db2.gz DEPOBXAGELOONT-HZMVEIRTSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551793 1258200084 /nfs/dbraw/zinc/20/00/84/1258200084.db2.gz DEPOBXAGELOONT-HZMVEIRTSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551793 1258200090 /nfs/dbraw/zinc/20/00/90/1258200090.db2.gz DEPOBXAGELOONT-HZMVEIRTSA-N 2 1 339.911 2.250 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001185659922 1278735114 /nfs/dbraw/zinc/73/51/14/1278735114.db2.gz TVNQPOUAQJFWLV-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424266 1282500961 /nfs/dbraw/zinc/50/09/61/1282500961.db2.gz KJESMQUPAJDWPD-RBUKOAKNSA-N 2 1 327.472 2.235 20 30 EEEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424266 1282500973 /nfs/dbraw/zinc/50/09/73/1282500973.db2.gz KJESMQUPAJDWPD-RBUKOAKNSA-N 2 1 327.472 2.235 20 30 EEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424266 1282500981 /nfs/dbraw/zinc/50/09/81/1282500981.db2.gz KJESMQUPAJDWPD-RBUKOAKNSA-N 2 1 327.472 2.235 20 30 EEEDMP C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CC[NH+](CC(C)C)CC1 ZINC000121586190 1289611791 /nfs/dbraw/zinc/61/17/91/1289611791.db2.gz AJPHXBKTCONTMB-AWEZNQCLSA-N 2 1 335.496 2.244 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001490420683 1291331000 /nfs/dbraw/zinc/33/10/00/1291331000.db2.gz CPSIZEYUTSYCIU-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214850445 1296619828 /nfs/dbraw/zinc/61/98/28/1296619828.db2.gz WRTWPOBDCMJKEY-QRQLOZEOSA-N 2 1 349.519 2.033 20 30 EEEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218558109 1297711506 /nfs/dbraw/zinc/71/15/06/1297711506.db2.gz UMYNMRGSVQWINV-ZWKOTPCHSA-N 2 1 339.524 2.210 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001111465336 1298848571 /nfs/dbraw/zinc/84/85/71/1298848571.db2.gz PXBKVQAESYYNRY-QRVBRYPASA-N 2 1 340.471 2.120 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001111465336 1298848589 /nfs/dbraw/zinc/84/85/89/1298848589.db2.gz PXBKVQAESYYNRY-QRVBRYPASA-N 2 1 340.471 2.120 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001111465336 1298848609 /nfs/dbraw/zinc/84/86/09/1298848609.db2.gz PXBKVQAESYYNRY-QRVBRYPASA-N 2 1 340.471 2.120 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001111465336 1298848625 /nfs/dbraw/zinc/84/86/25/1298848625.db2.gz PXBKVQAESYYNRY-QRVBRYPASA-N 2 1 340.471 2.120 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994127 1302040744 /nfs/dbraw/zinc/04/07/44/1302040744.db2.gz RNYAHFQYFJPFNZ-KBRIMQKVSA-N 2 1 339.911 2.155 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086405 1302193479 /nfs/dbraw/zinc/19/34/79/1302193479.db2.gz AMKHPKCLQPXHMZ-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086405 1302193484 /nfs/dbraw/zinc/19/34/84/1302193484.db2.gz AMKHPKCLQPXHMZ-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001103086405 1302193489 /nfs/dbraw/zinc/19/34/89/1302193489.db2.gz AMKHPKCLQPXHMZ-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001229291439 1302713145 /nfs/dbraw/zinc/71/31/45/1302713145.db2.gz DHPLJLZGDSGJJI-LJQANCHMSA-N 2 1 348.535 2.238 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495867 1303036025 /nfs/dbraw/zinc/03/60/25/1303036025.db2.gz WPCUXAJSIHPRAK-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495867 1303036032 /nfs/dbraw/zinc/03/60/32/1303036032.db2.gz WPCUXAJSIHPRAK-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001103495867 1303036039 /nfs/dbraw/zinc/03/60/39/1303036039.db2.gz WPCUXAJSIHPRAK-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001103631268 1303175378 /nfs/dbraw/zinc/17/53/78/1303175378.db2.gz FUHIMPAAPGEPEC-YLJYHZDGSA-N 2 1 345.531 2.206 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755849 1303300472 /nfs/dbraw/zinc/30/04/72/1303300472.db2.gz QGBBKODXKXJZKK-GUDVDZBRSA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230619199 1303327572 /nfs/dbraw/zinc/32/75/72/1303327572.db2.gz VZPUMPGCLKKKDB-LJQANCHMSA-N 2 1 333.520 2.445 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cccnc1 ZINC001230777622 1303448408 /nfs/dbraw/zinc/44/84/08/1303448408.db2.gz ALDLWIIRNAXPMZ-UHFFFAOYSA-N 2 1 344.503 2.450 20 30 EEEDMP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccc(Cl)c(C#N)c3)[C@@H]2C1 ZINC001277633789 1304047527 /nfs/dbraw/zinc/04/75/27/1304047527.db2.gz UXRQWGLUSFCKAE-MAUKXSAKSA-N 2 1 332.879 2.279 20 30 EEEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(Cl)c(C#N)c3)[C@@H]2C1 ZINC001277633789 1304047531 /nfs/dbraw/zinc/04/75/31/1304047531.db2.gz UXRQWGLUSFCKAE-MAUKXSAKSA-N 2 1 332.879 2.279 20 30 EEEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177521 1305177065 /nfs/dbraw/zinc/17/70/65/1305177065.db2.gz TWLOSVNGQPIENA-FUHWJXTLSA-N 2 1 334.508 2.237 20 30 EEEDMP CCCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235721077 1305349652 /nfs/dbraw/zinc/34/96/52/1305349652.db2.gz FPVLDQAPUUHLDX-FGTMMUONSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235721077 1305349664 /nfs/dbraw/zinc/34/96/64/1305349664.db2.gz FPVLDQAPUUHLDX-FGTMMUONSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001235721077 1305349675 /nfs/dbraw/zinc/34/96/75/1305349675.db2.gz FPVLDQAPUUHLDX-FGTMMUONSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001235721077 1305349685 /nfs/dbraw/zinc/34/96/85/1305349685.db2.gz FPVLDQAPUUHLDX-FGTMMUONSA-N 2 1 339.524 2.209 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)s1 ZINC001160867043 1320296121 /nfs/dbraw/zinc/29/61/21/1320296121.db2.gz DXXZQTZKLSKLSY-PBHICJAKSA-N 2 1 346.500 2.233 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001149738987 1316031096 /nfs/dbraw/zinc/03/10/96/1316031096.db2.gz HGZPHYGBPMLGMO-IRXDYDNUSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001149738987 1316031098 /nfs/dbraw/zinc/03/10/98/1316031098.db2.gz HGZPHYGBPMLGMO-IRXDYDNUSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150047295 1316137181 /nfs/dbraw/zinc/13/71/81/1316137181.db2.gz JELDJLQKCISFJA-QGZVFWFLSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001150185375 1316195586 /nfs/dbraw/zinc/19/55/86/1316195586.db2.gz DIYAPFRTQGCREL-QGZVFWFLSA-N 2 1 349.475 2.128 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001157091772 1318394309 /nfs/dbraw/zinc/39/43/09/1318394309.db2.gz AZCLMIVURXUMAL-CQSZACIVSA-N 2 1 347.425 2.111 20 30 EEEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001158165053 1319052099 /nfs/dbraw/zinc/05/20/99/1319052099.db2.gz QHMAXWYRWNGKGX-OAHLLOKOSA-N 2 1 334.464 2.239 20 30 EEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001158165053 1319052109 /nfs/dbraw/zinc/05/21/09/1319052109.db2.gz QHMAXWYRWNGKGX-OAHLLOKOSA-N 2 1 334.464 2.239 20 30 EEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001158289638 1319146405 /nfs/dbraw/zinc/14/64/05/1319146405.db2.gz JDLIZJDBIJQNAF-GOSISDBHSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285183 1320123110 /nfs/dbraw/zinc/12/31/10/1320123110.db2.gz DFYSWPBLJZMQKI-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285183 1320123113 /nfs/dbraw/zinc/12/31/13/1320123113.db2.gz DFYSWPBLJZMQKI-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285183 1320123117 /nfs/dbraw/zinc/12/31/17/1320123117.db2.gz DFYSWPBLJZMQKI-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001160688287 1320233483 /nfs/dbraw/zinc/23/34/83/1320233483.db2.gz AMHQMPIJQSTRGN-GOSISDBHSA-N 2 1 327.472 2.133 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001160688287 1320233487 /nfs/dbraw/zinc/23/34/87/1320233487.db2.gz AMHQMPIJQSTRGN-GOSISDBHSA-N 2 1 327.472 2.133 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160805032 1320275080 /nfs/dbraw/zinc/27/50/80/1320275080.db2.gz ZSSFXYTWCLJWLD-UHFFFAOYSA-N 2 1 331.504 2.413 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390803 1320485012 /nfs/dbraw/zinc/48/50/12/1320485012.db2.gz KBXLKYUFSABULQ-UHFFFAOYSA-N 2 1 349.519 2.059 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161445434 1320504154 /nfs/dbraw/zinc/50/41/54/1320504154.db2.gz RTZYVDGZPSTITG-RBUKOAKNSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161445434 1320504160 /nfs/dbraw/zinc/50/41/60/1320504160.db2.gz RTZYVDGZPSTITG-RBUKOAKNSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161445434 1320504161 /nfs/dbraw/zinc/50/41/61/1320504161.db2.gz RTZYVDGZPSTITG-RBUKOAKNSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947008 1320689311 /nfs/dbraw/zinc/68/93/11/1320689311.db2.gz RLPSWYAEVDDJEP-FQEVSTJZSA-N 2 1 339.483 2.451 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947008 1320689317 /nfs/dbraw/zinc/68/93/17/1320689317.db2.gz RLPSWYAEVDDJEP-FQEVSTJZSA-N 2 1 339.483 2.451 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[N@H+](C)CC ZINC001162848394 1320973052 /nfs/dbraw/zinc/97/30/52/1320973052.db2.gz HMSBGKCHILHSDL-UHFFFAOYSA-N 2 1 343.515 2.401 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC001164574563 1321422858 /nfs/dbraw/zinc/42/28/58/1321422858.db2.gz QOJYDHHLEOSWRD-HOCLYGCPSA-N 2 1 346.450 2.024 20 30 EEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001165465025 1321530427 /nfs/dbraw/zinc/53/04/27/1321530427.db2.gz QNISMFGGNSPOAZ-SFHVURJKSA-N 2 1 349.519 2.082 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F)CC(C)(C)C ZINC001166744030 1321779262 /nfs/dbraw/zinc/77/92/62/1321779262.db2.gz DIJSRGBEUCRGRD-UHFFFAOYSA-N 2 1 348.466 2.271 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001208454711 1324506796 /nfs/dbraw/zinc/50/67/96/1324506796.db2.gz ZXJOHIZEDKEOOM-GOSISDBHSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210214393 1325203133 /nfs/dbraw/zinc/20/31/33/1325203133.db2.gz YJFZWOOZJLMIFP-POAQFYNOSA-N 2 1 329.488 2.476 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210214393 1325203137 /nfs/dbraw/zinc/20/31/37/1325203137.db2.gz YJFZWOOZJLMIFP-POAQFYNOSA-N 2 1 329.488 2.476 20 30 EEEDMP N#Cc1cccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC001580076254 1344466477 /nfs/dbraw/zinc/46/64/77/1344466477.db2.gz SPFWZLXIYBDFDM-KRWDZBQOSA-N 2 1 326.444 2.208 20 30 EEEDMP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccccc3C#N)C[C@@]2(C)C1 ZINC000931307807 1369887936 /nfs/dbraw/zinc/88/79/36/1369887936.db2.gz OJLMXLIWJBZDOK-RTBURBONSA-N 2 1 326.444 2.160 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000838505937 1372851808 /nfs/dbraw/zinc/85/18/08/1372851808.db2.gz ISJCSRHEUNMIOO-UHFFFAOYSA-N 2 1 334.508 2.038 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001366221947 1373844528 /nfs/dbraw/zinc/84/45/28/1373844528.db2.gz UROMJTFYHQJIPD-CQSZACIVSA-N 2 1 346.313 2.208 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001369400054 1374532112 /nfs/dbraw/zinc/53/21/12/1374532112.db2.gz KMCRYVNQIJCLGM-PBHICJAKSA-N 2 1 346.450 2.118 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001373844110 1376561212 /nfs/dbraw/zinc/56/12/12/1376561212.db2.gz UWKKAFKQVKYPEB-INIZCTEOSA-N 2 1 346.500 2.233 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001374500979 1376880286 /nfs/dbraw/zinc/88/02/86/1376880286.db2.gz DZFBIYNSJIAIRP-QGZVFWFLSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001374500979 1376880282 /nfs/dbraw/zinc/88/02/82/1376880282.db2.gz DZFBIYNSJIAIRP-QGZVFWFLSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)s1 ZINC001374500979 1376880289 /nfs/dbraw/zinc/88/02/89/1376880289.db2.gz DZFBIYNSJIAIRP-QGZVFWFLSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001374500979 1376880292 /nfs/dbraw/zinc/88/02/92/1376880292.db2.gz DZFBIYNSJIAIRP-QGZVFWFLSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001380962765 1381468166 /nfs/dbraw/zinc/46/81/66/1381468166.db2.gz GFOKEVIJHAKLPR-SFHVURJKSA-N 2 1 348.466 2.318 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001393420570 1390434836 /nfs/dbraw/zinc/43/48/36/1390434836.db2.gz YKXSTTCGCWPMRG-IYBDPMFKSA-N 2 1 325.884 2.005 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001394122961 1390622699 /nfs/dbraw/zinc/62/26/99/1390622699.db2.gz GOZNPFRTOYLJLF-CRAIPNDOSA-N 2 1 330.476 2.081 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001397694451 1391430910 /nfs/dbraw/zinc/43/09/10/1391430910.db2.gz WJTSOZQDZVNIMH-JCNLHEQBSA-N 2 1 346.450 2.024 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001402004396 1397718510 /nfs/dbraw/zinc/71/85/10/1397718510.db2.gz MGVBYEMMTOXZKH-WBVHZDCISA-N 2 1 345.890 2.343 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001402004396 1397718513 /nfs/dbraw/zinc/71/85/13/1397718513.db2.gz MGVBYEMMTOXZKH-WBVHZDCISA-N 2 1 345.890 2.343 20 30 EEEDMP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CCC)CC1 ZINC001754638580 1406936983 /nfs/dbraw/zinc/93/69/83/1406936983.db2.gz CYNDDZMRVOOALU-IEBWSBKVSA-N 2 1 331.504 2.340 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001403072495 1398336837 /nfs/dbraw/zinc/33/68/37/1398336837.db2.gz OLLDFPOBOVVUNN-OAHLLOKOSA-N 2 1 339.443 2.138 20 30 EEEDMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001423071973 1400398987 /nfs/dbraw/zinc/39/89/87/1400398987.db2.gz BAENBOBTHHXZLB-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001755516991 1407571467 /nfs/dbraw/zinc/57/14/67/1407571467.db2.gz RAPIURWZJKIMON-DLBZAZTESA-N 2 1 342.487 2.275 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001167471536 759730746 /nfs/dbraw/zinc/73/07/46/759730746.db2.gz IWNOGBQOHNNRQA-UHFFFAOYSA-N 2 1 339.443 2.174 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440062 761374637 /nfs/dbraw/zinc/37/46/37/761374637.db2.gz KCZZTQZLXLIQOD-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440062 761374648 /nfs/dbraw/zinc/37/46/48/761374648.db2.gz KCZZTQZLXLIQOD-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440062 761374658 /nfs/dbraw/zinc/37/46/58/761374658.db2.gz KCZZTQZLXLIQOD-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488898 769769336 /nfs/dbraw/zinc/76/93/36/769769336.db2.gz ZULNAEOIADGCSM-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488898 769769347 /nfs/dbraw/zinc/76/93/47/769769347.db2.gz ZULNAEOIADGCSM-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488898 769769355 /nfs/dbraw/zinc/76/93/55/769769355.db2.gz ZULNAEOIADGCSM-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089510718 770026451 /nfs/dbraw/zinc/02/64/51/770026451.db2.gz DPKYMEMHROBIPC-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089510718 770026463 /nfs/dbraw/zinc/02/64/63/770026463.db2.gz DPKYMEMHROBIPC-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089510718 770026483 /nfs/dbraw/zinc/02/64/83/770026483.db2.gz DPKYMEMHROBIPC-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089564546 770408282 /nfs/dbraw/zinc/40/82/82/770408282.db2.gz BQPBBKNTETVETB-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564546 770408283 /nfs/dbraw/zinc/40/82/83/770408283.db2.gz BQPBBKNTETVETB-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564546 770408289 /nfs/dbraw/zinc/40/82/89/770408289.db2.gz BQPBBKNTETVETB-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639843 773638378 /nfs/dbraw/zinc/63/83/78/773638378.db2.gz ZZXUIQLFLRCCFW-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089639843 773638383 /nfs/dbraw/zinc/63/83/83/773638383.db2.gz ZZXUIQLFLRCCFW-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001089639843 773638385 /nfs/dbraw/zinc/63/83/85/773638385.db2.gz ZZXUIQLFLRCCFW-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980143931 773941743 /nfs/dbraw/zinc/94/17/43/773941743.db2.gz OKOOOOIOYKXQNJ-ARFHVFGLSA-N 2 1 336.867 2.161 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980143931 773941753 /nfs/dbraw/zinc/94/17/53/773941753.db2.gz OKOOOOIOYKXQNJ-ARFHVFGLSA-N 2 1 336.867 2.161 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001031740932 774186234 /nfs/dbraw/zinc/18/62/34/774186234.db2.gz OCYVUZGBLZPCCV-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001031740932 774186238 /nfs/dbraw/zinc/18/62/38/774186238.db2.gz OCYVUZGBLZPCCV-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000981420718 777358880 /nfs/dbraw/zinc/35/88/80/777358880.db2.gz HRJUUPDSVQEWNV-IAGOWNOFSA-N 2 1 339.443 2.474 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028102795 777665421 /nfs/dbraw/zinc/66/54/21/777665421.db2.gz GIWJSUUDMFBOHB-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028102795 777665424 /nfs/dbraw/zinc/66/54/24/777665424.db2.gz GIWJSUUDMFBOHB-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981814249 778241306 /nfs/dbraw/zinc/24/13/06/778241306.db2.gz ZNQOSCNPILEKQP-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981814249 778241313 /nfs/dbraw/zinc/24/13/13/778241313.db2.gz ZNQOSCNPILEKQP-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981814249 778241318 /nfs/dbraw/zinc/24/13/18/778241318.db2.gz ZNQOSCNPILEKQP-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981982074 778752611 /nfs/dbraw/zinc/75/26/11/778752611.db2.gz JRXMIMFZGBDBAP-UHFFFAOYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981982074 778752613 /nfs/dbraw/zinc/75/26/13/778752613.db2.gz JRXMIMFZGBDBAP-UHFFFAOYSA-N 2 1 325.884 2.005 20 30 EEEDMP N#Cc1c(NC(=[NH2+])NCCCC[NH3+])nc(Cl)cc1C(F)(F)F ZINC001167879699 778973110 /nfs/dbraw/zinc/97/31/10/778973110.db2.gz NPBLDBRWJWVGKQ-UHFFFAOYSA-N 2 1 334.733 2.301 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028342779 780832872 /nfs/dbraw/zinc/83/28/72/780832872.db2.gz GCSOHIKFNMHMJI-MRXNPFEDSA-N 2 1 331.460 2.339 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028342779 780832881 /nfs/dbraw/zinc/83/28/81/780832881.db2.gz GCSOHIKFNMHMJI-MRXNPFEDSA-N 2 1 331.460 2.339 20 30 EEEDMP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471129 783825464 /nfs/dbraw/zinc/82/54/64/783825464.db2.gz HICQUFNLCZNFBW-CABCVRRESA-N 2 1 334.464 2.333 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCC(C)C)C2)CC1 ZINC001035195350 784087392 /nfs/dbraw/zinc/08/73/92/784087392.db2.gz SZKIOHGUKGTSKX-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCC(C)C)C2)CC1 ZINC001035195350 784087397 /nfs/dbraw/zinc/08/73/97/784087397.db2.gz SZKIOHGUKGTSKX-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC(C)C)C2)CC1 ZINC001035195350 784087402 /nfs/dbraw/zinc/08/74/02/784087402.db2.gz SZKIOHGUKGTSKX-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC(C)C)C2)CC1 ZINC001035195350 784087409 /nfs/dbraw/zinc/08/74/09/784087409.db2.gz SZKIOHGUKGTSKX-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035217755 784145070 /nfs/dbraw/zinc/14/50/70/784145070.db2.gz YXFWLLRVZOLJSK-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217755 784145074 /nfs/dbraw/zinc/14/50/74/784145074.db2.gz YXFWLLRVZOLJSK-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217755 784145078 /nfs/dbraw/zinc/14/50/78/784145078.db2.gz YXFWLLRVZOLJSK-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035245344 784178827 /nfs/dbraw/zinc/17/88/27/784178827.db2.gz ODXPLQZFCSQXNH-UHFFFAOYSA-N 2 1 328.460 2.262 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035247268 784184452 /nfs/dbraw/zinc/18/44/52/784184452.db2.gz VLAGQYOHKZLPFY-MRXNPFEDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035247268 784184456 /nfs/dbraw/zinc/18/44/56/784184456.db2.gz VLAGQYOHKZLPFY-MRXNPFEDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035247268 784184461 /nfs/dbraw/zinc/18/44/61/784184461.db2.gz VLAGQYOHKZLPFY-MRXNPFEDSA-N 2 1 339.911 2.395 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135857007 784638432 /nfs/dbraw/zinc/63/84/32/784638432.db2.gz AZSXDIXPXHLTJD-CABCVRRESA-N 2 1 348.466 2.412 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135858203 784640658 /nfs/dbraw/zinc/64/06/58/784640658.db2.gz UZJOHPGAEVTSPV-KBPBESRZSA-N 2 1 336.505 2.334 20 30 EEEDMP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083179388 784693242 /nfs/dbraw/zinc/69/32/42/784693242.db2.gz TUCGZDGDUHZNCN-HNNXBMFYSA-N 2 1 343.450 2.251 20 30 EEEDMP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083179388 784693244 /nfs/dbraw/zinc/69/32/44/784693244.db2.gz TUCGZDGDUHZNCN-HNNXBMFYSA-N 2 1 343.450 2.251 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001035623654 784816589 /nfs/dbraw/zinc/81/65/89/784816589.db2.gz CWCVQQXRQHRVEE-KRWDZBQOSA-N 2 1 349.475 2.128 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001035623654 784816598 /nfs/dbraw/zinc/81/65/98/784816598.db2.gz CWCVQQXRQHRVEE-KRWDZBQOSA-N 2 1 349.475 2.128 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001112538470 785995026 /nfs/dbraw/zinc/99/50/26/785995026.db2.gz JHBWYAZNKQFIII-PXNSSMCTSA-N 2 1 342.487 2.248 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635369 787951979 /nfs/dbraw/zinc/95/19/79/787951979.db2.gz MSZKOOJQUDZIBZ-UYAOXDASSA-N 2 1 331.504 2.247 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001127066875 788316930 /nfs/dbraw/zinc/31/69/30/788316930.db2.gz UHJOFXJMMGTQGS-SFHVURJKSA-N 2 1 347.890 2.270 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000997185222 789378203 /nfs/dbraw/zinc/37/82/03/789378203.db2.gz ZLJIJNFCYRJFRU-PBHICJAKSA-N 2 1 342.487 2.063 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946902106 789569565 /nfs/dbraw/zinc/56/95/65/789569565.db2.gz JWRKFJQGKSONNN-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902106 789569571 /nfs/dbraw/zinc/56/95/71/789569571.db2.gz JWRKFJQGKSONNN-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902106 789569578 /nfs/dbraw/zinc/56/95/78/789569578.db2.gz JWRKFJQGKSONNN-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300322 793776677 /nfs/dbraw/zinc/77/66/77/793776677.db2.gz VFTHTVZZJJZPDA-AEFFLSMTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300322 793776682 /nfs/dbraw/zinc/77/66/82/793776682.db2.gz VFTHTVZZJJZPDA-AEFFLSMTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871142 795596049 /nfs/dbraw/zinc/59/60/49/795596049.db2.gz HDGOFBMXNVNJAB-WBVHZDCISA-N 2 1 328.460 2.260 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871142 795596051 /nfs/dbraw/zinc/59/60/51/795596051.db2.gz HDGOFBMXNVNJAB-WBVHZDCISA-N 2 1 328.460 2.260 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036866943 795609336 /nfs/dbraw/zinc/60/93/36/795609336.db2.gz MWQFORTZTQSRBB-PMACEKPBSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080144544 795666321 /nfs/dbraw/zinc/66/63/21/795666321.db2.gz GCORBPAIAKCEAH-NVXWUHKLSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080144544 795666326 /nfs/dbraw/zinc/66/63/26/795666326.db2.gz GCORBPAIAKCEAH-NVXWUHKLSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902984 796441283 /nfs/dbraw/zinc/44/12/83/796441283.db2.gz SXITUAZYRWGDMU-IEBWSBKVSA-N 2 1 327.472 2.471 20 30 EEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001093003 796547304 /nfs/dbraw/zinc/54/73/04/796547304.db2.gz FHUVAASPQKWEEH-SFHVURJKSA-N 2 1 342.487 2.468 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001093003 796547309 /nfs/dbraw/zinc/54/73/09/796547309.db2.gz FHUVAASPQKWEEH-SFHVURJKSA-N 2 1 342.487 2.468 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993622179 796847479 /nfs/dbraw/zinc/84/74/79/796847479.db2.gz NWQXUAWNSZGWCT-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993622179 796847485 /nfs/dbraw/zinc/84/74/85/796847485.db2.gz NWQXUAWNSZGWCT-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001054059893 796994237 /nfs/dbraw/zinc/99/42/37/796994237.db2.gz AFFFTBSIETZTNL-RBUKOAKNSA-N 2 1 327.472 2.057 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032160 798621629 /nfs/dbraw/zinc/62/16/29/798621629.db2.gz SMHREISFDUPTOC-XHSDSOJGSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032160 798621633 /nfs/dbraw/zinc/62/16/33/798621633.db2.gz SMHREISFDUPTOC-XHSDSOJGSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032160 798621635 /nfs/dbraw/zinc/62/16/35/798621635.db2.gz SMHREISFDUPTOC-XHSDSOJGSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032160 798621637 /nfs/dbraw/zinc/62/16/37/798621637.db2.gz SMHREISFDUPTOC-XHSDSOJGSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112579604 806678067 /nfs/dbraw/zinc/67/80/67/806678067.db2.gz XYNSHXUPFDDWQM-RDJZCZTQSA-N 2 1 336.867 2.162 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176986522 798675332 /nfs/dbraw/zinc/67/53/32/798675332.db2.gz QGZUQWIHYMWANJ-LJQANCHMSA-N 2 1 327.472 2.008 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001085149267 798723831 /nfs/dbraw/zinc/72/38/31/798723831.db2.gz KJAGJXCJSFDRDZ-MGPQQGTHSA-N 2 1 344.297 2.006 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001177151939 798777430 /nfs/dbraw/zinc/77/74/30/798777430.db2.gz WZGPXTAJSQYWNA-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001177151939 798777433 /nfs/dbraw/zinc/77/74/33/798777433.db2.gz WZGPXTAJSQYWNA-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001177466744 798951820 /nfs/dbraw/zinc/95/18/20/798951820.db2.gz DSHBMYDEYSPZRD-LJQANCHMSA-N 2 1 333.520 2.350 20 30 EEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001003007518 799026314 /nfs/dbraw/zinc/02/63/14/799026314.db2.gz IWGPFVMIGNHAEH-IBGZPJMESA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001003318432 799519992 /nfs/dbraw/zinc/51/99/92/799519992.db2.gz JERWUUAQMBBEPO-UHFFFAOYSA-N 2 1 330.476 2.309 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001085332357 800371522 /nfs/dbraw/zinc/37/15/22/800371522.db2.gz UKHYZOBXLHSCAB-RKVPGOIHSA-N 2 1 325.472 2.402 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181729175 800882195 /nfs/dbraw/zinc/88/21/95/800882195.db2.gz XDRYICMDORCVNO-YFVAEKQCSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001182346804 801129744 /nfs/dbraw/zinc/12/97/44/801129744.db2.gz XXILQFNUKNKCPP-WSTZPKSXSA-N 2 1 333.520 2.206 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001183026036 801443341 /nfs/dbraw/zinc/44/33/41/801443341.db2.gz UTKDUVACAXCPSU-DNVCBOLYSA-N 2 1 339.443 2.141 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001184702136 802137824 /nfs/dbraw/zinc/13/78/24/802137824.db2.gz UGXKCDUUZBBZBK-GJZGRUSLSA-N 2 1 334.464 2.000 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3nccn3C)CC[C@@H]2C1 ZINC000946694090 802838407 /nfs/dbraw/zinc/83/84/07/802838407.db2.gz LMLKCJQKCNQQSG-CALCHBBNSA-N 2 1 330.476 2.099 20 30 EEEDMP C=CCCCCC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001108324466 803316065 /nfs/dbraw/zinc/31/60/65/803316065.db2.gz XAGJHMCJTSKCRJ-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108324466 803316068 /nfs/dbraw/zinc/31/60/68/803316068.db2.gz XAGJHMCJTSKCRJ-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108324466 803316076 /nfs/dbraw/zinc/31/60/76/803316076.db2.gz XAGJHMCJTSKCRJ-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001129771208 810994367 /nfs/dbraw/zinc/99/43/67/810994367.db2.gz UABGKDUVYVHZKV-OALUTQOASA-N 2 1 343.446 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001129771208 810994374 /nfs/dbraw/zinc/99/43/74/810994374.db2.gz UABGKDUVYVHZKV-OALUTQOASA-N 2 1 343.446 2.007 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc2ccccc2c1 ZINC001129771184 810994729 /nfs/dbraw/zinc/99/47/29/810994729.db2.gz STVSLCDKWDACIE-FQEVSTJZSA-N 2 1 335.451 2.143 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc2ccccc2c1 ZINC001129771184 810994735 /nfs/dbraw/zinc/99/47/35/810994735.db2.gz STVSLCDKWDACIE-FQEVSTJZSA-N 2 1 335.451 2.143 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001131519043 812923775 /nfs/dbraw/zinc/92/37/75/812923775.db2.gz BYRRXAJNIAZENR-QYZOEREBSA-N 2 1 349.519 2.033 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001437686229 1090226375 /nfs/dbraw/zinc/22/63/75/1090226375.db2.gz LJIFXJIMKWSSLQ-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001437686229 1090226380 /nfs/dbraw/zinc/22/63/80/1090226380.db2.gz LJIFXJIMKWSSLQ-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001437686229 1090226381 /nfs/dbraw/zinc/22/63/81/1090226381.db2.gz LJIFXJIMKWSSLQ-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001437686229 1090226385 /nfs/dbraw/zinc/22/63/85/1090226385.db2.gz LJIFXJIMKWSSLQ-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001496513049 1101112071 /nfs/dbraw/zinc/11/20/71/1101112071.db2.gz VMAZZICLOYTXSK-INIZCTEOSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001496513049 1101112073 /nfs/dbraw/zinc/11/20/73/1101112073.db2.gz VMAZZICLOYTXSK-INIZCTEOSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001496513049 1101112076 /nfs/dbraw/zinc/11/20/76/1101112076.db2.gz VMAZZICLOYTXSK-INIZCTEOSA-N 2 1 327.900 2.251 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001447635305 1103007422 /nfs/dbraw/zinc/00/74/22/1103007422.db2.gz MZRUXEPLZGEJPA-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000329674014 539780454 /nfs/dbraw/zinc/78/04/54/539780454.db2.gz OIAJRRXOVNPJAB-GOEBONIOSA-N 2 1 331.464 2.233 20 30 EEEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000329674014 539780458 /nfs/dbraw/zinc/78/04/58/539780458.db2.gz OIAJRRXOVNPJAB-GOEBONIOSA-N 2 1 331.464 2.233 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccccc1C#N ZINC000374424031 167040298 /nfs/dbraw/zinc/04/02/98/167040298.db2.gz YEAGQYRRVJNLFC-ZIFCJYIRSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccccc1C#N ZINC000374424031 167040300 /nfs/dbraw/zinc/04/03/00/167040300.db2.gz YEAGQYRRVJNLFC-ZIFCJYIRSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccc(C#N)cc1 ZINC000374426635 167040785 /nfs/dbraw/zinc/04/07/85/167040785.db2.gz FMWNGAVGEVRYEV-NZSAHSFTSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccc(C#N)cc1 ZINC000374426635 167040788 /nfs/dbraw/zinc/04/07/88/167040788.db2.gz FMWNGAVGEVRYEV-NZSAHSFTSA-N 2 1 329.444 2.121 20 30 EEEDMP CN(c1ccc(Cl)c(C#N)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377998438 277002806 /nfs/dbraw/zinc/00/28/06/277002806.db2.gz PVAIFQHNMMMSRR-CQSZACIVSA-N 2 1 333.867 2.211 20 30 EEEDMP CN(c1ccc(Cl)c(C#N)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377998438 277002808 /nfs/dbraw/zinc/00/28/08/277002808.db2.gz PVAIFQHNMMMSRR-CQSZACIVSA-N 2 1 333.867 2.211 20 30 EEEDMP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166471164 463655532 /nfs/dbraw/zinc/65/55/32/463655532.db2.gz MUZUICVKQZYMIJ-ZWKOTPCHSA-N 2 1 325.460 2.138 20 30 EEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N[C@@H](C)COC)c1cccc(OC)c1 ZINC000264060797 464278569 /nfs/dbraw/zinc/27/85/69/464278569.db2.gz CSZWFOUICHKNFJ-WMLDXEAASA-N 2 1 336.480 2.017 20 30 EEEDMP COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000264091705 464281820 /nfs/dbraw/zinc/28/18/20/464281820.db2.gz LEWOXXBAOADSKO-MAUKXSAKSA-N 2 1 348.491 2.161 20 30 EEEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000264133033 464286904 /nfs/dbraw/zinc/28/69/04/464286904.db2.gz UMFNYSDOIKATHT-HZPDHXFCSA-N 2 1 332.492 2.358 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593884534 468419887 /nfs/dbraw/zinc/41/98/87/468419887.db2.gz XXADFPWZTLEWEL-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000282439289 464818496 /nfs/dbraw/zinc/81/84/96/464818496.db2.gz UKCXUHOCNCCINX-MRXNPFEDSA-N 2 1 330.476 2.266 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360954970 465660741 /nfs/dbraw/zinc/66/07/41/465660741.db2.gz ANSMAUXUQAXKCV-FGTMMUONSA-N 2 1 336.524 2.485 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000340229996 465901708 /nfs/dbraw/zinc/90/17/08/465901708.db2.gz DPWZMSAGPTUAEO-UHFFFAOYSA-N 2 1 328.522 2.220 20 30 EEEDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CC3(C#N)CCCCC3)C2)CC1 ZINC000597215568 468482571 /nfs/dbraw/zinc/48/25/71/468482571.db2.gz GHAOIZGDDPGXBY-MRXNPFEDSA-N 2 1 332.492 2.135 20 30 EEEDMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CC3(C#N)CCCCC3)C2)CC1 ZINC000597215568 468482573 /nfs/dbraw/zinc/48/25/73/468482573.db2.gz GHAOIZGDDPGXBY-MRXNPFEDSA-N 2 1 332.492 2.135 20 30 EEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000347249864 466509272 /nfs/dbraw/zinc/50/92/72/466509272.db2.gz GLQGMRICZPSXNX-GOSISDBHSA-N 2 1 331.460 2.500 20 30 EEEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592066058 468610175 /nfs/dbraw/zinc/61/01/75/468610175.db2.gz GUUMLWJOBNMQDM-MSOLQXFVSA-N 2 1 328.460 2.036 20 30 EEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@H](C)C1 ZINC000598609618 468932242 /nfs/dbraw/zinc/93/22/42/468932242.db2.gz SXNGJUOHZNTSDK-ZACQAIPSSA-N 2 1 325.497 2.014 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000644531770 470975128 /nfs/dbraw/zinc/97/51/28/470975128.db2.gz IQQKJPNTEOHUTG-QFBILLFUSA-N 2 1 330.472 2.229 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723296 782133108 /nfs/dbraw/zinc/13/31/08/782133108.db2.gz KGHKMQPVVYNHMW-FCEWJHQRSA-N 2 1 337.483 2.191 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723296 782133112 /nfs/dbraw/zinc/13/31/12/782133112.db2.gz KGHKMQPVVYNHMW-FCEWJHQRSA-N 2 1 337.483 2.191 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723296 782133115 /nfs/dbraw/zinc/13/31/15/782133115.db2.gz KGHKMQPVVYNHMW-FCEWJHQRSA-N 2 1 337.483 2.191 20 30 EEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000093132959 526933255 /nfs/dbraw/zinc/93/32/55/526933255.db2.gz YUHBOWDVUCTCMV-IBGZPJMESA-N 2 1 329.488 2.463 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000970800414 676159863 /nfs/dbraw/zinc/15/98/63/676159863.db2.gz NRSOGGZPAKHNPP-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000970800415 676160066 /nfs/dbraw/zinc/16/00/66/676160066.db2.gz NRSOGGZPAKHNPP-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636041 676290208 /nfs/dbraw/zinc/29/02/08/676290208.db2.gz NIRTVIXVOJVTEY-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636041 676290209 /nfs/dbraw/zinc/29/02/09/676290209.db2.gz NIRTVIXVOJVTEY-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021636395 676291387 /nfs/dbraw/zinc/29/13/87/676291387.db2.gz QFAVFGYTSIGQMN-LPHOPBHVSA-N 2 1 336.439 2.284 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CC(=C)C)CC[C@@H]32)CC1 ZINC001021739683 676398298 /nfs/dbraw/zinc/39/82/98/676398298.db2.gz LWIDPWZXKYTSMU-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC000972330075 678550875 /nfs/dbraw/zinc/55/08/75/678550875.db2.gz DFTIKTBMIIYSOZ-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC000972330075 678550880 /nfs/dbraw/zinc/55/08/80/678550880.db2.gz DFTIKTBMIIYSOZ-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC000972330075 678550883 /nfs/dbraw/zinc/55/08/83/678550883.db2.gz DFTIKTBMIIYSOZ-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000972330075 678550886 /nfs/dbraw/zinc/55/08/86/678550886.db2.gz DFTIKTBMIIYSOZ-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556759 679377067 /nfs/dbraw/zinc/37/70/67/679377067.db2.gz QBGJCHQWEILIEF-DLBZAZTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556759 679377068 /nfs/dbraw/zinc/37/70/68/679377068.db2.gz QBGJCHQWEILIEF-DLBZAZTESA-N 2 1 330.476 2.158 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1CC)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262328144 685369018 /nfs/dbraw/zinc/36/90/18/685369018.db2.gz AJNWUCQAVZZDOO-MWDXBVQZSA-N 2 1 336.524 2.229 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024652647 681318961 /nfs/dbraw/zinc/31/89/61/681318961.db2.gz RRHSWETYMSGNBR-IBGZPJMESA-N 2 1 327.472 2.008 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750088 681412561 /nfs/dbraw/zinc/41/25/61/681412561.db2.gz LSOXCPWVKVNWHZ-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001025160127 682133266 /nfs/dbraw/zinc/13/32/66/682133266.db2.gz ZTZRXOOPWGLJIH-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001026464279 684677823 /nfs/dbraw/zinc/67/78/23/684677823.db2.gz AYIMVJUWXJGPJG-ACBHZAAOSA-N 2 1 340.471 2.169 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C(C)(C)C1 ZINC000974598900 685113714 /nfs/dbraw/zinc/11/37/14/685113714.db2.gz KRIRMIGYLIMWJJ-IRXDYDNUSA-N 2 1 345.491 2.193 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974686916 685225336 /nfs/dbraw/zinc/22/53/36/685225336.db2.gz ZEZUYTOPEWTZTF-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974686916 685225339 /nfs/dbraw/zinc/22/53/39/685225339.db2.gz ZEZUYTOPEWTZTF-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974686916 685225342 /nfs/dbraw/zinc/22/53/42/685225342.db2.gz ZEZUYTOPEWTZTF-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000985518689 687089786 /nfs/dbraw/zinc/08/97/86/687089786.db2.gz VGSOXAHOBACSJV-UHFFFAOYSA-N 2 1 325.884 2.290 20 30 EEEDMP C[C@@H]1[C@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986355137 688504585 /nfs/dbraw/zinc/50/45/85/688504585.db2.gz LJLIESNALCALIZ-DNVCBOLYSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCC(C)(C)C)CC2)CC1 ZINC000989734891 692230953 /nfs/dbraw/zinc/23/09/53/692230953.db2.gz JFRQAJQCSJUVIY-UHFFFAOYSA-N 2 1 333.520 2.302 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001027581586 693257438 /nfs/dbraw/zinc/25/74/38/693257438.db2.gz GENMLEAWKUFCSE-MOPGFXCFSA-N 2 1 342.487 2.321 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978411249 693573835 /nfs/dbraw/zinc/57/38/35/693573835.db2.gz KIWQHUHLGWVAMT-NXOAAHMSSA-N 2 1 339.911 2.153 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978411249 693573838 /nfs/dbraw/zinc/57/38/38/693573838.db2.gz KIWQHUHLGWVAMT-NXOAAHMSSA-N 2 1 339.911 2.153 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978411249 693573843 /nfs/dbraw/zinc/57/38/43/693573843.db2.gz KIWQHUHLGWVAMT-NXOAAHMSSA-N 2 1 339.911 2.153 20 30 EEEDMP CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001105444434 1187182745 /nfs/dbraw/zinc/18/27/45/1187182745.db2.gz FLMYRWAZLHNYCN-TYKWCNGQSA-N 2 1 341.499 2.158 20 30 EEEDMP C=CCCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001105487110 1188103834 /nfs/dbraw/zinc/10/38/34/1188103834.db2.gz PZJPWBDDZRAXNB-PGYGNJIDSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076325265 1188849410 /nfs/dbraw/zinc/84/94/10/1188849410.db2.gz ZLTLCUPRHLAWTE-JKSUJKDBSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076325265 1188849413 /nfs/dbraw/zinc/84/94/13/1188849413.db2.gz ZLTLCUPRHLAWTE-JKSUJKDBSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273100995 1194382940 /nfs/dbraw/zinc/38/29/40/1194382940.db2.gz KLGUMXSOQJKBMD-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]2C1 ZINC000946820988 1195385284 /nfs/dbraw/zinc/38/52/84/1195385284.db2.gz GZTWDWQNMPMALJ-BGYRXZFFSA-N 2 1 339.483 2.165 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034010652 1195629416 /nfs/dbraw/zinc/62/94/16/1195629416.db2.gz BQABKGZYYYTKSP-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC001034957598 1196918611 /nfs/dbraw/zinc/91/86/11/1196918611.db2.gz CIGWTKUUGUWQSK-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132125592 1199331951 /nfs/dbraw/zinc/33/19/51/1199331951.db2.gz XDUXSMOWTAFVSI-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132348888 1199612187 /nfs/dbraw/zinc/61/21/87/1199612187.db2.gz UVXGLBNLZBDADV-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132348888 1199612191 /nfs/dbraw/zinc/61/21/91/1199612191.db2.gz UVXGLBNLZBDADV-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132410290 1199677713 /nfs/dbraw/zinc/67/77/13/1199677713.db2.gz LEZNCKVXAVZMAL-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132410290 1199677717 /nfs/dbraw/zinc/67/77/17/1199677717.db2.gz LEZNCKVXAVZMAL-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132410290 1199677721 /nfs/dbraw/zinc/67/77/21/1199677721.db2.gz LEZNCKVXAVZMAL-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132410290 1199677723 /nfs/dbraw/zinc/67/77/23/1199677723.db2.gz LEZNCKVXAVZMAL-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001132737379 1199965662 /nfs/dbraw/zinc/96/56/62/1199965662.db2.gz LDXQJXNBZCPJGO-SFHVURJKSA-N 2 1 345.462 2.005 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114455762 1200566100 /nfs/dbraw/zinc/56/61/00/1200566100.db2.gz ITTYZFLPJJSMBZ-WNRNVDISSA-N 2 1 331.504 2.264 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001133399609 1200838818 /nfs/dbraw/zinc/83/88/18/1200838818.db2.gz TYIMJQDPPWIBGU-SFHVURJKSA-N 2 1 347.890 2.376 20 30 EEEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000887132379 1204213421 /nfs/dbraw/zinc/21/34/21/1204213421.db2.gz DUPUGKFCGOWIAC-MRXNPFEDSA-N 2 1 349.438 2.493 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccccc2-n2cc[nH+]c2C)C1=O ZINC001276054737 1205754467 /nfs/dbraw/zinc/75/44/67/1205754467.db2.gz WVVSKMKKIHCDBC-OAQYLSRUSA-N 2 1 348.450 2.381 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2-n2cc[nH+]c2C)C1=O ZINC001276054737 1205754468 /nfs/dbraw/zinc/75/44/68/1205754468.db2.gz WVVSKMKKIHCDBC-OAQYLSRUSA-N 2 1 348.450 2.381 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001110934878 1206315386 /nfs/dbraw/zinc/31/53/86/1206315386.db2.gz PWVZTPBUFWOBRO-MKXGPGLRSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001110934878 1206315388 /nfs/dbraw/zinc/31/53/88/1206315388.db2.gz PWVZTPBUFWOBRO-MKXGPGLRSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001110934878 1206315390 /nfs/dbraw/zinc/31/53/90/1206315390.db2.gz PWVZTPBUFWOBRO-MKXGPGLRSA-N 2 1 349.519 2.033 20 30 EEEDMP C[NH+]=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CCCS1 ZINC000157347173 1208373197 /nfs/dbraw/zinc/37/31/97/1208373197.db2.gz AKXQWGPJYAPWMG-KRWDZBQOSA-N 2 1 332.517 2.105 20 30 EEEDMP C[NH+]=C(NCC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCCS1 ZINC000157347173 1208373200 /nfs/dbraw/zinc/37/32/00/1208373200.db2.gz AKXQWGPJYAPWMG-KRWDZBQOSA-N 2 1 332.517 2.105 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948065100 1208851078 /nfs/dbraw/zinc/85/10/78/1208851078.db2.gz HGQYPQMFUKQDGZ-SJLPKXTDSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000948565965 1209226287 /nfs/dbraw/zinc/22/62/87/1209226287.db2.gz IUHFVLUCIIVSCX-IRXDYDNUSA-N 2 1 342.487 2.159 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000948565965 1209226290 /nfs/dbraw/zinc/22/62/90/1209226290.db2.gz IUHFVLUCIIVSCX-IRXDYDNUSA-N 2 1 342.487 2.159 20 30 EEEDMP CC[NH+]=C(NCC1(C)CCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000088252596 1212258503 /nfs/dbraw/zinc/25/85/03/1212258503.db2.gz GXUMNPSXKANNFZ-QGZVFWFLSA-N 2 1 336.524 2.186 20 30 EEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)CC(C)C ZINC000303774782 1213904107 /nfs/dbraw/zinc/90/41/07/1213904107.db2.gz GCPPOGNRLCXBNT-SJORKVTESA-N 3 1 325.545 2.132 20 30 EEEDMP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)[NH+]1CCCC1 ZINC000303774054 1213904239 /nfs/dbraw/zinc/90/42/39/1213904239.db2.gz FTBKUIKFGWPCLN-ZWKOTPCHSA-N 3 1 337.556 2.276 20 30 EEEDMP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000303881100 1213919486 /nfs/dbraw/zinc/91/94/86/1213919486.db2.gz HKFPKVUENBXZOT-HOTGVXAUSA-N 2 1 332.492 2.358 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC000960354165 1216510573 /nfs/dbraw/zinc/51/05/73/1216510573.db2.gz WWQUQYRVEJPLEV-ZGXWSNOMSA-N 2 1 341.499 2.021 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC000960354165 1216510578 /nfs/dbraw/zinc/51/05/78/1216510578.db2.gz WWQUQYRVEJPLEV-ZGXWSNOMSA-N 2 1 341.499 2.021 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC3=CCCCC3)C[C@H]21 ZINC000960354165 1216510583 /nfs/dbraw/zinc/51/05/83/1216510583.db2.gz WWQUQYRVEJPLEV-ZGXWSNOMSA-N 2 1 341.499 2.021 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC3=CCCCC3)C[C@H]21 ZINC000960354165 1216510586 /nfs/dbraw/zinc/51/05/86/1216510586.db2.gz WWQUQYRVEJPLEV-ZGXWSNOMSA-N 2 1 341.499 2.021 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CC(C)C2)CC1 ZINC000961027515 1217013525 /nfs/dbraw/zinc/01/35/25/1217013525.db2.gz NKFLDJDSFYLDBG-QLOJAFMTSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961261133 1217116185 /nfs/dbraw/zinc/11/61/85/1217116185.db2.gz MTGCRFIOFDSYBF-VQTJNVASSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961270472 1217120182 /nfs/dbraw/zinc/12/01/82/1217120182.db2.gz IHLBRSKPPHCPFK-ROUUACIJSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000964643729 1218507618 /nfs/dbraw/zinc/50/76/18/1218507618.db2.gz JKBNHHANCUSITB-JDKNDNFBSA-N 2 1 343.515 2.434 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001008532462 1222909602 /nfs/dbraw/zinc/90/96/02/1222909602.db2.gz OFPHMMCVCCYRHO-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001008532462 1222909605 /nfs/dbraw/zinc/90/96/05/1222909605.db2.gz OFPHMMCVCCYRHO-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001008532462 1222909607 /nfs/dbraw/zinc/90/96/07/1222909607.db2.gz OFPHMMCVCCYRHO-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001008532462 1222909609 /nfs/dbraw/zinc/90/96/09/1222909609.db2.gz OFPHMMCVCCYRHO-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)C1 ZINC001008535569 1222913489 /nfs/dbraw/zinc/91/34/89/1222913489.db2.gz TVINSCRUDOVTGO-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)C1 ZINC001008535571 1222913819 /nfs/dbraw/zinc/91/38/19/1222913819.db2.gz TVINSCRUDOVTGO-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001016791199 1226881352 /nfs/dbraw/zinc/88/13/52/1226881352.db2.gz LBYLDBXAQJBNNS-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001016791199 1226881354 /nfs/dbraw/zinc/88/13/54/1226881354.db2.gz LBYLDBXAQJBNNS-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016791553 1226881845 /nfs/dbraw/zinc/88/18/45/1226881845.db2.gz NZDLVGZBYWRJLN-HRCADAONSA-N 2 1 339.911 2.440 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001018985022 1228607300 /nfs/dbraw/zinc/60/73/00/1228607300.db2.gz IBXKSJFENXOJJL-PMACEKPBSA-N 2 1 339.483 2.037 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001018985022 1228607303 /nfs/dbraw/zinc/60/73/03/1228607303.db2.gz IBXKSJFENXOJJL-PMACEKPBSA-N 2 1 339.483 2.037 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001018986307 1228607929 /nfs/dbraw/zinc/60/79/29/1228607929.db2.gz YCDBUPQBTLIWCL-WMZOPIPTSA-N 2 1 345.874 2.128 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001018986307 1228607935 /nfs/dbraw/zinc/60/79/35/1228607935.db2.gz YCDBUPQBTLIWCL-WMZOPIPTSA-N 2 1 345.874 2.128 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001020250766 1229583312 /nfs/dbraw/zinc/58/33/12/1229583312.db2.gz POULSZMWWPMQOI-UFYCRDLUSA-N 2 1 339.483 2.083 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001020250766 1229583314 /nfs/dbraw/zinc/58/33/14/1229583314.db2.gz POULSZMWWPMQOI-UFYCRDLUSA-N 2 1 339.483 2.083 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC001039135299 1230347568 /nfs/dbraw/zinc/34/75/68/1230347568.db2.gz ZYVPVOQJMQKJDA-PMACEKPBSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC001039135299 1230347572 /nfs/dbraw/zinc/34/75/72/1230347572.db2.gz ZYVPVOQJMQKJDA-PMACEKPBSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001039135299 1230347575 /nfs/dbraw/zinc/34/75/75/1230347575.db2.gz ZYVPVOQJMQKJDA-PMACEKPBSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001039135299 1230347578 /nfs/dbraw/zinc/34/75/78/1230347578.db2.gz ZYVPVOQJMQKJDA-PMACEKPBSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140403 1230356063 /nfs/dbraw/zinc/35/60/63/1230356063.db2.gz FYWPEXLULNCHTJ-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140403 1230356067 /nfs/dbraw/zinc/35/60/67/1230356067.db2.gz FYWPEXLULNCHTJ-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140403 1230356071 /nfs/dbraw/zinc/35/60/71/1230356071.db2.gz FYWPEXLULNCHTJ-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039155328 1230375798 /nfs/dbraw/zinc/37/57/98/1230375798.db2.gz QIEGWTRLXIATAS-IBGZPJMESA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167107 1230390533 /nfs/dbraw/zinc/39/05/33/1230390533.db2.gz MBTREATVFVWWEV-LJQANCHMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173037 1230397658 /nfs/dbraw/zinc/39/76/58/1230397658.db2.gz LOAOKSSQEZTAGE-QGZVFWFLSA-N 2 1 339.911 2.395 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039172936 1230398333 /nfs/dbraw/zinc/39/83/33/1230398333.db2.gz JNTCDORDASFZKF-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039172936 1230398337 /nfs/dbraw/zinc/39/83/37/1230398337.db2.gz JNTCDORDASFZKF-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(C[NH+](C)C)on1 ZINC001039284567 1230508971 /nfs/dbraw/zinc/50/89/71/1230508971.db2.gz VSLWHBHMFFZJEN-MQVJKMGUSA-N 2 1 346.475 2.428 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040200899 1231097151 /nfs/dbraw/zinc/09/71/51/1231097151.db2.gz JHRKOIRJABWEQR-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040200899 1231097154 /nfs/dbraw/zinc/09/71/54/1231097154.db2.gz JHRKOIRJABWEQR-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040200899 1231097157 /nfs/dbraw/zinc/09/71/57/1231097157.db2.gz JHRKOIRJABWEQR-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040528089 1231277365 /nfs/dbraw/zinc/27/73/65/1231277365.db2.gz JMSIGTHVPIYCEF-RDJZCZTQSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040528089 1231277367 /nfs/dbraw/zinc/27/73/67/1231277367.db2.gz JMSIGTHVPIYCEF-RDJZCZTQSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040528089 1231277368 /nfs/dbraw/zinc/27/73/68/1231277368.db2.gz JMSIGTHVPIYCEF-RDJZCZTQSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040528089 1231277371 /nfs/dbraw/zinc/27/73/71/1231277371.db2.gz JMSIGTHVPIYCEF-RDJZCZTQSA-N 2 1 325.884 2.005 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699690 1231340040 /nfs/dbraw/zinc/34/00/40/1231340040.db2.gz DEWQQHFBNSEVIU-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041396357 1231530641 /nfs/dbraw/zinc/53/06/41/1231530641.db2.gz SCARHDZLMUAAQT-LJQANCHMSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041422421 1231541033 /nfs/dbraw/zinc/54/10/33/1231541033.db2.gz NUDQNZADKNAXCQ-HXUWFJFHSA-N 2 1 336.439 2.204 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C[C@@H](C)CC)C3)C2)CC1 ZINC001041842708 1231726664 /nfs/dbraw/zinc/72/66/64/1231726664.db2.gz ATOAOEWCQXEDRZ-GHTZIAJQSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845748 1231728959 /nfs/dbraw/zinc/72/89/59/1231728959.db2.gz PKMSCZVFTIHXGY-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063460 1231862024 /nfs/dbraw/zinc/86/20/24/1231862024.db2.gz XGUKLRRIHVNXQW-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042270773 1231994894 /nfs/dbraw/zinc/99/48/94/1231994894.db2.gz SECOOCYZJPVUSX-IEBWSBKVSA-N 2 1 327.472 2.471 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001044684896 1233176800 /nfs/dbraw/zinc/17/68/00/1233176800.db2.gz LWOCYJBVALJAJR-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045951248 1234217409 /nfs/dbraw/zinc/21/74/09/1234217409.db2.gz BZPAULZCLMHXLJ-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046941765 1235334655 /nfs/dbraw/zinc/33/46/55/1235334655.db2.gz PZZXHYGRMNKLGK-OWCLPIDISA-N 2 1 343.462 2.366 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046941765 1235334661 /nfs/dbraw/zinc/33/46/61/1235334661.db2.gz PZZXHYGRMNKLGK-OWCLPIDISA-N 2 1 343.462 2.366 20 30 EEEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046941765 1235334664 /nfs/dbraw/zinc/33/46/64/1235334664.db2.gz PZZXHYGRMNKLGK-OWCLPIDISA-N 2 1 343.462 2.366 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001046943193 1235337040 /nfs/dbraw/zinc/33/70/40/1235337040.db2.gz QOFFQOCSLIJBLJ-KGLIPLIRSA-N 2 1 338.402 2.020 20 30 EEEDMP C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001046943193 1235337044 /nfs/dbraw/zinc/33/70/44/1235337044.db2.gz QOFFQOCSLIJBLJ-KGLIPLIRSA-N 2 1 338.402 2.020 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047241155 1235726995 /nfs/dbraw/zinc/72/69/95/1235726995.db2.gz LTINOMUCZDCTPC-MISYRCLQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096313549 1237316603 /nfs/dbraw/zinc/31/66/03/1237316603.db2.gz JWSOUOGTFJIDEP-YDZRNGNQSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096313549 1237316610 /nfs/dbraw/zinc/31/66/10/1237316610.db2.gz JWSOUOGTFJIDEP-YDZRNGNQSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096313549 1237316617 /nfs/dbraw/zinc/31/66/17/1237316617.db2.gz JWSOUOGTFJIDEP-YDZRNGNQSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572405 1237993764 /nfs/dbraw/zinc/99/37/64/1237993764.db2.gz HTBMZYBUPWEWSS-FCGDIQPGSA-N 2 1 331.504 2.242 20 30 EEEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820365 1238739836 /nfs/dbraw/zinc/73/98/36/1238739836.db2.gz GQSFLPOOUCUXNY-GBESFXJTSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003457 1239716914 /nfs/dbraw/zinc/71/69/14/1239716914.db2.gz JOOUKJQDZITIQO-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003457 1239716918 /nfs/dbraw/zinc/71/69/18/1239716918.db2.gz JOOUKJQDZITIQO-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003457 1239716928 /nfs/dbraw/zinc/71/69/28/1239716928.db2.gz JOOUKJQDZITIQO-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]2C1 ZINC001049056884 1239878083 /nfs/dbraw/zinc/87/80/83/1239878083.db2.gz COOWPEXZPHBENH-BGYRXZFFSA-N 2 1 341.499 2.371 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001000188652 1240042947 /nfs/dbraw/zinc/04/29/47/1240042947.db2.gz BRYGJKZNYXCBAX-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)CC1 ZINC001000246585 1240097751 /nfs/dbraw/zinc/09/77/51/1240097751.db2.gz CSLPUOUGTMMNEE-GOSISDBHSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172233 1240176650 /nfs/dbraw/zinc/17/66/50/1240176650.db2.gz VKDHABNYJIRKBN-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049235067 1240339569 /nfs/dbraw/zinc/33/95/69/1240339569.db2.gz RTZHKKVBRPYFLQ-CEXWTWQISA-N 2 1 327.472 2.256 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049235067 1240339573 /nfs/dbraw/zinc/33/95/73/1240339573.db2.gz RTZHKKVBRPYFLQ-CEXWTWQISA-N 2 1 327.472 2.256 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049791090 1242194357 /nfs/dbraw/zinc/19/43/57/1242194357.db2.gz PQRLKMJNOVMJET-UXHICEINSA-N 2 1 339.483 2.450 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC3CCCC3)CC2)CC1 ZINC001001468799 1242331254 /nfs/dbraw/zinc/33/12/54/1242331254.db2.gz XJVPDUVXNYVEAD-UHFFFAOYSA-N 2 1 343.515 2.270 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001049838925 1242371505 /nfs/dbraw/zinc/37/15/05/1242371505.db2.gz ZHYLYHWDTSKWOD-SBHAEUEKSA-N 2 1 339.483 2.162 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001049838925 1242371511 /nfs/dbraw/zinc/37/15/11/1242371511.db2.gz ZHYLYHWDTSKWOD-SBHAEUEKSA-N 2 1 339.483 2.162 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049913150 1242672125 /nfs/dbraw/zinc/67/21/25/1242672125.db2.gz BQEWPQFASDACSP-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCC2CC2)CC1 ZINC001049922331 1242722108 /nfs/dbraw/zinc/72/21/08/1242722108.db2.gz YTHKXGSOYCPVPC-WOJBJXKFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097078837 1243675810 /nfs/dbraw/zinc/67/58/10/1243675810.db2.gz BYVYWKKBQFKTMK-AFYVEPGGSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097078837 1243675819 /nfs/dbraw/zinc/67/58/19/1243675819.db2.gz BYVYWKKBQFKTMK-AFYVEPGGSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001097078837 1243675823 /nfs/dbraw/zinc/67/58/23/1243675823.db2.gz BYVYWKKBQFKTMK-AFYVEPGGSA-N 2 1 343.515 2.386 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001097859573 1244698707 /nfs/dbraw/zinc/69/87/07/1244698707.db2.gz TWRXREFHXQDSJI-KYJSFNMBSA-N 2 1 344.459 2.182 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001097859573 1244698720 /nfs/dbraw/zinc/69/87/20/1244698720.db2.gz TWRXREFHXQDSJI-KYJSFNMBSA-N 2 1 344.459 2.182 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029941 1245715085 /nfs/dbraw/zinc/71/50/85/1245715085.db2.gz YRGPFMKQOIWGST-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)C[C@]2(C)C1 ZINC001101427916 1245809804 /nfs/dbraw/zinc/80/98/04/1245809804.db2.gz WCEMMNWSEAOVHU-QUCCMNQESA-N 2 1 333.520 2.302 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107299 1245926827 /nfs/dbraw/zinc/92/68/27/1245926827.db2.gz DRRBHXCAVGZTNW-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107299 1245926831 /nfs/dbraw/zinc/92/68/31/1245926831.db2.gz DRRBHXCAVGZTNW-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158052 1247559569 /nfs/dbraw/zinc/55/95/69/1247559569.db2.gz DFUBSZOTTVUIHN-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054158052 1247559576 /nfs/dbraw/zinc/55/95/76/1247559576.db2.gz DFUBSZOTTVUIHN-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054158052 1247559580 /nfs/dbraw/zinc/55/95/80/1247559580.db2.gz DFUBSZOTTVUIHN-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001054185299 1247650215 /nfs/dbraw/zinc/65/02/15/1247650215.db2.gz XREJUFJYKVULMN-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001054185299 1247650227 /nfs/dbraw/zinc/65/02/27/1247650227.db2.gz XREJUFJYKVULMN-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197516 1247688031 /nfs/dbraw/zinc/68/80/31/1247688031.db2.gz YDOMPHDZLNTTHV-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054197516 1247688046 /nfs/dbraw/zinc/68/80/46/1247688046.db2.gz YDOMPHDZLNTTHV-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054197516 1247688056 /nfs/dbraw/zinc/68/80/56/1247688056.db2.gz YDOMPHDZLNTTHV-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245090 1247863003 /nfs/dbraw/zinc/86/30/03/1247863003.db2.gz OOIXFPCFXSAZCV-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001099106928 1257970035 /nfs/dbraw/zinc/97/00/35/1257970035.db2.gz SDBGWDMHXLPKSH-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106928 1257970046 /nfs/dbraw/zinc/97/00/46/1257970046.db2.gz SDBGWDMHXLPKSH-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106928 1257970054 /nfs/dbraw/zinc/97/00/54/1257970054.db2.gz SDBGWDMHXLPKSH-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001099496887 1258177901 /nfs/dbraw/zinc/17/79/01/1258177901.db2.gz MZVSQRKSGNPDSP-XSLAGTTESA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001099496887 1258177905 /nfs/dbraw/zinc/17/79/05/1258177905.db2.gz MZVSQRKSGNPDSP-XSLAGTTESA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001099496887 1258177909 /nfs/dbraw/zinc/17/79/09/1258177909.db2.gz MZVSQRKSGNPDSP-XSLAGTTESA-N 2 1 333.520 2.462 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258603 1280762747 /nfs/dbraw/zinc/76/27/47/1280762747.db2.gz LEUKNBXSFVYGRI-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258603 1280762750 /nfs/dbraw/zinc/76/27/50/1280762750.db2.gz LEUKNBXSFVYGRI-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001190258603 1280762754 /nfs/dbraw/zinc/76/27/54/1280762754.db2.gz LEUKNBXSFVYGRI-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001190258603 1280762759 /nfs/dbraw/zinc/76/27/59/1280762759.db2.gz LEUKNBXSFVYGRI-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194153574 1282914951 /nfs/dbraw/zinc/91/49/51/1282914951.db2.gz FTWFPQHQLSKQRW-QZTJIDSGSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194153574 1282914954 /nfs/dbraw/zinc/91/49/54/1282914954.db2.gz FTWFPQHQLSKQRW-QZTJIDSGSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194153574 1282914959 /nfs/dbraw/zinc/91/49/59/1282914959.db2.gz FTWFPQHQLSKQRW-QZTJIDSGSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001194153574 1282914963 /nfs/dbraw/zinc/91/49/63/1282914963.db2.gz FTWFPQHQLSKQRW-QZTJIDSGSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001194153574 1282914965 /nfs/dbraw/zinc/91/49/65/1282914965.db2.gz FTWFPQHQLSKQRW-QZTJIDSGSA-N 2 1 339.524 2.210 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC/C=C\CCC)CC1 ZINC001196191775 1283926158 /nfs/dbraw/zinc/92/61/58/1283926158.db2.gz MEIGONDFXANGFL-RURPWVQCSA-N 2 1 331.504 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC/C=C\CCC)CC1 ZINC001196191775 1283926160 /nfs/dbraw/zinc/92/61/60/1283926160.db2.gz MEIGONDFXANGFL-RURPWVQCSA-N 2 1 331.504 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC/C=C\CCC)CC1 ZINC001196191775 1283926164 /nfs/dbraw/zinc/92/61/64/1283926164.db2.gz MEIGONDFXANGFL-RURPWVQCSA-N 2 1 331.504 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC/C=C\CCC)CC1 ZINC001196191775 1283926167 /nfs/dbraw/zinc/92/61/67/1283926167.db2.gz MEIGONDFXANGFL-RURPWVQCSA-N 2 1 331.504 2.365 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197724596 1284776538 /nfs/dbraw/zinc/77/65/38/1284776538.db2.gz UXJLEZGDENBDQK-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071896577 1294980959 /nfs/dbraw/zinc/98/09/59/1294980959.db2.gz GZULWXRERFFDEC-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP C=C1CC[NH2+]C[C@H]1Oc1ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc1 ZINC001218210942 1297599683 /nfs/dbraw/zinc/59/96/83/1297599683.db2.gz MRAZRBRRYOXIRE-DLBZAZTESA-N 2 1 332.444 2.195 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099062230 1298845018 /nfs/dbraw/zinc/84/50/18/1298845018.db2.gz WKYICBXZPBZFIK-BJLQDIEVSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099542071 1299202974 /nfs/dbraw/zinc/20/29/74/1299202974.db2.gz AQQOLRZECZZPAJ-NXOAAHMSSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099542071 1299202987 /nfs/dbraw/zinc/20/29/87/1299202987.db2.gz AQQOLRZECZZPAJ-NXOAAHMSSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099542071 1299202998 /nfs/dbraw/zinc/20/29/98/1299202998.db2.gz AQQOLRZECZZPAJ-NXOAAHMSSA-N 2 1 339.911 2.250 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225525070 1301038282 /nfs/dbraw/zinc/03/82/82/1301038282.db2.gz LAOKNVQTHDFJHZ-KURKYZTESA-N 2 1 339.524 2.304 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225525070 1301038297 /nfs/dbraw/zinc/03/82/97/1301038297.db2.gz LAOKNVQTHDFJHZ-KURKYZTESA-N 2 1 339.524 2.304 20 30 EEEDMP CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1)[NH+](C)C ZINC001227979418 1302037328 /nfs/dbraw/zinc/03/73/28/1302037328.db2.gz FLXZAWBJDJVJGS-GOSISDBHSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086463 1302192806 /nfs/dbraw/zinc/19/28/06/1302192806.db2.gz DOMXIXNPVNVREN-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086463 1302192810 /nfs/dbraw/zinc/19/28/10/1302192810.db2.gz DOMXIXNPVNVREN-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086463 1302192815 /nfs/dbraw/zinc/19/28/15/1302192815.db2.gz DOMXIXNPVNVREN-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001228647339 1302359554 /nfs/dbraw/zinc/35/95/54/1302359554.db2.gz RALWVJFTIDYKBZ-RTBURBONSA-N 2 1 329.488 2.364 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230714178 1303409745 /nfs/dbraw/zinc/40/97/45/1303409745.db2.gz XKZLKAQRJMKZMM-SFHVURJKSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230714178 1303409748 /nfs/dbraw/zinc/40/97/48/1303409748.db2.gz XKZLKAQRJMKZMM-SFHVURJKSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230714178 1303409750 /nfs/dbraw/zinc/40/97/50/1303409750.db2.gz XKZLKAQRJMKZMM-SFHVURJKSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccnc1 ZINC001230924613 1303549689 /nfs/dbraw/zinc/54/96/89/1303549689.db2.gz SNQAGJBLNWVZRT-UHFFFAOYSA-N 2 1 330.476 2.062 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C[NH+](C)C ZINC001115294126 1304910813 /nfs/dbraw/zinc/91/08/13/1304910813.db2.gz KEFALMBPEKXMED-BWTSREIZSA-N 2 1 327.472 2.374 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768553 1305752840 /nfs/dbraw/zinc/75/28/40/1305752840.db2.gz BTRJUPGLAJMGBG-ROUUACIJSA-N 2 1 331.504 2.435 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149863188 1316071379 /nfs/dbraw/zinc/07/13/79/1316071379.db2.gz YQLRFOIYEWAOCR-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149863188 1316071384 /nfs/dbraw/zinc/07/13/84/1316071384.db2.gz YQLRFOIYEWAOCR-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149863188 1316071389 /nfs/dbraw/zinc/07/13/89/1316071389.db2.gz YQLRFOIYEWAOCR-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP CC(C)[C@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)[NH+]1CCCC1 ZINC001152470529 1316676595 /nfs/dbraw/zinc/67/65/95/1316676595.db2.gz CUULHMXZQDHLFD-GOSISDBHSA-N 2 1 346.450 2.024 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226080 1317509664 /nfs/dbraw/zinc/50/96/64/1317509664.db2.gz GUSZIKCSMJQXCN-IAGOWNOFSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226080 1317509668 /nfs/dbraw/zinc/50/96/68/1317509668.db2.gz GUSZIKCSMJQXCN-IAGOWNOFSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226080 1317509672 /nfs/dbraw/zinc/50/96/72/1317509672.db2.gz GUSZIKCSMJQXCN-IAGOWNOFSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC#Cc1ccccc1 ZINC001156200873 1317918043 /nfs/dbraw/zinc/91/80/43/1317918043.db2.gz RXQKQIKPYBCJCD-GOSISDBHSA-N 2 1 329.488 2.207 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC#Cc1ccccc1 ZINC001156200873 1317918046 /nfs/dbraw/zinc/91/80/46/1317918046.db2.gz RXQKQIKPYBCJCD-GOSISDBHSA-N 2 1 329.488 2.207 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001157887035 1318917705 /nfs/dbraw/zinc/91/77/05/1318917705.db2.gz PUPQBTKPGLJBAT-GOSISDBHSA-N 2 1 346.450 2.166 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(N2CCCC2)cc[nH+]1 ZINC001159925122 1320024393 /nfs/dbraw/zinc/02/43/93/1320024393.db2.gz ARSPGGRXHSBBQX-INIZCTEOSA-N 2 1 332.448 2.321 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160352815 1320142301 /nfs/dbraw/zinc/14/23/01/1320142301.db2.gz NECDLSXOOIQJSU-LJQANCHMSA-N 2 1 331.504 2.126 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352815 1320142305 /nfs/dbraw/zinc/14/23/05/1320142305.db2.gz NECDLSXOOIQJSU-LJQANCHMSA-N 2 1 331.504 2.126 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352815 1320142308 /nfs/dbraw/zinc/14/23/08/1320142308.db2.gz NECDLSXOOIQJSU-LJQANCHMSA-N 2 1 331.504 2.126 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2COCCN2CCCC)CC1 ZINC001160778834 1320266159 /nfs/dbraw/zinc/26/61/59/1320266159.db2.gz QSWFZOYIZQFONI-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160869691 1320298453 /nfs/dbraw/zinc/29/84/53/1320298453.db2.gz RKQKIKPIIUIDMD-RTBURBONSA-N 2 1 340.471 2.171 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161207570 1320420285 /nfs/dbraw/zinc/42/02/85/1320420285.db2.gz VTIJKWJRNRFPAU-HNNXBMFYSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161207570 1320420289 /nfs/dbraw/zinc/42/02/89/1320420289.db2.gz VTIJKWJRNRFPAU-HNNXBMFYSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161207570 1320420291 /nfs/dbraw/zinc/42/02/91/1320420291.db2.gz VTIJKWJRNRFPAU-HNNXBMFYSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161207570 1320420294 /nfs/dbraw/zinc/42/02/94/1320420294.db2.gz VTIJKWJRNRFPAU-HNNXBMFYSA-N 2 1 325.884 2.362 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001161250673 1320434816 /nfs/dbraw/zinc/43/48/16/1320434816.db2.gz BNVINVBAFFUGAO-UHFFFAOYSA-N 2 1 334.439 2.024 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)(COC)CC1 ZINC001162320144 1320820229 /nfs/dbraw/zinc/82/02/29/1320820229.db2.gz HWRRYDTVBYPOII-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCCCF)CC1 ZINC001205479729 1323155171 /nfs/dbraw/zinc/15/51/71/1323155171.db2.gz VGAVGLWRTJFRNG-SFHVURJKSA-N 2 1 337.483 2.052 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCCCF)CC1 ZINC001205479729 1323155178 /nfs/dbraw/zinc/15/51/78/1323155178.db2.gz VGAVGLWRTJFRNG-SFHVURJKSA-N 2 1 337.483 2.052 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206954774 1323742216 /nfs/dbraw/zinc/74/22/16/1323742216.db2.gz WKXDLDPQMYGFPJ-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001210784333 1325430505 /nfs/dbraw/zinc/43/05/05/1325430505.db2.gz YJAAOJHDZGMDIM-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC001335986839 1336460884 /nfs/dbraw/zinc/46/08/84/1336460884.db2.gz OLTDDPVMBUSOJP-MRXNPFEDSA-N 2 1 336.863 2.157 20 30 EEEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100038387 1337948031 /nfs/dbraw/zinc/94/80/31/1337948031.db2.gz IWGVXDRPIVIRMY-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038387 1337948032 /nfs/dbraw/zinc/94/80/32/1337948032.db2.gz IWGVXDRPIVIRMY-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038387 1337948035 /nfs/dbraw/zinc/94/80/35/1337948035.db2.gz IWGVXDRPIVIRMY-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C#CC1CCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000848238717 1338605029 /nfs/dbraw/zinc/60/50/29/1338605029.db2.gz VJKLDTBCDBLBJW-UHFFFAOYSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCCCC1 ZINC001115773130 1371706705 /nfs/dbraw/zinc/70/67/05/1371706705.db2.gz NGGAXHFYXRWCMW-UHFFFAOYSA-N 2 1 337.508 2.084 20 30 EEEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200578304 1373055155 /nfs/dbraw/zinc/05/51/55/1373055155.db2.gz RLYWZIDRNSDZOD-KRWDZBQOSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100678323 1373117399 /nfs/dbraw/zinc/11/73/99/1373117399.db2.gz HJXLCMWPGKXHDA-KVULBXGLSA-N 2 1 345.890 2.436 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001367239059 1374141147 /nfs/dbraw/zinc/14/11/47/1374141147.db2.gz DNMAFUICRBLGQK-RHSMWYFYSA-N 2 1 348.516 2.334 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001367830184 1374278557 /nfs/dbraw/zinc/27/85/57/1374278557.db2.gz HBRJNUQSFXWZMR-MAUKXSAKSA-N 2 1 330.476 2.081 20 30 EEEDMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)C12CCC[NH+]1CCC2 ZINC001375073127 1377340366 /nfs/dbraw/zinc/34/03/66/1377340366.db2.gz MWPMIBVPCXGWPF-CQSZACIVSA-N 2 1 346.500 2.185 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)C12CCC[NH+]1CCC2 ZINC001375073127 1377340367 /nfs/dbraw/zinc/34/03/67/1377340367.db2.gz MWPMIBVPCXGWPF-CQSZACIVSA-N 2 1 346.500 2.185 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001378893651 1380243475 /nfs/dbraw/zinc/24/34/75/1380243475.db2.gz COANXJOPRSNMJD-PBHICJAKSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001392964850 1390263392 /nfs/dbraw/zinc/26/33/92/1390263392.db2.gz MPAZRDYKEOCPAE-INIZCTEOSA-N 2 1 346.500 2.233 20 30 EEEDMP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001398191515 1391790260 /nfs/dbraw/zinc/79/02/60/1391790260.db2.gz AWRCBHDGGSEUSW-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001398191515 1391790270 /nfs/dbraw/zinc/79/02/70/1391790270.db2.gz AWRCBHDGGSEUSW-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC001753051535 1406640808 /nfs/dbraw/zinc/64/08/08/1406640808.db2.gz GXVCCIDYOIDJDU-SFHVURJKSA-N 2 1 339.439 2.078 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1cc2ccccc2o1 ZINC001753051535 1406640813 /nfs/dbraw/zinc/64/08/13/1406640813.db2.gz GXVCCIDYOIDJDU-SFHVURJKSA-N 2 1 339.439 2.078 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cc2ccccc2o1 ZINC001753051535 1406640820 /nfs/dbraw/zinc/64/08/20/1406640820.db2.gz GXVCCIDYOIDJDU-SFHVURJKSA-N 2 1 339.439 2.078 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cc2ccccc2o1 ZINC001753051535 1406640827 /nfs/dbraw/zinc/64/08/27/1406640827.db2.gz GXVCCIDYOIDJDU-SFHVURJKSA-N 2 1 339.439 2.078 20 30 EEEDMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001422572829 1400034211 /nfs/dbraw/zinc/03/42/11/1400034211.db2.gz NYXKCGCDXRAKAE-QGZVFWFLSA-N 2 1 342.487 2.227 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001422828055 1400214193 /nfs/dbraw/zinc/21/41/93/1400214193.db2.gz SCPPQTHFFSCXPU-KSSFIOAISA-N 2 1 348.466 2.220 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001422828055 1400214201 /nfs/dbraw/zinc/21/42/01/1400214201.db2.gz SCPPQTHFFSCXPU-KSSFIOAISA-N 2 1 348.466 2.220 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001424170571 1400946118 /nfs/dbraw/zinc/94/61/18/1400946118.db2.gz LTVFQTPBBFYYRJ-HNNXBMFYSA-N 2 1 327.900 2.488 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001425876738 1401787078 /nfs/dbraw/zinc/78/70/78/1401787078.db2.gz FHZRANIWBZFCRP-KBXCAEBGSA-N 2 1 346.450 2.118 20 30 EEEDMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001426210679 1401959115 /nfs/dbraw/zinc/95/91/15/1401959115.db2.gz YXCPPRIWHCKRCM-UHFFFAOYSA-N 2 1 346.500 2.183 20 30 EEEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001755218929 1407231508 /nfs/dbraw/zinc/23/15/08/1407231508.db2.gz WKZGIDXRVWYAJF-AQFXKWCLSA-N 2 1 330.476 2.205 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001699761291 1405471415 /nfs/dbraw/zinc/47/14/15/1405471415.db2.gz GDOVUQPMWPKDCF-GOSISDBHSA-N 2 1 339.443 2.428 20 30 EEEDMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001731264561 1405840233 /nfs/dbraw/zinc/84/02/33/1405840233.db2.gz PSKMMKALSDXRMK-GOSISDBHSA-N 2 1 348.466 2.222 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001755427781 1407443958 /nfs/dbraw/zinc/44/39/58/1407443958.db2.gz JYJIPGUIZSDYIT-MKXGPGLRSA-N 2 1 333.520 2.369 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001755427781 1407443965 /nfs/dbraw/zinc/44/39/65/1407443965.db2.gz JYJIPGUIZSDYIT-MKXGPGLRSA-N 2 1 333.520 2.369 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001755427781 1407443966 /nfs/dbraw/zinc/44/39/66/1407443966.db2.gz JYJIPGUIZSDYIT-MKXGPGLRSA-N 2 1 333.520 2.369 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CCCCCF)CC2)CC1 ZINC001755900238 1407974711 /nfs/dbraw/zinc/97/47/11/1407974711.db2.gz YQLPUCFGBBQMOK-UHFFFAOYSA-N 2 1 349.494 2.220 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001100677035 1410693527 /nfs/dbraw/zinc/69/35/27/1410693527.db2.gz WSVZTDXYGDJKEY-WLYUNCDWSA-N 2 1 346.500 2.088 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461825 760942538 /nfs/dbraw/zinc/94/25/38/760942538.db2.gz SCSHJHNETNQGDS-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461825 760942543 /nfs/dbraw/zinc/94/25/43/760942543.db2.gz SCSHJHNETNQGDS-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461825 760942549 /nfs/dbraw/zinc/94/25/49/760942549.db2.gz SCSHJHNETNQGDS-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078547 782872164 /nfs/dbraw/zinc/87/21/64/782872164.db2.gz LXRWCDPOOASPRV-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088078547 782872171 /nfs/dbraw/zinc/87/21/71/782872171.db2.gz LXRWCDPOOASPRV-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088078547 782872178 /nfs/dbraw/zinc/87/21/78/782872178.db2.gz LXRWCDPOOASPRV-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473428 782894980 /nfs/dbraw/zinc/89/49/80/782894980.db2.gz GXMYEAWGKACFTL-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@@H](C)C1 ZINC000942717957 783048584 /nfs/dbraw/zinc/04/85/84/783048584.db2.gz AYQDPDYYOIAUED-DOTOQJQBSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942717957 783048587 /nfs/dbraw/zinc/04/85/87/783048587.db2.gz AYQDPDYYOIAUED-DOTOQJQBSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942717957 783048589 /nfs/dbraw/zinc/04/85/89/783048589.db2.gz AYQDPDYYOIAUED-DOTOQJQBSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCC[NH+]1CCCC1)C[C@H](C)O2 ZINC001131704717 783083886 /nfs/dbraw/zinc/08/38/86/783083886.db2.gz ZHSIHJGFCOTPIA-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=C)C ZINC001089654466 773904724 /nfs/dbraw/zinc/90/47/24/773904724.db2.gz ZXPSISZMZDPSAU-MSOLQXFVSA-N 2 1 331.504 2.267 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980167630 773993255 /nfs/dbraw/zinc/99/32/55/773993255.db2.gz FLKHOGPBVKXJDG-OKZBNKHCSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717898 774677780 /nfs/dbraw/zinc/67/77/80/774677780.db2.gz HRAAHMIVCQKKSA-SFHVURJKSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000939413030 776483708 /nfs/dbraw/zinc/48/37/08/776483708.db2.gz JCYPVUDOLATKIG-WBMJQRKESA-N 2 1 345.834 2.070 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089833498 777339103 /nfs/dbraw/zinc/33/91/03/777339103.db2.gz LATZXSJAPIJLPN-FFGOWVMKSA-N 2 1 348.450 2.140 20 30 EEEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000981768764 778184748 /nfs/dbraw/zinc/18/47/48/778184748.db2.gz RNYJLCCZZRSPEA-SFHVURJKSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC000981768764 778184753 /nfs/dbraw/zinc/18/47/53/778184753.db2.gz RNYJLCCZZRSPEA-SFHVURJKSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC000981768764 778184757 /nfs/dbraw/zinc/18/47/57/778184757.db2.gz RNYJLCCZZRSPEA-SFHVURJKSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](F)CC)C[C@]2(C)C1 ZINC000982298414 779621729 /nfs/dbraw/zinc/62/17/29/779621729.db2.gz DLGSVQVNXJQERX-QGZVKYPTSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@@H](F)CC)C[C@]2(C)C1 ZINC000982298414 779621739 /nfs/dbraw/zinc/62/17/39/779621739.db2.gz DLGSVQVNXJQERX-QGZVKYPTSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C[C@@H](F)CC)C[C@]2(C)C1 ZINC000982298414 779621743 /nfs/dbraw/zinc/62/17/43/779621743.db2.gz DLGSVQVNXJQERX-QGZVKYPTSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C[C@@H](F)CC)C[C@]2(C)C1 ZINC000982298414 779621750 /nfs/dbraw/zinc/62/17/50/779621750.db2.gz DLGSVQVNXJQERX-QGZVKYPTSA-N 2 1 349.494 2.003 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184914 784021987 /nfs/dbraw/zinc/02/19/87/784021987.db2.gz PWRNQBFGJVYVCS-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184914 784021988 /nfs/dbraw/zinc/02/19/88/784021988.db2.gz PWRNQBFGJVYVCS-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035184914 784021991 /nfs/dbraw/zinc/02/19/91/784021991.db2.gz PWRNQBFGJVYVCS-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035199812 784038683 /nfs/dbraw/zinc/03/86/83/784038683.db2.gz PQRILXAGQFNYEG-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199812 784038688 /nfs/dbraw/zinc/03/86/88/784038688.db2.gz PQRILXAGQFNYEG-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199812 784038696 /nfs/dbraw/zinc/03/86/96/784038696.db2.gz PQRILXAGQFNYEG-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035219926 784095956 /nfs/dbraw/zinc/09/59/56/784095956.db2.gz FMRILTMKILPOMB-UHFFFAOYSA-N 2 1 343.471 2.293 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107578855 787731911 /nfs/dbraw/zinc/73/19/11/787731911.db2.gz DSYPHBBLEVXGQK-UYAOXDASSA-N 2 1 342.487 2.356 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107578855 787731916 /nfs/dbraw/zinc/73/19/16/787731916.db2.gz DSYPHBBLEVXGQK-UYAOXDASSA-N 2 1 342.487 2.356 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946856621 788779297 /nfs/dbraw/zinc/77/92/97/788779297.db2.gz KOJACMZLLNHSDJ-YESZJQIVSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856621 788779303 /nfs/dbraw/zinc/77/93/03/788779303.db2.gz KOJACMZLLNHSDJ-YESZJQIVSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856621 788779307 /nfs/dbraw/zinc/77/93/07/788779307.db2.gz KOJACMZLLNHSDJ-YESZJQIVSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997099385 788782864 /nfs/dbraw/zinc/78/28/64/788782864.db2.gz FIIMJHCJNITOTD-IIAWOOMASA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997099385 788782869 /nfs/dbraw/zinc/78/28/69/788782869.db2.gz FIIMJHCJNITOTD-IIAWOOMASA-N 2 1 327.900 2.296 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997132396 789038900 /nfs/dbraw/zinc/03/89/00/789038900.db2.gz KVOBHVWEJMBKNO-WBVHZDCISA-N 2 1 328.460 2.001 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001089908917 789794991 /nfs/dbraw/zinc/79/49/91/789794991.db2.gz HHPKRDSYCVZPGD-VJANTYMQSA-N 2 1 331.504 2.217 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001091100124 789803357 /nfs/dbraw/zinc/80/33/57/789803357.db2.gz HQPFENOXYFWHCV-CTWPCTMYSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccnc1C ZINC001089909683 789828918 /nfs/dbraw/zinc/82/89/18/789828918.db2.gz YELRFLKCOFUTCA-HZMVEIRTSA-N 2 1 348.878 2.113 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089909683 789828928 /nfs/dbraw/zinc/82/89/28/789828928.db2.gz YELRFLKCOFUTCA-HZMVEIRTSA-N 2 1 348.878 2.113 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001146591875 791360688 /nfs/dbraw/zinc/36/06/88/791360688.db2.gz HUYVDUFIHHVQFH-DLBZAZTESA-N 2 1 347.478 2.390 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647633 792075300 /nfs/dbraw/zinc/07/53/00/792075300.db2.gz IYKZIDWELHDNDP-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148292811 792332251 /nfs/dbraw/zinc/33/22/51/792332251.db2.gz UREHRGBGBRMHBZ-UHFFFAOYSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148292811 792332264 /nfs/dbraw/zinc/33/22/64/792332264.db2.gz UREHRGBGBRMHBZ-UHFFFAOYSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148292811 792332277 /nfs/dbraw/zinc/33/22/77/792332277.db2.gz UREHRGBGBRMHBZ-UHFFFAOYSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148292811 792332288 /nfs/dbraw/zinc/33/22/88/792332288.db2.gz UREHRGBGBRMHBZ-UHFFFAOYSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001032629085 792579662 /nfs/dbraw/zinc/57/96/62/792579662.db2.gz SWDOFQLROUKHAI-SZMVWBNQSA-N 2 1 328.460 2.005 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001032629085 792579671 /nfs/dbraw/zinc/57/96/71/792579671.db2.gz SWDOFQLROUKHAI-SZMVWBNQSA-N 2 1 328.460 2.005 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738097 792598769 /nfs/dbraw/zinc/59/87/69/792598769.db2.gz QBVNEDSHGCDPOM-QFUCXCTJSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738097 792598775 /nfs/dbraw/zinc/59/87/75/792598775.db2.gz QBVNEDSHGCDPOM-QFUCXCTJSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738097 792598782 /nfs/dbraw/zinc/59/87/82/792598782.db2.gz QBVNEDSHGCDPOM-QFUCXCTJSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956094 793097524 /nfs/dbraw/zinc/09/75/24/793097524.db2.gz DZIZYGBURXGTBL-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC000992194192 793168685 /nfs/dbraw/zinc/16/86/85/793168685.db2.gz WYJXKRTZDMEUBB-ILZDJORESA-N 2 1 342.487 2.443 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC000992194192 793168688 /nfs/dbraw/zinc/16/86/88/793168688.db2.gz WYJXKRTZDMEUBB-ILZDJORESA-N 2 1 342.487 2.443 20 30 EEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001110126237 793461379 /nfs/dbraw/zinc/46/13/79/793461379.db2.gz MUOOOCZNPCYPLM-XWSJACJDSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001110126237 793461383 /nfs/dbraw/zinc/46/13/83/793461383.db2.gz MUOOOCZNPCYPLM-XWSJACJDSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001110126237 793461384 /nfs/dbraw/zinc/46/13/84/793461384.db2.gz MUOOOCZNPCYPLM-XWSJACJDSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001110126237 793461388 /nfs/dbraw/zinc/46/13/88/793461388.db2.gz MUOOOCZNPCYPLM-XWSJACJDSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001092690072 794264657 /nfs/dbraw/zinc/26/46/57/794264657.db2.gz ZRFCMLAOESWDCX-KURKYZTESA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001092690072 794264663 /nfs/dbraw/zinc/26/46/63/794264663.db2.gz ZRFCMLAOESWDCX-KURKYZTESA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001092690072 794264669 /nfs/dbraw/zinc/26/46/69/794264669.db2.gz ZRFCMLAOESWDCX-KURKYZTESA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001092690072 794264676 /nfs/dbraw/zinc/26/46/76/794264676.db2.gz ZRFCMLAOESWDCX-KURKYZTESA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC2CCC2)CC3)CC1 ZINC000992512343 794463647 /nfs/dbraw/zinc/46/36/47/794463647.db2.gz RXXFRXCQTZGPKI-FPOVZHCZSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094457254 796268026 /nfs/dbraw/zinc/26/80/26/796268026.db2.gz ZHVPGVKETVRGRZ-NLWGTHIKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094457254 796268028 /nfs/dbraw/zinc/26/80/28/796268028.db2.gz ZHVPGVKETVRGRZ-NLWGTHIKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094457254 796268031 /nfs/dbraw/zinc/26/80/31/796268031.db2.gz ZHVPGVKETVRGRZ-NLWGTHIKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094497281 796290558 /nfs/dbraw/zinc/29/05/58/796290558.db2.gz REMAOWGDDIRELJ-NLWGTHIKSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497281 796290561 /nfs/dbraw/zinc/29/05/61/796290561.db2.gz REMAOWGDDIRELJ-NLWGTHIKSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497281 796290571 /nfs/dbraw/zinc/29/05/71/796290571.db2.gz REMAOWGDDIRELJ-NLWGTHIKSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902898 796441421 /nfs/dbraw/zinc/44/14/21/796441421.db2.gz RQHGGKKVIRAGSO-UYAOXDASSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCC(=C)C)C2)CC1 ZINC001036903034 796441692 /nfs/dbraw/zinc/44/16/92/796441692.db2.gz ULMWOKUAHJRCNJ-WOJBJXKFSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2C)CC1 ZINC001080998233 796548345 /nfs/dbraw/zinc/54/83/45/796548345.db2.gz WMZKEDFXSOUOMI-VQIMIIECSA-N 2 1 345.531 2.204 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081097831 796631450 /nfs/dbraw/zinc/63/14/50/796631450.db2.gz HYDIFBJCAJOPIP-RCCFBDPRSA-N 2 1 347.890 2.417 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993820203 797050581 /nfs/dbraw/zinc/05/05/81/797050581.db2.gz JGXROQHTAGODEA-DOTOQJQBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993820203 797050586 /nfs/dbraw/zinc/05/05/86/797050586.db2.gz JGXROQHTAGODEA-DOTOQJQBSA-N 2 1 346.475 2.429 20 30 EEEDMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972041 797176132 /nfs/dbraw/zinc/17/61/32/797176132.db2.gz VXOMEJQWQOIEIR-PMPSAXMXSA-N 2 1 336.480 2.352 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176267316 798411832 /nfs/dbraw/zinc/41/18/32/798411832.db2.gz ANJXCQJWRMBLFF-KRWDZBQOSA-N 2 1 327.513 2.186 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766575 798441738 /nfs/dbraw/zinc/44/17/38/798441738.db2.gz DUFYSWZVLMZNRA-RTBURBONSA-N 2 1 331.504 2.217 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563770 798497479 /nfs/dbraw/zinc/49/74/79/798497479.db2.gz HEDSNTIIGOZARL-VQIMIIECSA-N 2 1 342.487 2.275 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014701 798610492 /nfs/dbraw/zinc/61/04/92/798610492.db2.gz XOMLKHXRRUXJBQ-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014701 798610495 /nfs/dbraw/zinc/61/04/95/798610495.db2.gz XOMLKHXRRUXJBQ-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176844595 798617950 /nfs/dbraw/zinc/61/79/50/798617950.db2.gz LSEDYJARVCTVHM-HDICACEKSA-N 2 1 327.472 2.007 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085033094 798623517 /nfs/dbraw/zinc/62/35/17/798623517.db2.gz QDNFZFGCGVVELX-AOIWGVFYSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085033094 798623520 /nfs/dbraw/zinc/62/35/20/798623520.db2.gz QDNFZFGCGVVELX-AOIWGVFYSA-N 2 1 342.487 2.253 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101582 798674857 /nfs/dbraw/zinc/67/48/57/798674857.db2.gz RYNAVBOGHGDURW-AABGKKOBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181729105 800882436 /nfs/dbraw/zinc/88/24/36/800882436.db2.gz VTVGUWGSBJBDAU-YVWKXTFCSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816830 801361506 /nfs/dbraw/zinc/36/15/06/801361506.db2.gz HHDWILMSGJHMFB-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816830 801361514 /nfs/dbraw/zinc/36/15/14/801361514.db2.gz HHDWILMSGJHMFB-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001004459313 802124616 /nfs/dbraw/zinc/12/46/16/802124616.db2.gz SIKKMTRHLWBYJP-ZWKOTPCHSA-N 2 1 340.471 2.097 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001004459313 802124622 /nfs/dbraw/zinc/12/46/22/802124622.db2.gz SIKKMTRHLWBYJP-ZWKOTPCHSA-N 2 1 340.471 2.097 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001184702506 802138222 /nfs/dbraw/zinc/13/82/22/802138222.db2.gz ZUGHYIZWWQNVQH-LSDHHAIUSA-N 2 1 334.464 2.000 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001184681956 802149516 /nfs/dbraw/zinc/14/95/16/802149516.db2.gz ACUDFWDNBLEHAL-SJORKVTESA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004508943 802246818 /nfs/dbraw/zinc/24/68/18/802246818.db2.gz VVPRYEIPHXNXTC-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621009 802255455 /nfs/dbraw/zinc/25/54/55/802255455.db2.gz GLVYMKKQBMAMNX-ZCNNSNEGSA-N 2 1 345.531 2.158 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621009 802255459 /nfs/dbraw/zinc/25/54/59/802255459.db2.gz GLVYMKKQBMAMNX-ZCNNSNEGSA-N 2 1 345.531 2.158 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621009 802255462 /nfs/dbraw/zinc/25/54/62/802255462.db2.gz GLVYMKKQBMAMNX-ZCNNSNEGSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)CC)C[C@H]2CC1 ZINC000946627734 802366096 /nfs/dbraw/zinc/36/60/96/802366096.db2.gz CSSQUILNDBZKGP-ZRNYENFQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)CC)C[C@H]2CC1 ZINC000946627734 802366104 /nfs/dbraw/zinc/36/61/04/802366104.db2.gz CSSQUILNDBZKGP-ZRNYENFQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)CC)C[C@H]2CC1 ZINC000946627734 802366111 /nfs/dbraw/zinc/36/61/11/802366111.db2.gz CSSQUILNDBZKGP-ZRNYENFQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)CC)C[C@H]2CC1 ZINC000946627734 802366119 /nfs/dbraw/zinc/36/61/19/802366119.db2.gz CSSQUILNDBZKGP-ZRNYENFQSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001086399742 802896886 /nfs/dbraw/zinc/89/68/86/802896886.db2.gz KPGCEONHOMRXFX-YHUYYLMFSA-N 2 1 325.884 2.240 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCO[C@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001108354988 803358914 /nfs/dbraw/zinc/35/89/14/803358914.db2.gz SNZMIGWHOIZGHK-PKOBYXMFSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354988 803358923 /nfs/dbraw/zinc/35/89/23/803358923.db2.gz SNZMIGWHOIZGHK-PKOBYXMFSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354988 803358927 /nfs/dbraw/zinc/35/89/27/803358927.db2.gz SNZMIGWHOIZGHK-PKOBYXMFSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCC[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001113345690 808783960 /nfs/dbraw/zinc/78/39/60/808783960.db2.gz CBNIOQSRWKLERX-GOSISDBHSA-N 2 1 325.472 2.309 20 30 EEEDMP C=CCCC[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001113345690 808783965 /nfs/dbraw/zinc/78/39/65/808783965.db2.gz CBNIOQSRWKLERX-GOSISDBHSA-N 2 1 325.472 2.309 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001129770342 810993338 /nfs/dbraw/zinc/99/33/38/810993338.db2.gz DOOCNMMZZJLAKO-IBGZPJMESA-N 2 1 341.499 2.288 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001129770342 810993348 /nfs/dbraw/zinc/99/33/48/810993348.db2.gz DOOCNMMZZJLAKO-IBGZPJMESA-N 2 1 341.499 2.288 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001131667166 813097435 /nfs/dbraw/zinc/09/74/35/813097435.db2.gz YPUOQDQISKRWGD-XLIONFOSSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001131667166 813097443 /nfs/dbraw/zinc/09/74/43/813097443.db2.gz YPUOQDQISKRWGD-XLIONFOSSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001131667166 813097451 /nfs/dbraw/zinc/09/74/51/813097451.db2.gz YPUOQDQISKRWGD-XLIONFOSSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001437024928 1088822198 /nfs/dbraw/zinc/82/21/98/1088822198.db2.gz VGXGZPVVIMAXGM-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438527353 1091020680 /nfs/dbraw/zinc/02/06/80/1091020680.db2.gz FUAKOTWPHATOEP-MRXNPFEDSA-N 2 1 344.503 2.378 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccccc1C#N ZINC001438936268 1091619276 /nfs/dbraw/zinc/61/92/76/1091619276.db2.gz GLXMNAYGJBCEAV-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccccc1C#N ZINC001441890872 1096026958 /nfs/dbraw/zinc/02/69/58/1096026958.db2.gz IHICNYVDVZUBDR-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccccc1C#N ZINC001441890872 1096026968 /nfs/dbraw/zinc/02/69/68/1096026968.db2.gz IHICNYVDVZUBDR-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCC2)C1 ZINC001502000339 1113553534 /nfs/dbraw/zinc/55/35/34/1113553534.db2.gz ZYCALJZRUXZZLZ-MRXNPFEDSA-N 2 1 340.471 2.029 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001505443152 1113977449 /nfs/dbraw/zinc/97/74/49/1113977449.db2.gz FGYMHCAMIWBMFJ-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000130927369 223188246 /nfs/dbraw/zinc/18/82/46/223188246.db2.gz QUYKXRQSYXYDMH-CQSZACIVSA-N 2 1 325.416 2.412 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000130927369 223188249 /nfs/dbraw/zinc/18/82/49/223188249.db2.gz QUYKXRQSYXYDMH-CQSZACIVSA-N 2 1 325.416 2.412 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000072811327 216310009 /nfs/dbraw/zinc/31/00/09/216310009.db2.gz HOITWMIOTNHACO-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1cc(OCC)ccc1OCC ZINC000491704849 533099947 /nfs/dbraw/zinc/09/99/47/533099947.db2.gz BXXCNFMBFKZCSB-UHFFFAOYSA-N 2 1 332.448 2.375 20 30 EEEDMP CC(C)[NH+](C)CCNc1nc(NCC[N@H+](C)C(C)C)ccc1C#N ZINC000195254061 256008563 /nfs/dbraw/zinc/00/85/63/256008563.db2.gz LEWYVWKMVSLWCK-UHFFFAOYSA-N 2 1 332.496 2.457 20 30 EEEDMP CC(C)[NH+](C)CCNc1ccc(C#N)c(NCC[N@H+](C)C(C)C)n1 ZINC000195254061 256008566 /nfs/dbraw/zinc/00/85/66/256008566.db2.gz LEWYVWKMVSLWCK-UHFFFAOYSA-N 2 1 332.496 2.457 20 30 EEEDMP CC(C)[NH+](C)CCNc1ccc(C#N)c(NCC[N@@H+](C)C(C)C)n1 ZINC000195254061 256008569 /nfs/dbraw/zinc/00/85/69/256008569.db2.gz LEWYVWKMVSLWCK-UHFFFAOYSA-N 2 1 332.496 2.457 20 30 EEEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000339428270 465264862 /nfs/dbraw/zinc/26/48/62/465264862.db2.gz HCVHWABKDQAGAW-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000339428270 465264865 /nfs/dbraw/zinc/26/48/65/465264865.db2.gz HCVHWABKDQAGAW-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000339428270 465264867 /nfs/dbraw/zinc/26/48/67/465264867.db2.gz HCVHWABKDQAGAW-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C#CCCOc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000289470379 464080182 /nfs/dbraw/zinc/08/01/82/464080182.db2.gz PJMGXWTXHBSDPH-UHFFFAOYSA-N 2 1 329.488 2.158 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000579704449 468398829 /nfs/dbraw/zinc/39/88/29/468398829.db2.gz ACDBFRKHWJRJGX-LPHOPBHVSA-N 2 1 330.472 2.395 20 30 EEEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292937301 464378458 /nfs/dbraw/zinc/37/84/58/464378458.db2.gz JNQZOAJCXKDVAE-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292937301 464378464 /nfs/dbraw/zinc/37/84/64/464378464.db2.gz JNQZOAJCXKDVAE-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292937301 464378471 /nfs/dbraw/zinc/37/84/71/464378471.db2.gz JNQZOAJCXKDVAE-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266916871 464869711 /nfs/dbraw/zinc/86/97/11/464869711.db2.gz KSIQVJLZMFOROV-LSDHHAIUSA-N 2 1 329.448 2.320 20 30 EEEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266916871 464869714 /nfs/dbraw/zinc/86/97/14/464869714.db2.gz KSIQVJLZMFOROV-LSDHHAIUSA-N 2 1 329.448 2.320 20 30 EEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C(C)C ZINC000343250573 465493650 /nfs/dbraw/zinc/49/36/50/465493650.db2.gz ZYYBYHWEQBPCKT-ZGXWSNOMSA-N 2 1 335.536 2.432 20 30 EEEDMP N#CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000595619772 468926625 /nfs/dbraw/zinc/92/66/25/468926625.db2.gz GXFPWUSNNLOLRJ-INIZCTEOSA-N 2 1 346.500 2.018 20 30 EEEDMP N#CC[C@@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000595619772 468926631 /nfs/dbraw/zinc/92/66/31/468926631.db2.gz GXFPWUSNNLOLRJ-INIZCTEOSA-N 2 1 346.500 2.018 20 30 EEEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845384 469112242 /nfs/dbraw/zinc/11/22/42/469112242.db2.gz JEBZWFITDYLIBJ-INIZCTEOSA-N 2 1 349.438 2.493 20 30 EEEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845384 469112244 /nfs/dbraw/zinc/11/22/44/469112244.db2.gz JEBZWFITDYLIBJ-INIZCTEOSA-N 2 1 349.438 2.493 20 30 EEEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845390 469113452 /nfs/dbraw/zinc/11/34/52/469113452.db2.gz JIDAYFHUCXIKGM-VQIMIIECSA-N 2 1 343.475 2.037 20 30 EEEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845390 469113456 /nfs/dbraw/zinc/11/34/56/469113456.db2.gz JIDAYFHUCXIKGM-VQIMIIECSA-N 2 1 343.475 2.037 20 30 EEEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000602564586 469362867 /nfs/dbraw/zinc/36/28/67/469362867.db2.gz UPBLKFXBSBXOHV-UHFFFAOYSA-N 2 1 336.439 2.200 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168021205 782134025 /nfs/dbraw/zinc/13/40/25/782134025.db2.gz CJUFPXJPCBVXMV-KGLIPLIRSA-N 2 1 344.297 2.008 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728254 782141347 /nfs/dbraw/zinc/14/13/47/782141347.db2.gz MTDBXULPZPFGIH-RBUKOAKNSA-N 2 1 327.472 2.007 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC000749546305 577977870 /nfs/dbraw/zinc/97/78/70/577977870.db2.gz OQDJDNVKNFOFLE-NEWSRXKRSA-N 2 1 329.444 2.272 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(OCC#N)cc1 ZINC000749546305 577977871 /nfs/dbraw/zinc/97/78/71/577977871.db2.gz OQDJDNVKNFOFLE-NEWSRXKRSA-N 2 1 329.444 2.272 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338261 675794318 /nfs/dbraw/zinc/79/43/18/675794318.db2.gz LIZYJLUNDAGILA-ZBFHGGJFSA-N 2 1 330.476 2.157 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371317 679277739 /nfs/dbraw/zinc/27/77/39/679277739.db2.gz XMNUFZLYKJCJFZ-RTBURBONSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023371317 679277741 /nfs/dbraw/zinc/27/77/41/679277741.db2.gz XMNUFZLYKJCJFZ-RTBURBONSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023371317 679277744 /nfs/dbraw/zinc/27/77/44/679277744.db2.gz XMNUFZLYKJCJFZ-RTBURBONSA-N 2 1 345.531 2.493 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC001024365992 679883503 /nfs/dbraw/zinc/88/35/03/679883503.db2.gz LSJXKQOZMRMZQM-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001024365992 679883504 /nfs/dbraw/zinc/88/35/04/679883504.db2.gz LSJXKQOZMRMZQM-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001024365992 679883505 /nfs/dbraw/zinc/88/35/05/679883505.db2.gz LSJXKQOZMRMZQM-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001024365992 679883506 /nfs/dbraw/zinc/88/35/06/679883506.db2.gz LSJXKQOZMRMZQM-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000984798811 685273686 /nfs/dbraw/zinc/27/36/86/685273686.db2.gz CAQANJHJTQVOOT-ATZDWAIDSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001028600801 681347050 /nfs/dbraw/zinc/34/70/50/681347050.db2.gz DLUUBWUETPJTKI-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001028600801 681347054 /nfs/dbraw/zinc/34/70/54/681347054.db2.gz DLUUBWUETPJTKI-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001028600801 681347059 /nfs/dbraw/zinc/34/70/59/681347059.db2.gz DLUUBWUETPJTKI-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001028600801 681347063 /nfs/dbraw/zinc/34/70/63/681347063.db2.gz DLUUBWUETPJTKI-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001028600801 681347066 /nfs/dbraw/zinc/34/70/66/681347066.db2.gz DLUUBWUETPJTKI-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982726237 682111758 /nfs/dbraw/zinc/11/17/58/682111758.db2.gz SVWMZHPRXUFFRJ-UKAVVXHISA-N 2 1 345.531 2.301 20 30 EEEDMP C[NH+]=C(NCCN1CCC[C@H](C)C1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261953292 682624259 /nfs/dbraw/zinc/62/42/59/682624259.db2.gz IBGBEIJZNLOIGA-BZSNNMDCSA-N 3 1 346.523 2.073 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CCc2ccccc21)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262755430 688352802 /nfs/dbraw/zinc/35/28/02/688352802.db2.gz DCVUUCZUDYPSMT-LPHOPBHVSA-N 2 1 346.544 2.319 20 30 EEEDMP C[NH+]=C(NCc1cc(F)ccc1SC)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262770665 688413531 /nfs/dbraw/zinc/41/35/31/688413531.db2.gz IOVZMHGTRZSTKB-AWEZNQCLSA-N 2 1 336.480 2.449 20 30 EEEDMP C[NH+]=C(NCc1cc(F)ccc1SC)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262770665 688413535 /nfs/dbraw/zinc/41/35/35/688413535.db2.gz IOVZMHGTRZSTKB-AWEZNQCLSA-N 2 1 336.480 2.449 20 30 EEEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCc2ccccc21 ZINC000262782817 688455142 /nfs/dbraw/zinc/45/51/42/688455142.db2.gz LNBZBAOYVLLKIG-GOSISDBHSA-N 2 1 332.517 2.452 20 30 EEEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988966338 691332858 /nfs/dbraw/zinc/33/28/58/691332858.db2.gz LEKXCCQLULIFHX-CRAIPNDOSA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977646215 692875582 /nfs/dbraw/zinc/87/55/82/692875582.db2.gz WBZDIYDQHUOUNC-GOSISDBHSA-N 2 1 327.472 2.212 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628564 693641180 /nfs/dbraw/zinc/64/11/80/693641180.db2.gz FEHWGVKNPVGVDQ-MRXNPFEDSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628564 693641183 /nfs/dbraw/zinc/64/11/83/693641183.db2.gz FEHWGVKNPVGVDQ-MRXNPFEDSA-N 2 1 327.900 2.394 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943770891 1192554707 /nfs/dbraw/zinc/55/47/07/1192554707.db2.gz BMKBSBAWPAHWGN-YJBOKZPZSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943770891 1192554711 /nfs/dbraw/zinc/55/47/11/1192554711.db2.gz BMKBSBAWPAHWGN-YJBOKZPZSA-N 2 1 339.443 2.284 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001266467939 1176592077 /nfs/dbraw/zinc/59/20/77/1176592077.db2.gz GUKKDMQHMFMJIS-UXHICEINSA-N 2 1 341.499 2.205 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001266467939 1176592083 /nfs/dbraw/zinc/59/20/83/1176592083.db2.gz GUKKDMQHMFMJIS-UXHICEINSA-N 2 1 341.499 2.205 20 30 EEEDMP C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001105428877 1187037163 /nfs/dbraw/zinc/03/71/63/1187037163.db2.gz FCCVWEDSBKRUGS-RVWIWJKTSA-N 2 1 341.499 2.156 20 30 EEEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001105544912 1188166642 /nfs/dbraw/zinc/16/66/42/1188166642.db2.gz YSBZGJGWEKSTPN-KURKYZTESA-N 2 1 349.519 2.033 20 30 EEEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001105544912 1188166644 /nfs/dbraw/zinc/16/66/44/1188166644.db2.gz YSBZGJGWEKSTPN-KURKYZTESA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000991064329 1189766443 /nfs/dbraw/zinc/76/64/43/1189766443.db2.gz CWHRBDQDJTYSEF-QWFCFKBJSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991064329 1189766447 /nfs/dbraw/zinc/76/64/47/1189766447.db2.gz CWHRBDQDJTYSEF-QWFCFKBJSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991064329 1189766452 /nfs/dbraw/zinc/76/64/52/1189766452.db2.gz CWHRBDQDJTYSEF-QWFCFKBJSA-N 2 1 331.504 2.386 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001272478525 1190843887 /nfs/dbraw/zinc/84/38/87/1190843887.db2.gz MDVZWTMTDXRYPQ-IBGZPJMESA-N 2 1 348.491 2.157 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033698959 1195109084 /nfs/dbraw/zinc/10/90/84/1195109084.db2.gz GSZIGAZOLKNOEZ-MRXNPFEDSA-N 2 1 331.460 2.291 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033698959 1195109087 /nfs/dbraw/zinc/10/90/87/1195109087.db2.gz GSZIGAZOLKNOEZ-MRXNPFEDSA-N 2 1 331.460 2.291 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033775854 1195258554 /nfs/dbraw/zinc/25/85/54/1195258554.db2.gz OHGXRNQBOKTCAF-PBHICJAKSA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033775854 1195258556 /nfs/dbraw/zinc/25/85/56/1195258556.db2.gz OHGXRNQBOKTCAF-PBHICJAKSA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033775854 1195258560 /nfs/dbraw/zinc/25/85/60/1195258560.db2.gz OHGXRNQBOKTCAF-PBHICJAKSA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033775854 1195258563 /nfs/dbraw/zinc/25/85/63/1195258563.db2.gz OHGXRNQBOKTCAF-PBHICJAKSA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001033777251 1195260780 /nfs/dbraw/zinc/26/07/80/1195260780.db2.gz UDHSSRRMXPGMJZ-PMACEKPBSA-N 2 1 339.483 2.055 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001033935000 1195544129 /nfs/dbraw/zinc/54/41/29/1195544129.db2.gz BAHGIZVDTDJLAQ-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033935000 1195544132 /nfs/dbraw/zinc/54/41/32/1195544132.db2.gz BAHGIZVDTDJLAQ-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033935000 1195544136 /nfs/dbraw/zinc/54/41/36/1195544136.db2.gz BAHGIZVDTDJLAQ-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001034046970 1195698890 /nfs/dbraw/zinc/69/88/90/1195698890.db2.gz WUFHOSRNJWNLNQ-LJQANCHMSA-N 2 1 331.504 2.221 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001034404139 1196197077 /nfs/dbraw/zinc/19/70/77/1196197077.db2.gz GWQRBEGQJYWUGL-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034404139 1196197079 /nfs/dbraw/zinc/19/70/79/1196197079.db2.gz GWQRBEGQJYWUGL-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034404139 1196197080 /nfs/dbraw/zinc/19/70/80/1196197080.db2.gz GWQRBEGQJYWUGL-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001410890006 1198541727 /nfs/dbraw/zinc/54/17/27/1198541727.db2.gz SAYLBDYPVZBMKI-RHSMWYFYSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132374901 1199636370 /nfs/dbraw/zinc/63/63/70/1199636370.db2.gz AOUBDKDRYQLTIW-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000888777305 1201136992 /nfs/dbraw/zinc/13/69/92/1201136992.db2.gz NVAJRHJLSNTBKQ-KSZLIROESA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000888777305 1201136996 /nfs/dbraw/zinc/13/69/96/1201136996.db2.gz NVAJRHJLSNTBKQ-KSZLIROESA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000888777305 1201136997 /nfs/dbraw/zinc/13/69/97/1201136997.db2.gz NVAJRHJLSNTBKQ-KSZLIROESA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000888777305 1201136998 /nfs/dbraw/zinc/13/69/98/1201136998.db2.gz NVAJRHJLSNTBKQ-KSZLIROESA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)C1 ZINC000887986483 1204526725 /nfs/dbraw/zinc/52/67/25/1204526725.db2.gz ZRYCXLCHIWDNID-SJORKVTESA-N 2 1 346.475 2.059 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)C1 ZINC000887986483 1204526727 /nfs/dbraw/zinc/52/67/27/1204526727.db2.gz ZRYCXLCHIWDNID-SJORKVTESA-N 2 1 346.475 2.059 20 30 EEEDMP CC(C)CCC[C@H](C)NC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000104183188 1204613374 /nfs/dbraw/zinc/61/33/74/1204613374.db2.gz ZVAOJIQZOULRRW-KRWDZBQOSA-N 2 1 325.545 2.133 20 30 EEEDMP CC(C)CCC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000104183188 1204613375 /nfs/dbraw/zinc/61/33/75/1204613375.db2.gz ZVAOJIQZOULRRW-KRWDZBQOSA-N 2 1 325.545 2.133 20 30 EEEDMP CC(C)CCC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000104183188 1204613376 /nfs/dbraw/zinc/61/33/76/1204613376.db2.gz ZVAOJIQZOULRRW-KRWDZBQOSA-N 2 1 325.545 2.133 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857475 1204926833 /nfs/dbraw/zinc/92/68/33/1204926833.db2.gz CFAHWLRYFGDXAA-KURKYZTESA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@@H]3CCCN3C)n[nH]1)C2 ZINC001095442351 1205758587 /nfs/dbraw/zinc/75/85/87/1205758587.db2.gz XENATGWWJKUMLH-BODMPHMZSA-N 2 1 343.475 2.088 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000924142754 1205937584 /nfs/dbraw/zinc/93/75/84/1205937584.db2.gz LLRGTBJWRINGGY-RBUKOAKNSA-N 2 1 327.472 2.085 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111018391 1207473221 /nfs/dbraw/zinc/47/32/21/1207473221.db2.gz SPTUHGGUELUJKH-BDXSIMOUSA-N 2 1 337.508 2.031 20 30 EEEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000932387986 1207595321 /nfs/dbraw/zinc/59/53/21/1207595321.db2.gz PZMYJAMQWZOFHQ-UHFFFAOYSA-N 2 1 341.499 2.419 20 30 EEEDMP C#CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000932387986 1207595324 /nfs/dbraw/zinc/59/53/24/1207595324.db2.gz PZMYJAMQWZOFHQ-UHFFFAOYSA-N 2 1 341.499 2.419 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111040569 1207675987 /nfs/dbraw/zinc/67/59/87/1207675987.db2.gz QWLJCKVQLAOYMP-MANSERQUSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCN1CCOCC1)C2 ZINC001111147374 1208288468 /nfs/dbraw/zinc/28/84/68/1208288468.db2.gz XWHSTLLLPDSSQZ-QRVBRYPASA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147374 1208288472 /nfs/dbraw/zinc/28/84/72/1208288472.db2.gz XWHSTLLLPDSSQZ-QRVBRYPASA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147374 1208288474 /nfs/dbraw/zinc/28/84/74/1208288474.db2.gz XWHSTLLLPDSSQZ-QRVBRYPASA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000948770449 1209363403 /nfs/dbraw/zinc/36/34/03/1209363403.db2.gz IRMGASUQRPGYPX-FQEVSTJZSA-N 2 1 341.499 2.350 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)CCO2 ZINC000949188853 1209569056 /nfs/dbraw/zinc/56/90/56/1209569056.db2.gz BPSABNWGLCFSLG-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000949385801 1209660900 /nfs/dbraw/zinc/66/09/00/1209660900.db2.gz BKNZBIONXBCKQS-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000949385801 1209660901 /nfs/dbraw/zinc/66/09/01/1209660901.db2.gz BKNZBIONXBCKQS-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000949385801 1209660902 /nfs/dbraw/zinc/66/09/02/1209660902.db2.gz BKNZBIONXBCKQS-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000949385801 1209660903 /nfs/dbraw/zinc/66/09/03/1209660903.db2.gz BKNZBIONXBCKQS-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496270 1212114775 /nfs/dbraw/zinc/11/47/75/1212114775.db2.gz JFHCZOFLZHYNFY-WOGUSJMUSA-N 2 1 342.487 2.309 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961369623 1217161557 /nfs/dbraw/zinc/16/15/57/1217161557.db2.gz YKZGYAKIFMSGKT-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961369623 1217161558 /nfs/dbraw/zinc/16/15/58/1217161558.db2.gz YKZGYAKIFMSGKT-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961369623 1217161560 /nfs/dbraw/zinc/16/15/60/1217161560.db2.gz YKZGYAKIFMSGKT-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000963801339 1218045674 /nfs/dbraw/zinc/04/56/74/1218045674.db2.gz RMNPZVOSOMBYHI-FKXCTXBZSA-N 2 1 331.504 2.454 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486197 1219786942 /nfs/dbraw/zinc/78/69/42/1219786942.db2.gz CMHDVXFDIJJUQZ-ZBFHGGJFSA-N 2 1 333.501 2.273 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486197 1219786944 /nfs/dbraw/zinc/78/69/44/1219786944.db2.gz CMHDVXFDIJJUQZ-ZBFHGGJFSA-N 2 1 333.501 2.273 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(=C)C)CC[C@H]2C)CC1 ZINC000968682357 1221487582 /nfs/dbraw/zinc/48/75/82/1221487582.db2.gz QBFOYEIAKNNFRQ-IEBWSBKVSA-N 2 1 331.504 2.124 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927420 1221615381 /nfs/dbraw/zinc/61/53/81/1221615381.db2.gz OSYGNMRRISDGLR-VQFNDLOPSA-N 2 1 330.476 2.409 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927420 1221615385 /nfs/dbraw/zinc/61/53/85/1221615385.db2.gz OSYGNMRRISDGLR-VQFNDLOPSA-N 2 1 330.476 2.409 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024128 1221748540 /nfs/dbraw/zinc/74/85/40/1221748540.db2.gz ZGPHUUUPWAXVDJ-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024128 1221748544 /nfs/dbraw/zinc/74/85/44/1221748544.db2.gz ZGPHUUUPWAXVDJ-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(Cl)CN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007493851 1222258828 /nfs/dbraw/zinc/25/88/28/1222258828.db2.gz VSYNZZZDCSVNTQ-JKSUJKDBSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001016337234 1226362209 /nfs/dbraw/zinc/36/22/09/1226362209.db2.gz QEGDISDWIFGSAQ-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001016818079 1226901665 /nfs/dbraw/zinc/90/16/65/1226901665.db2.gz BHIAMOKWMODRDG-JXFKEZNVSA-N 2 1 349.494 2.193 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCC(C)CC2)CC1 ZINC001039042775 1230258920 /nfs/dbraw/zinc/25/89/20/1230258920.db2.gz WMWDRSOEAQPARD-QLOJAFMTSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001039134735 1230346460 /nfs/dbraw/zinc/34/64/60/1230346460.db2.gz UWUNPNWUYGFKHV-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001039134735 1230346464 /nfs/dbraw/zinc/34/64/64/1230346464.db2.gz UWUNPNWUYGFKHV-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039134735 1230346468 /nfs/dbraw/zinc/34/64/68/1230346468.db2.gz UWUNPNWUYGFKHV-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039134735 1230346470 /nfs/dbraw/zinc/34/64/70/1230346470.db2.gz UWUNPNWUYGFKHV-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167605 1230391214 /nfs/dbraw/zinc/39/12/14/1230391214.db2.gz YHQQZSNVHXJPGN-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039447794 1230615755 /nfs/dbraw/zinc/61/57/55/1230615755.db2.gz KFSSDJIXILHMEO-OTWHNJEPSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039458266 1230624999 /nfs/dbraw/zinc/62/49/99/1230624999.db2.gz MXBSTMNWINWMEC-UXHICEINSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040280419 1231149756 /nfs/dbraw/zinc/14/97/56/1231149756.db2.gz GXKUCDVCFQOXDF-HXUWFJFHSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](C/C=C/Cl)[C@H]3C2)CC1 ZINC001042367591 1232049391 /nfs/dbraw/zinc/04/93/91/1232049391.db2.gz IICQWIFFDCKTIC-JWRCTZPZSA-N 2 1 349.906 2.007 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938475 1234193226 /nfs/dbraw/zinc/19/32/26/1234193226.db2.gz BYPWGMMEQPJGRG-QWFCFKBJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045938475 1234193228 /nfs/dbraw/zinc/19/32/28/1234193228.db2.gz BYPWGMMEQPJGRG-QWFCFKBJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045938475 1234193231 /nfs/dbraw/zinc/19/32/31/1234193231.db2.gz BYPWGMMEQPJGRG-QWFCFKBJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943525 1234202785 /nfs/dbraw/zinc/20/27/85/1234202785.db2.gz KGYONYOKEYXGFG-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045949162 1234213592 /nfs/dbraw/zinc/21/35/92/1234213592.db2.gz ZBHOQJSOJBUZTE-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949162 1234213596 /nfs/dbraw/zinc/21/35/96/1234213596.db2.gz ZBHOQJSOJBUZTE-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949162 1234213601 /nfs/dbraw/zinc/21/36/01/1234213601.db2.gz ZBHOQJSOJBUZTE-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045965633 1234244396 /nfs/dbraw/zinc/24/43/96/1234244396.db2.gz JTVLHEQPOXIFBN-NRFANRHFSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045966676 1234246851 /nfs/dbraw/zinc/24/68/51/1234246851.db2.gz CGNYIQGQAMCDDQ-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001045966676 1234246853 /nfs/dbraw/zinc/24/68/53/1234246853.db2.gz CGNYIQGQAMCDDQ-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001045966676 1234246856 /nfs/dbraw/zinc/24/68/56/1234246856.db2.gz CGNYIQGQAMCDDQ-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C[C@H](C#N)OCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000801926414 1236448119 /nfs/dbraw/zinc/44/81/19/1236448119.db2.gz QAWHWSUPCWILLY-QGZVFWFLSA-N 2 1 336.524 2.043 20 30 EEEDMP C[C@H](C#N)OCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000801926414 1236448120 /nfs/dbraw/zinc/44/81/20/1236448120.db2.gz QAWHWSUPCWILLY-QGZVFWFLSA-N 3 1 336.524 2.043 20 30 EEEDMP C[C@H](C#N)OCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000801926414 1236448123 /nfs/dbraw/zinc/44/81/23/1236448123.db2.gz QAWHWSUPCWILLY-QGZVFWFLSA-N 3 1 336.524 2.043 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048819540 1238736350 /nfs/dbraw/zinc/73/63/50/1238736350.db2.gz UUKIFVOXUUOMFI-WCXIOVBPSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048819540 1238736362 /nfs/dbraw/zinc/73/63/62/1238736362.db2.gz UUKIFVOXUUOMFI-WCXIOVBPSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048819540 1238736371 /nfs/dbraw/zinc/73/63/71/1238736371.db2.gz UUKIFVOXUUOMFI-WCXIOVBPSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]2C1 ZINC001048845832 1238945275 /nfs/dbraw/zinc/94/52/75/1238945275.db2.gz NDBHQZJQVFBSBT-IYBDPMFKSA-N 2 1 333.501 2.390 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000020359 1239821555 /nfs/dbraw/zinc/82/15/55/1239821555.db2.gz LWYDZZKENBEHOI-CABCVRRESA-N 2 1 336.867 2.087 20 30 EEEDMP N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000903449443 1240498593 /nfs/dbraw/zinc/49/85/93/1240498593.db2.gz AXMMNZDBDLYOHT-MRXNPFEDSA-N 2 1 334.851 2.031 20 30 EEEDMP N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000903449443 1240498600 /nfs/dbraw/zinc/49/86/00/1240498600.db2.gz AXMMNZDBDLYOHT-MRXNPFEDSA-N 2 1 334.851 2.031 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478358 1241075947 /nfs/dbraw/zinc/07/59/47/1241075947.db2.gz NEFQHEPITZVWTB-GVDBMIGSSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478358 1241075952 /nfs/dbraw/zinc/07/59/52/1241075952.db2.gz NEFQHEPITZVWTB-GVDBMIGSSA-N 2 1 337.895 2.146 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049524908 1241245303 /nfs/dbraw/zinc/24/53/03/1241245303.db2.gz OQHUJRMYYWPWLH-CEXWTWQISA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049524908 1241245321 /nfs/dbraw/zinc/24/53/21/1241245321.db2.gz OQHUJRMYYWPWLH-CEXWTWQISA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049524908 1241245334 /nfs/dbraw/zinc/24/53/34/1241245334.db2.gz OQHUJRMYYWPWLH-CEXWTWQISA-N 2 1 331.504 2.338 20 30 EEEDMP C=CCC[N@H+]1CC=C(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001303336 1242015382 /nfs/dbraw/zinc/01/53/82/1242015382.db2.gz FTUFHAYRUHAPLD-UHFFFAOYSA-N 2 1 337.427 2.205 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001303336 1242015387 /nfs/dbraw/zinc/01/53/87/1242015387.db2.gz FTUFHAYRUHAPLD-UHFFFAOYSA-N 2 1 337.427 2.205 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049760749 1242114368 /nfs/dbraw/zinc/11/43/68/1242114368.db2.gz BTABDZPTGHYBJR-ROUUACIJSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049760749 1242114377 /nfs/dbraw/zinc/11/43/77/1242114377.db2.gz BTABDZPTGHYBJR-ROUUACIJSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049912749 1242672707 /nfs/dbraw/zinc/67/27/07/1242672707.db2.gz OILCLIBAFQIBKG-OALUTQOASA-N 2 1 325.456 2.060 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097859846 1244699165 /nfs/dbraw/zinc/69/91/65/1244699165.db2.gz ZJNYASVGJDHGNF-AQNXPRMDSA-N 2 1 339.483 2.149 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001052710040 1244804926 /nfs/dbraw/zinc/80/49/26/1244804926.db2.gz VMXHKIXXDGQFMD-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001052710040 1244804935 /nfs/dbraw/zinc/80/49/35/1244804935.db2.gz VMXHKIXXDGQFMD-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001053087554 1245866268 /nfs/dbraw/zinc/86/62/68/1245866268.db2.gz MFKGIFZTYPUTKK-FUHWJXTLSA-N 2 1 328.460 2.069 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107311 1245925723 /nfs/dbraw/zinc/92/57/23/1245925723.db2.gz DWTIKGFZBUFLCL-RBUKOAKNSA-N 2 1 342.487 2.308 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107311 1245925730 /nfs/dbraw/zinc/92/57/30/1245925730.db2.gz DWTIKGFZBUFLCL-RBUKOAKNSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001101591907 1245999339 /nfs/dbraw/zinc/99/93/39/1245999339.db2.gz BXGWNWUVTZEQRO-NRFANRHFSA-N 2 1 345.531 2.350 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)CO2 ZINC001053803277 1246811160 /nfs/dbraw/zinc/81/11/60/1246811160.db2.gz OTTYSLCLXGNCGV-QGZVFWFLSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001054041547 1247200590 /nfs/dbraw/zinc/20/05/90/1247200590.db2.gz NWFCICVWZJVKPH-VQTJNVASSA-N 2 1 339.483 2.057 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001054041547 1247200599 /nfs/dbraw/zinc/20/05/99/1247200599.db2.gz NWFCICVWZJVKPH-VQTJNVASSA-N 2 1 339.483 2.057 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054051165 1247241368 /nfs/dbraw/zinc/24/13/68/1247241368.db2.gz WJGNIRSAOUWXNP-IBGZPJMESA-N 2 1 327.472 2.057 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054051165 1247241373 /nfs/dbraw/zinc/24/13/73/1247241373.db2.gz WJGNIRSAOUWXNP-IBGZPJMESA-N 2 1 327.472 2.057 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054240212 1247835357 /nfs/dbraw/zinc/83/53/57/1247835357.db2.gz PMNKFTFGYJQMAX-QGZVFWFLSA-N 2 1 325.884 2.149 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc3c(c2)C[N@H+](CC=C)C3)CC1 ZINC001054292844 1248032841 /nfs/dbraw/zinc/03/28/41/1248032841.db2.gz WLXHGMKQVWYMKJ-UHFFFAOYSA-N 2 1 337.467 2.150 20 30 EEEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)COCC[NH+](C)C ZINC001099310536 1258073128 /nfs/dbraw/zinc/07/31/28/1258073128.db2.gz PAMGBKLPUAKWTE-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099519186 1258187882 /nfs/dbraw/zinc/18/78/82/1258187882.db2.gz FYKMNFSJKGXJTJ-MLHJIOFPSA-N 2 1 331.504 2.073 20 30 EEEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850397574 1277213060 /nfs/dbraw/zinc/21/30/60/1277213060.db2.gz YAINFSDTZFNSSB-QAPCUYQASA-N 2 1 329.444 2.320 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598498 1279171954 /nfs/dbraw/zinc/17/19/54/1279171954.db2.gz TXCQMNLRTQNZRR-SFHVURJKSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Br)C[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001201322064 1289482464 /nfs/dbraw/zinc/48/24/64/1289482464.db2.gz ZBAQXBCFNRIRJL-UHFFFAOYSA-N 2 1 346.313 2.206 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073131533 1296558837 /nfs/dbraw/zinc/55/88/37/1296558837.db2.gz OYFXMTUDHGDWPM-UHFFFAOYSA-N 2 1 328.460 2.262 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073131533 1296558846 /nfs/dbraw/zinc/55/88/46/1296558846.db2.gz OYFXMTUDHGDWPM-UHFFFAOYSA-N 2 1 328.460 2.262 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001215544281 1296935938 /nfs/dbraw/zinc/93/59/38/1296935938.db2.gz NPTQQRLEBDNORN-CRAIPNDOSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001220600229 1298470005 /nfs/dbraw/zinc/47/00/05/1298470005.db2.gz FLUWJHHKGBGMQU-ZWKOTPCHSA-N 2 1 336.524 2.469 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099372177 1299108343 /nfs/dbraw/zinc/10/83/43/1299108343.db2.gz LEHFNWXZKWAYTD-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099521449 1299181089 /nfs/dbraw/zinc/18/10/89/1299181089.db2.gz RINTYYXTBIGHNK-FJIDUMEYSA-N 2 1 331.504 2.073 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001223495713 1300154878 /nfs/dbraw/zinc/15/48/78/1300154878.db2.gz WQUXNASZEXIXSS-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001223495713 1300154883 /nfs/dbraw/zinc/15/48/83/1300154883.db2.gz WQUXNASZEXIXSS-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047807 1300197745 /nfs/dbraw/zinc/19/77/45/1300197745.db2.gz TWFQPBFLHIBTMJ-ZACQAIPSSA-N 2 1 330.476 2.411 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047807 1300197750 /nfs/dbraw/zinc/19/77/50/1300197750.db2.gz TWFQPBFLHIBTMJ-ZACQAIPSSA-N 2 1 330.476 2.411 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC/C=C/CC)C[C@H]2C)CC1 ZINC001102596541 1301270173 /nfs/dbraw/zinc/27/01/73/1301270173.db2.gz LXRFDLZAUBALOB-YKMDAGRBSA-N 2 1 345.531 2.372 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230618876 1303326499 /nfs/dbraw/zinc/32/64/99/1303326499.db2.gz SFTUVDSCCNAVAO-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230618876 1303326508 /nfs/dbraw/zinc/32/65/08/1303326508.db2.gz SFTUVDSCCNAVAO-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230618876 1303326514 /nfs/dbraw/zinc/32/65/14/1303326514.db2.gz SFTUVDSCCNAVAO-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)C[N@H+](C)C(C)C)Cc1cccnc1 ZINC001230931966 1303551713 /nfs/dbraw/zinc/55/17/13/1303551713.db2.gz JRBWWBHBGCMZAF-UHFFFAOYSA-N 2 1 332.492 2.306 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)C[NH+](C)C(C)C)Cc1cccnc1 ZINC001230931966 1303551717 /nfs/dbraw/zinc/55/17/17/1303551717.db2.gz JRBWWBHBGCMZAF-UHFFFAOYSA-N 2 1 332.492 2.306 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)C[NH+](C)C(C)C)Cc1cccnc1 ZINC001230931966 1303551720 /nfs/dbraw/zinc/55/17/20/1303551720.db2.gz JRBWWBHBGCMZAF-UHFFFAOYSA-N 2 1 332.492 2.306 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C#N)cc1Cl ZINC001277543593 1303870947 /nfs/dbraw/zinc/87/09/47/1303870947.db2.gz SFHNSLBKPHHEND-ROUUACIJSA-N 2 1 332.879 2.422 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCCC)C3)CC1 ZINC001112003756 1304148292 /nfs/dbraw/zinc/14/82/92/1304148292.db2.gz BMASSZLHOIDLJW-FPOVZHCZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCC=C)C3)CC1 ZINC001112004310 1304149125 /nfs/dbraw/zinc/14/91/25/1304149125.db2.gz VONMIYCJWHXMQY-FPOVZHCZSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768551 1305753089 /nfs/dbraw/zinc/75/30/89/1305753089.db2.gz BTRJUPGLAJMGBG-MSOLQXFVSA-N 2 1 331.504 2.435 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150023958 1316130686 /nfs/dbraw/zinc/13/06/86/1316130686.db2.gz ZZKZGDKUTOVFAL-RBUKOAKNSA-N 2 1 349.519 2.034 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C#N)cc1 ZINC001156525494 1318054059 /nfs/dbraw/zinc/05/40/59/1318054059.db2.gz RCPZTWDESMWBPA-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)cc1 ZINC001156525494 1318054069 /nfs/dbraw/zinc/05/40/69/1318054069.db2.gz RCPZTWDESMWBPA-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1 ZINC001156525494 1318054079 /nfs/dbraw/zinc/05/40/79/1318054079.db2.gz RCPZTWDESMWBPA-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP C#CCOCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529952 1318765874 /nfs/dbraw/zinc/76/58/74/1318765874.db2.gz ZFMPUBLZSMVECM-UYAOXDASSA-N 2 1 330.472 2.296 20 30 EEEDMP C#CCOCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529952 1318765887 /nfs/dbraw/zinc/76/58/87/1318765887.db2.gz ZFMPUBLZSMVECM-UYAOXDASSA-N 2 1 330.472 2.296 20 30 EEEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001157973772 1318955896 /nfs/dbraw/zinc/95/58/96/1318955896.db2.gz OAVRYUYXFXHCAO-DLBZAZTESA-N 2 1 330.476 2.343 20 30 EEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001157973772 1318955899 /nfs/dbraw/zinc/95/58/99/1318955899.db2.gz OAVRYUYXFXHCAO-DLBZAZTESA-N 2 1 330.476 2.343 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001160209546 1320100407 /nfs/dbraw/zinc/10/04/07/1320100407.db2.gz PXBRLDLJYQTDSR-MOPGFXCFSA-N 2 1 345.462 2.470 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001160209546 1320100411 /nfs/dbraw/zinc/10/04/11/1320100411.db2.gz PXBRLDLJYQTDSR-MOPGFXCFSA-N 2 1 345.462 2.470 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001161041835 1320364908 /nfs/dbraw/zinc/36/49/08/1320364908.db2.gz MSLYLSGTFOOTJC-GOSISDBHSA-N 2 1 347.890 2.272 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)(COC)CC1 ZINC001162320137 1320820198 /nfs/dbraw/zinc/82/01/98/1320820198.db2.gz HWRRYDTVBYPOII-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2C)(COC)CC1 ZINC001162533900 1320888817 /nfs/dbraw/zinc/88/88/17/1320888817.db2.gz XRNCQNPIDQOOTR-UHFFFAOYSA-N 2 1 348.491 2.003 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205448541 1323139057 /nfs/dbraw/zinc/13/90/57/1323139057.db2.gz IJJRZVGMPZUNJP-ZWKOTPCHSA-N 2 1 333.451 2.238 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001208330818 1324429870 /nfs/dbraw/zinc/42/98/70/1324429870.db2.gz GLHIZSFDYXYZDN-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP N#Cc1ccc(N2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC001209450465 1324935059 /nfs/dbraw/zinc/93/50/59/1324935059.db2.gz KILZZUHPIHNAGW-UHFFFAOYSA-N 2 1 327.476 2.341 20 30 EEEDMP N#Cc1ccc(N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC001209450465 1324935063 /nfs/dbraw/zinc/93/50/63/1324935063.db2.gz KILZZUHPIHNAGW-UHFFFAOYSA-N 2 1 327.476 2.341 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001210790234 1325434399 /nfs/dbraw/zinc/43/43/99/1325434399.db2.gz WMQLNZBYROWJGS-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)Cc2cccc(C#N)c2)C1 ZINC001492383662 1331203059 /nfs/dbraw/zinc/20/30/59/1331203059.db2.gz HFGRSIAVLUBIRA-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001492383662 1331203060 /nfs/dbraw/zinc/20/30/60/1331203060.db2.gz HFGRSIAVLUBIRA-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001492383662 1331203062 /nfs/dbraw/zinc/20/30/62/1331203062.db2.gz HFGRSIAVLUBIRA-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP N#CCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000848533182 1338716076 /nfs/dbraw/zinc/71/60/76/1338716076.db2.gz FFFVEWBEHOFAGV-LJQANCHMSA-N 2 1 329.444 2.322 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001201094056 1368779264 /nfs/dbraw/zinc/77/92/64/1368779264.db2.gz MJRTWSYHZSPBBA-MJGOQNOKSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001201094056 1368779267 /nfs/dbraw/zinc/77/92/67/1368779267.db2.gz MJRTWSYHZSPBBA-MJGOQNOKSA-N 2 1 333.520 2.347 20 30 EEEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000111386430 1369345308 /nfs/dbraw/zinc/34/53/08/1369345308.db2.gz AVWQFVHGEAKTLB-SJLPKXTDSA-N 2 1 331.460 2.304 20 30 EEEDMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)CCC1 ZINC001389368421 1388077329 /nfs/dbraw/zinc/07/73/29/1388077329.db2.gz GOLBDDLOAWTVFX-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)CCC1 ZINC001389368421 1388077338 /nfs/dbraw/zinc/07/73/38/1388077338.db2.gz GOLBDDLOAWTVFX-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001121340748 1371869502 /nfs/dbraw/zinc/86/95/02/1371869502.db2.gz HTFAXMGGGFHVMN-UHFFFAOYSA-N 2 1 346.475 2.333 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001161213135 1372881324 /nfs/dbraw/zinc/88/13/24/1372881324.db2.gz GZPXQOPBDMZWGD-HXUWFJFHSA-N 2 1 349.494 2.361 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001161213135 1372881329 /nfs/dbraw/zinc/88/13/29/1372881329.db2.gz GZPXQOPBDMZWGD-HXUWFJFHSA-N 2 1 349.494 2.361 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001161213135 1372881336 /nfs/dbraw/zinc/88/13/36/1372881336.db2.gz GZPXQOPBDMZWGD-HXUWFJFHSA-N 2 1 349.494 2.361 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001357572676 1373216508 /nfs/dbraw/zinc/21/65/08/1373216508.db2.gz JRXILPVHCPXHMV-OALUTQOASA-N 2 1 345.487 2.077 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001367058849 1374090626 /nfs/dbraw/zinc/09/06/26/1374090626.db2.gz AUCMYGNKGVREGW-RTBURBONSA-N 2 1 342.487 2.177 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001370549939 1374985926 /nfs/dbraw/zinc/98/59/26/1374985926.db2.gz UGOVLTBEFMBTIJ-IYARVYRRSA-N 2 1 328.460 2.027 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001390626788 1388706120 /nfs/dbraw/zinc/70/61/20/1388706120.db2.gz OZADAOIIKLJXCK-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001382358822 1382085997 /nfs/dbraw/zinc/08/59/97/1382085997.db2.gz URIJCOMIVUPHLG-QFBILLFUSA-N 2 1 342.487 2.275 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)CCC[NH+]1CCCC1 ZINC001392733918 1390180794 /nfs/dbraw/zinc/18/07/94/1390180794.db2.gz ZRUDNRZPFWLBLW-KRWDZBQOSA-N 2 1 342.487 2.371 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752836912 1406466287 /nfs/dbraw/zinc/46/62/87/1406466287.db2.gz PYVGBZMPXILRLS-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752836912 1406466290 /nfs/dbraw/zinc/46/62/90/1406466290.db2.gz PYVGBZMPXILRLS-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752836912 1406466294 /nfs/dbraw/zinc/46/62/94/1406466294.db2.gz PYVGBZMPXILRLS-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC/C=C/CC)C1 ZINC001753332571 1406730742 /nfs/dbraw/zinc/73/07/42/1406730742.db2.gz QHNKUAYRXNCQJG-WLMAVBAVSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001753332571 1406730748 /nfs/dbraw/zinc/73/07/48/1406730748.db2.gz QHNKUAYRXNCQJG-WLMAVBAVSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC/C=C/CC)C1 ZINC001753332571 1406730752 /nfs/dbraw/zinc/73/07/52/1406730752.db2.gz QHNKUAYRXNCQJG-WLMAVBAVSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC/C=C/CC)C1 ZINC001753332571 1406730756 /nfs/dbraw/zinc/73/07/56/1406730756.db2.gz QHNKUAYRXNCQJG-WLMAVBAVSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]21 ZINC001753874982 1406776154 /nfs/dbraw/zinc/77/61/54/1406776154.db2.gz CXOAYORWHKXADS-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@@H]21 ZINC001753874982 1406776161 /nfs/dbraw/zinc/77/61/61/1406776161.db2.gz CXOAYORWHKXADS-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@@H]21 ZINC001753874982 1406776168 /nfs/dbraw/zinc/77/61/68/1406776168.db2.gz CXOAYORWHKXADS-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001567218152 1403502059 /nfs/dbraw/zinc/50/20/59/1403502059.db2.gz FBSDJFDAWPCLFL-KSSFIOAISA-N 2 1 349.425 2.047 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001567218152 1403502062 /nfs/dbraw/zinc/50/20/62/1403502062.db2.gz FBSDJFDAWPCLFL-KSSFIOAISA-N 2 1 349.425 2.047 20 30 EEEDMP C=CC1(CC(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)C[NH2+]C1 ZINC001574880541 1403527238 /nfs/dbraw/zinc/52/72/38/1403527238.db2.gz VZEYWZFGUUXLOT-QGZVFWFLSA-N 2 1 339.439 2.392 20 30 EEEDMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001755552361 1407626039 /nfs/dbraw/zinc/62/60/39/1407626039.db2.gz ZNZULXSEAZUFJT-SJLPKXTDSA-N 2 1 332.492 2.451 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1(C)C ZINC001755761574 1407820944 /nfs/dbraw/zinc/82/09/44/1407820944.db2.gz KKMGAWFAADXHSS-LJQANCHMSA-N 2 1 341.499 2.011 20 30 EEEDMP CC(C)[N@H+](C)Cc1nn(-c2ccc3c(C#N)c[nH]c3n2)c2c1CC[NH2+]C2 ZINC001164681292 719625071 /nfs/dbraw/zinc/62/50/71/719625071.db2.gz GBNRRDXAXURMKK-UHFFFAOYSA-N 2 1 349.442 2.106 20 30 EEEDMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3c(C#N)c[nH]c3n2)c2c1CC[NH2+]C2 ZINC001164681292 719625072 /nfs/dbraw/zinc/62/50/72/719625072.db2.gz GBNRRDXAXURMKK-UHFFFAOYSA-N 2 1 349.442 2.106 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966799 782661881 /nfs/dbraw/zinc/66/18/81/782661881.db2.gz WBDWDINQJSYQLL-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999273 782744654 /nfs/dbraw/zinc/74/46/54/782744654.db2.gz DIIXODBJFXKGPR-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999273 782744665 /nfs/dbraw/zinc/74/46/65/782744665.db2.gz DIIXODBJFXKGPR-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999273 782744667 /nfs/dbraw/zinc/74/46/67/782744667.db2.gz DIIXODBJFXKGPR-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999273 782744674 /nfs/dbraw/zinc/74/46/74/782744674.db2.gz DIIXODBJFXKGPR-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088052992 782825132 /nfs/dbraw/zinc/82/51/32/782825132.db2.gz PQSWNKSIHHPYCI-QYZOEREBSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088129175 782950178 /nfs/dbraw/zinc/95/01/78/782950178.db2.gz AAZQYTADJHAJRK-SJORKVTESA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088129175 782950182 /nfs/dbraw/zinc/95/01/82/782950182.db2.gz AAZQYTADJHAJRK-SJORKVTESA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980179953 774011682 /nfs/dbraw/zinc/01/16/82/774011682.db2.gz UFMABIGHKCYHCL-BBWFWOEESA-N 2 1 339.911 2.297 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC000980477111 774700706 /nfs/dbraw/zinc/70/07/06/774700706.db2.gz AJKKRLNRAVCJKY-LJQANCHMSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000982118417 779130791 /nfs/dbraw/zinc/13/07/91/779130791.db2.gz RBDFKXTWDMFXBP-UHFFFAOYSA-N 2 1 328.460 2.262 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000982118417 779130792 /nfs/dbraw/zinc/13/07/92/779130792.db2.gz RBDFKXTWDMFXBP-UHFFFAOYSA-N 2 1 328.460 2.262 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711852 779478117 /nfs/dbraw/zinc/47/81/17/779478117.db2.gz WTGZSVVATJRJMB-VQTJNVASSA-N 2 1 341.499 2.326 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333263 779752284 /nfs/dbraw/zinc/75/22/84/779752284.db2.gz YCFCGPNTZICDIO-YSIASYRMSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333263 779752290 /nfs/dbraw/zinc/75/22/90/779752290.db2.gz YCFCGPNTZICDIO-YSIASYRMSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333263 779752297 /nfs/dbraw/zinc/75/22/97/779752297.db2.gz YCFCGPNTZICDIO-YSIASYRMSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394296 781783156 /nfs/dbraw/zinc/78/31/56/781783156.db2.gz SRKNKHKKXTXRGF-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808290 783538967 /nfs/dbraw/zinc/53/89/67/783538967.db2.gz MQDVGPOAWUDVHN-QRVBRYPASA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184405 784020742 /nfs/dbraw/zinc/02/07/42/784020742.db2.gz JPXFZIJMMSONFK-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184405 784020748 /nfs/dbraw/zinc/02/07/48/784020748.db2.gz JPXFZIJMMSONFK-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035184405 784020754 /nfs/dbraw/zinc/02/07/54/784020754.db2.gz JPXFZIJMMSONFK-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccccc1C[NH+](C)C)CC2 ZINC001035260178 784215300 /nfs/dbraw/zinc/21/53/00/784215300.db2.gz RFKWDYSINPMCQQ-UHFFFAOYSA-N 2 1 339.483 2.310 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135857008 784637712 /nfs/dbraw/zinc/63/77/12/784637712.db2.gz AZSXDIXPXHLTJD-GJZGRUSLSA-N 2 1 348.466 2.412 20 30 EEEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819128605 785434548 /nfs/dbraw/zinc/43/45/48/785434548.db2.gz OSABAGDBQCKDRK-LJQANCHMSA-N 2 1 331.460 2.071 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001036119940 785816978 /nfs/dbraw/zinc/81/69/78/785816978.db2.gz ZEHVSLXSTAQHKZ-JKSUJKDBSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001036195462 785967898 /nfs/dbraw/zinc/96/78/98/785967898.db2.gz RPMBQBPZRLSHSS-WBVHZDCISA-N 2 1 346.475 2.287 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000996685309 787132712 /nfs/dbraw/zinc/13/27/12/787132712.db2.gz ORMAYRVLFNPTSR-PXNSSMCTSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000996685309 787132717 /nfs/dbraw/zinc/13/27/17/787132717.db2.gz ORMAYRVLFNPTSR-PXNSSMCTSA-N 2 1 339.483 2.426 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424475 787198231 /nfs/dbraw/zinc/19/82/31/787198231.db2.gz PWOMSFQJGYXKHN-ZHALLVOQSA-N 2 1 337.483 2.050 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000996711704 787235255 /nfs/dbraw/zinc/23/52/55/787235255.db2.gz KOROLKSJMWHHKV-CVEARBPZSA-N 2 1 325.884 2.336 20 30 EEEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941773 789558579 /nfs/dbraw/zinc/55/85/79/789558579.db2.gz NFGOFVSMWPQAAW-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107941773 789558585 /nfs/dbraw/zinc/55/85/85/789558585.db2.gz NFGOFVSMWPQAAW-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107941773 789558589 /nfs/dbraw/zinc/55/85/89/789558589.db2.gz NFGOFVSMWPQAAW-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089909105 789834346 /nfs/dbraw/zinc/83/43/46/789834346.db2.gz HZDKMCPNQTYOHH-NMLBUPMWSA-N 2 1 343.515 2.055 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146590853 791360136 /nfs/dbraw/zinc/36/01/36/791360136.db2.gz CEMPJLRIXGALOY-HZPDHXFCSA-N 2 1 330.476 2.271 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146595002 791366429 /nfs/dbraw/zinc/36/64/29/791366429.db2.gz WDBKYERTUJXSOI-UONOGXRCSA-N 2 1 336.505 2.333 20 30 EEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001148611525 792559006 /nfs/dbraw/zinc/55/90/06/792559006.db2.gz BYSDDPTWPFMYTJ-SFHVURJKSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611525 792559011 /nfs/dbraw/zinc/55/90/11/792559011.db2.gz BYSDDPTWPFMYTJ-SFHVURJKSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611525 792559026 /nfs/dbraw/zinc/55/90/26/792559026.db2.gz BYSDDPTWPFMYTJ-SFHVURJKSA-N 2 1 327.472 2.400 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992156454 792953280 /nfs/dbraw/zinc/95/32/80/792953280.db2.gz WGCWGPJPZUTVSB-WBVHZDCISA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992156454 792953285 /nfs/dbraw/zinc/95/32/85/792953285.db2.gz WGCWGPJPZUTVSB-WBVHZDCISA-N 2 1 325.884 2.194 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942515 793035393 /nfs/dbraw/zinc/03/53/93/793035393.db2.gz UHNSMLSFYYGGFP-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186616 793122832 /nfs/dbraw/zinc/12/28/32/793122832.db2.gz GOWYRWMVPDAKLZ-NSISKUIASA-N 2 1 349.494 2.335 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186616 793122835 /nfs/dbraw/zinc/12/28/35/793122835.db2.gz GOWYRWMVPDAKLZ-NSISKUIASA-N 2 1 349.494 2.335 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186616 793122839 /nfs/dbraw/zinc/12/28/39/793122839.db2.gz GOWYRWMVPDAKLZ-NSISKUIASA-N 2 1 349.494 2.335 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992189182 793142882 /nfs/dbraw/zinc/14/28/82/793142882.db2.gz MKVDULQPCWHZKI-FFZOFVMBSA-N 2 1 349.494 2.335 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992189182 793142889 /nfs/dbraw/zinc/14/28/89/793142889.db2.gz MKVDULQPCWHZKI-FFZOFVMBSA-N 2 1 349.494 2.335 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992189182 793142895 /nfs/dbraw/zinc/14/28/95/793142895.db2.gz MKVDULQPCWHZKI-FFZOFVMBSA-N 2 1 349.494 2.335 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000998899084 793537019 /nfs/dbraw/zinc/53/70/19/793537019.db2.gz QQAVCXKFIFCMCT-FHERZECASA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092675496 794223213 /nfs/dbraw/zinc/22/32/13/794223213.db2.gz IUHBLPRRDHQYSM-DJIMGWMZSA-N 2 1 341.927 2.401 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092675496 794223221 /nfs/dbraw/zinc/22/32/21/794223221.db2.gz IUHBLPRRDHQYSM-DJIMGWMZSA-N 2 1 341.927 2.401 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092675496 794223223 /nfs/dbraw/zinc/22/32/23/794223223.db2.gz IUHBLPRRDHQYSM-DJIMGWMZSA-N 2 1 341.927 2.401 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907654 794426584 /nfs/dbraw/zinc/42/65/84/794426584.db2.gz WEMZCXYDZULZAW-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907654 794426591 /nfs/dbraw/zinc/42/65/91/794426591.db2.gz WEMZCXYDZULZAW-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907654 794426599 /nfs/dbraw/zinc/42/65/99/794426599.db2.gz WEMZCXYDZULZAW-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036754943 794785271 /nfs/dbraw/zinc/78/52/71/794785271.db2.gz OGXCKMUQETZJQP-AEFFLSMTSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036754943 794785272 /nfs/dbraw/zinc/78/52/72/794785272.db2.gz OGXCKMUQETZJQP-AEFFLSMTSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036754943 794785275 /nfs/dbraw/zinc/78/52/75/794785275.db2.gz OGXCKMUQETZJQP-AEFFLSMTSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036755154 794785953 /nfs/dbraw/zinc/78/59/53/794785953.db2.gz ROYBFQRVAPYMEW-VQIMIIECSA-N 2 1 336.439 2.202 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cnc4c3CCCC4)CC[C@H]21 ZINC001036774560 794922327 /nfs/dbraw/zinc/92/23/27/794922327.db2.gz HMPIXGFUBOJGBN-FUHWJXTLSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@H]21 ZINC001036774560 794922329 /nfs/dbraw/zinc/92/23/29/794922329.db2.gz HMPIXGFUBOJGBN-FUHWJXTLSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@H]21 ZINC001036774560 794922332 /nfs/dbraw/zinc/92/23/32/794922332.db2.gz HMPIXGFUBOJGBN-FUHWJXTLSA-N 2 1 342.487 2.261 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036841660 795423088 /nfs/dbraw/zinc/42/30/88/795423088.db2.gz BIHQQERADVXJNG-UXHICEINSA-N 2 1 339.483 2.308 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001108023350 795626249 /nfs/dbraw/zinc/62/62/49/795626249.db2.gz ZXZLMESOKVNAHA-IBGZPJMESA-N 2 1 349.519 2.036 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106591212 795902826 /nfs/dbraw/zinc/90/28/26/795902826.db2.gz SGFHOHIHHXPZIY-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094561794 796399625 /nfs/dbraw/zinc/39/96/25/796399625.db2.gz GLDNYOOGVFYSPU-IEBWSBKVSA-N 2 1 328.460 2.308 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094561794 796399630 /nfs/dbraw/zinc/39/96/30/796399630.db2.gz GLDNYOOGVFYSPU-IEBWSBKVSA-N 2 1 328.460 2.308 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC001080998358 796548409 /nfs/dbraw/zinc/54/84/09/796548409.db2.gz YYMMFDVXLHHGQI-YLJYHZDGSA-N 2 1 343.515 2.269 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081095795 796628696 /nfs/dbraw/zinc/62/86/96/796628696.db2.gz USJGBBSNJVQKII-IPMKNSEASA-N 2 1 327.472 2.241 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1ccccc1 ZINC001081118782 796659225 /nfs/dbraw/zinc/65/92/25/796659225.db2.gz WHOGVYNJVZJWNF-RSPOEFSDSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081213559 796673700 /nfs/dbraw/zinc/67/37/00/796673700.db2.gz DOMLJMILCTXRFI-NZSAHSFTSA-N 2 1 327.472 2.098 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993619637 796845325 /nfs/dbraw/zinc/84/53/25/796845325.db2.gz HIJXKAOSUMYRCK-QFBILLFUSA-N 2 1 327.472 2.007 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001001525171 796978040 /nfs/dbraw/zinc/97/80/40/796978040.db2.gz DYZVIVFQQMWJQR-UHFFFAOYSA-N 2 1 339.911 2.443 20 30 EEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262277 798059419 /nfs/dbraw/zinc/05/94/19/798059419.db2.gz FGRLTOLFAAQOEP-CRAIPNDOSA-N 2 1 325.472 2.097 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCCCC3)C[C@H]21 ZINC001084417708 798184969 /nfs/dbraw/zinc/18/49/69/798184969.db2.gz APUKPANUQTYXOM-HSALFYBXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCCCC3)C[C@H]21 ZINC001084417708 798184972 /nfs/dbraw/zinc/18/49/72/798184972.db2.gz APUKPANUQTYXOM-HSALFYBXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCCCC3)C[C@H]21 ZINC001084417708 798184974 /nfs/dbraw/zinc/18/49/74/798184974.db2.gz APUKPANUQTYXOM-HSALFYBXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001084417708 798184978 /nfs/dbraw/zinc/18/49/78/798184978.db2.gz APUKPANUQTYXOM-HSALFYBXSA-N 2 1 343.515 2.197 20 30 EEEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001016340515 798727669 /nfs/dbraw/zinc/72/76/69/798727669.db2.gz XOKSLLXXKGOLFN-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001016340515 798727676 /nfs/dbraw/zinc/72/76/76/798727676.db2.gz XOKSLLXXKGOLFN-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001016340515 798727681 /nfs/dbraw/zinc/72/76/81/798727681.db2.gz XOKSLLXXKGOLFN-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001016340515 798727686 /nfs/dbraw/zinc/72/76/86/798727686.db2.gz XOKSLLXXKGOLFN-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001085639724 800950886 /nfs/dbraw/zinc/95/08/86/800950886.db2.gz UVWWWYCCFRMOOV-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085639724 800950888 /nfs/dbraw/zinc/95/08/88/800950888.db2.gz UVWWWYCCFRMOOV-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001085639724 800950890 /nfs/dbraw/zinc/95/08/90/800950890.db2.gz UVWWWYCCFRMOOV-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182589917 801259463 /nfs/dbraw/zinc/25/94/63/801259463.db2.gz KINHROHJCRHGKX-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004615941 802491438 /nfs/dbraw/zinc/49/14/38/802491438.db2.gz JTECRBNNDYHDFT-SFHVURJKSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004615941 802491440 /nfs/dbraw/zinc/49/14/40/802491440.db2.gz JTECRBNNDYHDFT-SFHVURJKSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CCn2ccnc2C(C)C)C1 ZINC001108255698 802548393 /nfs/dbraw/zinc/54/83/93/802548393.db2.gz KJSVABPVBPXLGA-LJQANCHMSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCCN1CCO[C@](C)(CNC(=O)CCn2ccnc2C(C)C)C1 ZINC001108255698 802548397 /nfs/dbraw/zinc/54/83/97/802548397.db2.gz KJSVABPVBPXLGA-LJQANCHMSA-N 2 1 348.491 2.180 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033159793 802672886 /nfs/dbraw/zinc/67/28/86/802672886.db2.gz AHEJALDHBGIRDY-OALUTQOASA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033159793 802672888 /nfs/dbraw/zinc/67/28/88/802672888.db2.gz AHEJALDHBGIRDY-OALUTQOASA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033159793 802672890 /nfs/dbraw/zinc/67/28/90/802672890.db2.gz AHEJALDHBGIRDY-OALUTQOASA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033159793 802672893 /nfs/dbraw/zinc/67/28/93/802672893.db2.gz AHEJALDHBGIRDY-OALUTQOASA-N 2 1 329.488 2.117 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086402093 802895713 /nfs/dbraw/zinc/89/57/13/802895713.db2.gz HQPFENOXYFWHCV-FHWLQOOXSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001113265808 808602413 /nfs/dbraw/zinc/60/24/13/808602413.db2.gz BKXOVVBIPIFNCH-RDJZCZTQSA-N 2 1 330.476 2.253 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001129417384 810832397 /nfs/dbraw/zinc/83/23/97/810832397.db2.gz MSUHGNPPHXRZQN-CQSZACIVSA-N 2 1 334.489 2.088 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001129771377 810994255 /nfs/dbraw/zinc/99/42/55/810994255.db2.gz WUIFFNFHCUJXLS-IBGZPJMESA-N 2 1 327.472 2.113 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001129771377 810994261 /nfs/dbraw/zinc/99/42/61/810994261.db2.gz WUIFFNFHCUJXLS-IBGZPJMESA-N 2 1 327.472 2.113 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001129770403 810994904 /nfs/dbraw/zinc/99/49/04/810994904.db2.gz GDUTVPRVDGEWAF-FQEVSTJZSA-N 2 1 341.499 2.189 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001129770403 810994914 /nfs/dbraw/zinc/99/49/14/810994914.db2.gz GDUTVPRVDGEWAF-FQEVSTJZSA-N 2 1 341.499 2.189 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc2ccccc2s1 ZINC001129770395 810995076 /nfs/dbraw/zinc/99/50/76/810995076.db2.gz FUGPHNAUOOZLRW-KRWDZBQOSA-N 2 1 341.480 2.205 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc2ccccc2s1 ZINC001129770395 810995085 /nfs/dbraw/zinc/99/50/85/810995085.db2.gz FUGPHNAUOOZLRW-KRWDZBQOSA-N 2 1 341.480 2.205 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086659097 812428543 /nfs/dbraw/zinc/42/85/43/812428543.db2.gz KGTRKEPQPNGLTI-IPMKNSEASA-N 2 1 340.471 2.027 20 30 EEEDMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001449036716 1094050875 /nfs/dbraw/zinc/05/08/75/1094050875.db2.gz MJOMOOOQFGEKLS-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001444238229 1098800268 /nfs/dbraw/zinc/80/02/68/1098800268.db2.gz ZKAZCJVJKIZUQL-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP CC[C@H](C(=O)NCC1=CC[N@@H+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001508209724 1115445354 /nfs/dbraw/zinc/44/53/54/1115445354.db2.gz ZROKHNAAMUGDRS-LJQANCHMSA-N 2 1 340.471 2.147 20 30 EEEDMP C#C[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000491416266 246024531 /nfs/dbraw/zinc/02/45/31/246024531.db2.gz KDMFWYOMFRQJCG-QGZVFWFLSA-N 2 1 327.472 2.029 20 30 EEEDMP C#C[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000491416266 246024534 /nfs/dbraw/zinc/02/45/34/246024534.db2.gz KDMFWYOMFRQJCG-QGZVFWFLSA-N 2 1 327.472 2.029 20 30 EEEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000491717299 533162946 /nfs/dbraw/zinc/16/29/46/533162946.db2.gz WAMXTVUOMVPMPS-QGZVFWFLSA-N 2 1 327.472 2.148 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCn2cc[nH+]c2C)CC1 ZINC000120971542 463061682 /nfs/dbraw/zinc/06/16/82/463061682.db2.gz MAGPJIQCYUTRSV-UHFFFAOYSA-N 2 1 333.480 2.264 20 30 EEEDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279475026 464110480 /nfs/dbraw/zinc/11/04/80/464110480.db2.gz WCTVYJWFXHCUAC-INIZCTEOSA-N 2 1 338.459 2.242 20 30 EEEDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279475026 464110484 /nfs/dbraw/zinc/11/04/84/464110484.db2.gz WCTVYJWFXHCUAC-INIZCTEOSA-N 2 1 338.459 2.242 20 30 EEEDMP CN1CC[NH+](Cc2ccc(CNC(=[NH2+])Nc3ccccc3)cc2)CC1 ZINC000264142266 464288451 /nfs/dbraw/zinc/28/84/51/464288451.db2.gz WWTNPJJTDYFLIF-UHFFFAOYSA-N 2 1 337.471 2.361 20 30 EEEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292895581 464375824 /nfs/dbraw/zinc/37/58/24/464375824.db2.gz VOXGJJMCQRYDNM-VQTJNVASSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000292895581 464375828 /nfs/dbraw/zinc/37/58/28/464375828.db2.gz VOXGJJMCQRYDNM-VQTJNVASSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000292895581 464375834 /nfs/dbraw/zinc/37/58/34/464375834.db2.gz VOXGJJMCQRYDNM-VQTJNVASSA-N 2 1 339.483 2.112 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000298658414 465463366 /nfs/dbraw/zinc/46/33/66/465463366.db2.gz HLAJFIPZFXGMHL-IEBWSBKVSA-N 2 1 348.535 2.469 20 30 EEEDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCc2nccn2C1 ZINC000329912862 465472330 /nfs/dbraw/zinc/47/23/30/465472330.db2.gz WZCRUGSJTGMGMN-IAGOWNOFSA-N 2 1 347.507 2.460 20 30 EEEDMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329912862 465472334 /nfs/dbraw/zinc/47/23/34/465472334.db2.gz WZCRUGSJTGMGMN-IAGOWNOFSA-N 2 1 347.507 2.460 20 30 EEEDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329912862 465472341 /nfs/dbraw/zinc/47/23/41/465472341.db2.gz WZCRUGSJTGMGMN-IAGOWNOFSA-N 2 1 347.507 2.460 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C)C(C)C ZINC000344278296 465601363 /nfs/dbraw/zinc/60/13/63/465601363.db2.gz FVAFZHUYASELPD-FGTMMUONSA-N 2 1 336.524 2.467 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000371596258 465893623 /nfs/dbraw/zinc/89/36/23/465893623.db2.gz FUCBMHHOSFJCJO-KRWDZBQOSA-N 2 1 334.508 2.343 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(C#N)cs2)CC1 ZINC000531217243 468037087 /nfs/dbraw/zinc/03/70/87/468037087.db2.gz XJGKLNAKRRWMHW-UHFFFAOYSA-N 2 1 327.413 2.019 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660598356 471409677 /nfs/dbraw/zinc/40/96/77/471409677.db2.gz XJKVOZAVKOCOCR-GOSISDBHSA-N 2 1 348.535 2.448 20 30 EEEDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000174267590 529143598 /nfs/dbraw/zinc/14/35/98/529143598.db2.gz XJQZQNKUZWMFCH-UHFFFAOYSA-N 2 1 330.476 2.074 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000730095757 576713768 /nfs/dbraw/zinc/71/37/68/576713768.db2.gz DZPIYKQTZQSWRS-OALUTQOASA-N 2 1 327.472 2.283 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000730095757 576713769 /nfs/dbraw/zinc/71/37/69/576713769.db2.gz DZPIYKQTZQSWRS-OALUTQOASA-N 2 1 327.472 2.283 20 30 EEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411598 577720801 /nfs/dbraw/zinc/72/08/01/577720801.db2.gz AQRKMFGDLPNTEX-RBUKOAKNSA-N 2 1 331.460 2.024 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156131 674643923 /nfs/dbraw/zinc/64/39/23/674643923.db2.gz KQWAKBRIWLLNPM-SFHVURJKSA-N 2 1 327.472 2.356 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969832119 675236661 /nfs/dbraw/zinc/23/66/61/675236661.db2.gz DWKHIJLUENGQAQ-VQIMIIECSA-N 2 1 349.519 2.033 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001021087814 675714742 /nfs/dbraw/zinc/71/47/42/675714742.db2.gz IAJBGCOKTHBHLV-ZNZJMJLKSA-N 2 1 340.471 2.168 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700007 676358894 /nfs/dbraw/zinc/35/88/94/676358894.db2.gz MDIYYOBLIBYRKG-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021740983 676399744 /nfs/dbraw/zinc/39/97/44/676399744.db2.gz XVFPGAZSTOOCHI-PMACEKPBSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000971703395 676747680 /nfs/dbraw/zinc/74/76/80/676747680.db2.gz GXOJOXQPDPSXRX-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000971703395 676747684 /nfs/dbraw/zinc/74/76/84/676747684.db2.gz GXOJOXQPDPSXRX-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000971703395 676747685 /nfs/dbraw/zinc/74/76/85/676747685.db2.gz GXOJOXQPDPSXRX-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC000971703395 676747689 /nfs/dbraw/zinc/74/76/89/676747689.db2.gz GXOJOXQPDPSXRX-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC000971703395 676747691 /nfs/dbraw/zinc/74/76/91/676747691.db2.gz GXOJOXQPDPSXRX-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000972401502 678686281 /nfs/dbraw/zinc/68/62/81/678686281.db2.gz CBXWLRJUKVYCKT-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000972401502 678686284 /nfs/dbraw/zinc/68/62/84/678686284.db2.gz CBXWLRJUKVYCKT-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000972401502 678686286 /nfs/dbraw/zinc/68/62/86/678686286.db2.gz CBXWLRJUKVYCKT-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982635020 681919643 /nfs/dbraw/zinc/91/96/43/681919643.db2.gz VDKNPYYKYWYCPM-LZQZEXGQSA-N 2 1 330.476 2.335 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3cnc[nH]3)C[C@@]2(C)C1 ZINC000982635020 681919647 /nfs/dbraw/zinc/91/96/47/681919647.db2.gz VDKNPYYKYWYCPM-LZQZEXGQSA-N 2 1 330.476 2.335 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818182 682282533 /nfs/dbraw/zinc/28/25/33/682282533.db2.gz LXYFIPUBPFGRJJ-SXLOBPIMSA-N 2 1 341.499 2.346 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818182 682282536 /nfs/dbraw/zinc/28/25/36/682282536.db2.gz LXYFIPUBPFGRJJ-SXLOBPIMSA-N 2 1 341.499 2.346 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818182 682282541 /nfs/dbraw/zinc/28/25/41/682282541.db2.gz LXYFIPUBPFGRJJ-SXLOBPIMSA-N 2 1 341.499 2.346 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025274796 682377263 /nfs/dbraw/zinc/37/72/63/682377263.db2.gz NZPIPBGPYQKQDT-ROUUACIJSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025274796 682377265 /nfs/dbraw/zinc/37/72/65/682377265.db2.gz NZPIPBGPYQKQDT-ROUUACIJSA-N 2 1 342.487 2.485 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC000992920802 683653189 /nfs/dbraw/zinc/65/31/89/683653189.db2.gz QHPWOWXCISQLMF-HRCADAONSA-N 2 1 336.867 2.161 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000984042777 684013763 /nfs/dbraw/zinc/01/37/63/684013763.db2.gz PKXSBNJUZOPDRJ-FHWLQOOXSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC001026315697 684242327 /nfs/dbraw/zinc/24/23/27/684242327.db2.gz RZMAETRKAUXDOY-GVDBMIGSSA-N 2 1 342.487 2.165 20 30 EEEDMP C=CC[NH2+]C1CCC(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001026560490 684745099 /nfs/dbraw/zinc/74/50/99/684745099.db2.gz RVCIEFBVIFLCEL-UHFFFAOYSA-N 2 1 332.448 2.087 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000985791878 687703781 /nfs/dbraw/zinc/70/37/81/687703781.db2.gz IQBGUDREOUBXNW-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cnc3c2CCCC3)C1 ZINC001027494010 692401336 /nfs/dbraw/zinc/40/13/36/692401336.db2.gz RUWKFRRWJIXQRI-MRXNPFEDSA-N 2 1 330.476 2.261 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001027494010 692401339 /nfs/dbraw/zinc/40/13/39/692401339.db2.gz RUWKFRRWJIXQRI-MRXNPFEDSA-N 2 1 330.476 2.261 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001027494010 692401343 /nfs/dbraw/zinc/40/13/43/692401343.db2.gz RUWKFRRWJIXQRI-MRXNPFEDSA-N 2 1 330.476 2.261 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001027545900 692845944 /nfs/dbraw/zinc/84/59/44/692845944.db2.gz IAZINQPHKYGLSA-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027545900 692845949 /nfs/dbraw/zinc/84/59/49/692845949.db2.gz IAZINQPHKYGLSA-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027545900 692845956 /nfs/dbraw/zinc/84/59/56/692845956.db2.gz IAZINQPHKYGLSA-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089380 1193362416 /nfs/dbraw/zinc/36/24/16/1193362416.db2.gz GYOSSMLIILIIGR-APWZRJJASA-N 2 1 327.472 2.212 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089382 1193362503 /nfs/dbraw/zinc/36/25/03/1193362503.db2.gz GYOSSMLIILIIGR-QFBILLFUSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105517398 1188134448 /nfs/dbraw/zinc/13/44/48/1188134448.db2.gz BNYCNWGURYYHLO-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2cnc[nH]2)CCC1 ZINC001105541494 1188154015 /nfs/dbraw/zinc/15/40/15/1188154015.db2.gz BJKDJTLWYRYXOO-KRWDZBQOSA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001076604286 1189034765 /nfs/dbraw/zinc/03/47/65/1189034765.db2.gz VVVWTLPSIAIBEI-RBUKOAKNSA-N 2 1 327.472 2.471 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272699702 1191781976 /nfs/dbraw/zinc/78/19/76/1191781976.db2.gz NAHONZXPPLSVMD-IBGZPJMESA-N 2 1 335.492 2.136 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033417655 1194540559 /nfs/dbraw/zinc/54/05/59/1194540559.db2.gz WVOIUGCBGPCLMC-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033417655 1194540563 /nfs/dbraw/zinc/54/05/63/1194540563.db2.gz WVOIUGCBGPCLMC-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033417655 1194540565 /nfs/dbraw/zinc/54/05/65/1194540565.db2.gz WVOIUGCBGPCLMC-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001034733427 1196633285 /nfs/dbraw/zinc/63/32/85/1196633285.db2.gz BWYBZASOQPIDPE-WKILWMFISA-N 2 1 346.475 2.477 20 30 EEEDMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CCC(=O)N(CCCC#N)C3)CC2)C1 ZINC001273143977 1197012561 /nfs/dbraw/zinc/01/25/61/1197012561.db2.gz NAEOVDFPRWJHQN-SFHVURJKSA-N 2 1 346.519 2.337 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001132273004 1199520962 /nfs/dbraw/zinc/52/09/62/1199520962.db2.gz CWWJBKSTGYSONT-UONOGXRCSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)s1 ZINC001132273004 1199520963 /nfs/dbraw/zinc/52/09/63/1199520963.db2.gz CWWJBKSTGYSONT-UONOGXRCSA-N 2 1 334.489 2.041 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132331147 1199578641 /nfs/dbraw/zinc/57/86/41/1199578641.db2.gz LVVHGTIABFZBAH-DLBZAZTESA-N 2 1 348.491 2.178 20 30 EEEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132331147 1199578646 /nfs/dbraw/zinc/57/86/46/1199578646.db2.gz LVVHGTIABFZBAH-DLBZAZTESA-N 2 1 348.491 2.178 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018306031 1224590052 /nfs/dbraw/zinc/59/00/52/1224590052.db2.gz NMPHBSGJRVZXRP-KDURUIRLSA-N 2 1 325.456 2.060 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018306031 1224590055 /nfs/dbraw/zinc/59/00/55/1224590055.db2.gz NMPHBSGJRVZXRP-KDURUIRLSA-N 2 1 325.456 2.060 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132887758 1200154597 /nfs/dbraw/zinc/15/45/97/1200154597.db2.gz HUWGTQIVSBZGRT-HIFRSBDPSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001133205143 1200593035 /nfs/dbraw/zinc/59/30/35/1200593035.db2.gz WMXWBAILLFNYDC-CVEARBPZSA-N 2 1 339.443 2.141 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133360857 1200782205 /nfs/dbraw/zinc/78/22/05/1200782205.db2.gz QFXBALFLBXDEPT-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133360857 1200782212 /nfs/dbraw/zinc/78/22/12/1200782212.db2.gz QFXBALFLBXDEPT-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP CC[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000129320036 1201783256 /nfs/dbraw/zinc/78/32/56/1201783256.db2.gz ZTDUKQBEHREQLZ-BXUZGUMPSA-N 2 1 335.521 2.440 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cc(CN(C)C)on2)CC1 ZINC000948565400 1209225466 /nfs/dbraw/zinc/22/54/66/1209225466.db2.gz FERYZCZAXOBTRU-HNNXBMFYSA-N 2 1 334.464 2.239 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948565400 1209225469 /nfs/dbraw/zinc/22/54/69/1209225469.db2.gz FERYZCZAXOBTRU-HNNXBMFYSA-N 2 1 334.464 2.239 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948565400 1209225471 /nfs/dbraw/zinc/22/54/71/1209225471.db2.gz FERYZCZAXOBTRU-HNNXBMFYSA-N 2 1 334.464 2.239 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948766786 1209360673 /nfs/dbraw/zinc/36/06/73/1209360673.db2.gz OBBJDXZOYPGTEA-QFBILLFUSA-N 2 1 337.483 2.145 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCN(CCCC2CCCC2)CC1 ZINC000948825571 1209403964 /nfs/dbraw/zinc/40/39/64/1209403964.db2.gz GQWCCMBZXLTWNP-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001111309479 1210105881 /nfs/dbraw/zinc/10/58/81/1210105881.db2.gz QZJSYHFCSLJLPT-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001111309479 1210105883 /nfs/dbraw/zinc/10/58/83/1210105883.db2.gz QZJSYHFCSLJLPT-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001111309479 1210105886 /nfs/dbraw/zinc/10/58/86/1210105886.db2.gz QZJSYHFCSLJLPT-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001111309479 1210105889 /nfs/dbraw/zinc/10/58/89/1210105889.db2.gz QZJSYHFCSLJLPT-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000950504988 1210251269 /nfs/dbraw/zinc/25/12/69/1210251269.db2.gz JIEXFLBKCSMBIL-IBGZPJMESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000950504988 1210251272 /nfs/dbraw/zinc/25/12/72/1210251272.db2.gz JIEXFLBKCSMBIL-IBGZPJMESA-N 2 1 349.519 2.129 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CCc2ccccc21 ZINC000245407375 1212360590 /nfs/dbraw/zinc/36/05/90/1212360590.db2.gz ASIUBBPNADWELX-DOTOQJQBSA-N 2 1 326.488 2.366 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncc(-c2ccccc2)o1 ZINC000303895129 1213921958 /nfs/dbraw/zinc/92/19/58/1213921958.db2.gz SZFXDRWVUHVBKO-OAHLLOKOSA-N 2 1 327.432 2.230 20 30 EEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001412949503 1216145824 /nfs/dbraw/zinc/14/58/24/1216145824.db2.gz VGFVFQJCWYJLMI-MOPGFXCFSA-N 2 1 331.460 2.024 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253611 1217112113 /nfs/dbraw/zinc/11/21/13/1217112113.db2.gz QYNAHFWOOYXZCT-VQTJNVASSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961434203 1217188607 /nfs/dbraw/zinc/18/86/07/1217188607.db2.gz ZCHAYYNCUPVZOP-LJQANCHMSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000961961878 1217423864 /nfs/dbraw/zinc/42/38/64/1217423864.db2.gz SJXZUNKRIXRLQO-WCVJEAGWSA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000961961878 1217423867 /nfs/dbraw/zinc/42/38/67/1217423867.db2.gz SJXZUNKRIXRLQO-WCVJEAGWSA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000962048019 1217463811 /nfs/dbraw/zinc/46/38/11/1217463811.db2.gz CQKLPGQIZMWSOD-FVQHAEBGSA-N 2 1 333.863 2.161 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000962048019 1217463814 /nfs/dbraw/zinc/46/38/14/1217463814.db2.gz CQKLPGQIZMWSOD-FVQHAEBGSA-N 2 1 333.863 2.161 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001015981918 1225919821 /nfs/dbraw/zinc/91/98/21/1225919821.db2.gz GKASSQNVRZTJCB-OAHLLOKOSA-N 2 1 325.416 2.038 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007346740 1222183806 /nfs/dbraw/zinc/18/38/06/1222183806.db2.gz XRLOMSDMMANBTL-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007346740 1222183808 /nfs/dbraw/zinc/18/38/08/1222183808.db2.gz XRLOMSDMMANBTL-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007346740 1222183811 /nfs/dbraw/zinc/18/38/11/1222183811.db2.gz XRLOMSDMMANBTL-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007346740 1222183812 /nfs/dbraw/zinc/18/38/12/1222183812.db2.gz XRLOMSDMMANBTL-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3csc(C)c3)C2)CC1 ZINC001016336860 1226360479 /nfs/dbraw/zinc/36/04/79/1226360479.db2.gz NTWKOIFZPSISBZ-SFHVURJKSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001018985208 1228607141 /nfs/dbraw/zinc/60/71/41/1228607141.db2.gz LZCSHVXZGWLWOO-IHPCNDPISA-N 2 1 339.483 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001018985208 1228607146 /nfs/dbraw/zinc/60/71/46/1228607146.db2.gz LZCSHVXZGWLWOO-IHPCNDPISA-N 2 1 339.483 2.344 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001018986318 1228607863 /nfs/dbraw/zinc/60/78/63/1228607863.db2.gz YHUPYHJUHXRHLR-ROUUACIJSA-N 2 1 345.874 2.128 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001018986318 1228607867 /nfs/dbraw/zinc/60/78/67/1228607867.db2.gz YHUPYHJUHXRHLR-ROUUACIJSA-N 2 1 345.874 2.128 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228611 1230461583 /nfs/dbraw/zinc/46/15/83/1230461583.db2.gz GLUTZWYYNUEIDS-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039228611 1230461584 /nfs/dbraw/zinc/46/15/84/1230461584.db2.gz GLUTZWYYNUEIDS-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039228611 1230461586 /nfs/dbraw/zinc/46/15/86/1230461586.db2.gz GLUTZWYYNUEIDS-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234080 1230467443 /nfs/dbraw/zinc/46/74/43/1230467443.db2.gz IBZWWYQAOKHVEM-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039448027 1230615990 /nfs/dbraw/zinc/61/59/90/1230615990.db2.gz RQCHUUSXDFWUTM-QRVBRYPASA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039448027 1230615992 /nfs/dbraw/zinc/61/59/92/1230615992.db2.gz RQCHUUSXDFWUTM-QRVBRYPASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC1CC1)C2 ZINC001040244337 1231129272 /nfs/dbraw/zinc/12/92/72/1231129272.db2.gz IXHALWYJQAORTE-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC1CC1)C2 ZINC001040244337 1231129275 /nfs/dbraw/zinc/12/92/75/1231129275.db2.gz IXHALWYJQAORTE-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001040244337 1231129277 /nfs/dbraw/zinc/12/92/77/1231129277.db2.gz IXHALWYJQAORTE-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001040244337 1231129283 /nfs/dbraw/zinc/12/92/83/1231129283.db2.gz IXHALWYJQAORTE-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001040732273 1231351660 /nfs/dbraw/zinc/35/16/60/1231351660.db2.gz ZQDRFIXAMGXFSJ-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001040732273 1231351662 /nfs/dbraw/zinc/35/16/62/1231351662.db2.gz ZQDRFIXAMGXFSJ-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041596747 1231615935 /nfs/dbraw/zinc/61/59/35/1231615935.db2.gz CAQTUFWYDAFDRZ-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041596747 1231615936 /nfs/dbraw/zinc/61/59/36/1231615936.db2.gz CAQTUFWYDAFDRZ-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677992 1231647176 /nfs/dbraw/zinc/64/71/76/1231647176.db2.gz FGDASGGGOCKTIJ-VQTJNVASSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001041677992 1231647177 /nfs/dbraw/zinc/64/71/77/1231647177.db2.gz FGDASGGGOCKTIJ-VQTJNVASSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001041677992 1231647180 /nfs/dbraw/zinc/64/71/80/1231647180.db2.gz FGDASGGGOCKTIJ-VQTJNVASSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001041680815 1231648441 /nfs/dbraw/zinc/64/84/41/1231648441.db2.gz VULHQLNXABRBKS-WOJBJXKFSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041680815 1231648442 /nfs/dbraw/zinc/64/84/42/1231648442.db2.gz VULHQLNXABRBKS-WOJBJXKFSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041680815 1231648443 /nfs/dbraw/zinc/64/84/43/1231648443.db2.gz VULHQLNXABRBKS-WOJBJXKFSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](C/C=C/Cl)C3)C2)CC1 ZINC001041844556 1231728459 /nfs/dbraw/zinc/72/84/59/1231728459.db2.gz KZWFFBCNYZRATF-FOZGUINQSA-N 2 1 349.906 2.009 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042112468 1231897168 /nfs/dbraw/zinc/89/71/68/1231897168.db2.gz RJSCJKADZFXVKP-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042217575 1231961485 /nfs/dbraw/zinc/96/14/85/1231961485.db2.gz YXDYEIFLBBROMQ-HOCLYGCPSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042217575 1231961487 /nfs/dbraw/zinc/96/14/87/1231961487.db2.gz YXDYEIFLBBROMQ-HOCLYGCPSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC001046849893 1235247180 /nfs/dbraw/zinc/24/71/80/1235247180.db2.gz LOBAKNQJEPXWPV-LJQANCHMSA-N 2 1 345.512 2.174 20 30 EEEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968489 1235370450 /nfs/dbraw/zinc/37/04/50/1235370450.db2.gz HYLGGYADRHHEAC-MRXNPFEDSA-N 2 1 343.462 2.368 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001047240570 1235727310 /nfs/dbraw/zinc/72/73/10/1235727310.db2.gz GJRQHIIHXYGXDH-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047261340 1235768727 /nfs/dbraw/zinc/76/87/27/1235768727.db2.gz FCMZTJSECRNNEK-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525563 1237862634 /nfs/dbraw/zinc/86/26/34/1237862634.db2.gz XWFFQNXOIVJVIM-OMZCGLGVSA-N 2 1 343.515 2.243 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)C2 ZINC001048525563 1237862643 /nfs/dbraw/zinc/86/26/43/1237862643.db2.gz XWFFQNXOIVJVIM-OMZCGLGVSA-N 2 1 343.515 2.243 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)C2 ZINC001048525563 1237862656 /nfs/dbraw/zinc/86/26/56/1237862656.db2.gz XWFFQNXOIVJVIM-OMZCGLGVSA-N 2 1 343.515 2.243 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959379 1239577654 /nfs/dbraw/zinc/57/76/54/1239577654.db2.gz HFFUJKFKRULXPC-CEXWTWQISA-N 2 1 331.504 2.217 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC001049114348 1240034821 /nfs/dbraw/zinc/03/48/21/1240034821.db2.gz FPGPZAOIZOJEES-KDURUIRLSA-N 2 1 327.472 2.328 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)CC1 ZINC001000290765 1240136270 /nfs/dbraw/zinc/13/62/70/1240136270.db2.gz WDCHEOWEFSUCDH-RTBURBONSA-N 2 1 343.515 2.387 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049166374 1240167461 /nfs/dbraw/zinc/16/74/61/1240167461.db2.gz ZLBJIZSAOQRVMC-UEXGIBASSA-N 2 1 341.499 2.430 20 30 EEEDMP C=C(Cl)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCCN1C ZINC001049558558 1241412002 /nfs/dbraw/zinc/41/20/02/1241412002.db2.gz PDWMXCNEAOFVMD-BZUAXINKSA-N 2 1 325.884 2.289 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001049838927 1242371444 /nfs/dbraw/zinc/37/14/44/1242371444.db2.gz ZHYLYHWDTSKWOD-SFHLNBCPSA-N 2 1 339.483 2.162 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001049838927 1242371455 /nfs/dbraw/zinc/37/14/55/1242371455.db2.gz ZHYLYHWDTSKWOD-SFHLNBCPSA-N 2 1 339.483 2.162 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](C[C@@H](C)CC)C[C@H]32)CC1 ZINC001050208377 1243125109 /nfs/dbraw/zinc/12/51/09/1243125109.db2.gz JECPAQXRYATTJE-YSIASYRMSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517775 1243770703 /nfs/dbraw/zinc/77/07/03/1243770703.db2.gz FLJFPMVJOARGIT-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027113 1245703705 /nfs/dbraw/zinc/70/37/05/1245703705.db2.gz AFHNEQRVUZWQEM-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051456 1245775724 /nfs/dbraw/zinc/77/57/24/1245775724.db2.gz OUDCJKGYWDREKB-ROUUACIJSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096417 1245892928 /nfs/dbraw/zinc/89/29/28/1245892928.db2.gz SXHKQGGSTQFBEC-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001101589194 1245994591 /nfs/dbraw/zinc/99/45/91/1245994591.db2.gz BZLKYWGENLPDMO-QGZVFWFLSA-N 2 1 333.520 2.206 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001101590210 1245997285 /nfs/dbraw/zinc/99/72/85/1245997285.db2.gz DQOWWNJFJJUPQY-KRWDZBQOSA-N 2 1 333.520 2.206 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H](C)[NH+]1CCCCCC1)CCO2 ZINC001053459700 1246358921 /nfs/dbraw/zinc/35/89/21/1246358921.db2.gz WZARFIRXVHZYNH-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001052253438 1246775779 /nfs/dbraw/zinc/77/57/79/1246775779.db2.gz DIJZUQZVFNBZFZ-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001052253438 1246775785 /nfs/dbraw/zinc/77/57/85/1246775785.db2.gz DIJZUQZVFNBZFZ-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001052253438 1246775796 /nfs/dbraw/zinc/77/57/96/1246775796.db2.gz DIJZUQZVFNBZFZ-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052551577 1247541488 /nfs/dbraw/zinc/54/14/88/1247541488.db2.gz FVRZEUWLLICYTJ-MRXNPFEDSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001054165598 1247583282 /nfs/dbraw/zinc/58/32/82/1247583282.db2.gz LBBDAAQGVHLQHS-HXUWFJFHSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001054165598 1247583296 /nfs/dbraw/zinc/58/32/96/1247583296.db2.gz LBBDAAQGVHLQHS-HXUWFJFHSA-N 2 1 342.487 2.262 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205082 1247709555 /nfs/dbraw/zinc/70/95/55/1247709555.db2.gz KGVOELGZEMEWSI-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205082 1247709563 /nfs/dbraw/zinc/70/95/63/1247709563.db2.gz KGVOELGZEMEWSI-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@H+](CCCF)C3)C2)CC1 ZINC001054245291 1247862578 /nfs/dbraw/zinc/86/25/78/1247862578.db2.gz QRYBSFZMKDBHJJ-HXUWFJFHSA-N 2 1 349.494 2.006 20 30 EEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191382298 1281343331 /nfs/dbraw/zinc/34/33/31/1281343331.db2.gz BPKOOTQMCIMCGV-INIZCTEOSA-N 2 1 330.476 2.261 20 30 EEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191382298 1281343342 /nfs/dbraw/zinc/34/33/42/1281343342.db2.gz BPKOOTQMCIMCGV-INIZCTEOSA-N 2 1 330.476 2.261 20 30 EEEDMP C=CCOCC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198229448 1285042742 /nfs/dbraw/zinc/04/27/42/1285042742.db2.gz IMYFLQBCAQDPMM-UHFFFAOYSA-N 2 1 345.487 2.099 20 30 EEEDMP CC#CC[NH2+][C@@H](CNC(=O)CC[N@@H+](C)CCC)c1ccccc1OC ZINC001198969766 1285452053 /nfs/dbraw/zinc/45/20/53/1285452053.db2.gz WDHJSKDSCGYHRQ-SFHVURJKSA-N 2 1 345.487 2.197 20 30 EEEDMP CC#CC[NH2+][C@@H](CNC(=O)CC[N@H+](C)CCC)c1ccccc1OC ZINC001198969766 1285452057 /nfs/dbraw/zinc/45/20/57/1285452057.db2.gz WDHJSKDSCGYHRQ-SFHVURJKSA-N 2 1 345.487 2.197 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001202496794 1293718678 /nfs/dbraw/zinc/71/86/78/1293718678.db2.gz YSBOXIKUHCLHDO-SFHVURJKSA-N 2 1 339.483 2.103 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001202496793 1293718775 /nfs/dbraw/zinc/71/87/75/1293718775.db2.gz YSBOXIKUHCLHDO-GOSISDBHSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCC(C)C)C2)CC1 ZINC001072095699 1295237348 /nfs/dbraw/zinc/23/73/48/1295237348.db2.gz MXGQQJYSDQLOKS-HKUYNNGSSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058815 1298838754 /nfs/dbraw/zinc/83/87/54/1298838754.db2.gz LVBKAPGKUGOFLF-LPHOPBHVSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058815 1298838764 /nfs/dbraw/zinc/83/87/64/1298838764.db2.gz LVBKAPGKUGOFLF-LPHOPBHVSA-N 2 1 328.460 2.001 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548497 1299209627 /nfs/dbraw/zinc/20/96/27/1299209627.db2.gz WLAZITCKHFITIC-MANSERQUSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCCC)CC1 ZINC001223495111 1300154390 /nfs/dbraw/zinc/15/43/90/1300154390.db2.gz JHWUCSQEWRSKKE-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCCC)CC1 ZINC001223495111 1300154400 /nfs/dbraw/zinc/15/44/00/1300154400.db2.gz JHWUCSQEWRSKKE-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]21 ZINC001223690806 1300228371 /nfs/dbraw/zinc/22/83/71/1300228371.db2.gz LKIPPLZBDDISJM-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108348 1300321575 /nfs/dbraw/zinc/32/15/75/1300321575.db2.gz IKJOUIQXIMPYCC-IAGOWNOFSA-N 2 1 330.476 2.168 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001225228492 1300935321 /nfs/dbraw/zinc/93/53/21/1300935321.db2.gz MLAGYXLYXGLTHF-UHFFFAOYSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](C)C ZINC001102377898 1300958096 /nfs/dbraw/zinc/95/80/96/1300958096.db2.gz ITMNZXTUKCNNBX-LZQZEXGQSA-N 2 1 342.487 2.083 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001226333820 1301363663 /nfs/dbraw/zinc/36/36/63/1301363663.db2.gz NJAMRGARGIDIEJ-GVDBMIGSSA-N 2 1 330.476 2.437 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103082171 1302184696 /nfs/dbraw/zinc/18/46/96/1302184696.db2.gz GNFXMATWZLNYRE-GUDVDZBRSA-N 2 1 333.520 2.062 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103082171 1302184698 /nfs/dbraw/zinc/18/46/98/1302184698.db2.gz GNFXMATWZLNYRE-GUDVDZBRSA-N 2 1 333.520 2.062 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103082171 1302184702 /nfs/dbraw/zinc/18/47/02/1302184702.db2.gz GNFXMATWZLNYRE-GUDVDZBRSA-N 2 1 333.520 2.062 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103086414 1302192829 /nfs/dbraw/zinc/19/28/29/1302192829.db2.gz AVOURSOAWZZODQ-DAXOMENPSA-N 2 1 327.900 2.153 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001228603655 1302332343 /nfs/dbraw/zinc/33/23/43/1302332343.db2.gz QXVGKXSRLJUQCO-CGTJXYLNSA-N 2 1 330.476 2.347 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483655 1303017053 /nfs/dbraw/zinc/01/70/53/1303017053.db2.gz KRCSRIMOJLJNQZ-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483655 1303017060 /nfs/dbraw/zinc/01/70/60/1303017060.db2.gz KRCSRIMOJLJNQZ-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104210934 1303650245 /nfs/dbraw/zinc/65/02/45/1303650245.db2.gz JQHBYZUDRHRWFG-DTZQCDIJSA-N 2 1 327.900 2.153 20 30 EEEDMP CC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277889036 1305023121 /nfs/dbraw/zinc/02/31/21/1305023121.db2.gz MZTVDIDNSCDHTJ-JCGIZDLHSA-N 2 1 328.460 2.018 20 30 EEEDMP CC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277889036 1305023128 /nfs/dbraw/zinc/02/31/28/1305023128.db2.gz MZTVDIDNSCDHTJ-JCGIZDLHSA-N 2 1 328.460 2.018 20 30 EEEDMP C[N@H+](Cc1ccccc1)CC(C)(C)C=NNCCC[NH+]1CCOCC1 ZINC000799489161 1305277578 /nfs/dbraw/zinc/27/75/78/1305277578.db2.gz PUJCYOZAEFABOF-UHFFFAOYSA-N 2 1 346.519 2.442 20 30 EEEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C=NNCCC[NH+]1CCOCC1 ZINC000799489161 1305277581 /nfs/dbraw/zinc/27/75/81/1305277581.db2.gz PUJCYOZAEFABOF-UHFFFAOYSA-N 2 1 346.519 2.442 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCCC1 ZINC001115592168 1305465848 /nfs/dbraw/zinc/46/58/48/1305465848.db2.gz WYRAZAARLRTYGR-ROUUACIJSA-N 2 1 331.504 2.435 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120401642 1309511568 /nfs/dbraw/zinc/51/15/68/1309511568.db2.gz KQAKQVDEUPZMGN-ZWKOTPCHSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120401642 1309511578 /nfs/dbraw/zinc/51/15/78/1309511578.db2.gz KQAKQVDEUPZMGN-ZWKOTPCHSA-N 2 1 333.520 2.443 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246304511 1310277091 /nfs/dbraw/zinc/27/70/91/1310277091.db2.gz NHQRALOETMIGGC-YVSFHVDLSA-N 3 1 325.497 2.112 20 30 EEEDMP C[C@@]1([NH3+])CCC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001246556341 1310340305 /nfs/dbraw/zinc/34/03/05/1310340305.db2.gz YXBNWTNBEVYDQY-HXUWFJFHSA-N 2 1 340.471 2.366 20 30 EEEDMP N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246642950 1310367581 /nfs/dbraw/zinc/36/75/81/1310367581.db2.gz NMJRNXFWLZFEGD-MHJFOBGBSA-N 2 1 342.462 2.167 20 30 EEEDMP COC(=O)[C@@H]1C[C@H]([NH3+])C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246798322 1310431711 /nfs/dbraw/zinc/43/17/11/1310431711.db2.gz ROFVWUKFHKTOHJ-IAFLDTSXSA-N 2 1 341.455 2.407 20 30 EEEDMP COC(=O)[C@@H]1C[C@H]([NH3+])C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246798322 1310431714 /nfs/dbraw/zinc/43/17/14/1310431714.db2.gz ROFVWUKFHKTOHJ-IAFLDTSXSA-N 2 1 341.455 2.407 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150780049 1316371772 /nfs/dbraw/zinc/37/17/72/1316371772.db2.gz YOCRUIGZYUYYBP-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001151327268 1316505033 /nfs/dbraw/zinc/50/50/33/1316505033.db2.gz VFOAZZKFKMEOAP-QGZVFWFLSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001153801924 1316886514 /nfs/dbraw/zinc/88/65/14/1316886514.db2.gz BWNUIORFZLFKRX-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001153801924 1316886516 /nfs/dbraw/zinc/88/65/16/1316886516.db2.gz BWNUIORFZLFKRX-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001153801924 1316886518 /nfs/dbraw/zinc/88/65/18/1316886518.db2.gz BWNUIORFZLFKRX-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCc1ccccc1 ZINC001153867609 1316904799 /nfs/dbraw/zinc/90/47/99/1316904799.db2.gz BIHQYZFTSPIRDS-QUCCMNQESA-N 2 1 341.499 2.153 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCc1ccccc1 ZINC001153867609 1316904802 /nfs/dbraw/zinc/90/48/02/1316904802.db2.gz BIHQYZFTSPIRDS-QUCCMNQESA-N 2 1 341.499 2.153 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCc1ccccc1 ZINC001153867609 1316904803 /nfs/dbraw/zinc/90/48/03/1316904803.db2.gz BIHQYZFTSPIRDS-QUCCMNQESA-N 2 1 341.499 2.153 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCc1ccccc1 ZINC001153867609 1316904805 /nfs/dbraw/zinc/90/48/05/1316904805.db2.gz BIHQYZFTSPIRDS-QUCCMNQESA-N 2 1 341.499 2.153 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCc1ccccc1 ZINC001153867609 1316904806 /nfs/dbraw/zinc/90/48/06/1316904806.db2.gz BIHQYZFTSPIRDS-QUCCMNQESA-N 2 1 341.499 2.153 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067162 1317440351 /nfs/dbraw/zinc/44/03/51/1317440351.db2.gz ULWGBSQSLKTFPR-VQIMIIECSA-N 2 1 344.503 2.471 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067162 1317440359 /nfs/dbraw/zinc/44/03/59/1317440359.db2.gz ULWGBSQSLKTFPR-VQIMIIECSA-N 2 1 344.503 2.471 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255208 1317524595 /nfs/dbraw/zinc/52/45/95/1317524595.db2.gz MVXMVOKECKLNLE-DLBZAZTESA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155255208 1317524598 /nfs/dbraw/zinc/52/45/98/1317524598.db2.gz MVXMVOKECKLNLE-DLBZAZTESA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155255208 1317524600 /nfs/dbraw/zinc/52/46/00/1317524600.db2.gz MVXMVOKECKLNLE-DLBZAZTESA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001252594966 1317641577 /nfs/dbraw/zinc/64/15/77/1317641577.db2.gz CURMWZXRMWWWEM-AEFFLSMTSA-N 2 1 338.492 2.053 20 30 EEEDMP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001252594966 1317641582 /nfs/dbraw/zinc/64/15/82/1317641582.db2.gz CURMWZXRMWWWEM-AEFFLSMTSA-N 2 1 338.492 2.053 20 30 EEEDMP CC[C@H](CC#N)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001255169843 1318309525 /nfs/dbraw/zinc/30/95/25/1318309525.db2.gz KMCIZHQAQAFBNM-KZNAEPCWSA-N 2 1 332.492 2.086 20 30 EEEDMP CC[C@H](CC#N)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001255169843 1318309535 /nfs/dbraw/zinc/30/95/35/1318309535.db2.gz KMCIZHQAQAFBNM-KZNAEPCWSA-N 2 1 332.492 2.086 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001158405196 1319223457 /nfs/dbraw/zinc/22/34/57/1319223457.db2.gz NYTRZASRMXQCDE-IEBWSBKVSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001158405196 1319223468 /nfs/dbraw/zinc/22/34/68/1319223468.db2.gz NYTRZASRMXQCDE-IEBWSBKVSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131248 1320078286 /nfs/dbraw/zinc/07/82/86/1320078286.db2.gz IKEFZZLWYNHLNJ-RBUKOAKNSA-N 2 1 329.488 2.023 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131248 1320078292 /nfs/dbraw/zinc/07/82/92/1320078292.db2.gz IKEFZZLWYNHLNJ-RBUKOAKNSA-N 2 1 329.488 2.023 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131248 1320078295 /nfs/dbraw/zinc/07/82/95/1320078295.db2.gz IKEFZZLWYNHLNJ-RBUKOAKNSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](CC)c1ccccc1 ZINC001160209515 1320099649 /nfs/dbraw/zinc/09/96/49/1320099649.db2.gz NZTNJKFTVUMOQE-OALUTQOASA-N 2 1 327.472 2.331 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](CC)c1ccccc1 ZINC001160209515 1320099654 /nfs/dbraw/zinc/09/96/54/1320099654.db2.gz NZTNJKFTVUMOQE-OALUTQOASA-N 2 1 327.472 2.331 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001160267694 1320117490 /nfs/dbraw/zinc/11/74/90/1320117490.db2.gz QJQPOCOAIDYSDS-GOSISDBHSA-N 2 1 328.460 2.029 20 30 EEEDMP CCCc1cc(C#N)c(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nc1Cl ZINC001160512655 1320180237 /nfs/dbraw/zinc/18/02/37/1320180237.db2.gz CVSHENPKCIQACH-QGZVFWFLSA-N 2 1 333.867 2.394 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001161220135 1320423863 /nfs/dbraw/zinc/42/38/63/1320423863.db2.gz VXDBCLGHGKAZMD-UHFFFAOYSA-N 2 1 339.483 2.176 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161446041 1320504215 /nfs/dbraw/zinc/50/42/15/1320504215.db2.gz VUONJUFNWRANIK-RTBURBONSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161446041 1320504219 /nfs/dbraw/zinc/50/42/19/1320504219.db2.gz VUONJUFNWRANIK-RTBURBONSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161446041 1320504225 /nfs/dbraw/zinc/50/42/25/1320504225.db2.gz VUONJUFNWRANIK-RTBURBONSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947003 1320689680 /nfs/dbraw/zinc/68/96/80/1320689680.db2.gz RFNWSJQJLCVPKU-IBGZPJMESA-N 2 1 325.456 2.061 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947003 1320689686 /nfs/dbraw/zinc/68/96/86/1320689686.db2.gz RFNWSJQJLCVPKU-IBGZPJMESA-N 2 1 325.456 2.061 20 30 EEEDMP C=C(C)C[NH+]1CCC(CNC(=O)CC[N@H+](C)CCC)(COC)CC1 ZINC001162581269 1320903815 /nfs/dbraw/zinc/90/38/15/1320903815.db2.gz CXBWHKMEHYHQLY-UHFFFAOYSA-N 2 1 339.524 2.139 20 30 EEEDMP CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204882575 1322243907 /nfs/dbraw/zinc/24/39/07/1322243907.db2.gz IQPFSTWIFSWZQJ-SFHVURJKSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204882575 1322243911 /nfs/dbraw/zinc/24/39/11/1322243911.db2.gz IQPFSTWIFSWZQJ-SFHVURJKSA-N 2 1 339.524 2.116 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420045 1323123573 /nfs/dbraw/zinc/12/35/73/1323123573.db2.gz AZAFKODCZUXUHF-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492178 1324524531 /nfs/dbraw/zinc/52/45/31/1324524531.db2.gz GXRUKJQZZMWENH-CRAIPNDOSA-N 2 1 347.890 2.080 20 30 EEEDMP C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492178 1324524533 /nfs/dbraw/zinc/52/45/33/1324524533.db2.gz GXRUKJQZZMWENH-CRAIPNDOSA-N 2 1 347.890 2.080 20 30 EEEDMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cc1C#N ZINC001276608037 1324762051 /nfs/dbraw/zinc/76/20/51/1324762051.db2.gz JKJFEJAEXQQWFS-UHFFFAOYSA-N 2 1 338.459 2.108 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210214368 1325202573 /nfs/dbraw/zinc/20/25/73/1325202573.db2.gz XYYBCQZSUQTROL-YVWKXTFCSA-N 2 1 329.488 2.476 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210214368 1325202582 /nfs/dbraw/zinc/20/25/82/1325202582.db2.gz XYYBCQZSUQTROL-YVWKXTFCSA-N 2 1 329.488 2.476 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001491859073 1330276713 /nfs/dbraw/zinc/27/67/13/1330276713.db2.gz PEVNGFWZYUNCCT-KRWDZBQOSA-N 2 1 335.879 2.309 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001491859073 1330276714 /nfs/dbraw/zinc/27/67/14/1330276714.db2.gz PEVNGFWZYUNCCT-KRWDZBQOSA-N 2 1 335.879 2.309 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001491891403 1330291965 /nfs/dbraw/zinc/29/19/65/1330291965.db2.gz KBPNXFFBLDTJPM-MOPGFXCFSA-N 2 1 342.487 2.417 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001100460057 1338396645 /nfs/dbraw/zinc/39/66/45/1338396645.db2.gz NKFKGHIYLATOLM-UHFFFAOYSA-N 2 1 342.487 2.273 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001201267429 1368800200 /nfs/dbraw/zinc/80/02/00/1368800200.db2.gz OBBQLLQZRDOINH-FQEVSTJZSA-N 2 1 339.483 2.103 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001367837771 1374280973 /nfs/dbraw/zinc/28/09/73/1374280973.db2.gz UQMZNCZZQWXUEA-CRAIPNDOSA-N 2 1 330.476 2.081 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001370783992 1375033142 /nfs/dbraw/zinc/03/31/42/1375033142.db2.gz ZDJRAYFDOXAXIO-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001371690428 1375583151 /nfs/dbraw/zinc/58/31/51/1375583151.db2.gz NSVPOHZXRUCGPU-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001371690428 1375583156 /nfs/dbraw/zinc/58/31/56/1375583156.db2.gz NSVPOHZXRUCGPU-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001371690428 1375583161 /nfs/dbraw/zinc/58/31/61/1375583161.db2.gz NSVPOHZXRUCGPU-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001377002863 1378911470 /nfs/dbraw/zinc/91/14/70/1378911470.db2.gz XLWRUMNNIWFPRT-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001377002863 1378911478 /nfs/dbraw/zinc/91/14/78/1378911478.db2.gz XLWRUMNNIWFPRT-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001377002863 1378911484 /nfs/dbraw/zinc/91/14/84/1378911484.db2.gz XLWRUMNNIWFPRT-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001752788088 1406407963 /nfs/dbraw/zinc/40/79/63/1406407963.db2.gz AUZLWOCATMPXPS-HXUWFJFHSA-N 2 1 341.499 2.208 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001752788088 1406407976 /nfs/dbraw/zinc/40/79/76/1406407976.db2.gz AUZLWOCATMPXPS-HXUWFJFHSA-N 2 1 341.499 2.208 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001752788088 1406407984 /nfs/dbraw/zinc/40/79/84/1406407984.db2.gz AUZLWOCATMPXPS-HXUWFJFHSA-N 2 1 341.499 2.208 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752801604 1406422449 /nfs/dbraw/zinc/42/24/49/1406422449.db2.gz PULVHPHSNGMRGS-KRWDZBQOSA-N 2 1 333.520 2.491 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001393544897 1390466283 /nfs/dbraw/zinc/46/62/83/1390466283.db2.gz GYSDHUVLAKQNPJ-SFHVURJKSA-N 2 1 340.471 2.171 20 30 EEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001394545329 1390727112 /nfs/dbraw/zinc/72/71/12/1390727112.db2.gz KAZVZHQDXFKMCB-CYBMUJFWSA-N 2 1 333.823 2.070 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001752834158 1406461696 /nfs/dbraw/zinc/46/16/96/1406461696.db2.gz ORADHAWEKJVHJB-QZTJIDSGSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001752834158 1406461704 /nfs/dbraw/zinc/46/17/04/1406461704.db2.gz ORADHAWEKJVHJB-QZTJIDSGSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001752834158 1406461710 /nfs/dbraw/zinc/46/17/10/1406461710.db2.gz ORADHAWEKJVHJB-QZTJIDSGSA-N 2 1 333.520 2.443 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001402992527 1398308696 /nfs/dbraw/zinc/30/86/96/1398308696.db2.gz CSXZHTJRKVBOFS-ZDUSSCGKSA-N 2 1 336.505 2.192 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)s1)C(=O)C1(C[NH+](C)C)CC1 ZINC001424299752 1401035824 /nfs/dbraw/zinc/03/58/24/1401035824.db2.gz JEQDPUNZMYNICC-UHFFFAOYSA-N 2 1 348.516 2.242 20 30 EEEDMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001425063584 1401423696 /nfs/dbraw/zinc/42/36/96/1401423696.db2.gz GIUIEFXWDLIMCI-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001425063584 1401423703 /nfs/dbraw/zinc/42/37/03/1401423703.db2.gz GIUIEFXWDLIMCI-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001755360158 1407358242 /nfs/dbraw/zinc/35/82/42/1407358242.db2.gz SEPMSAFAJZYQMS-QFBILLFUSA-N 2 1 339.499 2.487 20 30 EEEDMP C=C(Br)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001725396217 1405790482 /nfs/dbraw/zinc/79/04/82/1405790482.db2.gz SYEXKZMBNGPOFZ-KBPBESRZSA-N 2 1 346.313 2.254 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC/C=C\CC)C2 ZINC001755456035 1407480281 /nfs/dbraw/zinc/48/02/81/1407480281.db2.gz HRRJYDRVRJFTEQ-VOFKWLDRSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC/C=C\CC)C2 ZINC001755456035 1407480283 /nfs/dbraw/zinc/48/02/83/1407480283.db2.gz HRRJYDRVRJFTEQ-VOFKWLDRSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC/C=C\CC)C2 ZINC001755456035 1407480290 /nfs/dbraw/zinc/48/02/90/1407480290.db2.gz HRRJYDRVRJFTEQ-VOFKWLDRSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC/C=C\CC)C2 ZINC001755456035 1407480294 /nfs/dbraw/zinc/48/02/94/1407480294.db2.gz HRRJYDRVRJFTEQ-VOFKWLDRSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC/C=C\CC)C2 ZINC001755456035 1407480297 /nfs/dbraw/zinc/48/02/97/1407480297.db2.gz HRRJYDRVRJFTEQ-VOFKWLDRSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccsc1 ZINC001755501515 1407545110 /nfs/dbraw/zinc/54/51/10/1407545110.db2.gz LWJMRNQZWQIVSX-WBVHZDCISA-N 2 1 333.501 2.220 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccsc1 ZINC001755501515 1407545115 /nfs/dbraw/zinc/54/51/15/1407545115.db2.gz LWJMRNQZWQIVSX-WBVHZDCISA-N 2 1 333.501 2.220 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001121232659 1410218215 /nfs/dbraw/zinc/21/82/15/1410218215.db2.gz HJUQHSWXEHINIF-UFQJCFOOSA-N 2 1 331.504 2.005 20 30 EEEDMP C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972080 782671945 /nfs/dbraw/zinc/67/19/45/782671945.db2.gz KLUIHVGOUHZDOE-LTIDMASMSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972080 782671948 /nfs/dbraw/zinc/67/19/48/782671948.db2.gz KLUIHVGOUHZDOE-LTIDMASMSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972080 782671953 /nfs/dbraw/zinc/67/19/53/782671953.db2.gz KLUIHVGOUHZDOE-LTIDMASMSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972080 782671958 /nfs/dbraw/zinc/67/19/58/782671958.db2.gz KLUIHVGOUHZDOE-LTIDMASMSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972080 782671960 /nfs/dbraw/zinc/67/19/60/782671960.db2.gz KLUIHVGOUHZDOE-LTIDMASMSA-N 2 1 339.911 2.250 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527327 770116476 /nfs/dbraw/zinc/11/64/76/770116476.db2.gz NLMGTZOABGUFNU-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)CC1 ZINC001089564865 770422060 /nfs/dbraw/zinc/42/20/60/770422060.db2.gz KGAPEHCMQIVDOP-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089868544 782932069 /nfs/dbraw/zinc/93/20/69/782932069.db2.gz DCCHGZCDANIEIJ-NMLBUPMWSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088142228 782970445 /nfs/dbraw/zinc/97/04/45/782970445.db2.gz YOYJHIPGTSOLBZ-MOPGFXCFSA-N 2 1 327.472 2.328 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980220277 774134244 /nfs/dbraw/zinc/13/42/44/774134244.db2.gz ZBOPNKNEBYHGBL-BBWFWOEESA-N 2 1 340.471 2.001 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001212282339 774758799 /nfs/dbraw/zinc/75/87/99/774758799.db2.gz PUBUWCWDMQBRQE-IAGOWNOFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001171247204 790458764 /nfs/dbraw/zinc/45/87/64/790458764.db2.gz JQZKVYOSNUYGGY-MSOLQXFVSA-N 2 1 349.523 2.044 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001089824052 777046924 /nfs/dbraw/zinc/04/69/24/777046924.db2.gz IVEOYVNKADZUHX-VJANTYMQSA-N 2 1 343.515 2.217 20 30 EEEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001127685740 778863208 /nfs/dbraw/zinc/86/32/08/778863208.db2.gz RYXNORGKQGZBEG-CYBMUJFWSA-N 2 1 345.472 2.236 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163417 779183479 /nfs/dbraw/zinc/18/34/79/779183479.db2.gz ARNLMLIGCARKSJ-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164670 779191725 /nfs/dbraw/zinc/19/17/25/779191725.db2.gz WTJQOOGMHIEWCQ-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164670 779191728 /nfs/dbraw/zinc/19/17/28/779191728.db2.gz WTJQOOGMHIEWCQ-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982234979 779306076 /nfs/dbraw/zinc/30/60/76/779306076.db2.gz FWCZTCXEVPLQSW-BHYGNILZSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982234979 779306080 /nfs/dbraw/zinc/30/60/80/779306080.db2.gz FWCZTCXEVPLQSW-BHYGNILZSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234979 779306081 /nfs/dbraw/zinc/30/60/81/779306081.db2.gz FWCZTCXEVPLQSW-BHYGNILZSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234979 779306083 /nfs/dbraw/zinc/30/60/83/779306083.db2.gz FWCZTCXEVPLQSW-BHYGNILZSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982296086 779606388 /nfs/dbraw/zinc/60/63/88/779606388.db2.gz JLJWBNSCMWQZOA-YSIASYRMSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982296086 779606392 /nfs/dbraw/zinc/60/63/92/779606392.db2.gz JLJWBNSCMWQZOA-YSIASYRMSA-N 2 1 331.504 2.053 20 30 EEEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261665039 779817760 /nfs/dbraw/zinc/81/77/60/779817760.db2.gz GGPFHOAVQCSBRN-BZZMCLGOSA-N 2 1 346.519 2.126 20 30 EEEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261665039 779817768 /nfs/dbraw/zinc/81/77/68/779817768.db2.gz GGPFHOAVQCSBRN-BZZMCLGOSA-N 2 1 346.519 2.126 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343543 780836918 /nfs/dbraw/zinc/83/69/18/780836918.db2.gz PHRDRVNAEYOVQM-MRXNPFEDSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233509 784145229 /nfs/dbraw/zinc/14/52/29/784145229.db2.gz GAHZLOPVGZQHFX-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135976829 784926691 /nfs/dbraw/zinc/92/66/91/784926691.db2.gz OEYPMJOFEQCANC-LSDHHAIUSA-N 2 1 348.466 2.412 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135977784 784928668 /nfs/dbraw/zinc/92/86/68/784928668.db2.gz ZAQXDYSIGKMOGQ-ZWKOTPCHSA-N 2 1 329.488 2.253 20 30 EEEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC001035772593 785152703 /nfs/dbraw/zinc/15/27/03/785152703.db2.gz GPQJGMDBSUHGTJ-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997787249 791095070 /nfs/dbraw/zinc/09/50/70/791095070.db2.gz ZSBSZCCYOZXHHT-PKOBYXMFSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C)CC1 ZINC000996687224 787138601 /nfs/dbraw/zinc/13/86/01/787138601.db2.gz VQOQOKRWOSBJIF-FQEVSTJZSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C)CC1 ZINC000996687224 787138608 /nfs/dbraw/zinc/13/86/08/787138608.db2.gz VQOQOKRWOSBJIF-FQEVSTJZSA-N 2 1 339.483 2.173 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(C#N)ccc2F)CC1 ZINC000823300123 787686333 /nfs/dbraw/zinc/68/63/33/787686333.db2.gz LHHGLOQAJGZXRA-UHFFFAOYSA-N 2 1 339.374 2.096 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646870 787998254 /nfs/dbraw/zinc/99/82/54/787998254.db2.gz ZLQXYONJILKBON-SFHLNBCPSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000997093794 788775496 /nfs/dbraw/zinc/77/54/96/788775496.db2.gz OEEYAYHBIKPZAG-JKSUJKDBSA-N 2 1 325.884 2.336 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC=C(C)C)CC1 ZINC000997148369 789135598 /nfs/dbraw/zinc/13/55/98/789135598.db2.gz GTYWCMFGRPHEOW-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC=C(C)C)CC1 ZINC000997148369 789135602 /nfs/dbraw/zinc/13/56/02/789135602.db2.gz GTYWCMFGRPHEOW-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(C)C)C[C@H]3CC2)CC1 ZINC000946902697 789585130 /nfs/dbraw/zinc/58/51/30/789585130.db2.gz VYNMFFSLFFROJV-BGYRXZFFSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cccc(C)c2)C1 ZINC001091075651 789725173 /nfs/dbraw/zinc/72/51/73/789725173.db2.gz SMOWZHWBQFXBBW-MHJFOBGBSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cccc(C)c2)C1 ZINC001091075651 789725177 /nfs/dbraw/zinc/72/51/77/789725177.db2.gz SMOWZHWBQFXBBW-MHJFOBGBSA-N 2 1 339.483 2.077 20 30 EEEDMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001171215831 790074408 /nfs/dbraw/zinc/07/44/08/790074408.db2.gz CYNAFHPNSJLHQH-QGZVFWFLSA-N 2 1 347.890 2.129 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872163 791244368 /nfs/dbraw/zinc/24/43/68/791244368.db2.gz DFLGAVVMMBTRSN-LMCOJAPRSA-N 2 1 341.499 2.487 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872163 791244376 /nfs/dbraw/zinc/24/43/76/791244376.db2.gz DFLGAVVMMBTRSN-LMCOJAPRSA-N 2 1 341.499 2.487 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000998118918 791998437 /nfs/dbraw/zinc/99/84/37/791998437.db2.gz YIAIPPQSJBQNCU-HOTGVXAUSA-N 2 1 328.460 2.166 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(CC)CC)[C@@H]2C)CC1 ZINC001089059365 792020810 /nfs/dbraw/zinc/02/08/10/792020810.db2.gz JGSLXYHWPXOJLK-APWZRJJASA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC000998184948 792161710 /nfs/dbraw/zinc/16/17/10/792161710.db2.gz BKVZNXHPKGESRP-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000998184948 792161715 /nfs/dbraw/zinc/16/17/15/792161715.db2.gz BKVZNXHPKGESRP-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000998184948 792161722 /nfs/dbraw/zinc/16/17/22/792161722.db2.gz BKVZNXHPKGESRP-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040479198 792447048 /nfs/dbraw/zinc/44/70/48/792447048.db2.gz PGJMNHAWNITGIA-FQEVSTJZSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C(F)(F)F ZINC000998284378 792464077 /nfs/dbraw/zinc/46/40/77/792464077.db2.gz YJHOWMLSHMJLCM-KBPBESRZSA-N 2 1 344.381 2.137 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089928657 792575274 /nfs/dbraw/zinc/57/52/74/792575274.db2.gz LLRYFQDNQYVBQX-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089928657 792575279 /nfs/dbraw/zinc/57/52/79/792575279.db2.gz LLRYFQDNQYVBQX-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089928657 792575294 /nfs/dbraw/zinc/57/52/94/792575294.db2.gz LLRYFQDNQYVBQX-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925166 792998598 /nfs/dbraw/zinc/99/85/98/792998598.db2.gz MZRDYDUBMCSARR-OKZBNKHCSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939108 793026221 /nfs/dbraw/zinc/02/62/21/793026221.db2.gz ILMONWTWTDGWIJ-KSZLIROESA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943941 793449103 /nfs/dbraw/zinc/44/91/03/793449103.db2.gz KYWXWFKRBAKARX-GGPKGHCWSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943941 793449108 /nfs/dbraw/zinc/44/91/08/793449108.db2.gz KYWXWFKRBAKARX-GGPKGHCWSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943941 793449112 /nfs/dbraw/zinc/44/91/12/793449112.db2.gz KYWXWFKRBAKARX-GGPKGHCWSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000999391570 794404632 /nfs/dbraw/zinc/40/46/32/794404632.db2.gz LYLDSHKIODVCTC-MSOLQXFVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000999391570 794404635 /nfs/dbraw/zinc/40/46/35/794404635.db2.gz LYLDSHKIODVCTC-MSOLQXFVSA-N 2 1 331.504 2.101 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999405207 794418781 /nfs/dbraw/zinc/41/87/81/794418781.db2.gz CZYJTRJYVYUHIC-NFOMZHRRSA-N 2 1 346.500 2.183 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079206137 794455991 /nfs/dbraw/zinc/45/59/91/794455991.db2.gz YIOXUGGBDZWKRC-AYOQOUSVSA-N 2 1 345.462 2.238 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999515866 794571217 /nfs/dbraw/zinc/57/12/17/794571217.db2.gz ZRBQVODTJROESL-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249276 795288218 /nfs/dbraw/zinc/28/82/18/795288218.db2.gz FMXVQVFSDUUZNH-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)CC[NH+]1CC(OC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001093541972 795351931 /nfs/dbraw/zinc/35/19/31/795351931.db2.gz CTYKAWRBMDSAIQ-UHFFFAOYSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC3CCC3)C2)CC1 ZINC001036903147 796441727 /nfs/dbraw/zinc/44/17/27/796441727.db2.gz WPBWUCVCZLFSRB-PMACEKPBSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CCCCC2)CC1 ZINC001032801957 796465386 /nfs/dbraw/zinc/46/53/86/796465386.db2.gz NINXSVDUZLEUBB-PMACEKPBSA-N 2 1 341.499 2.117 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161533 796537887 /nfs/dbraw/zinc/53/78/87/796537887.db2.gz IIAZBJNDZFRYNM-YDZRNGNQSA-N 2 1 349.519 2.031 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081028349 796553395 /nfs/dbraw/zinc/55/33/95/796553395.db2.gz DGJMMPUGLLYAMX-NVXWUHKLSA-N 2 1 331.460 2.195 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993619640 796845656 /nfs/dbraw/zinc/84/56/56/796845656.db2.gz HIJXKAOSUMYRCK-VQIMIIECSA-N 2 1 327.472 2.007 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799573 796912295 /nfs/dbraw/zinc/91/22/95/796912295.db2.gz VWFMWMLTDKPQJV-KZNAEPCWSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799573 796912299 /nfs/dbraw/zinc/91/22/99/796912299.db2.gz VWFMWMLTDKPQJV-KZNAEPCWSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799573 796912300 /nfs/dbraw/zinc/91/23/00/796912300.db2.gz VWFMWMLTDKPQJV-KZNAEPCWSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001771824 797188684 /nfs/dbraw/zinc/18/86/84/797188684.db2.gz FNGUCJMRRULKOO-QGZVFWFLSA-N 2 1 330.476 2.158 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H]1C ZINC000994141829 797356701 /nfs/dbraw/zinc/35/67/01/797356701.db2.gz ADWHJGYFSJOBDY-VQIMIIECSA-N 2 1 336.439 2.478 20 30 EEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272062 798064655 /nfs/dbraw/zinc/06/46/55/798064655.db2.gz GUQFZCGUYQFZKD-RDJZCZTQSA-N 2 1 330.476 2.042 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001084418148 798184998 /nfs/dbraw/zinc/18/49/98/798184998.db2.gz XWHNVOSCZAMTSU-FGTMMUONSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001084418148 798185001 /nfs/dbraw/zinc/18/50/01/798185001.db2.gz XWHNVOSCZAMTSU-FGTMMUONSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084418148 798185003 /nfs/dbraw/zinc/18/50/03/798185003.db2.gz XWHNVOSCZAMTSU-FGTMMUONSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084418148 798185007 /nfs/dbraw/zinc/18/50/07/798185007.db2.gz XWHNVOSCZAMTSU-FGTMMUONSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101381 798675152 /nfs/dbraw/zinc/67/51/52/798675152.db2.gz HMTIWHBFZRKVKE-YZGWKJHDSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101381 798675154 /nfs/dbraw/zinc/67/51/54/798675154.db2.gz HMTIWHBFZRKVKE-YZGWKJHDSA-N 2 1 339.483 2.235 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCn2ncc(CNC(=O)CCC[NH+](C)C)c2C1 ZINC001128463296 799689128 /nfs/dbraw/zinc/68/91/28/799689128.db2.gz FKROTBRQADKCGC-INIZCTEOSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCn2ncc(CNC(=O)CCC[NH+](C)C)c2C1 ZINC001128463296 799689132 /nfs/dbraw/zinc/68/91/32/799689132.db2.gz FKROTBRQADKCGC-INIZCTEOSA-N 2 1 347.507 2.011 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181729173 800882215 /nfs/dbraw/zinc/88/22/15/800882215.db2.gz XDRYICMDORCVNO-SLYNCCJLSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086110135 802199543 /nfs/dbraw/zinc/19/95/43/802199543.db2.gz VGHNDXNHRVKOLE-UHOSZYNNSA-N 2 1 343.515 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086110135 802199546 /nfs/dbraw/zinc/19/95/46/802199546.db2.gz VGHNDXNHRVKOLE-UHOSZYNNSA-N 2 1 343.515 2.149 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001086119354 802216608 /nfs/dbraw/zinc/21/66/08/802216608.db2.gz KPGCEONHOMRXFX-FZKCQIBNSA-N 2 1 325.884 2.240 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638702 802529811 /nfs/dbraw/zinc/52/98/11/802529811.db2.gz ZGJRSFCPLLIWDP-HDICACEKSA-N 2 1 331.504 2.219 20 30 EEEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001108258015 802598571 /nfs/dbraw/zinc/59/85/71/802598571.db2.gz OVJXYZSDOSSBJT-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001108258015 802598577 /nfs/dbraw/zinc/59/85/77/802598577.db2.gz OVJXYZSDOSSBJT-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001108258015 802598583 /nfs/dbraw/zinc/59/85/83/802598583.db2.gz OVJXYZSDOSSBJT-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cnc(C)n4C3)CC[C@@H]2C1 ZINC000946740036 802967714 /nfs/dbraw/zinc/96/77/14/802967714.db2.gz MTLPJALBTCKVKE-KSZLIROESA-N 2 1 342.487 2.110 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CC[C@@H]2C1 ZINC000946740036 802967720 /nfs/dbraw/zinc/96/77/20/802967720.db2.gz MTLPJALBTCKVKE-KSZLIROESA-N 2 1 342.487 2.110 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CC[C@@H]2C1 ZINC000946740036 802967726 /nfs/dbraw/zinc/96/77/26/802967726.db2.gz MTLPJALBTCKVKE-KSZLIROESA-N 2 1 342.487 2.110 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109472717 805525455 /nfs/dbraw/zinc/52/54/55/805525455.db2.gz ATCDBCUDDQNTAP-SQNIBIBYSA-N 2 1 331.504 2.384 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472717 805525461 /nfs/dbraw/zinc/52/54/61/805525461.db2.gz ATCDBCUDDQNTAP-SQNIBIBYSA-N 2 1 331.504 2.384 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472717 805525466 /nfs/dbraw/zinc/52/54/66/805525466.db2.gz ATCDBCUDDQNTAP-SQNIBIBYSA-N 2 1 331.504 2.384 20 30 EEEDMP CCCCCCC[NH+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001112863595 807479343 /nfs/dbraw/zinc/47/93/43/807479343.db2.gz FNHLNTTXGIRBLT-UHFFFAOYSA-N 2 1 349.523 2.173 20 30 EEEDMP C[NH+]1CCN(C2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C2)CC1 ZINC001170397778 809926803 /nfs/dbraw/zinc/92/68/03/809926803.db2.gz GVPRGYKZGGENMW-UHFFFAOYSA-N 2 1 338.499 2.322 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001131666841 813096053 /nfs/dbraw/zinc/09/60/53/813096053.db2.gz SZCXUEUTILUCFP-IEBWSBKVSA-N 2 1 349.519 2.129 20 30 EEEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)Cc1ccc(C#N)s1 ZINC001437596434 1090100786 /nfs/dbraw/zinc/10/07/86/1090100786.db2.gz BVJHVCVXXSTSLM-QGZVFWFLSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)Cc1ccc(C#N)s1 ZINC001437596434 1090100788 /nfs/dbraw/zinc/10/07/88/1090100788.db2.gz BVJHVCVXXSTSLM-QGZVFWFLSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)Cc1ccc(C#N)s1 ZINC001437596434 1090100791 /nfs/dbraw/zinc/10/07/91/1090100791.db2.gz BVJHVCVXXSTSLM-QGZVFWFLSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(C#N)s1 ZINC001437596434 1090100793 /nfs/dbraw/zinc/10/07/93/1090100793.db2.gz BVJHVCVXXSTSLM-QGZVFWFLSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001440653202 1093924251 /nfs/dbraw/zinc/92/42/51/1093924251.db2.gz YRQKAVCJTBIIDQ-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001440653202 1093924255 /nfs/dbraw/zinc/92/42/55/1093924255.db2.gz YRQKAVCJTBIIDQ-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001440653202 1093924259 /nfs/dbraw/zinc/92/42/59/1093924259.db2.gz YRQKAVCJTBIIDQ-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1cccc(C#N)c1 ZINC001440739907 1093988452 /nfs/dbraw/zinc/98/84/52/1093988452.db2.gz UJCXTOVREUMTBZ-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001440739907 1093988454 /nfs/dbraw/zinc/98/84/54/1093988454.db2.gz UJCXTOVREUMTBZ-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001440739907 1093988456 /nfs/dbraw/zinc/98/84/56/1093988456.db2.gz UJCXTOVREUMTBZ-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001447320252 1102440931 /nfs/dbraw/zinc/44/09/31/1102440931.db2.gz KPYFFVFDOBPIQD-MOPGFXCFSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001448300789 1104346913 /nfs/dbraw/zinc/34/69/13/1104346913.db2.gz GKKCTJLOOPIUPI-ZDUSSCGKSA-N 2 1 346.500 2.041 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001494916998 1104554433 /nfs/dbraw/zinc/55/44/33/1104554433.db2.gz FFRPBGYBPKPUMO-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001494916998 1104554435 /nfs/dbraw/zinc/55/44/35/1104554435.db2.gz FFRPBGYBPKPUMO-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001494916998 1104554436 /nfs/dbraw/zinc/55/44/36/1104554436.db2.gz FFRPBGYBPKPUMO-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000330028615 539786993 /nfs/dbraw/zinc/78/69/93/539786993.db2.gz OTYWTTZXXORLNT-GFCCVEGCSA-N 2 1 342.447 2.178 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000330028615 539786995 /nfs/dbraw/zinc/78/69/95/539786995.db2.gz OTYWTTZXXORLNT-GFCCVEGCSA-N 2 1 342.447 2.178 20 30 EEEDMP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1C#N ZINC000174409064 533657635 /nfs/dbraw/zinc/65/76/35/533657635.db2.gz RZLBTIODSRTXEU-MRXNPFEDSA-N 2 1 329.444 2.157 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000173195963 464208849 /nfs/dbraw/zinc/20/88/49/464208849.db2.gz CRYGWTCMRDRBHD-GOSISDBHSA-N 2 1 334.508 2.201 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(-c2ccccc2)no1 ZINC000264078892 464280095 /nfs/dbraw/zinc/28/00/95/464280095.db2.gz GTTNTSOEJKUQTH-OAHLLOKOSA-N 2 1 327.432 2.230 20 30 EEEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000264091700 464282421 /nfs/dbraw/zinc/28/24/21/464282421.db2.gz LEWOXXBAOADSKO-CRAIPNDOSA-N 2 1 348.491 2.161 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000294461187 464506105 /nfs/dbraw/zinc/50/61/05/464506105.db2.gz CFJHUOMUCOLPNV-UHFFFAOYSA-N 2 1 325.416 2.038 20 30 EEEDMP CN(C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C1(C#N)CCCCC1 ZINC000367198602 466186447 /nfs/dbraw/zinc/18/64/47/466186447.db2.gz DFLVDMKRWRERQW-UHFFFAOYSA-N 2 1 346.519 2.479 20 30 EEEDMP CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000581675514 468497795 /nfs/dbraw/zinc/49/77/95/468497795.db2.gz VSAYNBWXDHBEFU-AEFFLSMTSA-N 2 1 342.487 2.438 20 30 EEEDMP Cc1cc(NCC[C@@H](C)[NH+](C)C)c(C#N)c(NCC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000596431825 469264742 /nfs/dbraw/zinc/26/47/42/469264742.db2.gz NHDXOWDOHMEIPD-HZPDHXFCSA-N 3 1 346.523 2.766 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000106339380 526591001 /nfs/dbraw/zinc/59/10/01/526591001.db2.gz HNWLEORJQIZSPU-KRWDZBQOSA-N 2 1 336.524 2.447 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000733781590 577257922 /nfs/dbraw/zinc/25/79/22/577257922.db2.gz ZWLRIOQBFRYRGU-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000733781590 577257923 /nfs/dbraw/zinc/25/79/23/577257923.db2.gz ZWLRIOQBFRYRGU-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733781590 577257924 /nfs/dbraw/zinc/25/79/24/577257924.db2.gz ZWLRIOQBFRYRGU-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733781590 577257925 /nfs/dbraw/zinc/25/79/25/577257925.db2.gz ZWLRIOQBFRYRGU-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP N#CCCNC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127953 577513585 /nfs/dbraw/zinc/51/35/85/577513585.db2.gz GGQAMJODDTUGTH-OALUTQOASA-N 2 1 340.471 2.003 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214801 676157527 /nfs/dbraw/zinc/15/75/27/676157527.db2.gz QHFHIIAIVPORCU-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214801 676157528 /nfs/dbraw/zinc/15/75/28/676157528.db2.gz QHFHIIAIVPORCU-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039214801 676157530 /nfs/dbraw/zinc/15/75/30/676157530.db2.gz QHFHIIAIVPORCU-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000949398665 676210673 /nfs/dbraw/zinc/21/06/73/676210673.db2.gz OOQADUFXYOOYMA-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000949398665 676210674 /nfs/dbraw/zinc/21/06/74/676210674.db2.gz OOQADUFXYOOYMA-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000949398665 676210676 /nfs/dbraw/zinc/21/06/76/676210676.db2.gz OOQADUFXYOOYMA-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375732 676532665 /nfs/dbraw/zinc/53/26/65/676532665.db2.gz UZSKUDKGQCLVMD-MSOLQXFVSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375732 676532667 /nfs/dbraw/zinc/53/26/67/676532667.db2.gz UZSKUDKGQCLVMD-MSOLQXFVSA-N 2 1 331.504 2.340 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001022071682 676635684 /nfs/dbraw/zinc/63/56/84/676635684.db2.gz YCZDAPLTWNUQGJ-CEXWTWQISA-N 2 1 340.471 2.168 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)CCC1 ZINC000971675898 676733114 /nfs/dbraw/zinc/73/31/14/676733114.db2.gz BZUCVHPIVXJQHC-GOSISDBHSA-N 2 1 340.471 2.075 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587042 679398910 /nfs/dbraw/zinc/39/89/10/679398910.db2.gz DWVHKWWPIDOJOD-SJORKVTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587042 679398911 /nfs/dbraw/zinc/39/89/11/679398911.db2.gz DWVHKWWPIDOJOD-SJORKVTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000972635999 679472027 /nfs/dbraw/zinc/47/20/27/679472027.db2.gz WKBKPUUXBSYIGS-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001023761808 679567396 /nfs/dbraw/zinc/56/73/96/679567396.db2.gz JUKWZYHEPSLHGZ-LJQANCHMSA-N 2 1 345.531 2.350 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024021270 679764978 /nfs/dbraw/zinc/76/49/78/679764978.db2.gz BOGMBGAPBJCNLE-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024021270 679764979 /nfs/dbraw/zinc/76/49/79/679764979.db2.gz BOGMBGAPBJCNLE-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024569772 681213994 /nfs/dbraw/zinc/21/39/94/681213994.db2.gz GAIGGFJERURNFV-LJQANCHMSA-N 2 1 341.499 2.398 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028758959 682121434 /nfs/dbraw/zinc/12/14/34/682121434.db2.gz LKSHWGAAWVIKNJ-JKSUJKDBSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001028758959 682121437 /nfs/dbraw/zinc/12/14/37/682121437.db2.gz LKSHWGAAWVIKNJ-JKSUJKDBSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028758959 682121442 /nfs/dbraw/zinc/12/14/42/682121442.db2.gz LKSHWGAAWVIKNJ-JKSUJKDBSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028758959 682121445 /nfs/dbraw/zinc/12/14/45/682121445.db2.gz LKSHWGAAWVIKNJ-JKSUJKDBSA-N 2 1 327.900 2.299 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025465833 682840251 /nfs/dbraw/zinc/84/02/51/682840251.db2.gz WLTXFHLPRHUKMQ-NVXWUHKLSA-N 2 1 338.455 2.496 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001025528901 682959801 /nfs/dbraw/zinc/95/98/01/682959801.db2.gz XQIMURKQGLEHAV-HOTGVXAUSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001025528901 682959806 /nfs/dbraw/zinc/95/98/06/682959806.db2.gz XQIMURKQGLEHAV-HOTGVXAUSA-N 2 1 346.475 2.287 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591384 683061130 /nfs/dbraw/zinc/06/11/30/683061130.db2.gz BCAUKNSAUALRNC-FXAWDEMLSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000983900113 683740311 /nfs/dbraw/zinc/74/03/11/683740311.db2.gz FCMBTYBYQIVLJW-PWKSQPCKSA-N 2 1 345.531 2.395 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000983900113 683740320 /nfs/dbraw/zinc/74/03/20/683740320.db2.gz FCMBTYBYQIVLJW-PWKSQPCKSA-N 2 1 345.531 2.395 20 30 EEEDMP C[C@@H](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[NH+](C)C ZINC000895291717 684451246 /nfs/dbraw/zinc/45/12/46/684451246.db2.gz BVORRDGWAGZAIH-HNNXBMFYSA-N 2 1 326.448 2.289 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C(C)(C)C1 ZINC000974598898 685113962 /nfs/dbraw/zinc/11/39/62/685113962.db2.gz KRIRMIGYLIMWJJ-DLBZAZTESA-N 2 1 345.491 2.193 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680164 693950633 /nfs/dbraw/zinc/95/06/33/693950633.db2.gz BEBCBQKNOHVUJQ-OAHLLOKOSA-N 2 1 346.500 2.138 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975067303 686094580 /nfs/dbraw/zinc/09/45/80/686094580.db2.gz XEIKNKWSVZLQEK-LJQANCHMSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000979085888 694168200 /nfs/dbraw/zinc/16/82/00/694168200.db2.gz GOVWJQBDQGQUFM-NNZMDNLPSA-N 2 1 347.890 2.408 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027446889 692113528 /nfs/dbraw/zinc/11/35/28/692113528.db2.gz WOEBIYPCVOEHRG-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027446889 692113531 /nfs/dbraw/zinc/11/35/31/692113531.db2.gz WOEBIYPCVOEHRG-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027446889 692113533 /nfs/dbraw/zinc/11/35/33/692113533.db2.gz WOEBIYPCVOEHRG-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027446889 692113536 /nfs/dbraw/zinc/11/35/36/692113536.db2.gz WOEBIYPCVOEHRG-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001089885600 1192684929 /nfs/dbraw/zinc/68/49/29/1192684929.db2.gz IAKGZLMEPBJYEU-NMLBUPMWSA-N 2 1 345.531 2.462 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001088382294 1186754647 /nfs/dbraw/zinc/75/46/47/1186754647.db2.gz YMPWNRLCYYXVLN-ZBFHGGJFSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CCOCc1nn(C)c2c1C[N@@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168322817 1188291970 /nfs/dbraw/zinc/29/19/70/1188291970.db2.gz XJSYPBHVUIZWHV-UHFFFAOYSA-N 2 1 332.492 2.354 20 30 EEEDMP N#CCCCN1CC[C@@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272672181 1191013079 /nfs/dbraw/zinc/01/30/79/1191013079.db2.gz FSENSJFYENUSPU-LJQANCHMSA-N 2 1 337.427 2.291 20 30 EEEDMP N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272672181 1191013081 /nfs/dbraw/zinc/01/30/81/1191013081.db2.gz FSENSJFYENUSPU-LJQANCHMSA-N 2 1 337.427 2.291 20 30 EEEDMP C#CCN[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1CC ZINC001484325060 1191305695 /nfs/dbraw/zinc/30/56/95/1191305695.db2.gz XOPDXMVQUPATDL-MOPGFXCFSA-N 2 1 327.472 2.113 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001486481178 1193995794 /nfs/dbraw/zinc/99/57/94/1193995794.db2.gz CHUSRNDHXDQTFB-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001005416723 1195416449 /nfs/dbraw/zinc/41/64/49/1195416449.db2.gz YCJWACUYTVOWSL-JKSUJKDBSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001005416723 1195416445 /nfs/dbraw/zinc/41/64/45/1195416445.db2.gz YCJWACUYTVOWSL-JKSUJKDBSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001034613347 1196436448 /nfs/dbraw/zinc/43/64/48/1196436448.db2.gz ZUZFWYQUKRZVCT-MGPQQGTHSA-N 2 1 344.297 2.006 20 30 EEEDMP CCC1(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)COC1 ZINC001275187958 1205278487 /nfs/dbraw/zinc/27/84/87/1205278487.db2.gz GTMXAHUNEHUQPE-UHFFFAOYSA-N 2 1 342.487 2.221 20 30 EEEDMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001275829350 1205554447 /nfs/dbraw/zinc/55/44/47/1205554447.db2.gz XIRQWOVTUGVPPO-BGYRXZFFSA-N 2 1 343.471 2.323 20 30 EEEDMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001275829350 1205554448 /nfs/dbraw/zinc/55/44/48/1205554448.db2.gz XIRQWOVTUGVPPO-BGYRXZFFSA-N 2 1 343.471 2.323 20 30 EEEDMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001275829350 1205554450 /nfs/dbraw/zinc/55/44/50/1205554450.db2.gz XIRQWOVTUGVPPO-BGYRXZFFSA-N 2 1 343.471 2.323 20 30 EEEDMP C#Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](COCCOC)CC[C@@H]3C2)c1 ZINC001276096321 1205779577 /nfs/dbraw/zinc/77/95/77/1205779577.db2.gz GTBQVQJOMDAYFP-OYRHEFFESA-N 2 1 342.483 2.432 20 30 EEEDMP C#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](COCCOC)CC[C@@H]3C2)c1 ZINC001276096321 1205779578 /nfs/dbraw/zinc/77/95/78/1205779578.db2.gz GTBQVQJOMDAYFP-OYRHEFFESA-N 2 1 342.483 2.432 20 30 EEEDMP C#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](COCCOC)CC[C@@H]3C2)c1 ZINC001276096321 1205779579 /nfs/dbraw/zinc/77/95/79/1205779579.db2.gz GTBQVQJOMDAYFP-OYRHEFFESA-N 2 1 342.483 2.432 20 30 EEEDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1CC#N ZINC001276242988 1205851296 /nfs/dbraw/zinc/85/12/96/1205851296.db2.gz ZXCLYSLWPOWHKC-IHWFROFDSA-N 2 1 326.488 2.399 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001095556320 1205873215 /nfs/dbraw/zinc/87/32/15/1205873215.db2.gz LEEXXTGVBNHPAJ-FYQPLNBISA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C(C)C ZINC000932384349 1207594956 /nfs/dbraw/zinc/59/49/56/1207594956.db2.gz PTQMCXGEILYWQW-UHFFFAOYSA-N 2 1 342.487 2.111 20 30 EEEDMP C#CC[N@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C(C)C ZINC000932384349 1207594958 /nfs/dbraw/zinc/59/49/58/1207594958.db2.gz PTQMCXGEILYWQW-UHFFFAOYSA-N 2 1 342.487 2.111 20 30 EEEDMP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001111268785 1208519253 /nfs/dbraw/zinc/51/92/53/1208519253.db2.gz BBDJLMQAFHFFKL-AKHDSKFASA-N 2 1 325.456 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947858082 1208749307 /nfs/dbraw/zinc/74/93/07/1208749307.db2.gz WSNCRRYZCXGZNB-WBVHZDCISA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947858082 1208749310 /nfs/dbraw/zinc/74/93/10/1208749310.db2.gz WSNCRRYZCXGZNB-WBVHZDCISA-N 2 1 339.443 2.426 20 30 EEEDMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC#Cc1ccccc1 ZINC000948039476 1208834426 /nfs/dbraw/zinc/83/44/26/1208834426.db2.gz HMPXZDDDNBDQHK-AZUAARDMSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(=C)C)[C@H](C)C2)CC1 ZINC000948070698 1208854328 /nfs/dbraw/zinc/85/43/28/1208854328.db2.gz RHDXROGRYHQFOZ-IEBWSBKVSA-N 2 1 331.504 2.267 20 30 EEEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948983265 1209488435 /nfs/dbraw/zinc/48/84/35/1209488435.db2.gz XTDCUPUQDVCAOZ-IBGZPJMESA-N 2 1 339.483 2.374 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CCCCC2)C1 ZINC000950534062 1210264857 /nfs/dbraw/zinc/26/48/57/1210264857.db2.gz PVSPUUGFCHYSHT-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CCCCC2)C1 ZINC000950534062 1210264859 /nfs/dbraw/zinc/26/48/59/1210264859.db2.gz PVSPUUGFCHYSHT-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733725 1225605757 /nfs/dbraw/zinc/60/57/57/1225605757.db2.gz VODBQYHJSQVURX-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733725 1225605760 /nfs/dbraw/zinc/60/57/60/1225605760.db2.gz VODBQYHJSQVURX-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733725 1225605764 /nfs/dbraw/zinc/60/57/64/1225605764.db2.gz VODBQYHJSQVURX-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961029015 1217014267 /nfs/dbraw/zinc/01/42/67/1217014267.db2.gz PRIPUTAFVPLLCG-HNNXBMFYSA-N 2 1 346.500 2.138 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180486 1217073552 /nfs/dbraw/zinc/07/35/52/1217073552.db2.gz HKESATFYSWNGAI-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000961206834 1217089489 /nfs/dbraw/zinc/08/94/89/1217089489.db2.gz XTLYDHNZUXWOON-JKSUJKDBSA-N 2 1 346.475 2.096 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000961206834 1217089490 /nfs/dbraw/zinc/08/94/90/1217089490.db2.gz XTLYDHNZUXWOON-JKSUJKDBSA-N 2 1 346.475 2.096 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961372440 1217162464 /nfs/dbraw/zinc/16/24/64/1217162464.db2.gz DLYXHZIOQHTAGM-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961372440 1217162465 /nfs/dbraw/zinc/16/24/65/1217162465.db2.gz DLYXHZIOQHTAGM-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961372440 1217162466 /nfs/dbraw/zinc/16/24/66/1217162466.db2.gz DLYXHZIOQHTAGM-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315509 1217507880 /nfs/dbraw/zinc/50/78/80/1217507880.db2.gz UTEXWVYXXLCXHZ-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328375 1217523538 /nfs/dbraw/zinc/52/35/38/1217523538.db2.gz OFLMBJSYNKITAT-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963368403 1217565386 /nfs/dbraw/zinc/56/53/86/1217565386.db2.gz WFWOVJDAPGKKNN-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000963902518 1218114722 /nfs/dbraw/zinc/11/47/22/1218114722.db2.gz KPEMDZPNMKTEME-GTPINHCMSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000965063093 1218867251 /nfs/dbraw/zinc/86/72/51/1218867251.db2.gz JVGJJKFGJFZLLL-VPCQXRJPSA-N 2 1 325.884 2.098 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000968851250 1221621770 /nfs/dbraw/zinc/62/17/70/1221621770.db2.gz PRDLUKYRXRXGBT-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913638 1221665002 /nfs/dbraw/zinc/66/50/02/1221665002.db2.gz IKJXWBILDHBOBL-SFHVURJKSA-N 2 1 331.504 2.247 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007347048 1222184808 /nfs/dbraw/zinc/18/48/08/1222184808.db2.gz XRLOMSDMMANBTL-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007347048 1222184811 /nfs/dbraw/zinc/18/48/11/1222184811.db2.gz XRLOMSDMMANBTL-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007347048 1222184813 /nfs/dbraw/zinc/18/48/13/1222184813.db2.gz XRLOMSDMMANBTL-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007347048 1222184815 /nfs/dbraw/zinc/18/48/15/1222184815.db2.gz XRLOMSDMMANBTL-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016702182 1226797444 /nfs/dbraw/zinc/79/74/44/1226797444.db2.gz LUOIMMKNCQZSGW-MSOLQXFVSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001016826301 1226907654 /nfs/dbraw/zinc/90/76/54/1226907654.db2.gz ORXMDRGNPHUOHN-HIFRSBDPSA-N 2 1 325.884 2.051 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001020173719 1229531797 /nfs/dbraw/zinc/53/17/97/1229531797.db2.gz BJSGZQRIXMNPBJ-CADBVGFASA-N 2 1 340.471 2.025 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CCC=C)C2)CC1 ZINC001039134844 1230346503 /nfs/dbraw/zinc/34/65/03/1230346503.db2.gz VTUXBVSJYJXFAS-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CCC=C)C2)CC1 ZINC001039134844 1230346505 /nfs/dbraw/zinc/34/65/05/1230346505.db2.gz VTUXBVSJYJXFAS-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CCC=C)C2)CC1 ZINC001039134844 1230346509 /nfs/dbraw/zinc/34/65/09/1230346509.db2.gz VTUXBVSJYJXFAS-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CCC=C)C2)CC1 ZINC001039134844 1230346512 /nfs/dbraw/zinc/34/65/12/1230346512.db2.gz VTUXBVSJYJXFAS-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001039152408 1230371579 /nfs/dbraw/zinc/37/15/79/1230371579.db2.gz YTTKCCSFJCWUMH-UXHICEINSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039152408 1230371583 /nfs/dbraw/zinc/37/15/83/1230371583.db2.gz YTTKCCSFJCWUMH-UXHICEINSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039152408 1230371587 /nfs/dbraw/zinc/37/15/87/1230371587.db2.gz YTTKCCSFJCWUMH-UXHICEINSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039447795 1230615735 /nfs/dbraw/zinc/61/57/35/1230615735.db2.gz KFSSDJIXILHMEO-QRVBRYPASA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347366 1231181053 /nfs/dbraw/zinc/18/10/53/1231181053.db2.gz KAIMKOUDGQDPTJ-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347366 1231181056 /nfs/dbraw/zinc/18/10/56/1231181056.db2.gz KAIMKOUDGQDPTJ-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347366 1231181060 /nfs/dbraw/zinc/18/10/60/1231181060.db2.gz KAIMKOUDGQDPTJ-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001040394894 1231205728 /nfs/dbraw/zinc/20/57/28/1231205728.db2.gz MEWNFUKVYYPXSP-MAUKXSAKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040394894 1231205730 /nfs/dbraw/zinc/20/57/30/1231205730.db2.gz MEWNFUKVYYPXSP-MAUKXSAKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040394894 1231205732 /nfs/dbraw/zinc/20/57/32/1231205732.db2.gz MEWNFUKVYYPXSP-MAUKXSAKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040394894 1231205733 /nfs/dbraw/zinc/20/57/33/1231205733.db2.gz MEWNFUKVYYPXSP-MAUKXSAKSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040702276 1231340997 /nfs/dbraw/zinc/34/09/97/1231340997.db2.gz TXDXCSDORMLZMH-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041420889 1231539453 /nfs/dbraw/zinc/53/94/53/1231539453.db2.gz DLOBGVXWVFILMV-HXUWFJFHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041420889 1231539456 /nfs/dbraw/zinc/53/94/56/1231539456.db2.gz DLOBGVXWVFILMV-HXUWFJFHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041420889 1231539457 /nfs/dbraw/zinc/53/94/57/1231539457.db2.gz DLOBGVXWVFILMV-HXUWFJFHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041591141 1231613350 /nfs/dbraw/zinc/61/33/50/1231613350.db2.gz WHUQFIIFBYBJLD-FPOVZHCZSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591141 1231613351 /nfs/dbraw/zinc/61/33/51/1231613351.db2.gz WHUQFIIFBYBJLD-FPOVZHCZSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591141 1231613352 /nfs/dbraw/zinc/61/33/52/1231613352.db2.gz WHUQFIIFBYBJLD-FPOVZHCZSA-N 2 1 343.515 2.341 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041843272 1231727288 /nfs/dbraw/zinc/72/72/88/1231727288.db2.gz NTIGMKWAFDEQAY-FQEVSTJZSA-N 2 1 327.472 2.472 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042305648 1232018469 /nfs/dbraw/zinc/01/84/69/1232018469.db2.gz BYNBCPUKDCFUPM-QUCCMNQESA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](C/C=C/Cl)[C@@H]3C2)CC1 ZINC001042367588 1232049621 /nfs/dbraw/zinc/04/96/21/1232049621.db2.gz IICQWIFFDCKTIC-AJMGZJKCSA-N 2 1 349.906 2.007 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001045639950 1233876541 /nfs/dbraw/zinc/87/65/41/1233876541.db2.gz VYTSABZVILRWOL-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCC=C)C2)C1 ZINC001045943993 1234203288 /nfs/dbraw/zinc/20/32/88/1234203288.db2.gz UIKAWHGQXRCAMC-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCC=C)C2)C1 ZINC001045943993 1234203291 /nfs/dbraw/zinc/20/32/91/1234203291.db2.gz UIKAWHGQXRCAMC-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCC=C)C2)C1 ZINC001045943993 1234203294 /nfs/dbraw/zinc/20/32/94/1234203294.db2.gz UIKAWHGQXRCAMC-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCC=C)C2)C1 ZINC001045943993 1234203297 /nfs/dbraw/zinc/20/32/97/1234203297.db2.gz UIKAWHGQXRCAMC-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943949 1234203764 /nfs/dbraw/zinc/20/37/64/1234203764.db2.gz RZHJDRYVZATIDF-LJQANCHMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047244545 1235736447 /nfs/dbraw/zinc/73/64/47/1235736447.db2.gz SISYYHSBGUWVAX-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047255815 1235758928 /nfs/dbraw/zinc/75/89/28/1235758928.db2.gz DONYQDCQAQYGOM-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001048626015 1238135635 /nfs/dbraw/zinc/13/56/35/1238135635.db2.gz UYLPISLRIKFDAO-IBGZPJMESA-N 2 1 342.487 2.155 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(CC)CC)C[C@@H]3C2)CC1 ZINC001049234923 1240339663 /nfs/dbraw/zinc/33/96/63/1240339663.db2.gz JPCFVFAXHOAGKG-BGYRXZFFSA-N 2 1 345.531 2.158 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477885 1241072475 /nfs/dbraw/zinc/07/24/75/1241072475.db2.gz JUJDVRSYGYVPMW-ZWKOTPCHSA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049524076 1241240381 /nfs/dbraw/zinc/24/03/81/1241240381.db2.gz JAFBCWVPVJUNKH-BRWVUGGUSA-N 2 1 328.460 2.402 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049524076 1241240390 /nfs/dbraw/zinc/24/03/90/1241240390.db2.gz JAFBCWVPVJUNKH-BRWVUGGUSA-N 2 1 328.460 2.402 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560561 1241420866 /nfs/dbraw/zinc/42/08/66/1241420866.db2.gz FCIKVOPRBVUELV-RTBURBONSA-N 2 1 336.439 2.345 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846492 1242403530 /nfs/dbraw/zinc/40/35/30/1242403530.db2.gz IVKVSNIEHISRBG-ZWKOTPCHSA-N 2 1 328.460 2.403 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846492 1242403536 /nfs/dbraw/zinc/40/35/36/1242403536.db2.gz IVKVSNIEHISRBG-ZWKOTPCHSA-N 2 1 328.460 2.403 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3C[C@H](F)CC)CC1 ZINC001049909740 1242658470 /nfs/dbraw/zinc/65/84/70/1242658470.db2.gz CDLJDCKLLAZETG-QRVBRYPASA-N 2 1 349.494 2.145 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049915194 1242687645 /nfs/dbraw/zinc/68/76/45/1242687645.db2.gz UFHFLDXZGWZUBP-AQNXPRMDSA-N 2 1 339.483 2.378 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049915194 1242687654 /nfs/dbraw/zinc/68/76/54/1242687654.db2.gz UFHFLDXZGWZUBP-AQNXPRMDSA-N 2 1 339.483 2.378 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050067065 1242767497 /nfs/dbraw/zinc/76/74/97/1242767497.db2.gz MWQIWFWVBCYCIS-GVDBMIGSSA-N 2 1 328.460 2.259 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050067065 1242767507 /nfs/dbraw/zinc/76/75/07/1242767507.db2.gz MWQIWFWVBCYCIS-GVDBMIGSSA-N 2 1 328.460 2.259 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141636 1242969626 /nfs/dbraw/zinc/96/96/26/1242969626.db2.gz VICROBLVXOLEDP-QKLQHJQFSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141636 1242969636 /nfs/dbraw/zinc/96/96/36/1242969636.db2.gz VICROBLVXOLEDP-QKLQHJQFSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141636 1242969641 /nfs/dbraw/zinc/96/96/41/1242969641.db2.gz VICROBLVXOLEDP-QKLQHJQFSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050551532 1243831902 /nfs/dbraw/zinc/83/19/02/1243831902.db2.gz YWFYRMVXKYXWNE-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050551532 1243831911 /nfs/dbraw/zinc/83/19/11/1243831911.db2.gz YWFYRMVXKYXWNE-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712099 1244810726 /nfs/dbraw/zinc/81/07/26/1244810726.db2.gz FHIGBPNNJQWXOW-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712099 1244810732 /nfs/dbraw/zinc/81/07/32/1244810732.db2.gz FHIGBPNNJQWXOW-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054214 1245783182 /nfs/dbraw/zinc/78/31/82/1245783182.db2.gz JEFSVSDYWCQCQR-OALUTQOASA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054214 1245783186 /nfs/dbraw/zinc/78/31/86/1245783186.db2.gz JEFSVSDYWCQCQR-OALUTQOASA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001101597412 1246006634 /nfs/dbraw/zinc/00/66/34/1246006634.db2.gz JPTBZWQPIVCQKR-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)O2 ZINC001053651732 1246592251 /nfs/dbraw/zinc/59/22/51/1246592251.db2.gz KDBYTQAGJZUOJN-BZSNNMDCSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145040 1247516990 /nfs/dbraw/zinc/51/69/90/1247516990.db2.gz INJQHCFYDOUGKH-QFBILLFUSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145040 1247516996 /nfs/dbraw/zinc/51/69/96/1247516996.db2.gz INJQHCFYDOUGKH-QFBILLFUSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054154908 1247548756 /nfs/dbraw/zinc/54/87/56/1247548756.db2.gz YGJYQTQSZRFIQD-FQEVSTJZSA-N 2 1 343.515 2.200 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054185328 1247650129 /nfs/dbraw/zinc/65/01/29/1247650129.db2.gz YXPXSWFJZBNDLV-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054185328 1247650144 /nfs/dbraw/zinc/65/01/44/1247650144.db2.gz YXPXSWFJZBNDLV-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054185328 1247650151 /nfs/dbraw/zinc/65/01/51/1247650151.db2.gz YXPXSWFJZBNDLV-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099666 1254930646 /nfs/dbraw/zinc/93/06/46/1254930646.db2.gz VJQJIFHYCRQFDM-WMZOPIPTSA-N 2 1 327.472 2.354 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001072847733 1255428993 /nfs/dbraw/zinc/42/89/93/1255428993.db2.gz YCLJOFBMOARWNI-UHFFFAOYSA-N 2 1 337.895 2.149 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001072847733 1255428995 /nfs/dbraw/zinc/42/89/95/1255428995.db2.gz YCLJOFBMOARWNI-UHFFFAOYSA-N 2 1 337.895 2.149 20 30 EEEDMP C=C(Cl)CN1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001072849328 1255431105 /nfs/dbraw/zinc/43/11/05/1255431105.db2.gz ACSOZNAEIYSYJK-HOTGVXAUSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001072849328 1255431111 /nfs/dbraw/zinc/43/11/11/1255431111.db2.gz ACSOZNAEIYSYJK-HOTGVXAUSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001072849328 1255431113 /nfs/dbraw/zinc/43/11/13/1255431113.db2.gz ACSOZNAEIYSYJK-HOTGVXAUSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC001072849328 1255431114 /nfs/dbraw/zinc/43/11/14/1255431114.db2.gz ACSOZNAEIYSYJK-HOTGVXAUSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001072849328 1255431118 /nfs/dbraw/zinc/43/11/18/1255431118.db2.gz ACSOZNAEIYSYJK-HOTGVXAUSA-N 2 1 337.895 2.290 20 30 EEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001201037483 1287266524 /nfs/dbraw/zinc/26/65/24/1287266524.db2.gz JVWUWAAJBPTMCC-LJQANCHMSA-N 2 1 349.519 2.177 20 30 EEEDMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)C1 ZINC001192163121 1281830873 /nfs/dbraw/zinc/83/08/73/1281830873.db2.gz UILMAKZLPRSTSU-SFHVURJKSA-N 2 1 347.890 2.176 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CCCO1 ZINC001201560177 1289667740 /nfs/dbraw/zinc/66/77/40/1289667740.db2.gz YXSDMQMTPXKJLA-KRWDZBQOSA-N 2 1 348.491 2.180 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702453 1294756320 /nfs/dbraw/zinc/75/63/20/1294756320.db2.gz ZTJFOSWCDLEDAA-MJGOQNOKSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC/C=C\CC)C[C@H]2C)CC1 ZINC001211307334 1295810870 /nfs/dbraw/zinc/81/08/70/1295810870.db2.gz UENPINICLLRUHH-LJJUJYJISA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C/CCC)C1 ZINC001214880916 1296634504 /nfs/dbraw/zinc/63/45/04/1296634504.db2.gz YTEYBXGYDSDCFK-JMKDSLFWSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C/CCC)C1 ZINC001214880916 1296634520 /nfs/dbraw/zinc/63/45/20/1296634520.db2.gz YTEYBXGYDSDCFK-JMKDSLFWSA-N 2 1 331.504 2.267 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001215003485 1296687733 /nfs/dbraw/zinc/68/77/33/1296687733.db2.gz FUWFQABWTLXGGK-CRAIPNDOSA-N 2 1 342.487 2.225 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599701 1297294265 /nfs/dbraw/zinc/29/42/65/1297294265.db2.gz LHTPOVCFKLBTFQ-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599701 1297294272 /nfs/dbraw/zinc/29/42/72/1297294272.db2.gz LHTPOVCFKLBTFQ-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599701 1297294281 /nfs/dbraw/zinc/29/42/81/1297294281.db2.gz LHTPOVCFKLBTFQ-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539234 1299198476 /nfs/dbraw/zinc/19/84/76/1299198476.db2.gz ZOMOCZBEPDHLFA-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]21 ZINC001223192058 1300006888 /nfs/dbraw/zinc/00/68/88/1300006888.db2.gz CCVCEJCDYTZPAX-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@H]21 ZINC001223192058 1300006908 /nfs/dbraw/zinc/00/69/08/1300006908.db2.gz CCVCEJCDYTZPAX-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@H]21 ZINC001223192058 1300006910 /nfs/dbraw/zinc/00/69/10/1300006910.db2.gz CCVCEJCDYTZPAX-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCN1CCC[C@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001224857008 1300760009 /nfs/dbraw/zinc/76/00/09/1300760009.db2.gz FWSYFKJRGAPKDP-KSZLIROESA-N 2 1 348.535 2.140 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001224857008 1300760015 /nfs/dbraw/zinc/76/00/15/1300760015.db2.gz FWSYFKJRGAPKDP-KSZLIROESA-N 2 1 348.535 2.140 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001224857008 1300760016 /nfs/dbraw/zinc/76/00/16/1300760016.db2.gz FWSYFKJRGAPKDP-KSZLIROESA-N 2 1 348.535 2.140 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001224857008 1300760022 /nfs/dbraw/zinc/76/00/22/1300760022.db2.gz FWSYFKJRGAPKDP-KSZLIROESA-N 2 1 348.535 2.140 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001224857008 1300760030 /nfs/dbraw/zinc/76/00/30/1300760030.db2.gz FWSYFKJRGAPKDP-KSZLIROESA-N 2 1 348.535 2.140 20 30 EEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001227454006 1301835336 /nfs/dbraw/zinc/83/53/36/1301835336.db2.gz LPCJXYKLEHLFNI-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001228215775 1302159994 /nfs/dbraw/zinc/15/99/94/1302159994.db2.gz KAXGNUVDBDOKAO-KBAYOESNSA-N 2 1 330.476 2.347 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001228827665 1302470401 /nfs/dbraw/zinc/47/04/01/1302470401.db2.gz XGDWWHBYCWWJAH-FUHWJXTLSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001228827665 1302470413 /nfs/dbraw/zinc/47/04/13/1302470413.db2.gz XGDWWHBYCWWJAH-FUHWJXTLSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)[C@@H](C1CC1)[NH+](C)C)Cc1cccnc1 ZINC001230778634 1303451290 /nfs/dbraw/zinc/45/12/90/1303451290.db2.gz UTRIDYXISKVIQX-LJQANCHMSA-N 2 1 344.503 2.306 20 30 EEEDMP C=CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1cccnc1 ZINC001230824693 1303485157 /nfs/dbraw/zinc/48/51/57/1303485157.db2.gz MISYNPARYPITKH-HKUYNNGSSA-N 2 1 344.503 2.306 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cccnc1 ZINC001230824693 1303485162 /nfs/dbraw/zinc/48/51/62/1303485162.db2.gz MISYNPARYPITKH-HKUYNNGSSA-N 2 1 344.503 2.306 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cccnc1 ZINC001230824693 1303485166 /nfs/dbraw/zinc/48/51/66/1303485166.db2.gz MISYNPARYPITKH-HKUYNNGSSA-N 2 1 344.503 2.306 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)C[NH+](CC)CC)Cc1cccnc1 ZINC001230871751 1303515377 /nfs/dbraw/zinc/51/53/77/1303515377.db2.gz QNTHSFWKEDBFBN-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112206166 1304330466 /nfs/dbraw/zinc/33/04/66/1304330466.db2.gz KKSWGZVUGXNBRR-ZIAGYGMSSA-N 2 1 344.381 2.137 20 30 EEEDMP CC(=O)[C@H](C)[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001277888353 1305021786 /nfs/dbraw/zinc/02/17/86/1305021786.db2.gz IBWLFHIWMDDMBH-KYNGSXCRSA-N 2 1 328.460 2.399 20 30 EEEDMP C=CCCCC[N@H+]1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001235274842 1305173865 /nfs/dbraw/zinc/17/38/65/1305173865.db2.gz PPCVQYIUIZZBFH-HUUCEWRRSA-N 2 1 334.382 2.360 20 30 EEEDMP C=CCCCC[N@@H+]1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001235274842 1305173868 /nfs/dbraw/zinc/17/38/68/1305173868.db2.gz PPCVQYIUIZZBFH-HUUCEWRRSA-N 2 1 334.382 2.360 20 30 EEEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177522 1305177334 /nfs/dbraw/zinc/17/73/34/1305177334.db2.gz TWLOSVNGQPIENA-SJLPKXTDSA-N 2 1 334.508 2.237 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001121289604 1309969793 /nfs/dbraw/zinc/96/97/93/1309969793.db2.gz ZLRUJJJPFPSDMD-INFDXNDLSA-N 2 1 329.488 2.044 20 30 EEEDMP COC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001246399963 1310299745 /nfs/dbraw/zinc/29/97/45/1310299745.db2.gz CFQONFLWQPQTCR-HFCFLWKCSA-N 2 1 329.444 2.261 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001157887345 1318917810 /nfs/dbraw/zinc/91/78/10/1318917810.db2.gz SQJRRTUEIQZTAG-LJQANCHMSA-N 2 1 327.472 2.007 20 30 EEEDMP C=C(C)C(=O)NCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258134855 1319184099 /nfs/dbraw/zinc/18/40/99/1319184099.db2.gz UXQBUUFNMNXDEM-UHFFFAOYSA-N 2 1 329.488 2.366 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001158405249 1319223360 /nfs/dbraw/zinc/22/33/60/1319223360.db2.gz OXEWOOYKTJTRJH-IEBWSBKVSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001158405249 1319223367 /nfs/dbraw/zinc/22/33/67/1319223367.db2.gz OXEWOOYKTJTRJH-IEBWSBKVSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001158405249 1319223374 /nfs/dbraw/zinc/22/33/74/1319223374.db2.gz OXEWOOYKTJTRJH-IEBWSBKVSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001160198119 1320096849 /nfs/dbraw/zinc/09/68/49/1320096849.db2.gz SPGRVYCZBVDAMK-MJGOQNOKSA-N 2 1 327.472 2.250 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001160198119 1320096854 /nfs/dbraw/zinc/09/68/54/1320096854.db2.gz SPGRVYCZBVDAMK-MJGOQNOKSA-N 2 1 327.472 2.250 20 30 EEEDMP C[Si](C)(C)C#Cc1ccnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c1 ZINC001160519545 1320182946 /nfs/dbraw/zinc/18/29/46/1320182946.db2.gz NIWVCQMTGPXMTR-SFHVURJKSA-N 2 1 328.536 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161207525 1320420548 /nfs/dbraw/zinc/42/05/48/1320420548.db2.gz VICFPJKBTQLOLD-CJNGLKHVSA-N 2 1 325.884 2.075 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161207525 1320420549 /nfs/dbraw/zinc/42/05/49/1320420549.db2.gz VICFPJKBTQLOLD-CJNGLKHVSA-N 2 1 325.884 2.075 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207525 1320420552 /nfs/dbraw/zinc/42/05/52/1320420552.db2.gz VICFPJKBTQLOLD-CJNGLKHVSA-N 2 1 325.884 2.075 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207525 1320420555 /nfs/dbraw/zinc/42/05/55/1320420555.db2.gz VICFPJKBTQLOLD-CJNGLKHVSA-N 2 1 325.884 2.075 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879611 1320658246 /nfs/dbraw/zinc/65/82/46/1320658246.db2.gz QOQQTOFGXVBOGQ-SFHVURJKSA-N 2 1 349.519 2.059 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001161908566 1320672500 /nfs/dbraw/zinc/67/25/00/1320672500.db2.gz OJSRYUYACQYRAB-IEBWSBKVSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161908566 1320672503 /nfs/dbraw/zinc/67/25/03/1320672503.db2.gz OJSRYUYACQYRAB-IEBWSBKVSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161908566 1320672505 /nfs/dbraw/zinc/67/25/05/1320672505.db2.gz OJSRYUYACQYRAB-IEBWSBKVSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161908566 1320672511 /nfs/dbraw/zinc/67/25/11/1320672511.db2.gz OJSRYUYACQYRAB-IEBWSBKVSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001161908565 1320672694 /nfs/dbraw/zinc/67/26/94/1320672694.db2.gz OJSRYUYACQYRAB-HKUYNNGSSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161908565 1320672697 /nfs/dbraw/zinc/67/26/97/1320672697.db2.gz OJSRYUYACQYRAB-HKUYNNGSSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161908565 1320672702 /nfs/dbraw/zinc/67/27/02/1320672702.db2.gz OJSRYUYACQYRAB-HKUYNNGSSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161908565 1320672706 /nfs/dbraw/zinc/67/27/06/1320672706.db2.gz OJSRYUYACQYRAB-HKUYNNGSSA-N 2 1 349.519 2.200 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001162928513 1320990256 /nfs/dbraw/zinc/99/02/56/1320990256.db2.gz JSVYKFMZAHPBBO-LJQANCHMSA-N 2 1 341.499 2.155 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001162982969 1321004576 /nfs/dbraw/zinc/00/45/76/1321004576.db2.gz SXFIXJRPEZUFJH-HXUWFJFHSA-N 2 1 341.499 2.012 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164514858 1321403648 /nfs/dbraw/zinc/40/36/48/1321403648.db2.gz UNYDJAIWYCAGJN-HNNXBMFYSA-N 2 1 327.900 2.488 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1)CC(C)(C)C ZINC001166744114 1321779332 /nfs/dbraw/zinc/77/93/32/1321779332.db2.gz IEVWSAWXFRDYES-UHFFFAOYSA-N 2 1 348.466 2.271 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001203924816 1321990749 /nfs/dbraw/zinc/99/07/49/1321990749.db2.gz GMCOSAXEKAWSPK-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C#N)c(Cl)c1)C2 ZINC001276435980 1322019229 /nfs/dbraw/zinc/01/92/29/1322019229.db2.gz HZUCVEBCQWIGJF-WBVHZDCISA-N 2 1 332.879 2.279 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001205585612 1323206174 /nfs/dbraw/zinc/20/61/74/1323206174.db2.gz IVURVQMNCYNVTM-UHFFFAOYSA-N 2 1 333.520 2.491 20 30 EEEDMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC001353237530 1338221246 /nfs/dbraw/zinc/22/12/46/1338221246.db2.gz BADRQDMYZDTHBS-KRWDZBQOSA-N 2 1 342.443 2.102 20 30 EEEDMP C[NH+]=C(NCCC[N@H+]1CCc2ccccc2C1)NCc1ccco1 ZINC000849044330 1338831817 /nfs/dbraw/zinc/83/18/17/1338831817.db2.gz HSVGXUOUJQCBNS-UHFFFAOYSA-N 2 1 326.444 2.393 20 30 EEEDMP C=CCOCC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900779 1368574253 /nfs/dbraw/zinc/57/42/53/1368574253.db2.gz REUXKFSFVFUMMX-QGZVFWFLSA-N 2 1 348.491 2.134 20 30 EEEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900779 1368574259 /nfs/dbraw/zinc/57/42/59/1368574259.db2.gz REUXKFSFVFUMMX-QGZVFWFLSA-N 2 1 348.491 2.134 20 30 EEEDMP C=CCn1c([C@@H]2CCCN2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001121682220 1371913191 /nfs/dbraw/zinc/91/31/91/1371913191.db2.gz NVJGTQDFQSFBHR-IRXDYDNUSA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001121682220 1371913194 /nfs/dbraw/zinc/91/31/94/1371913194.db2.gz NVJGTQDFQSFBHR-IRXDYDNUSA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001121682220 1371913197 /nfs/dbraw/zinc/91/31/97/1371913197.db2.gz NVJGTQDFQSFBHR-IRXDYDNUSA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001121682220 1371913200 /nfs/dbraw/zinc/91/32/00/1371913200.db2.gz NVJGTQDFQSFBHR-IRXDYDNUSA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001121682220 1371913202 /nfs/dbraw/zinc/91/32/02/1371913202.db2.gz NVJGTQDFQSFBHR-IRXDYDNUSA-N 2 1 346.523 2.399 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000838623855 1372857375 /nfs/dbraw/zinc/85/73/75/1372857375.db2.gz SBSOWBKROIKYDC-UHFFFAOYSA-N 2 1 344.503 2.151 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000838623855 1372857379 /nfs/dbraw/zinc/85/73/79/1372857379.db2.gz SBSOWBKROIKYDC-UHFFFAOYSA-N 2 1 344.503 2.151 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000838623855 1372857384 /nfs/dbraw/zinc/85/73/84/1372857384.db2.gz SBSOWBKROIKYDC-UHFFFAOYSA-N 2 1 344.503 2.151 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001376419705 1378537548 /nfs/dbraw/zinc/53/75/48/1378537548.db2.gz UULAVXJQUVBUCC-XHSDSOJGSA-N 2 1 327.900 2.250 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001392013539 1389769893 /nfs/dbraw/zinc/76/98/93/1389769893.db2.gz BQNXFHHAKGUEGY-MRXNPFEDSA-N 2 1 346.500 2.233 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001392183927 1389873225 /nfs/dbraw/zinc/87/32/25/1389873225.db2.gz SMMQVJRXMCWHMH-QFBILLFUSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001401153840 1396990347 /nfs/dbraw/zinc/99/03/47/1396990347.db2.gz MMHBJCGPFNREDU-VQIMIIECSA-N 2 1 342.487 2.275 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC=C ZINC001754865670 1406970924 /nfs/dbraw/zinc/97/09/24/1406970924.db2.gz PAUYSKMZOBMJNS-QRVBRYPASA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC=C ZINC001754865670 1406970929 /nfs/dbraw/zinc/97/09/29/1406970929.db2.gz PAUYSKMZOBMJNS-QRVBRYPASA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC=C ZINC001754865670 1406970933 /nfs/dbraw/zinc/97/09/33/1406970933.db2.gz PAUYSKMZOBMJNS-QRVBRYPASA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC=C ZINC001754865670 1406970936 /nfs/dbraw/zinc/97/09/36/1406970936.db2.gz PAUYSKMZOBMJNS-QRVBRYPASA-N 2 1 329.488 2.116 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001423423963 1400574548 /nfs/dbraw/zinc/57/45/48/1400574548.db2.gz ZWMPVQGDJOEUOM-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001423423963 1400574550 /nfs/dbraw/zinc/57/45/50/1400574550.db2.gz ZWMPVQGDJOEUOM-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001423423963 1400574552 /nfs/dbraw/zinc/57/45/52/1400574552.db2.gz ZWMPVQGDJOEUOM-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001751979301 1406159396 /nfs/dbraw/zinc/15/93/96/1406159396.db2.gz UCMXFYAICVBJQU-RBUKOAKNSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC001751979301 1406159401 /nfs/dbraw/zinc/15/94/01/1406159401.db2.gz UCMXFYAICVBJQU-RBUKOAKNSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC001751979301 1406159407 /nfs/dbraw/zinc/15/94/07/1406159407.db2.gz UCMXFYAICVBJQU-RBUKOAKNSA-N 2 1 342.487 2.227 20 30 EEEDMP C[NH+](CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)s1 ZINC001751992182 1406169983 /nfs/dbraw/zinc/16/99/83/1406169983.db2.gz QRGBBJANOBNFDL-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP C[NH+](CCCNC(=O)CC[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC001751992182 1406169989 /nfs/dbraw/zinc/16/99/89/1406169989.db2.gz QRGBBJANOBNFDL-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP C=CC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)CCc3ccccc3)C2)C1 ZINC001755456838 1407482889 /nfs/dbraw/zinc/48/28/89/1407482889.db2.gz FUEZRMIVMADGCN-UHFFFAOYSA-N 2 1 341.499 2.271 20 30 EEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)CCc3ccccc3)C2)C1 ZINC001755456838 1407482891 /nfs/dbraw/zinc/48/28/91/1407482891.db2.gz FUEZRMIVMADGCN-UHFFFAOYSA-N 2 1 341.499 2.271 20 30 EEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)CCc3ccccc3)C2)C1 ZINC001755456838 1407482897 /nfs/dbraw/zinc/48/28/97/1407482897.db2.gz FUEZRMIVMADGCN-UHFFFAOYSA-N 2 1 341.499 2.271 20 30 EEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001755533101 1407600613 /nfs/dbraw/zinc/60/06/13/1407600613.db2.gz JDYHJMJXIOIUQG-IBGZPJMESA-N 2 1 337.483 2.145 20 30 EEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001755533101 1407600615 /nfs/dbraw/zinc/60/06/15/1407600615.db2.gz JDYHJMJXIOIUQG-IBGZPJMESA-N 2 1 337.483 2.145 20 30 EEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001755533101 1407600620 /nfs/dbraw/zinc/60/06/20/1407600620.db2.gz JDYHJMJXIOIUQG-IBGZPJMESA-N 2 1 337.483 2.145 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)CC)[C@@H]2CC)CC1 ZINC001087840398 782349785 /nfs/dbraw/zinc/34/97/85/782349785.db2.gz WARNSAYDOPDXJF-YTQUADARSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104291758 758132180 /nfs/dbraw/zinc/13/21/80/758132180.db2.gz UIEQBHOWVYTPNN-ZACQAIPSSA-N 2 1 330.476 2.411 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461266 760926846 /nfs/dbraw/zinc/92/68/46/760926846.db2.gz ARWXNUXVGGYBAM-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461266 760926853 /nfs/dbraw/zinc/92/68/53/760926853.db2.gz ARWXNUXVGGYBAM-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461266 760926860 /nfs/dbraw/zinc/92/68/60/760926860.db2.gz ARWXNUXVGGYBAM-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3cncn3C)CC2)CC1 ZINC001075462006 760944731 /nfs/dbraw/zinc/94/47/31/760944731.db2.gz ZUHHCZKWLOEHGQ-KRWDZBQOSA-N 2 1 344.503 2.489 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440060 761374923 /nfs/dbraw/zinc/37/49/23/761374923.db2.gz KCZZTQZLXLIQOD-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440060 761374932 /nfs/dbraw/zinc/37/49/32/761374932.db2.gz KCZZTQZLXLIQOD-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440060 761374937 /nfs/dbraw/zinc/37/49/37/761374937.db2.gz KCZZTQZLXLIQOD-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129701 782949934 /nfs/dbraw/zinc/94/99/34/782949934.db2.gz AYDLBIRVSAKNJD-QRVBRYPASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089643435 773672618 /nfs/dbraw/zinc/67/26/18/773672618.db2.gz VDVVSXRWIKBIJU-FGTMMUONSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089643435 773672625 /nfs/dbraw/zinc/67/26/25/773672625.db2.gz VDVVSXRWIKBIJU-FGTMMUONSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089643435 773672627 /nfs/dbraw/zinc/67/26/27/773672627.db2.gz VDVVSXRWIKBIJU-FGTMMUONSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001089649285 773752731 /nfs/dbraw/zinc/75/27/31/773752731.db2.gz GOYFDWRSBKQRCC-DLBZAZTESA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649285 773752736 /nfs/dbraw/zinc/75/27/36/773752736.db2.gz GOYFDWRSBKQRCC-DLBZAZTESA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089657493 774008947 /nfs/dbraw/zinc/00/89/47/774008947.db2.gz VCOATBLMWSJFAT-SFHVURJKSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001089705874 774559014 /nfs/dbraw/zinc/55/90/14/774559014.db2.gz BVXRIVLNIVVDQE-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089705874 774559019 /nfs/dbraw/zinc/55/90/19/774559019.db2.gz BVXRIVLNIVVDQE-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089705874 774559023 /nfs/dbraw/zinc/55/90/23/774559023.db2.gz BVXRIVLNIVVDQE-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089705874 774559025 /nfs/dbraw/zinc/55/90/25/774559025.db2.gz BVXRIVLNIVVDQE-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001106910472 774874238 /nfs/dbraw/zinc/87/42/38/774874238.db2.gz ZRFKXIAPPXUIEN-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001089819413 776799105 /nfs/dbraw/zinc/79/91/05/776799105.db2.gz GOUBWXSPBGUXCC-XSLAGTTESA-N 2 1 331.504 2.216 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000981365284 777259543 /nfs/dbraw/zinc/25/95/43/777259543.db2.gz MPHNICZFNGEEGH-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC2CCCC2)CC1 ZINC000981365284 777259548 /nfs/dbraw/zinc/25/95/48/777259548.db2.gz MPHNICZFNGEEGH-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC2CCCC2)CC1 ZINC000981365284 777259551 /nfs/dbraw/zinc/25/95/51/777259551.db2.gz MPHNICZFNGEEGH-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC000981365284 777259555 /nfs/dbraw/zinc/25/95/55/777259555.db2.gz MPHNICZFNGEEGH-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000981365284 777259559 /nfs/dbraw/zinc/25/95/59/777259559.db2.gz MPHNICZFNGEEGH-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087469606 781318478 /nfs/dbraw/zinc/31/84/78/781318478.db2.gz MOROHXXJLKZUQP-QXAKKESOSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087469606 781318486 /nfs/dbraw/zinc/31/84/86/781318486.db2.gz MOROHXXJLKZUQP-QXAKKESOSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087469606 781318493 /nfs/dbraw/zinc/31/84/93/781318493.db2.gz MOROHXXJLKZUQP-QXAKKESOSA-N 2 1 345.462 2.238 20 30 EEEDMP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)C(C)C ZINC001135477709 783868241 /nfs/dbraw/zinc/86/82/41/783868241.db2.gz NVHOIXRGSXNFTR-SFHVURJKSA-N 2 1 348.466 2.270 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135975660 784923707 /nfs/dbraw/zinc/92/37/07/784923707.db2.gz ADZPAARTEOJPJY-HZPDHXFCSA-N 2 1 330.476 2.273 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001109729079 805908672 /nfs/dbraw/zinc/90/86/72/805908672.db2.gz SQSNMZCSHJENGS-QYZOEREBSA-N 2 1 327.472 2.068 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001109729079 805908679 /nfs/dbraw/zinc/90/86/79/805908679.db2.gz SQSNMZCSHJENGS-QYZOEREBSA-N 2 1 327.472 2.068 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109729079 805908687 /nfs/dbraw/zinc/90/86/87/805908687.db2.gz SQSNMZCSHJENGS-QYZOEREBSA-N 2 1 327.472 2.068 20 30 EEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109729079 805908692 /nfs/dbraw/zinc/90/86/92/805908692.db2.gz SQSNMZCSHJENGS-QYZOEREBSA-N 2 1 327.472 2.068 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000923560734 789771195 /nfs/dbraw/zinc/77/11/95/789771195.db2.gz GHHJFWBEAQWKFH-FQEVSTJZSA-N 2 1 339.483 2.500 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000923560734 789771203 /nfs/dbraw/zinc/77/12/03/789771203.db2.gz GHHJFWBEAQWKFH-FQEVSTJZSA-N 2 1 339.483 2.500 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908911 789795108 /nfs/dbraw/zinc/79/51/08/789795108.db2.gz HHPKRDSYCVZPGD-RDGPPVDQSA-N 2 1 331.504 2.217 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001146593106 791361745 /nfs/dbraw/zinc/36/17/45/791361745.db2.gz OANCNCJLFZTHQG-LSDHHAIUSA-N 2 1 348.466 2.410 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998091502 791946495 /nfs/dbraw/zinc/94/64/95/791946495.db2.gz BYPCOTFIJGXQNR-FHWLQOOXSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998091502 791946502 /nfs/dbraw/zinc/94/65/02/791946502.db2.gz BYPCOTFIJGXQNR-FHWLQOOXSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998091502 791946507 /nfs/dbraw/zinc/94/65/07/791946507.db2.gz BYPCOTFIJGXQNR-FHWLQOOXSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](CCF)CC2)CC1 ZINC000998195846 792200449 /nfs/dbraw/zinc/20/04/49/792200449.db2.gz HVHKLXJVRNJMCV-SFHVURJKSA-N 2 1 337.483 2.004 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C(F)(F)F ZINC000998310165 792528762 /nfs/dbraw/zinc/52/87/62/792528762.db2.gz GGDVTTBYCMFSOC-ZIAGYGMSSA-N 2 1 344.381 2.137 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086953039 793088735 /nfs/dbraw/zinc/08/87/35/793088735.db2.gz XPCNQDZLZFFQKQ-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091818746 793330768 /nfs/dbraw/zinc/33/07/68/793330768.db2.gz LPNQAGAJCOYFTB-WBVHZDCISA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091818746 793330778 /nfs/dbraw/zinc/33/07/78/793330778.db2.gz LPNQAGAJCOYFTB-WBVHZDCISA-N 2 1 337.895 2.148 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@H]12 ZINC000992352757 793775717 /nfs/dbraw/zinc/77/57/17/793775717.db2.gz PLFKITNSUWWCHF-AZUAARDMSA-N 2 1 349.438 2.017 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@H]12 ZINC000992352757 793775721 /nfs/dbraw/zinc/77/57/21/793775721.db2.gz PLFKITNSUWWCHF-AZUAARDMSA-N 2 1 349.438 2.017 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000999391311 794404471 /nfs/dbraw/zinc/40/44/71/794404471.db2.gz KDVJMGMJBAKYRZ-OALUTQOASA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000999391311 794404477 /nfs/dbraw/zinc/40/44/77/794404477.db2.gz KDVJMGMJBAKYRZ-OALUTQOASA-N 2 1 343.515 2.245 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092964203 794502240 /nfs/dbraw/zinc/50/22/40/794502240.db2.gz DDGDNZGGONKJIF-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092964203 794502241 /nfs/dbraw/zinc/50/22/41/794502241.db2.gz DDGDNZGGONKJIF-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@H]21 ZINC001036754804 794783580 /nfs/dbraw/zinc/78/35/80/794783580.db2.gz LOPGLUGLOSPHAT-MAUKXSAKSA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@H]21 ZINC001036754804 794783582 /nfs/dbraw/zinc/78/35/82/794783582.db2.gz LOPGLUGLOSPHAT-MAUKXSAKSA-N 2 1 346.475 2.239 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036755364 794786289 /nfs/dbraw/zinc/78/62/89/794786289.db2.gz VMEZZLVWHGFBBD-LPHOPBHVSA-N 2 1 336.439 2.202 20 30 EEEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107992982 795245876 /nfs/dbraw/zinc/24/58/76/795245876.db2.gz FTIVWCLKDPIJAB-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107992982 795245882 /nfs/dbraw/zinc/24/58/82/795245882.db2.gz FTIVWCLKDPIJAB-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107992982 795245886 /nfs/dbraw/zinc/24/58/86/795245886.db2.gz FTIVWCLKDPIJAB-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC/C=C\CC)[C@H](C)C1 ZINC001106266405 795311726 /nfs/dbraw/zinc/31/17/26/795311726.db2.gz ICLHWARBNMNBTL-RTUSNTFBSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC/C=C\CC)[C@H](C)C1 ZINC001106266405 795311732 /nfs/dbraw/zinc/31/17/32/795311732.db2.gz ICLHWARBNMNBTL-RTUSNTFBSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1 ZINC001093833089 795717419 /nfs/dbraw/zinc/71/74/19/795717419.db2.gz QSAIUYOGLGFNJL-QRQLOZEOSA-N 2 1 345.531 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1 ZINC001093833089 795717420 /nfs/dbraw/zinc/71/74/20/795717420.db2.gz QSAIUYOGLGFNJL-QRQLOZEOSA-N 2 1 345.531 2.204 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318600 795881050 /nfs/dbraw/zinc/88/10/50/795881050.db2.gz ZOLAFZTXYKLEOM-BHIYHBOVSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318600 795881056 /nfs/dbraw/zinc/88/10/56/795881056.db2.gz ZOLAFZTXYKLEOM-BHIYHBOVSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318600 795881062 /nfs/dbraw/zinc/88/10/62/795881062.db2.gz ZOLAFZTXYKLEOM-BHIYHBOVSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318600 795881068 /nfs/dbraw/zinc/88/10/68/795881068.db2.gz ZOLAFZTXYKLEOM-BHIYHBOVSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC[C@@H]12 ZINC001094445472 796252725 /nfs/dbraw/zinc/25/27/25/796252725.db2.gz ZLRNYYMJFWTMNH-UYAOXDASSA-N 2 1 343.515 2.247 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902917 796441611 /nfs/dbraw/zinc/44/16/11/796441611.db2.gz SCARNJQWTCNXHU-VQTJNVASSA-N 2 1 339.483 2.308 20 30 EEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001092999 796547711 /nfs/dbraw/zinc/54/77/11/796547711.db2.gz FHUVAASPQKWEEH-GOSISDBHSA-N 2 1 342.487 2.468 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001092999 796547716 /nfs/dbraw/zinc/54/77/16/796547716.db2.gz FHUVAASPQKWEEH-GOSISDBHSA-N 2 1 342.487 2.468 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860115 797430609 /nfs/dbraw/zinc/43/06/09/797430609.db2.gz JWCQFQMUNUQHJW-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174929168 797919629 /nfs/dbraw/zinc/91/96/29/797919629.db2.gz OHVBQOGFZXNWBH-DOTOQJQBSA-N 2 1 330.476 2.042 20 30 EEEDMP C[NH+](C)CCCOc1ccc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001176359463 798439420 /nfs/dbraw/zinc/43/94/20/798439420.db2.gz FOACDSWWUYRVAS-UHFFFAOYSA-N 2 1 329.404 2.051 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176758421 798570962 /nfs/dbraw/zinc/57/09/62/798570962.db2.gz BKDOOZRVIBGMTE-QZTJIDSGSA-N 2 1 339.524 2.328 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998184 798600651 /nfs/dbraw/zinc/60/06/51/798600651.db2.gz YXFAYEBKSBPORW-NEWSRXKRSA-N 2 1 331.504 2.360 20 30 EEEDMP CCCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177089277 798743865 /nfs/dbraw/zinc/74/38/65/798743865.db2.gz QZNIXLAVNDERML-ROUUACIJSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177089277 798743866 /nfs/dbraw/zinc/74/38/66/798743866.db2.gz QZNIXLAVNDERML-ROUUACIJSA-N 2 1 339.524 2.210 20 30 EEEDMP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003169453 799336594 /nfs/dbraw/zinc/33/65/94/799336594.db2.gz XSPCGKXPTKRSHW-FQEVSTJZSA-N 2 1 339.483 2.103 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003169453 799336600 /nfs/dbraw/zinc/33/66/00/799336600.db2.gz XSPCGKXPTKRSHW-FQEVSTJZSA-N 2 1 339.483 2.103 20 30 EEEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178708354 799599341 /nfs/dbraw/zinc/59/93/41/799599341.db2.gz TZOFFTDCNZWMNQ-LNLFQRSKSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001182401039 801152348 /nfs/dbraw/zinc/15/23/48/801152348.db2.gz CVUKTYVNUBDNJV-OXFYSEKESA-N 2 1 344.503 2.404 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC001085986994 801840806 /nfs/dbraw/zinc/84/08/06/801840806.db2.gz REINRHIMKNAAIK-LJQANCHMSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086085486 802106734 /nfs/dbraw/zinc/10/67/34/802106734.db2.gz HNACMYFOXFNTIT-LVQVYYBASA-N 2 1 325.884 2.098 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004522563 802284619 /nfs/dbraw/zinc/28/46/19/802284619.db2.gz LLUYICGPNAXPBF-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004585744 802424456 /nfs/dbraw/zinc/42/44/56/802424456.db2.gz JZNQJZBHMNLLPK-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001108252763 802488341 /nfs/dbraw/zinc/48/83/41/802488341.db2.gz ZBVJXUQJCOLTQW-IBGZPJMESA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001108252763 802488342 /nfs/dbraw/zinc/48/83/42/802488342.db2.gz ZBVJXUQJCOLTQW-IBGZPJMESA-N 2 1 348.491 2.180 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642880 802552826 /nfs/dbraw/zinc/55/28/26/802552826.db2.gz TUDZIXJQOGJNAS-RDGPPVDQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642880 802552829 /nfs/dbraw/zinc/55/28/29/802552829.db2.gz TUDZIXJQOGJNAS-RDGPPVDQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642880 802552834 /nfs/dbraw/zinc/55/28/34/802552834.db2.gz TUDZIXJQOGJNAS-RDGPPVDQSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033159968 802685087 /nfs/dbraw/zinc/68/50/87/802685087.db2.gz CDXCPIHBSAUSKX-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033159968 802685090 /nfs/dbraw/zinc/68/50/90/802685090.db2.gz CDXCPIHBSAUSKX-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033159968 802685095 /nfs/dbraw/zinc/68/50/95/802685095.db2.gz CDXCPIHBSAUSKX-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001033159968 802685099 /nfs/dbraw/zinc/68/50/99/802685099.db2.gz CDXCPIHBSAUSKX-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001033159968 802685104 /nfs/dbraw/zinc/68/51/04/802685104.db2.gz CDXCPIHBSAUSKX-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2cncc2C[C@@H]([NH3+])CO)cc1 ZINC001169075007 803605030 /nfs/dbraw/zinc/60/50/30/803605030.db2.gz FAHCOTPJDAHXFC-APWZRJJASA-N 2 1 326.444 2.057 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480536569 1100366407 /nfs/dbraw/zinc/36/64/07/1100366407.db2.gz IHPJRQYDOSMIFH-HNNXBMFYSA-N 2 1 330.476 2.130 20 30 EEEDMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001448146141 1104105046 /nfs/dbraw/zinc/10/50/46/1104105046.db2.gz JQVLAJBWVCNISU-KRWDZBQOSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001505436678 1113970571 /nfs/dbraw/zinc/97/05/71/1113970571.db2.gz BVTPQBPPBRFFLY-HNNXBMFYSA-N 2 1 325.884 2.290 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001505436678 1113970573 /nfs/dbraw/zinc/97/05/73/1113970573.db2.gz BVTPQBPPBRFFLY-HNNXBMFYSA-N 2 1 325.884 2.290 20 30 EEEDMP N#CC1(CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CCCCC1 ZINC000411431223 283044802 /nfs/dbraw/zinc/04/48/02/283044802.db2.gz PLUYSASXTMYXDF-UHFFFAOYSA-N 2 1 335.492 2.010 20 30 EEEDMP Cc1nccn1CCC[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000130429307 223151594 /nfs/dbraw/zinc/15/15/94/223151594.db2.gz PMZZMUOBHDIMFG-UHFFFAOYSA-N 2 1 325.416 2.414 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000130429307 223151595 /nfs/dbraw/zinc/15/15/95/223151595.db2.gz PMZZMUOBHDIMFG-UHFFFAOYSA-N 2 1 325.416 2.414 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000130429307 223151597 /nfs/dbraw/zinc/15/15/97/223151597.db2.gz PMZZMUOBHDIMFG-UHFFFAOYSA-N 2 1 325.416 2.414 20 30 EEEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000576029162 320134376 /nfs/dbraw/zinc/13/43/76/320134376.db2.gz UWWZBAMZCIGQNW-MJGOQNOKSA-N 2 1 345.487 2.400 20 30 EEEDMP CC1CC[NH+]([C@@H](CNC(=[NH2+])N2CCOCC2)c2cccs2)CC1 ZINC000262163815 463961367 /nfs/dbraw/zinc/96/13/67/463961367.db2.gz AEYBEWWORQNOEI-HNNXBMFYSA-N 2 1 336.505 2.168 20 30 EEEDMP CCN(C[C@H](C)C#N)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245805702 464516014 /nfs/dbraw/zinc/51/60/14/464516014.db2.gz PYLVDQHITGVROF-AOIWGVFYSA-N 2 1 342.487 2.247 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(OC)c1 ZINC000247080796 464647733 /nfs/dbraw/zinc/64/77/33/464647733.db2.gz HUJDFNJZBYEOKJ-ZWKOTPCHSA-N 2 1 348.487 2.047 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(OC)c1 ZINC000247080796 464647739 /nfs/dbraw/zinc/64/77/39/464647739.db2.gz HUJDFNJZBYEOKJ-ZWKOTPCHSA-N 2 1 348.487 2.047 20 30 EEEDMP CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000329792904 465435746 /nfs/dbraw/zinc/43/57/46/465435746.db2.gz AMESRLMOSXSAMM-ARFHVFGLSA-N 2 1 333.480 2.479 20 30 EEEDMP CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000329792904 465435751 /nfs/dbraw/zinc/43/57/51/465435751.db2.gz AMESRLMOSXSAMM-ARFHVFGLSA-N 2 1 333.480 2.479 20 30 EEEDMP CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000329792904 465435759 /nfs/dbraw/zinc/43/57/59/465435759.db2.gz AMESRLMOSXSAMM-ARFHVFGLSA-N 2 1 333.480 2.479 20 30 EEEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000329792904 465435771 /nfs/dbraw/zinc/43/57/71/465435771.db2.gz AMESRLMOSXSAMM-ARFHVFGLSA-N 2 1 333.480 2.479 20 30 EEEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000329792904 465435777 /nfs/dbraw/zinc/43/57/77/465435777.db2.gz AMESRLMOSXSAMM-ARFHVFGLSA-N 2 1 333.480 2.479 20 30 EEEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000329792904 465435782 /nfs/dbraw/zinc/43/57/82/465435782.db2.gz AMESRLMOSXSAMM-ARFHVFGLSA-N 2 1 333.480 2.479 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330338280 465621409 /nfs/dbraw/zinc/62/14/09/465621409.db2.gz VEMMJQQQKODYQK-HUUCEWRRSA-N 2 1 342.447 2.154 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330338280 465621411 /nfs/dbraw/zinc/62/14/11/465621411.db2.gz VEMMJQQQKODYQK-HUUCEWRRSA-N 2 1 342.447 2.154 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424139069 466988568 /nfs/dbraw/zinc/98/85/68/466988568.db2.gz DVTPOTNFMROXJC-OGWHTMIXSA-N 2 1 342.487 2.280 20 30 EEEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415139397 467499305 /nfs/dbraw/zinc/49/93/05/467499305.db2.gz ZPFNCNMXMDKGLQ-QGZVFWFLSA-N 2 1 327.432 2.139 20 30 EEEDMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1C#N ZINC000488130756 468072680 /nfs/dbraw/zinc/07/26/80/468072680.db2.gz WGNASQRBGDXDAD-YLJYHZDGSA-N 2 1 326.488 2.325 20 30 EEEDMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1C#N ZINC000488130756 468072684 /nfs/dbraw/zinc/07/26/84/468072684.db2.gz WGNASQRBGDXDAD-YLJYHZDGSA-N 2 1 326.488 2.325 20 30 EEEDMP C[N@H+]1CCN(CCC[NH2+]C[C@@H](C#N)CCC#N)[C@H](c2ccccc2)C1 ZINC000591725386 468510860 /nfs/dbraw/zinc/51/08/60/468510860.db2.gz WICOVGJQPYKICC-QUCCMNQESA-N 2 1 339.487 2.398 20 30 EEEDMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCC1 ZINC000600829763 468668009 /nfs/dbraw/zinc/66/80/09/468668009.db2.gz LSACVQUVNILNRY-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726276 782137644 /nfs/dbraw/zinc/13/76/44/782137644.db2.gz YUXGPXUFUDDFKG-RYQLBKOJSA-N 2 1 330.476 2.299 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726276 782137650 /nfs/dbraw/zinc/13/76/50/782137650.db2.gz YUXGPXUFUDDFKG-RYQLBKOJSA-N 2 1 330.476 2.299 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(OC)c1 ZINC000113514383 527254285 /nfs/dbraw/zinc/25/42/85/527254285.db2.gz HUJDFNJZBYEOKJ-MSOLQXFVSA-N 2 1 348.487 2.047 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(OC)c1 ZINC000113514383 527254291 /nfs/dbraw/zinc/25/42/91/527254291.db2.gz HUJDFNJZBYEOKJ-MSOLQXFVSA-N 2 1 348.487 2.047 20 30 EEEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)CC1 ZINC000131365259 528254471 /nfs/dbraw/zinc/25/44/71/528254471.db2.gz ZYZHNYVEUNDZEI-SFHVURJKSA-N 2 1 334.508 2.192 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133659 675633868 /nfs/dbraw/zinc/63/38/68/675633868.db2.gz JWFNATMLONYXAK-OALUTQOASA-N 2 1 333.520 2.463 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971688571 676738693 /nfs/dbraw/zinc/73/86/93/676738693.db2.gz YDCHBPGPJSAXDC-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000971688571 676738694 /nfs/dbraw/zinc/73/86/94/676738694.db2.gz YDCHBPGPJSAXDC-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000971688571 676738695 /nfs/dbraw/zinc/73/86/95/676738695.db2.gz YDCHBPGPJSAXDC-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971688274 676738769 /nfs/dbraw/zinc/73/87/69/676738769.db2.gz VOQCTFYZYIWIRD-OAHLLOKOSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1)C1CCC1 ZINC000971688274 676738772 /nfs/dbraw/zinc/73/87/72/676738772.db2.gz VOQCTFYZYIWIRD-OAHLLOKOSA-N 2 1 346.500 2.137 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022220927 676742613 /nfs/dbraw/zinc/74/26/13/676742613.db2.gz UPGGBNJNDQPOBM-OTWHNJEPSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022220927 676742614 /nfs/dbraw/zinc/74/26/14/676742614.db2.gz UPGGBNJNDQPOBM-OTWHNJEPSA-N 2 1 331.504 2.291 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC000971734913 676766306 /nfs/dbraw/zinc/76/63/06/676766306.db2.gz IRZUKZYKGZAKDR-OALUTQOASA-N 2 1 342.487 2.177 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC000971785038 676790361 /nfs/dbraw/zinc/79/03/61/676790361.db2.gz PWMAMWJCLKAGSG-SJLPKXTDSA-N 2 1 346.450 2.070 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556017 679376762 /nfs/dbraw/zinc/37/67/62/679376762.db2.gz FUWIZZTVGIGIPY-IAGOWNOFSA-N 2 1 330.476 2.158 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556017 679376764 /nfs/dbraw/zinc/37/67/64/679376764.db2.gz FUWIZZTVGIGIPY-IAGOWNOFSA-N 2 1 330.476 2.158 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@]2(C)C1 ZINC000982832418 681354092 /nfs/dbraw/zinc/35/40/92/681354092.db2.gz YSMHROZSDTXXTC-OYRHEFFESA-N 2 1 339.483 2.165 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982617583 681788954 /nfs/dbraw/zinc/78/89/54/681788954.db2.gz OKNSWWIWBRCXBN-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261944818 682527499 /nfs/dbraw/zinc/52/74/99/682527499.db2.gz FLUBHFLLVUZADX-LPHOPBHVSA-N 2 1 336.524 2.185 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001025627627 683153653 /nfs/dbraw/zinc/15/36/53/683153653.db2.gz AJQBPNDPGFWFEA-XLIONFOSSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CCN1C[C@H](NC(=O)c2sccc2CN(C)C)C(C)(C)C1 ZINC000974647197 685149739 /nfs/dbraw/zinc/14/97/39/685149739.db2.gz SIYWCMNKDJVVSO-HNNXBMFYSA-N 2 1 333.501 2.273 20 30 EEEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262432078 686048319 /nfs/dbraw/zinc/04/83/19/686048319.db2.gz SPKUDCOBWDECGU-KVDVXYDOSA-N 2 1 348.535 2.370 20 30 EEEDMP CCO[C@@H]1C[C@H](NC(N[C@@H]2CC[N@@H+](C3CC3)C2)=[NH+]C)C12CCCC2 ZINC000262477320 686278659 /nfs/dbraw/zinc/27/86/59/686278659.db2.gz ZXMKQJUBSSBNGM-HYVNUMGLSA-N 2 1 334.508 2.126 20 30 EEEDMP CCO[C@@H]1C[C@H](NC(N[C@@H]2CC[N@H+](C3CC3)C2)=[NH+]C)C12CCCC2 ZINC000262477320 686278664 /nfs/dbraw/zinc/27/86/64/686278664.db2.gz ZXMKQJUBSSBNGM-HYVNUMGLSA-N 2 1 334.508 2.126 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029757886 687023318 /nfs/dbraw/zinc/02/33/18/687023318.db2.gz KLKRECTUWZWJRY-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029757886 687023322 /nfs/dbraw/zinc/02/33/22/687023322.db2.gz KLKRECTUWZWJRY-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029757886 687023326 /nfs/dbraw/zinc/02/33/26/687023326.db2.gz KLKRECTUWZWJRY-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029757886 687023328 /nfs/dbraw/zinc/02/33/28/687023328.db2.gz KLKRECTUWZWJRY-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC000979094996 694175710 /nfs/dbraw/zinc/17/57/10/694175710.db2.gz ZJGZEJSAIICTII-LDLYASANSA-N 2 1 345.531 2.062 20 30 EEEDMP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986352094 688524219 /nfs/dbraw/zinc/52/42/19/688524219.db2.gz FTNOZZPBICCPFK-CXAGYDPISA-N 2 1 346.500 2.183 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000989450017 691849300 /nfs/dbraw/zinc/84/93/00/691849300.db2.gz MFQPVYORYWNXKK-LSDHHAIUSA-N 2 1 332.448 2.039 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943333618 1192200233 /nfs/dbraw/zinc/20/02/33/1192200233.db2.gz JAZYIDRZAVJQIC-CZUORRHYSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943333618 1192200238 /nfs/dbraw/zinc/20/02/38/1192200238.db2.gz JAZYIDRZAVJQIC-CZUORRHYSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876646 1186754219 /nfs/dbraw/zinc/75/42/19/1186754219.db2.gz UTQKFFMODAGXTE-YESZJQIVSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876646 1186754227 /nfs/dbraw/zinc/75/42/27/1186754227.db2.gz UTQKFFMODAGXTE-YESZJQIVSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876646 1186754233 /nfs/dbraw/zinc/75/42/33/1186754233.db2.gz UTQKFFMODAGXTE-YESZJQIVSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876646 1186754237 /nfs/dbraw/zinc/75/42/37/1186754237.db2.gz UTQKFFMODAGXTE-YESZJQIVSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876646 1186754247 /nfs/dbraw/zinc/75/42/47/1186754247.db2.gz UTQKFFMODAGXTE-YESZJQIVSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168345754 1188312385 /nfs/dbraw/zinc/31/23/85/1188312385.db2.gz SXTNHCQVBXHCNJ-HNNXBMFYSA-N 2 1 327.900 2.489 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(CC)CC)C[C@H]32)CC1 ZINC001076605748 1189036410 /nfs/dbraw/zinc/03/64/10/1189036410.db2.gz QVLKGKQXCOSGNL-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818031 1194441030 /nfs/dbraw/zinc/44/10/30/1194441030.db2.gz AZTYANJDZHREPB-YRPNKDGESA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818031 1194441032 /nfs/dbraw/zinc/44/10/32/1194441032.db2.gz AZTYANJDZHREPB-YRPNKDGESA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818031 1194441035 /nfs/dbraw/zinc/44/10/35/1194441035.db2.gz AZTYANJDZHREPB-YRPNKDGESA-N 2 1 343.515 2.197 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033417656 1194540352 /nfs/dbraw/zinc/54/03/52/1194540352.db2.gz WVOIUGCBGPCLMC-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033417656 1194540357 /nfs/dbraw/zinc/54/03/57/1194540357.db2.gz WVOIUGCBGPCLMC-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033417656 1194540362 /nfs/dbraw/zinc/54/03/62/1194540362.db2.gz WVOIUGCBGPCLMC-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033836757 1195354004 /nfs/dbraw/zinc/35/40/04/1195354004.db2.gz JKIJRKOFMLJPIF-KZNAEPCWSA-N 2 1 342.487 2.263 20 30 EEEDMP C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033836757 1195354009 /nfs/dbraw/zinc/35/40/09/1195354009.db2.gz JKIJRKOFMLJPIF-KZNAEPCWSA-N 2 1 342.487 2.263 20 30 EEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001005495416 1195615285 /nfs/dbraw/zinc/61/52/85/1195615285.db2.gz BNJBYKOHQLZHIV-IBGZPJMESA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537709 1196358076 /nfs/dbraw/zinc/35/80/76/1196358076.db2.gz NRYNYIKLIDSJLE-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001132273828 1199522228 /nfs/dbraw/zinc/52/22/28/1199522228.db2.gz KPBNLGLIJVUQBV-WMLDXEAASA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001132273828 1199522234 /nfs/dbraw/zinc/52/22/34/1199522234.db2.gz KPBNLGLIJVUQBV-WMLDXEAASA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCCCC)C2)CC1 ZINC001132518789 1199802211 /nfs/dbraw/zinc/80/22/11/1199802211.db2.gz OGHBCMAJIMBMSC-IEBWSBKVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133142273 1200495275 /nfs/dbraw/zinc/49/52/75/1200495275.db2.gz NDGHJPMXLIONJQ-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)ccc1C ZINC000931397764 1207370029 /nfs/dbraw/zinc/37/00/29/1207370029.db2.gz XQIAZPPMZJTNMM-SFHVURJKSA-N 2 1 342.487 2.355 20 30 EEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947857214 1208748321 /nfs/dbraw/zinc/74/83/21/1208748321.db2.gz INQIQUMJVIUGIS-ZBFHGGJFSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947857214 1208748324 /nfs/dbraw/zinc/74/83/24/1208748324.db2.gz INQIQUMJVIUGIS-ZBFHGGJFSA-N 2 1 325.416 2.036 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000948565964 1209226604 /nfs/dbraw/zinc/22/66/04/1209226604.db2.gz IUHFVLUCIIVSCX-IAGOWNOFSA-N 2 1 342.487 2.159 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000948565964 1209226608 /nfs/dbraw/zinc/22/66/08/1209226608.db2.gz IUHFVLUCIIVSCX-IAGOWNOFSA-N 2 1 342.487 2.159 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CCO2 ZINC000949115306 1209541594 /nfs/dbraw/zinc/54/15/94/1209541594.db2.gz ZKMCGOZCEJRACI-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP CC[NH+]=C(NCC1(C)CCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000088252597 1212260334 /nfs/dbraw/zinc/26/03/34/1212260334.db2.gz GXUMNPSXKANNFZ-KRWDZBQOSA-N 2 1 336.524 2.186 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(Br)c1 ZINC000303768701 1213904025 /nfs/dbraw/zinc/90/40/25/1213904025.db2.gz ANWJFFFVOIWRBV-AWEZNQCLSA-N 2 1 339.281 2.338 20 30 EEEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NCC3CCC3)c2)CCO1 ZINC000303883673 1213920113 /nfs/dbraw/zinc/92/01/13/1213920113.db2.gz MGBXYSDIFDMSMH-HNNXBMFYSA-N 2 1 330.476 2.112 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NCC3CCC3)c2)CCO1 ZINC000303883673 1213920120 /nfs/dbraw/zinc/92/01/20/1213920120.db2.gz MGBXYSDIFDMSMH-HNNXBMFYSA-N 2 1 330.476 2.112 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647948 1215295343 /nfs/dbraw/zinc/29/53/43/1215295343.db2.gz XNRRUCREJCDLLZ-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)Oc1ccccc1F ZINC000304667635 1216083360 /nfs/dbraw/zinc/08/33/60/1216083360.db2.gz BMKKDXZNZLVUTP-CABCVRRESA-N 2 1 336.455 2.372 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960290462 1216475511 /nfs/dbraw/zinc/47/55/11/1216475511.db2.gz PTBBAZBLLYUQOD-ZSYWTGECSA-N 2 1 331.504 2.406 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000960290462 1216475516 /nfs/dbraw/zinc/47/55/16/1216475516.db2.gz PTBBAZBLLYUQOD-ZSYWTGECSA-N 2 1 331.504 2.406 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000960290462 1216475519 /nfs/dbraw/zinc/47/55/19/1216475519.db2.gz PTBBAZBLLYUQOD-ZSYWTGECSA-N 2 1 331.504 2.406 20 30 EEEDMP C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960479692 1216615158 /nfs/dbraw/zinc/61/51/58/1216615158.db2.gz PKFSYWBZVKSHMH-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000960479692 1216615162 /nfs/dbraw/zinc/61/51/62/1216615162.db2.gz PKFSYWBZVKSHMH-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000960479692 1216615165 /nfs/dbraw/zinc/61/51/65/1216615165.db2.gz PKFSYWBZVKSHMH-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961283777 1217127365 /nfs/dbraw/zinc/12/73/65/1217127365.db2.gz LQUOCRQTBYOWGC-ZWKOTPCHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961283777 1217127367 /nfs/dbraw/zinc/12/73/67/1217127367.db2.gz LQUOCRQTBYOWGC-ZWKOTPCHSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961405165 1217177451 /nfs/dbraw/zinc/17/74/51/1217177451.db2.gz JALGXNLWSIJLAO-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961405165 1217177452 /nfs/dbraw/zinc/17/74/52/1217177452.db2.gz JALGXNLWSIJLAO-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961405165 1217177453 /nfs/dbraw/zinc/17/74/53/1217177453.db2.gz JALGXNLWSIJLAO-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961405716 1217177962 /nfs/dbraw/zinc/17/79/62/1217177962.db2.gz LIESLHHMMDCYER-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961407356 1217178227 /nfs/dbraw/zinc/17/82/27/1217178227.db2.gz XFQFYWYVDRDING-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961407356 1217178228 /nfs/dbraw/zinc/17/82/28/1217178228.db2.gz XFQFYWYVDRDING-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961407356 1217178230 /nfs/dbraw/zinc/17/82/30/1217178230.db2.gz XFQFYWYVDRDING-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CCC[N@@H+]3CCF)C2)CC1 ZINC000963431626 1217624764 /nfs/dbraw/zinc/62/47/64/1217624764.db2.gz XRYPINWLZHMFQC-RBUKOAKNSA-N 2 1 349.494 2.004 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423948 1220500737 /nfs/dbraw/zinc/50/07/37/1220500737.db2.gz MJKPFTJWCHWWQK-PXNSSMCTSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001018986362 1228607826 /nfs/dbraw/zinc/60/78/26/1228607826.db2.gz ZUXBWSBAVHYDMG-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001018986362 1228607831 /nfs/dbraw/zinc/60/78/31/1228607831.db2.gz ZUXBWSBAVHYDMG-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001038716254 1229993920 /nfs/dbraw/zinc/99/39/20/1229993920.db2.gz BYRNJUVXMOEMTB-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038716254 1229993923 /nfs/dbraw/zinc/99/39/23/1229993923.db2.gz BYRNJUVXMOEMTB-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038716254 1229993925 /nfs/dbraw/zinc/99/39/25/1229993925.db2.gz BYRNJUVXMOEMTB-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039204830 1230431808 /nfs/dbraw/zinc/43/18/08/1230431808.db2.gz FFQRVCNUASIYMC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039204830 1230431810 /nfs/dbraw/zinc/43/18/10/1230431810.db2.gz FFQRVCNUASIYMC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039204830 1230431813 /nfs/dbraw/zinc/43/18/13/1230431813.db2.gz FFQRVCNUASIYMC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234077 1230467190 /nfs/dbraw/zinc/46/71/90/1230467190.db2.gz IBZWWYQAOKHVEM-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039384696 1230569644 /nfs/dbraw/zinc/56/96/44/1230569644.db2.gz JXLFHWSYPCYMKA-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039384696 1230569648 /nfs/dbraw/zinc/56/96/48/1230569648.db2.gz JXLFHWSYPCYMKA-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001039384696 1230569653 /nfs/dbraw/zinc/56/96/53/1230569653.db2.gz JXLFHWSYPCYMKA-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001039437659 1230610104 /nfs/dbraw/zinc/61/01/04/1230610104.db2.gz SOLODYGLZDCYRW-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001040243986 1231129084 /nfs/dbraw/zinc/12/90/84/1231129084.db2.gz DJJQZLLAXHOINU-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001040243986 1231129087 /nfs/dbraw/zinc/12/90/87/1231129087.db2.gz DJJQZLLAXHOINU-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001040243986 1231129089 /nfs/dbraw/zinc/12/90/89/1231129089.db2.gz DJJQZLLAXHOINU-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001040243986 1231129090 /nfs/dbraw/zinc/12/90/90/1231129090.db2.gz DJJQZLLAXHOINU-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040275123 1231147264 /nfs/dbraw/zinc/14/72/64/1231147264.db2.gz INYIGTIYSUQIMS-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275123 1231147267 /nfs/dbraw/zinc/14/72/67/1231147267.db2.gz INYIGTIYSUQIMS-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275123 1231147268 /nfs/dbraw/zinc/14/72/68/1231147268.db2.gz INYIGTIYSUQIMS-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040279967 1231149601 /nfs/dbraw/zinc/14/96/01/1231149601.db2.gz BPEPQSCGJYOKKM-FQEVSTJZSA-N 2 1 336.439 2.286 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314609 1231165244 /nfs/dbraw/zinc/16/52/44/1231165244.db2.gz ULACPNREYOBVIC-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347340 1231180853 /nfs/dbraw/zinc/18/08/53/1231180853.db2.gz JJTHITRBPLVBIG-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347340 1231180854 /nfs/dbraw/zinc/18/08/54/1231180854.db2.gz JJTHITRBPLVBIG-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347340 1231180855 /nfs/dbraw/zinc/18/08/55/1231180855.db2.gz JJTHITRBPLVBIG-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040358794 1231186475 /nfs/dbraw/zinc/18/64/75/1231186475.db2.gz ZCUAXZUSQUBGNL-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040358794 1231186477 /nfs/dbraw/zinc/18/64/77/1231186477.db2.gz ZCUAXZUSQUBGNL-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040358794 1231186479 /nfs/dbraw/zinc/18/64/79/1231186479.db2.gz ZCUAXZUSQUBGNL-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)CC1 ZINC001040773906 1231363867 /nfs/dbraw/zinc/36/38/67/1231363867.db2.gz FBRWGSNQGOMTBJ-UHFFFAOYSA-N 2 1 342.487 2.262 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001041300173 1231498812 /nfs/dbraw/zinc/49/88/12/1231498812.db2.gz FPFYNJIMOYZYJE-JZXOWHBKSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041300173 1231498817 /nfs/dbraw/zinc/49/88/17/1231498817.db2.gz FPFYNJIMOYZYJE-JZXOWHBKSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041300173 1231498818 /nfs/dbraw/zinc/49/88/18/1231498818.db2.gz FPFYNJIMOYZYJE-JZXOWHBKSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041300173 1231498819 /nfs/dbraw/zinc/49/88/19/1231498819.db2.gz FPFYNJIMOYZYJE-JZXOWHBKSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041349501 1231515152 /nfs/dbraw/zinc/51/51/52/1231515152.db2.gz PFDDVVSTDQVNHO-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349501 1231515154 /nfs/dbraw/zinc/51/51/54/1231515154.db2.gz PFDDVVSTDQVNHO-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349501 1231515158 /nfs/dbraw/zinc/51/51/58/1231515158.db2.gz PFDDVVSTDQVNHO-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041366796 1231521934 /nfs/dbraw/zinc/52/19/34/1231521934.db2.gz BYGYWFSYHHPLDT-RXVVDRJESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041366796 1231521935 /nfs/dbraw/zinc/52/19/35/1231521935.db2.gz BYGYWFSYHHPLDT-RXVVDRJESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041366796 1231521936 /nfs/dbraw/zinc/52/19/36/1231521936.db2.gz BYGYWFSYHHPLDT-RXVVDRJESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041366796 1231521939 /nfs/dbraw/zinc/52/19/39/1231521939.db2.gz BYGYWFSYHHPLDT-RXVVDRJESA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042123534 1231904550 /nfs/dbraw/zinc/90/45/50/1231904550.db2.gz SQXYLOIBLKSIOM-APWZRJJASA-N 2 1 336.439 2.202 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268376 1231994052 /nfs/dbraw/zinc/99/40/52/1231994052.db2.gz CJNIBOBMRRKAEX-UYAOXDASSA-N 2 1 339.483 2.308 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042304448 1232017057 /nfs/dbraw/zinc/01/70/57/1232017057.db2.gz NXPGUOWEOJQEKA-HKUYNNGSSA-N 2 1 331.504 2.217 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042366964 1232048841 /nfs/dbraw/zinc/04/88/41/1232048841.db2.gz YPXKBFQOMXOUMO-ICSRJNTNSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](C/C=C\Cl)[C@@H]3C2)CC1 ZINC001042367589 1232049742 /nfs/dbraw/zinc/04/97/42/1232049742.db2.gz IICQWIFFDCKTIC-CKCOBZJESA-N 2 1 349.906 2.007 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001045442541 1233747992 /nfs/dbraw/zinc/74/79/92/1233747992.db2.gz XBKCLFRFEJNULF-HNNXBMFYSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001045555906 1233814751 /nfs/dbraw/zinc/81/47/51/1233814751.db2.gz CVAFBKLZSDJQRM-INIZCTEOSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001045673963 1233899268 /nfs/dbraw/zinc/89/92/68/1233899268.db2.gz ZZNSXLJTWCIVEG-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001045949568 1234214193 /nfs/dbraw/zinc/21/41/93/1234214193.db2.gz JVRDEOCNEUIBME-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949568 1234214196 /nfs/dbraw/zinc/21/41/96/1234214196.db2.gz JVRDEOCNEUIBME-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949568 1234214199 /nfs/dbraw/zinc/21/41/99/1234214199.db2.gz JVRDEOCNEUIBME-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045950758 1234216964 /nfs/dbraw/zinc/21/69/64/1234216964.db2.gz KSNHBMXRHLIBRL-HXUWFJFHSA-N 2 1 343.515 2.343 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047230943 1235707137 /nfs/dbraw/zinc/70/71/37/1235707137.db2.gz ITCSUOQKOQQHPS-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047244009 1235735010 /nfs/dbraw/zinc/73/50/10/1235735010.db2.gz OWSUTQSYGPJZDH-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048525659 1237863061 /nfs/dbraw/zinc/86/30/61/1237863061.db2.gz DBOIUFBSQUEDCI-RDGPPVDQSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048525659 1237863072 /nfs/dbraw/zinc/86/30/72/1237863072.db2.gz DBOIUFBSQUEDCI-RDGPPVDQSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048525659 1237863080 /nfs/dbraw/zinc/86/30/80/1237863080.db2.gz DBOIUFBSQUEDCI-RDGPPVDQSA-N 2 1 331.504 2.242 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849831 1238973928 /nfs/dbraw/zinc/97/39/28/1238973928.db2.gz UCWUEDRODKRXKO-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849831 1238973943 /nfs/dbraw/zinc/97/39/43/1238973943.db2.gz UCWUEDRODKRXKO-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849831 1238973954 /nfs/dbraw/zinc/97/39/54/1238973954.db2.gz UCWUEDRODKRXKO-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC001000152227 1240002550 /nfs/dbraw/zinc/00/25/50/1240002550.db2.gz BCDDZTBTILZRSA-AEFFLSMTSA-N 2 1 331.504 2.408 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049524909 1241245557 /nfs/dbraw/zinc/24/55/57/1241245557.db2.gz OQHUJRMYYWPWLH-GBESFXJTSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049524909 1241245567 /nfs/dbraw/zinc/24/55/67/1241245567.db2.gz OQHUJRMYYWPWLH-GBESFXJTSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049524909 1241245580 /nfs/dbraw/zinc/24/55/80/1241245580.db2.gz OQHUJRMYYWPWLH-GBESFXJTSA-N 2 1 331.504 2.338 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)ncc3C2)CC1 ZINC001001144776 1241722163 /nfs/dbraw/zinc/72/21/63/1241722163.db2.gz OJZFSXSNMNBLJS-KRWDZBQOSA-N 2 1 328.460 2.078 20 30 EEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001144776 1241722174 /nfs/dbraw/zinc/72/21/74/1241722174.db2.gz OJZFSXSNMNBLJS-KRWDZBQOSA-N 2 1 328.460 2.078 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001144776 1241722179 /nfs/dbraw/zinc/72/21/79/1241722179.db2.gz OJZFSXSNMNBLJS-KRWDZBQOSA-N 2 1 328.460 2.078 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001001465429 1242325348 /nfs/dbraw/zinc/32/53/48/1242325348.db2.gz AUXIISSWCOEEHX-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001001465429 1242325353 /nfs/dbraw/zinc/32/53/53/1242325353.db2.gz AUXIISSWCOEEHX-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC001001492442 1242378848 /nfs/dbraw/zinc/37/88/48/1242378848.db2.gz PNKQDECTZJFRLX-SFHVURJKSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC001001492442 1242378860 /nfs/dbraw/zinc/37/88/60/1242378860.db2.gz PNKQDECTZJFRLX-SFHVURJKSA-N 2 1 345.512 2.174 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001073678685 1242638224 /nfs/dbraw/zinc/63/82/24/1242638224.db2.gz BMQGLRQIUHRQTE-SFHVURJKSA-N 2 1 342.443 2.121 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC001050264288 1243211434 /nfs/dbraw/zinc/21/14/34/1243211434.db2.gz WFVFTOGHVLSXON-UZLBHIALSA-N 2 1 339.483 2.461 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC001050264288 1243211443 /nfs/dbraw/zinc/21/14/43/1243211443.db2.gz WFVFTOGHVLSXON-UZLBHIALSA-N 2 1 339.483 2.461 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079643 1243676527 /nfs/dbraw/zinc/67/65/27/1243676527.db2.gz MHXWSUXENMTBPP-NBYUQASBSA-N 2 1 343.515 2.386 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052713108 1244815344 /nfs/dbraw/zinc/81/53/44/1244815344.db2.gz QVXACVFKTOGUFG-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052713108 1244815350 /nfs/dbraw/zinc/81/53/50/1244815350.db2.gz QVXACVFKTOGUFG-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052716219 1244821627 /nfs/dbraw/zinc/82/16/27/1244821627.db2.gz KVQVKLIUKPBTAH-HNNXBMFYSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052716219 1244821641 /nfs/dbraw/zinc/82/16/41/1244821641.db2.gz KVQVKLIUKPBTAH-HNNXBMFYSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052716219 1244821657 /nfs/dbraw/zinc/82/16/57/1244821657.db2.gz KVQVKLIUKPBTAH-HNNXBMFYSA-N 2 1 327.900 2.442 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001052937411 1245513610 /nfs/dbraw/zinc/51/36/10/1245513610.db2.gz KMZXPMVVRMNEPI-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)s1 ZINC001052938379 1245516064 /nfs/dbraw/zinc/51/60/64/1245516064.db2.gz WZVLCCTWHYCIIC-HNNXBMFYSA-N 2 1 346.500 2.186 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)O2 ZINC001053674157 1246625464 /nfs/dbraw/zinc/62/54/64/1246625464.db2.gz JRTFJGLIQLQJKO-ZWKOTPCHSA-N 2 1 349.519 2.175 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001052254965 1246783687 /nfs/dbraw/zinc/78/36/87/1246783687.db2.gz SLFKBQUCTYAXES-RHSMWYFYSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001052254965 1246783693 /nfs/dbraw/zinc/78/36/93/1246783693.db2.gz SLFKBQUCTYAXES-RHSMWYFYSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001052254965 1246783700 /nfs/dbraw/zinc/78/37/00/1246783700.db2.gz SLFKBQUCTYAXES-RHSMWYFYSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001054058490 1247263019 /nfs/dbraw/zinc/26/30/19/1247263019.db2.gz NGWBKZDIEWZVFX-LJQANCHMSA-N 2 1 339.483 2.201 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438977 1247286939 /nfs/dbraw/zinc/28/69/39/1247286939.db2.gz FVSQZJGSRQFSIW-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001052438977 1247286946 /nfs/dbraw/zinc/28/69/46/1247286946.db2.gz FVSQZJGSRQFSIW-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001052438977 1247286956 /nfs/dbraw/zinc/28/69/56/1247286956.db2.gz FVSQZJGSRQFSIW-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158053 1247559098 /nfs/dbraw/zinc/55/90/98/1247559098.db2.gz DFUBSZOTTVUIHN-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054158053 1247559102 /nfs/dbraw/zinc/55/91/02/1247559102.db2.gz DFUBSZOTTVUIHN-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054158053 1247559108 /nfs/dbraw/zinc/55/91/08/1247559108.db2.gz DFUBSZOTTVUIHN-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159761 1247566254 /nfs/dbraw/zinc/56/62/54/1247566254.db2.gz YWKAUANLGASBCV-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159761 1247566258 /nfs/dbraw/zinc/56/62/58/1247566258.db2.gz YWKAUANLGASBCV-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159761 1247566265 /nfs/dbraw/zinc/56/62/65/1247566265.db2.gz YWKAUANLGASBCV-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054245055 1247861655 /nfs/dbraw/zinc/86/16/55/1247861655.db2.gz NVSGIDWHEAQVRV-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245055 1247861671 /nfs/dbraw/zinc/86/16/71/1247861671.db2.gz NVSGIDWHEAQVRV-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245055 1247861690 /nfs/dbraw/zinc/86/16/90/1247861690.db2.gz NVSGIDWHEAQVRV-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001071175797 1254031446 /nfs/dbraw/zinc/03/14/46/1254031446.db2.gz LEGSEUVQFNIXRM-PKOBYXMFSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](C[C@H](C)CC)C3)CC1 ZINC001099174509 1257994041 /nfs/dbraw/zinc/99/40/41/1257994041.db2.gz QGSIGHVCJWAVGD-LMNJBCLMSA-N 2 1 345.531 2.348 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001491230669 1258831361 /nfs/dbraw/zinc/83/13/61/1258831361.db2.gz VSJXEZGASKPELN-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001491230669 1258831368 /nfs/dbraw/zinc/83/13/68/1258831368.db2.gz VSJXEZGASKPELN-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001491230669 1258831377 /nfs/dbraw/zinc/83/13/77/1258831377.db2.gz VSJXEZGASKPELN-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001491230669 1258831385 /nfs/dbraw/zinc/83/13/85/1258831385.db2.gz VSJXEZGASKPELN-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001185722815 1278765579 /nfs/dbraw/zinc/76/55/79/1278765579.db2.gz AFIVFVLLCYYVBI-CQSZACIVSA-N 2 1 348.516 2.288 20 30 EEEDMP C#C[C@](C)(CC)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000852099890 1291993101 /nfs/dbraw/zinc/99/31/01/1291993101.db2.gz RBJBADTYGHNNTO-OAQYLSRUSA-N 2 1 341.499 2.421 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CCCC3)C2)CC1 ZINC001072094523 1295233976 /nfs/dbraw/zinc/23/39/76/1295233976.db2.gz AMEXLAZAUXMZIF-FXAWDEMLSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219208 1295941474 /nfs/dbraw/zinc/94/14/74/1295941474.db2.gz GOSRDUPFRROYIT-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219208 1295941481 /nfs/dbraw/zinc/94/14/81/1295941481.db2.gz GOSRDUPFRROYIT-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219208 1295941483 /nfs/dbraw/zinc/94/14/83/1295941483.db2.gz GOSRDUPFRROYIT-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213341992 1295985568 /nfs/dbraw/zinc/98/55/68/1295985568.db2.gz AAAQPKLVCDNSID-IAGOWNOFSA-N 2 1 339.524 2.114 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399682 1296006288 /nfs/dbraw/zinc/00/62/88/1296006288.db2.gz GSHPMKRLYBMTGL-KZNAEPCWSA-N 2 1 339.524 2.134 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213529383 1296073309 /nfs/dbraw/zinc/07/33/09/1296073309.db2.gz QEQKVBYMLCEEEB-IAGOWNOFSA-N 2 1 348.491 2.178 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213529383 1296073317 /nfs/dbraw/zinc/07/33/17/1296073317.db2.gz QEQKVBYMLCEEEB-IAGOWNOFSA-N 2 1 348.491 2.178 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H](OC)C1 ZINC001213931649 1296224027 /nfs/dbraw/zinc/22/40/27/1296224027.db2.gz NDSNWECEWBSEPG-QRVBRYPASA-N 2 1 345.487 2.071 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H](OC)C1 ZINC001213931649 1296224042 /nfs/dbraw/zinc/22/40/42/1296224042.db2.gz NDSNWECEWBSEPG-QRVBRYPASA-N 2 1 345.487 2.071 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001215162366 1296744528 /nfs/dbraw/zinc/74/45/28/1296744528.db2.gz PXOCRKBFQHNART-NVXWUHKLSA-N 2 1 330.476 2.165 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801916 1297294194 /nfs/dbraw/zinc/29/41/94/1297294194.db2.gz XWNTWDJTLSDQPP-KURKYZTESA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801916 1297294199 /nfs/dbraw/zinc/29/41/99/1297294199.db2.gz XWNTWDJTLSDQPP-KURKYZTESA-N 2 1 339.524 2.114 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)C1 ZINC001221913071 1299187389 /nfs/dbraw/zinc/18/73/89/1299187389.db2.gz CTGDHQBTRHWYPS-ZWKOTPCHSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)C1 ZINC001221913071 1299187406 /nfs/dbraw/zinc/18/74/06/1299187406.db2.gz CTGDHQBTRHWYPS-ZWKOTPCHSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@H](CC)C2)C1 ZINC001221913071 1299187419 /nfs/dbraw/zinc/18/74/19/1299187419.db2.gz CTGDHQBTRHWYPS-ZWKOTPCHSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@H](CC)C2)C1 ZINC001221913071 1299187435 /nfs/dbraw/zinc/18/74/35/1299187435.db2.gz CTGDHQBTRHWYPS-ZWKOTPCHSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)N(C)CC)[C@@H]2C1 ZINC001221942473 1299214138 /nfs/dbraw/zinc/21/41/38/1299214138.db2.gz MNMOQUJCBNUMPQ-VAMGGRTRSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)[C@@H]2C1 ZINC001221942473 1299214150 /nfs/dbraw/zinc/21/41/50/1299214150.db2.gz MNMOQUJCBNUMPQ-VAMGGRTRSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)[C@@H]2C1 ZINC001221942473 1299214168 /nfs/dbraw/zinc/21/41/68/1299214168.db2.gz MNMOQUJCBNUMPQ-VAMGGRTRSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001221942473 1299214205 /nfs/dbraw/zinc/21/42/05/1299214205.db2.gz MNMOQUJCBNUMPQ-VAMGGRTRSA-N 2 1 339.483 2.235 20 30 EEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899847 1299474010 /nfs/dbraw/zinc/47/40/10/1299474010.db2.gz YZSWAMKDSHUSCL-IRXDYDNUSA-N 2 1 339.524 2.015 20 30 EEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899847 1299474019 /nfs/dbraw/zinc/47/40/19/1299474019.db2.gz YZSWAMKDSHUSCL-IRXDYDNUSA-N 2 1 339.524 2.015 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899847 1299474032 /nfs/dbraw/zinc/47/40/32/1299474032.db2.gz YZSWAMKDSHUSCL-IRXDYDNUSA-N 2 1 339.524 2.015 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+](C)C ZINC001102088311 1300275058 /nfs/dbraw/zinc/27/50/58/1300275058.db2.gz RTSFOTMXQXZQSL-ATZDWAIDSA-N 2 1 342.487 2.083 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001229502909 1302821099 /nfs/dbraw/zinc/82/10/99/1302821099.db2.gz BGWHXFIDQOQCSD-RTBURBONSA-N 2 1 342.487 2.417 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103494325 1303033208 /nfs/dbraw/zinc/03/32/08/1303033208.db2.gz XDTZAWZOZWQKNP-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103494325 1303033214 /nfs/dbraw/zinc/03/32/14/1303033214.db2.gz XDTZAWZOZWQKNP-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103534136 1303082791 /nfs/dbraw/zinc/08/27/91/1303082791.db2.gz UTIWJZURJIINDC-SJLPKXTDSA-N 2 1 330.476 2.069 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103534136 1303082795 /nfs/dbraw/zinc/08/27/95/1303082795.db2.gz UTIWJZURJIINDC-SJLPKXTDSA-N 2 1 330.476 2.069 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001104217002 1303654641 /nfs/dbraw/zinc/65/46/41/1303654641.db2.gz DFJCJDHINUPCHS-RKVPGOIHSA-N 2 1 345.491 2.050 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001104217002 1303654645 /nfs/dbraw/zinc/65/46/45/1303654645.db2.gz DFJCJDHINUPCHS-RKVPGOIHSA-N 2 1 345.491 2.050 20 30 EEEDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1C#N ZINC001277596154 1303966590 /nfs/dbraw/zinc/96/65/90/1303966590.db2.gz SDQOHNXZZATAHB-YQQQUEKLSA-N 2 1 342.487 2.084 20 30 EEEDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1C#N ZINC001277596154 1303966591 /nfs/dbraw/zinc/96/65/91/1303966591.db2.gz SDQOHNXZZATAHB-YQQQUEKLSA-N 2 1 342.487 2.084 20 30 EEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCCCC1 ZINC001115571666 1305391818 /nfs/dbraw/zinc/39/18/18/1305391818.db2.gz JPYYMJALEXACIZ-SFHVURJKSA-N 2 1 349.519 2.225 20 30 EEEDMP C=CCOCC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001115574750 1305405538 /nfs/dbraw/zinc/40/55/38/1305405538.db2.gz OBJFXFAIVWDHDM-UHFFFAOYSA-N 2 1 337.508 2.082 20 30 EEEDMP C#CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC001120213308 1309387674 /nfs/dbraw/zinc/38/76/74/1309387674.db2.gz INQBCUWAFUZBGC-GOSISDBHSA-N 2 1 327.472 2.331 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120422844 1309525204 /nfs/dbraw/zinc/52/52/04/1309525204.db2.gz PEPCGLLMRBCWGH-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001246306446 1310276608 /nfs/dbraw/zinc/27/66/08/1310276608.db2.gz WECOVOLQHCRBAR-SFHVURJKSA-N 2 1 337.423 2.453 20 30 EEEDMP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001246306446 1310276614 /nfs/dbraw/zinc/27/66/14/1310276614.db2.gz WECOVOLQHCRBAR-SFHVURJKSA-N 2 1 337.423 2.453 20 30 EEEDMP C=CCC[C@@H]([NH3+])c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC001247622029 1310652652 /nfs/dbraw/zinc/65/26/52/1310652652.db2.gz CUVGIAACXMZMAG-OAHLLOKOSA-N 2 1 327.432 2.454 20 30 EEEDMP N#Cc1ccc(-c2noc([C@@H]([NH3+])CCCNC(N)=[NH2+])n2)c2ccccc12 ZINC001248639583 1310921489 /nfs/dbraw/zinc/92/14/89/1310921489.db2.gz YWLIAEQJGFUUNG-HNNXBMFYSA-N 2 1 349.398 2.025 20 30 EEEDMP C[NH+](C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC001152528289 1316684086 /nfs/dbraw/zinc/68/40/86/1316684086.db2.gz CONCEFQIEGLPNC-LJQANCHMSA-N 2 1 336.439 2.067 20 30 EEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362221 1316817484 /nfs/dbraw/zinc/81/74/84/1316817484.db2.gz KXPPABSKCFWDMM-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCOC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252469006 1317609300 /nfs/dbraw/zinc/60/93/00/1317609300.db2.gz SZXPRCBMQYTRTN-PMACEKPBSA-N 2 1 330.472 2.148 20 30 EEEDMP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158036621 1318979290 /nfs/dbraw/zinc/97/92/90/1318979290.db2.gz DQIAAMHZYWNSHK-VQTJNVASSA-N 2 1 339.483 2.008 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001158405198 1319223539 /nfs/dbraw/zinc/22/35/39/1319223539.db2.gz NYTRZASRMXQCDE-PKOBYXMFSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001158405198 1319223555 /nfs/dbraw/zinc/22/35/55/1319223555.db2.gz NYTRZASRMXQCDE-PKOBYXMFSA-N 2 1 342.487 2.090 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169209 1320088578 /nfs/dbraw/zinc/08/85/78/1320088578.db2.gz LDVHCGYFQJSLKN-RBUKOAKNSA-N 2 1 349.519 2.058 20 30 EEEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169209 1320088582 /nfs/dbraw/zinc/08/85/82/1320088582.db2.gz LDVHCGYFQJSLKN-RBUKOAKNSA-N 2 1 349.519 2.058 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169209 1320088588 /nfs/dbraw/zinc/08/85/88/1320088588.db2.gz LDVHCGYFQJSLKN-RBUKOAKNSA-N 2 1 349.519 2.058 20 30 EEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161694423 1320590355 /nfs/dbraw/zinc/59/03/55/1320590355.db2.gz MZKSCOPSDBYTEK-UHFFFAOYSA-N 2 1 331.504 2.433 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001162928511 1320990313 /nfs/dbraw/zinc/99/03/13/1320990313.db2.gz JSVYKFMZAHPBBO-IBGZPJMESA-N 2 1 341.499 2.155 20 30 EEEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164536537 1321411289 /nfs/dbraw/zinc/41/12/89/1321411289.db2.gz UNEACEGRCKFZNG-KRWDZBQOSA-N 2 1 327.513 2.162 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCCCF)CC1 ZINC001165545193 1321543314 /nfs/dbraw/zinc/54/33/14/1321543314.db2.gz FLLUKRLRQJJQQP-KRWDZBQOSA-N 2 1 337.483 2.100 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCCCF)CC1 ZINC001165545193 1321543319 /nfs/dbraw/zinc/54/33/19/1321543319.db2.gz FLLUKRLRQJJQQP-KRWDZBQOSA-N 2 1 337.483 2.100 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]3C2)cn1 ZINC001203762897 1321956012 /nfs/dbraw/zinc/95/60/12/1321956012.db2.gz XNSLEQLDPADLSW-WOJBJXKFSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]3C2)cn1 ZINC001203762897 1321956014 /nfs/dbraw/zinc/95/60/14/1321956014.db2.gz XNSLEQLDPADLSW-WOJBJXKFSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]3C2)cn1 ZINC001203762897 1321956015 /nfs/dbraw/zinc/95/60/15/1321956015.db2.gz XNSLEQLDPADLSW-WOJBJXKFSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]3C2)cn1 ZINC001203762897 1321956017 /nfs/dbraw/zinc/95/60/17/1321956017.db2.gz XNSLEQLDPADLSW-WOJBJXKFSA-N 2 1 335.455 2.246 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203816480 1321967811 /nfs/dbraw/zinc/96/78/11/1321967811.db2.gz XPUAHBPQAWRVHL-OALUTQOASA-N 2 1 339.483 2.159 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203816480 1321967815 /nfs/dbraw/zinc/96/78/15/1321967815.db2.gz XPUAHBPQAWRVHL-OALUTQOASA-N 2 1 339.483 2.159 20 30 EEEDMP C#CCCC[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001209267364 1324877642 /nfs/dbraw/zinc/87/76/42/1324877642.db2.gz ONIOHRPPVYCAEQ-VAMGGRTRSA-N 2 1 334.504 2.380 20 30 EEEDMP C#CCCC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001209267656 1324878270 /nfs/dbraw/zinc/87/82/70/1324878270.db2.gz TXGDHKJYXYCGOE-UHFFFAOYSA-N 2 1 327.472 2.409 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209277179 1324881403 /nfs/dbraw/zinc/88/14/03/1324881403.db2.gz HHTRDVYHCWCINK-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC001335367478 1336367946 /nfs/dbraw/zinc/36/79/46/1336367946.db2.gz MTFIFMOMUOEBMH-ZWKOTPCHSA-N 2 1 348.487 2.095 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001100466252 1338402396 /nfs/dbraw/zinc/40/23/96/1338402396.db2.gz FPBUSFYWNOYYNZ-WLYUNCDWSA-N 2 1 334.464 2.189 20 30 EEEDMP C=C(C)CN(CC)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CCn1cc[nH+]c1C ZINC001574836537 1343706458 /nfs/dbraw/zinc/70/64/58/1343706458.db2.gz OCXDFJQQWXMDGQ-IYBDPMFKSA-N 2 1 343.479 2.090 20 30 EEEDMP C[N@@H+](CC(=O)N[C@H](C[NH2+]Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001379881787 1380929508 /nfs/dbraw/zinc/92/95/08/1380929508.db2.gz SUJJAZCUIOPGSV-LJQANCHMSA-N 2 1 340.471 2.027 20 30 EEEDMP CC#CC[N@@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001752274716 1406254663 /nfs/dbraw/zinc/25/46/63/1406254663.db2.gz NZPPDVRICUUDSE-LJQANCHMSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+](CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001752274716 1406254667 /nfs/dbraw/zinc/25/46/67/1406254667.db2.gz NZPPDVRICUUDSE-LJQANCHMSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+](CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001752274716 1406254670 /nfs/dbraw/zinc/25/46/70/1406254670.db2.gz NZPPDVRICUUDSE-LJQANCHMSA-N 2 1 337.483 2.193 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001392964851 1390263748 /nfs/dbraw/zinc/26/37/48/1390263748.db2.gz MPAZRDYKEOCPAE-MRXNPFEDSA-N 2 1 346.500 2.233 20 30 EEEDMP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001752853621 1406488747 /nfs/dbraw/zinc/48/87/47/1406488747.db2.gz KLLUZUQUMWWINV-GTPINHCMSA-N 2 1 330.476 2.347 20 30 EEEDMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001399873890 1395589434 /nfs/dbraw/zinc/58/94/34/1395589434.db2.gz PMLBYIJQCPEITF-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001399873890 1395589440 /nfs/dbraw/zinc/58/94/40/1395589440.db2.gz PMLBYIJQCPEITF-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCc1ccc(C)cc1 ZINC001754312666 1406889724 /nfs/dbraw/zinc/88/97/24/1406889724.db2.gz FCKXTRQNISKKJE-QUCCMNQESA-N 2 1 341.499 2.072 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCc1ccc(C)cc1 ZINC001754312666 1406889731 /nfs/dbraw/zinc/88/97/31/1406889731.db2.gz FCKXTRQNISKKJE-QUCCMNQESA-N 2 1 341.499 2.072 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCc1ccc(C)cc1 ZINC001754312666 1406889737 /nfs/dbraw/zinc/88/97/37/1406889737.db2.gz FCKXTRQNISKKJE-QUCCMNQESA-N 2 1 341.499 2.072 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCc1ccc(C)cc1 ZINC001754312666 1406889743 /nfs/dbraw/zinc/88/97/43/1406889743.db2.gz FCKXTRQNISKKJE-QUCCMNQESA-N 2 1 341.499 2.072 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001401595446 1397465768 /nfs/dbraw/zinc/46/57/68/1397465768.db2.gz FVZUBVVGZBJFHM-RHSMWYFYSA-N 2 1 348.516 2.336 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001755205679 1407218589 /nfs/dbraw/zinc/21/85/89/1407218589.db2.gz WFPJFRPKPAWUHJ-WOJBJXKFSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC=C(Cl)Cl ZINC001755500869 1407545140 /nfs/dbraw/zinc/54/51/40/1407545140.db2.gz HFKJYSUNUXPKNX-KBPBESRZSA-N 2 1 346.302 2.278 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC=C(Cl)Cl ZINC001755500869 1407545151 /nfs/dbraw/zinc/54/51/51/1407545151.db2.gz HFKJYSUNUXPKNX-KBPBESRZSA-N 2 1 346.302 2.278 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001755741038 1407800554 /nfs/dbraw/zinc/80/05/54/1407800554.db2.gz CZQDZTAALJNIMS-WOJBJXKFSA-N 2 1 341.499 2.059 20 30 EEEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)c(F)c1 ZINC001755901354 1407976447 /nfs/dbraw/zinc/97/64/47/1407976447.db2.gz ONDKPUXPGBHFBB-IBGZPJMESA-N 2 1 345.462 2.429 20 30 EEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104290980 758128616 /nfs/dbraw/zinc/12/86/16/758128616.db2.gz HGXVPEMWFQUDNN-ZACQAIPSSA-N 2 1 330.476 2.411 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC001075461575 760934028 /nfs/dbraw/zinc/93/40/28/760934028.db2.gz LKWMREGVFMNZBM-GOSISDBHSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC001075461575 760934032 /nfs/dbraw/zinc/93/40/32/760934032.db2.gz LKWMREGVFMNZBM-GOSISDBHSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C(C)(C)[C@@H]21 ZINC001087296342 761512578 /nfs/dbraw/zinc/51/25/78/761512578.db2.gz XRDQKAOSDIQBDV-KZNAEPCWSA-N 2 1 336.439 2.186 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087311619 761586863 /nfs/dbraw/zinc/58/68/63/761586863.db2.gz RESZHEWFABYHOY-QRVBRYPASA-N 2 1 345.531 2.345 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087994270 782736749 /nfs/dbraw/zinc/73/67/49/782736749.db2.gz ZPIFYBPMHSIRQT-HBFSDRIKSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994270 782736751 /nfs/dbraw/zinc/73/67/51/782736751.db2.gz ZPIFYBPMHSIRQT-HBFSDRIKSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994270 782736756 /nfs/dbraw/zinc/73/67/56/782736756.db2.gz ZPIFYBPMHSIRQT-HBFSDRIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446350 769308086 /nfs/dbraw/zinc/30/80/86/769308086.db2.gz WGASMCDQYIKLBG-RBUKOAKNSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089649166 773757966 /nfs/dbraw/zinc/75/79/66/773757966.db2.gz CPQOXCBSXWOYJB-ROUUACIJSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649166 773757972 /nfs/dbraw/zinc/75/79/72/773757972.db2.gz CPQOXCBSXWOYJB-ROUUACIJSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649166 773757974 /nfs/dbraw/zinc/75/79/74/773757974.db2.gz CPQOXCBSXWOYJB-ROUUACIJSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(=C)C)C[C@@H]3C2)CC1 ZINC000980255830 774198559 /nfs/dbraw/zinc/19/85/59/774198559.db2.gz PNYWIDFGYAZWGA-HSALFYBXSA-N 2 1 343.515 2.124 20 30 EEEDMP O=C(NCC1CN(CC#Cc2ccccc2)C1)c1ccn2cncc2c1 ZINC001031816563 776336536 /nfs/dbraw/zinc/33/65/36/776336536.db2.gz FDSOKIWGKQGVNZ-UHFFFAOYSA-N 2 1 344.418 2.048 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000982013143 778866766 /nfs/dbraw/zinc/86/67/66/778866766.db2.gz MLCZWQONTDIYJP-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC000982013143 778866772 /nfs/dbraw/zinc/86/67/72/778866772.db2.gz MLCZWQONTDIYJP-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC000982013143 778866778 /nfs/dbraw/zinc/86/67/78/778866778.db2.gz MLCZWQONTDIYJP-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000982052506 778998270 /nfs/dbraw/zinc/99/82/70/778998270.db2.gz NCXRIISAVXAORS-UHFFFAOYSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000982052506 778998278 /nfs/dbraw/zinc/99/82/78/778998278.db2.gz NCXRIISAVXAORS-UHFFFAOYSA-N 2 1 339.911 2.395 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982473650 779131477 /nfs/dbraw/zinc/13/14/77/779131477.db2.gz ZKNVJPSCQSVYJK-SESVDKBCSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982473650 779131481 /nfs/dbraw/zinc/13/14/81/779131481.db2.gz ZKNVJPSCQSVYJK-SESVDKBCSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982473650 779131486 /nfs/dbraw/zinc/13/14/86/779131486.db2.gz ZKNVJPSCQSVYJK-SESVDKBCSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946807745 783531718 /nfs/dbraw/zinc/53/17/18/783531718.db2.gz DKMRBBWQIQPDLT-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946807745 783531719 /nfs/dbraw/zinc/53/17/19/783531719.db2.gz DKMRBBWQIQPDLT-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946807745 783531725 /nfs/dbraw/zinc/53/17/25/783531725.db2.gz DKMRBBWQIQPDLT-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481756 783837407 /nfs/dbraw/zinc/83/74/07/783837407.db2.gz WVKCIRVVTAOZNN-ROUUACIJSA-N 2 1 329.488 2.057 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035197115 784030368 /nfs/dbraw/zinc/03/03/68/784030368.db2.gz ILYCSJRTVZDKDF-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197115 784030375 /nfs/dbraw/zinc/03/03/75/784030375.db2.gz ILYCSJRTVZDKDF-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197115 784030380 /nfs/dbraw/zinc/03/03/80/784030380.db2.gz ILYCSJRTVZDKDF-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035204738 784055091 /nfs/dbraw/zinc/05/50/91/784055091.db2.gz AMUJLNTYVOGHOR-UHFFFAOYSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035243949 784175196 /nfs/dbraw/zinc/17/51/96/784175196.db2.gz FMZHYLCURZZJPC-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](CC3CC3)CC1)CC2 ZINC001035247845 784187064 /nfs/dbraw/zinc/18/70/64/784187064.db2.gz PYEQHUWADHSLAE-UHFFFAOYSA-N 2 1 343.515 2.056 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135858088 784641192 /nfs/dbraw/zinc/64/11/92/784641192.db2.gz SGFWSEGWPBMIGM-IAGOWNOFSA-N 2 1 347.478 2.392 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135980180 784905734 /nfs/dbraw/zinc/90/57/34/784905734.db2.gz MDTUYQXFSJTXPV-GJZGRUSLSA-N 2 1 348.466 2.412 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]c3c1CCCC3)CC2 ZINC001035750962 785109109 /nfs/dbraw/zinc/10/91/09/785109109.db2.gz IJAQLNOCLHGXLA-UHFFFAOYSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299807 786233595 /nfs/dbraw/zinc/23/35/95/786233595.db2.gz DOFVMHKSOGAJJZ-KSSFIOAISA-N 2 1 325.472 2.212 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107644849 787966592 /nfs/dbraw/zinc/96/65/92/787966592.db2.gz IYTBUYDHVZVBPS-UYAOXDASSA-N 2 1 331.504 2.247 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859477 788823850 /nfs/dbraw/zinc/82/38/50/788823850.db2.gz WQBMCTFVZBAZFQ-YSTOQKLRSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000923288902 789317673 /nfs/dbraw/zinc/31/76/73/789317673.db2.gz MHWZDYVZKNFIBR-BPQIPLTHSA-N 2 1 348.487 2.223 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001091100123 789803113 /nfs/dbraw/zinc/80/31/13/789803113.db2.gz HQPFENOXYFWHCV-ACBHZAAOSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923586201 789828763 /nfs/dbraw/zinc/82/87/63/789828763.db2.gz ZPJHSDDYJAAISW-HXUWFJFHSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923586201 789828770 /nfs/dbraw/zinc/82/87/70/789828770.db2.gz ZPJHSDDYJAAISW-HXUWFJFHSA-N 2 1 339.483 2.112 20 30 EEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001091246673 790196494 /nfs/dbraw/zinc/19/64/94/790196494.db2.gz UQBAOJRACWBCAL-HFPIOELMSA-N 2 1 341.499 2.392 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC000991882704 791256596 /nfs/dbraw/zinc/25/65/96/791256596.db2.gz IJRMACHSRPDZEQ-UYAOXDASSA-N 2 1 342.487 2.451 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC000991882704 791256603 /nfs/dbraw/zinc/25/66/03/791256603.db2.gz IJRMACHSRPDZEQ-UYAOXDASSA-N 2 1 342.487 2.451 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@H]12 ZINC000991882700 791256645 /nfs/dbraw/zinc/25/66/45/791256645.db2.gz IJRMACHSRPDZEQ-AZUAARDMSA-N 2 1 342.487 2.451 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@H]12 ZINC000991882700 791256647 /nfs/dbraw/zinc/25/66/47/791256647.db2.gz IJRMACHSRPDZEQ-AZUAARDMSA-N 2 1 342.487 2.451 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001146593103 791362303 /nfs/dbraw/zinc/36/23/03/791362303.db2.gz OANCNCJLFZTHQG-CABCVRRESA-N 2 1 348.466 2.410 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069770 791770774 /nfs/dbraw/zinc/77/07/74/791770774.db2.gz NCDOSZAIMVVEON-QGZVFWFLSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069770 791770778 /nfs/dbraw/zinc/77/07/78/791770778.db2.gz NCDOSZAIMVVEON-QGZVFWFLSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086953042 793090294 /nfs/dbraw/zinc/09/02/94/793090294.db2.gz XPCNQDZLZFFQKQ-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992254406 793416847 /nfs/dbraw/zinc/41/68/47/793416847.db2.gz BARFMROYQQZKIX-LPHOPBHVSA-N 2 1 328.460 2.143 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992254406 793416851 /nfs/dbraw/zinc/41/68/51/793416851.db2.gz BARFMROYQQZKIX-LPHOPBHVSA-N 2 1 328.460 2.143 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948055451 793424467 /nfs/dbraw/zinc/42/44/67/793424467.db2.gz CGMRRKHYUNBGRU-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3)C[C@]2(C)C1 ZINC001092057265 793523545 /nfs/dbraw/zinc/52/35/45/793523545.db2.gz OOQZCGZPBLHQEH-UXLLHSPISA-N 2 1 336.867 2.367 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092204333 793669859 /nfs/dbraw/zinc/66/98/59/793669859.db2.gz ZPOLYQFFVCFFFB-BEFAXECRSA-N 2 1 328.460 2.118 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092204333 793669863 /nfs/dbraw/zinc/66/98/63/793669863.db2.gz ZPOLYQFFVCFFFB-BEFAXECRSA-N 2 1 328.460 2.118 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cnn(-c4ccncc4)c3)CCC[C@H]12 ZINC000992353151 793776255 /nfs/dbraw/zinc/77/62/55/793776255.db2.gz RHHDJNFWBIDGHN-ICSRJNTNSA-N 2 1 349.438 2.017 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@H]12 ZINC000992353151 793776272 /nfs/dbraw/zinc/77/62/72/793776272.db2.gz RHHDJNFWBIDGHN-ICSRJNTNSA-N 2 1 349.438 2.017 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992364980 793821926 /nfs/dbraw/zinc/82/19/26/793821926.db2.gz BNSOKQJIANWQNG-ICSRJNTNSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001093243502 794861846 /nfs/dbraw/zinc/86/18/46/794861846.db2.gz NDJIQZNOPQQROA-IAGOWNOFSA-N 2 1 345.487 2.442 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093380329 795119344 /nfs/dbraw/zinc/11/93/44/795119344.db2.gz XTLVCPRAPIIJSW-RBUKOAKNSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001093412242 795153390 /nfs/dbraw/zinc/15/33/90/795153390.db2.gz YUVRAHXMPOYYMS-ZJRDLVKKSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842525 795425395 /nfs/dbraw/zinc/42/53/95/795425395.db2.gz QKVYPWFIDGEBIM-VQTJNVASSA-N 2 1 339.483 2.308 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCO[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108033956 796069590 /nfs/dbraw/zinc/06/95/90/796069590.db2.gz PSIZERCYSPNENR-LPHOPBHVSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108033956 796069595 /nfs/dbraw/zinc/06/95/95/796069595.db2.gz PSIZERCYSPNENR-LPHOPBHVSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108033956 796069602 /nfs/dbraw/zinc/06/96/02/796069602.db2.gz PSIZERCYSPNENR-LPHOPBHVSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667404 796074264 /nfs/dbraw/zinc/07/42/64/796074264.db2.gz YCJSRJJHTXPIIP-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456551 796266648 /nfs/dbraw/zinc/26/66/48/796266648.db2.gz ICSDPQICZQYOSA-QKNQBKEWSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456551 796266651 /nfs/dbraw/zinc/26/66/51/796266651.db2.gz ICSDPQICZQYOSA-QKNQBKEWSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456551 796266656 /nfs/dbraw/zinc/26/66/56/796266656.db2.gz ICSDPQICZQYOSA-QKNQBKEWSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094551226 796426167 /nfs/dbraw/zinc/42/61/67/796426167.db2.gz CLUUCXFUYOLWIU-TZIWHRDSSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC001099276227 796635799 /nfs/dbraw/zinc/63/57/99/796635799.db2.gz PIZTYCTWKNYKLM-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993577221 796805527 /nfs/dbraw/zinc/80/55/27/796805527.db2.gz PUZWRFHMODJRNB-ZBFHGGJFSA-N 2 1 325.416 2.036 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001054059894 796994379 /nfs/dbraw/zinc/99/43/79/796994379.db2.gz AFFFTBSIETZTNL-RTBURBONSA-N 2 1 327.472 2.057 20 30 EEEDMP C#CCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001179592437 799998965 /nfs/dbraw/zinc/99/89/65/799998965.db2.gz BPBREKGNOVJZKM-UHFFFAOYSA-N 2 1 343.515 2.450 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001085608215 800894037 /nfs/dbraw/zinc/89/40/37/800894037.db2.gz LSOZXZFETQCHPK-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001085608215 800894043 /nfs/dbraw/zinc/89/40/43/800894043.db2.gz LSOZXZFETQCHPK-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001085608215 800894047 /nfs/dbraw/zinc/89/40/47/800894047.db2.gz LSOZXZFETQCHPK-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001085608215 800894053 /nfs/dbraw/zinc/89/40/53/800894053.db2.gz LSOZXZFETQCHPK-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001085608215 800894067 /nfs/dbraw/zinc/89/40/67/800894067.db2.gz LSOZXZFETQCHPK-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCn2ncc(CNC(=O)[C@H](CC)[NH+](C)C)c2C1 ZINC001128498477 801271120 /nfs/dbraw/zinc/27/11/20/801271120.db2.gz DBRWDFQAYQXAKD-WBVHZDCISA-N 2 1 347.507 2.010 20 30 EEEDMP CC(C)N1CC[C@H]1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001182869313 801379385 /nfs/dbraw/zinc/37/93/85/801379385.db2.gz LZHLZEJBHFINEA-SFHVURJKSA-N 2 1 340.471 2.144 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001004525007 802294421 /nfs/dbraw/zinc/29/44/21/802294421.db2.gz ZCTPCBJMECYXKI-SFHVURJKSA-N 2 1 343.471 2.291 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CCCN3CC#N)CC2)C1 ZINC001004529209 802323895 /nfs/dbraw/zinc/32/38/95/802323895.db2.gz RCIJMZOYIONMFK-MOPGFXCFSA-N 2 1 346.519 2.335 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001004549382 802351047 /nfs/dbraw/zinc/35/10/47/802351047.db2.gz YOERFWNGTGKMAP-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004549382 802351054 /nfs/dbraw/zinc/35/10/54/802351054.db2.gz YOERFWNGTGKMAP-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004549382 802351064 /nfs/dbraw/zinc/35/10/64/802351064.db2.gz YOERFWNGTGKMAP-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001004549331 802351417 /nfs/dbraw/zinc/35/14/17/802351417.db2.gz XHBXTKVIKTXQHC-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004549331 802351422 /nfs/dbraw/zinc/35/14/22/802351422.db2.gz XHBXTKVIKTXQHC-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004549331 802351431 /nfs/dbraw/zinc/35/14/31/802351431.db2.gz XHBXTKVIKTXQHC-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001004549336 802351721 /nfs/dbraw/zinc/35/17/21/802351721.db2.gz XHBXTKVIKTXQHC-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004549336 802351725 /nfs/dbraw/zinc/35/17/25/802351725.db2.gz XHBXTKVIKTXQHC-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004549336 802351737 /nfs/dbraw/zinc/35/17/37/802351737.db2.gz XHBXTKVIKTXQHC-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185225840 802405764 /nfs/dbraw/zinc/40/57/64/802405764.db2.gz MEPQVKDFVUVNQE-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185235094 802435646 /nfs/dbraw/zinc/43/56/46/802435646.db2.gz MCDOTZJGKGXKPS-MSOLQXFVSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946677505 802801671 /nfs/dbraw/zinc/80/16/71/802801671.db2.gz CZGQJSGXMVLJDT-CALCHBBNSA-N 2 1 336.439 2.142 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086658949 812428474 /nfs/dbraw/zinc/42/84/74/812428474.db2.gz GANLJVZCHUAMFP-KFKAGJAMSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001131453873 812853912 /nfs/dbraw/zinc/85/39/12/812853912.db2.gz BPIUWRFNGFRFGQ-QRVBRYPASA-N 2 1 349.519 2.033 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)Cc2ccccc2C#N)CC1 ZINC001506965469 1115015505 /nfs/dbraw/zinc/01/55/05/1115015505.db2.gz LZTNRHPNQHLIIC-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2ccccc2C#N)CC1 ZINC001506965469 1115015509 /nfs/dbraw/zinc/01/55/09/1115015509.db2.gz LZTNRHPNQHLIIC-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)Cc2ccccc2C#N)CC1 ZINC001506965469 1115015513 /nfs/dbraw/zinc/01/55/13/1115015513.db2.gz LZTNRHPNQHLIIC-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000297745347 465268014 /nfs/dbraw/zinc/26/80/14/465268014.db2.gz JYMSJDQCHUAFBN-INIZCTEOSA-N 2 1 348.516 2.139 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)[NH+]1CCSCC1)C(C)C ZINC000152558453 462547415 /nfs/dbraw/zinc/54/74/15/462547415.db2.gz GXHOHJYKICUVFG-DLBZAZTESA-N 2 1 339.549 2.239 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000074877118 462649230 /nfs/dbraw/zinc/64/92/30/462649230.db2.gz GBYZBKKPDQKHID-SFHVURJKSA-N 2 1 348.535 2.400 20 30 EEEDMP C=CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000261898241 463892324 /nfs/dbraw/zinc/89/23/24/463892324.db2.gz VKJPAFJKKAMBPT-MAUKXSAKSA-N 2 1 326.448 2.211 20 30 EEEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@H]1CCOc2ccccc21 ZINC000262849903 464049864 /nfs/dbraw/zinc/04/98/64/464049864.db2.gz SFVZUOFWJHMAAU-RDJZCZTQSA-N 2 1 328.460 2.431 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c(C)[nH]c2ccccc21 ZINC000264300843 464293168 /nfs/dbraw/zinc/29/31/68/464293168.db2.gz RTZJIISYJYWCEJ-OAHLLOKOSA-N 2 1 327.476 2.407 20 30 EEEDMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000264605892 464390837 /nfs/dbraw/zinc/39/08/37/464390837.db2.gz HEZWQDTWUATXTC-SFHVURJKSA-N 2 1 331.460 2.104 20 30 EEEDMP C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248610536 464772671 /nfs/dbraw/zinc/77/26/71/464772671.db2.gz XMQODSDQXXXOBK-QMTMVMCOSA-N 2 1 332.492 2.037 20 30 EEEDMP C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248610536 464772674 /nfs/dbraw/zinc/77/26/74/464772674.db2.gz XMQODSDQXXXOBK-QMTMVMCOSA-N 2 1 332.492 2.037 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000267452695 464933827 /nfs/dbraw/zinc/93/38/27/464933827.db2.gz RXBBOZSCJOTYRG-INIZCTEOSA-N 2 1 348.491 2.025 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000343748069 465548911 /nfs/dbraw/zinc/54/89/11/465548911.db2.gz ZJCHXAWCJIEZCF-KRWDZBQOSA-N 2 1 326.488 2.353 20 30 EEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000360948718 465654909 /nfs/dbraw/zinc/65/49/09/465654909.db2.gz VPLACISPIGROCG-VDZJLULYSA-N 2 1 334.508 2.285 20 30 EEEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310562232 466516216 /nfs/dbraw/zinc/51/62/16/466516216.db2.gz WCAVVXXMPRFLEK-YTQUADARSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310562232 466516225 /nfs/dbraw/zinc/51/62/25/466516225.db2.gz WCAVVXXMPRFLEK-YTQUADARSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310562232 466516231 /nfs/dbraw/zinc/51/62/31/466516231.db2.gz WCAVVXXMPRFLEK-YTQUADARSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310562232 466516239 /nfs/dbraw/zinc/51/62/39/466516239.db2.gz WCAVVXXMPRFLEK-YTQUADARSA-N 2 1 327.472 2.131 20 30 EEEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424138074 466987435 /nfs/dbraw/zinc/98/74/35/466987435.db2.gz BSMQLRMQDKRIAP-SUMWQHHRSA-N 2 1 325.416 2.379 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C#N)CC(C)C)CC2)CC1 ZINC000594287420 468543132 /nfs/dbraw/zinc/54/31/32/468543132.db2.gz WNVQXUAUQVUFPD-KRWDZBQOSA-N 2 1 334.508 2.237 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(C(C)=O)c2)CC1 ZINC000562983996 469123775 /nfs/dbraw/zinc/12/37/75/469123775.db2.gz IKTBGQHXJNHOMN-LJQANCHMSA-N 2 1 346.471 2.259 20 30 EEEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000611392007 469240229 /nfs/dbraw/zinc/24/02/29/469240229.db2.gz IJPFZGFBKLJUSW-MJGOQNOKSA-N 2 1 340.471 2.113 20 30 EEEDMP CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658946 469329152 /nfs/dbraw/zinc/32/91/52/469329152.db2.gz YAUYLNRHZHAFPL-HXUWFJFHSA-N 2 1 342.487 2.379 20 30 EEEDMP CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658946 469329155 /nfs/dbraw/zinc/32/91/55/469329155.db2.gz YAUYLNRHZHAFPL-HXUWFJFHSA-N 2 1 342.487 2.379 20 30 EEEDMP N#CCCNC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127955 577513559 /nfs/dbraw/zinc/51/35/59/577513559.db2.gz GGQAMJODDTUGTH-RTBURBONSA-N 2 1 340.471 2.003 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC)CC1 ZINC001021469422 676117715 /nfs/dbraw/zinc/11/77/15/676117715.db2.gz CKLBCRIATJVNMR-YQQQUEKLSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021683588 676339805 /nfs/dbraw/zinc/33/98/05/676339805.db2.gz ZWEOEKPKPDKBBC-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021683588 676339806 /nfs/dbraw/zinc/33/98/06/676339806.db2.gz ZWEOEKPKPDKBBC-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001022222432 676745206 /nfs/dbraw/zinc/74/52/06/676745206.db2.gz ZSFUMUUPZMKUQG-FFGOWVMKSA-N 2 1 339.483 2.390 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001022222432 676745207 /nfs/dbraw/zinc/74/52/07/676745207.db2.gz ZSFUMUUPZMKUQG-FFGOWVMKSA-N 2 1 339.483 2.390 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624510 681291425 /nfs/dbraw/zinc/29/14/25/681291425.db2.gz UFFAFEXDRYOJMT-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624510 681291431 /nfs/dbraw/zinc/29/14/31/681291431.db2.gz UFFAFEXDRYOJMT-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001028635862 681451622 /nfs/dbraw/zinc/45/16/22/681451622.db2.gz HPGQAWHYISBUHL-WMLDXEAASA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845375 682344021 /nfs/dbraw/zinc/34/40/21/682344021.db2.gz JWGNWHVURQNDDG-HOTGVXAUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845375 682344026 /nfs/dbraw/zinc/34/40/26/682344026.db2.gz JWGNWHVURQNDDG-HOTGVXAUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845375 682344028 /nfs/dbraw/zinc/34/40/28/682344028.db2.gz JWGNWHVURQNDDG-HOTGVXAUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845375 682344030 /nfs/dbraw/zinc/34/40/30/682344030.db2.gz JWGNWHVURQNDDG-HOTGVXAUSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590772 683051413 /nfs/dbraw/zinc/05/14/13/683051413.db2.gz RMPXSRWIMPAWPW-PXNSSMCTSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978800543 693903039 /nfs/dbraw/zinc/90/30/39/693903039.db2.gz RQSGJQYQXGODEH-WCXIOVBPSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978800543 693903041 /nfs/dbraw/zinc/90/30/41/693903041.db2.gz RQSGJQYQXGODEH-WCXIOVBPSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978800543 693903044 /nfs/dbraw/zinc/90/30/44/693903044.db2.gz RQSGJQYQXGODEH-WCXIOVBPSA-N 2 1 339.911 2.296 20 30 EEEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262793374 688479213 /nfs/dbraw/zinc/47/92/13/688479213.db2.gz OZSFXSFRTYPUQG-BBWFWOEESA-N 2 1 336.524 2.229 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000262829450 688552467 /nfs/dbraw/zinc/55/24/67/688552467.db2.gz RDLNOGVOVZKFSS-TYNCELHUSA-N 2 1 340.393 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027446915 692113211 /nfs/dbraw/zinc/11/32/11/692113211.db2.gz XJQUNIJULPTDET-OALUTQOASA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027446915 692113215 /nfs/dbraw/zinc/11/32/15/692113215.db2.gz XJQUNIJULPTDET-OALUTQOASA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027446915 692113218 /nfs/dbraw/zinc/11/32/18/692113218.db2.gz XJQUNIJULPTDET-OALUTQOASA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027446915 692113222 /nfs/dbraw/zinc/11/32/22/692113222.db2.gz XJQUNIJULPTDET-OALUTQOASA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000977391036 692560625 /nfs/dbraw/zinc/56/06/25/692560625.db2.gz SFEMBCOWDCOMIQ-QGZVFWFLSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000977391036 692560630 /nfs/dbraw/zinc/56/06/30/692560630.db2.gz SFEMBCOWDCOMIQ-QGZVFWFLSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3n2)[C@H](C)C1 ZINC000943645553 1192435952 /nfs/dbraw/zinc/43/59/52/1192435952.db2.gz FGUNHIQOTYKYBB-SJLPKXTDSA-N 2 1 338.455 2.035 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001481749141 1182530967 /nfs/dbraw/zinc/53/09/67/1182530967.db2.gz OVLVHMGDXBNKMA-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001481749141 1182530971 /nfs/dbraw/zinc/53/09/71/1182530971.db2.gz OVLVHMGDXBNKMA-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001481749141 1182530977 /nfs/dbraw/zinc/53/09/77/1182530977.db2.gz OVLVHMGDXBNKMA-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001481749141 1182530982 /nfs/dbraw/zinc/53/09/82/1182530982.db2.gz OVLVHMGDXBNKMA-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001481749141 1182530985 /nfs/dbraw/zinc/53/09/85/1182530985.db2.gz OVLVHMGDXBNKMA-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001482064362 1183282642 /nfs/dbraw/zinc/28/26/42/1183282642.db2.gz ITABUSCUKYYWPN-MRXNPFEDSA-N 2 1 345.834 2.214 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105574592 1188188610 /nfs/dbraw/zinc/18/86/10/1188188610.db2.gz BQBFLUWQPVVBQE-OALUTQOASA-N 2 1 345.531 2.493 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001484768343 1191522268 /nfs/dbraw/zinc/52/22/68/1191522268.db2.gz LPYCLXZWZNQFSS-UHFFFAOYSA-N 2 1 339.443 2.044 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001484768343 1191522270 /nfs/dbraw/zinc/52/22/70/1191522270.db2.gz LPYCLXZWZNQFSS-UHFFFAOYSA-N 2 1 339.443 2.044 20 30 EEEDMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1C#N ZINC001485388600 1191775459 /nfs/dbraw/zinc/77/54/59/1191775459.db2.gz NTSAEUOUUQRIJY-QGZVFWFLSA-N 2 1 342.487 2.371 20 30 EEEDMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1C#N ZINC001485388600 1191775461 /nfs/dbraw/zinc/77/54/61/1191775461.db2.gz NTSAEUOUUQRIJY-QGZVFWFLSA-N 2 1 342.487 2.371 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034396239 1196186015 /nfs/dbraw/zinc/18/60/15/1196186015.db2.gz DUSXRCHNWPRIQK-LPHOPBHVSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034396239 1196186017 /nfs/dbraw/zinc/18/60/17/1196186017.db2.gz DUSXRCHNWPRIQK-LPHOPBHVSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034396239 1196186019 /nfs/dbraw/zinc/18/60/19/1196186019.db2.gz DUSXRCHNWPRIQK-LPHOPBHVSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034476521 1196266301 /nfs/dbraw/zinc/26/63/01/1196266301.db2.gz DWMROADDKFNQLD-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001034539258 1196363041 /nfs/dbraw/zinc/36/30/41/1196363041.db2.gz ZSVBJIAFUUIZTR-AFMYVXGZSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034962362 1196943719 /nfs/dbraw/zinc/94/37/19/1196943719.db2.gz KNONIIWWHZTSBJ-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034962362 1196943722 /nfs/dbraw/zinc/94/37/22/1196943722.db2.gz KNONIIWWHZTSBJ-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132409810 1199676619 /nfs/dbraw/zinc/67/66/19/1199676619.db2.gz FIIZTINEHDIQIV-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132409810 1199676621 /nfs/dbraw/zinc/67/66/21/1199676621.db2.gz FIIZTINEHDIQIV-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001132409810 1199676624 /nfs/dbraw/zinc/67/66/24/1199676624.db2.gz FIIZTINEHDIQIV-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001132409810 1199676627 /nfs/dbraw/zinc/67/66/27/1199676627.db2.gz FIIZTINEHDIQIV-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132437318 1199708443 /nfs/dbraw/zinc/70/84/43/1199708443.db2.gz RMUHWAXLQRGLES-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132437318 1199708448 /nfs/dbraw/zinc/70/84/48/1199708448.db2.gz RMUHWAXLQRGLES-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132437318 1199708453 /nfs/dbraw/zinc/70/84/53/1199708453.db2.gz RMUHWAXLQRGLES-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132437318 1199708459 /nfs/dbraw/zinc/70/84/59/1199708459.db2.gz RMUHWAXLQRGLES-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132425510 1199714992 /nfs/dbraw/zinc/71/49/92/1199714992.db2.gz IXHNVPCQLORLJN-ROUUACIJSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001133393033 1200851321 /nfs/dbraw/zinc/85/13/21/1200851321.db2.gz YOGKEEIRHHTHKN-GOSISDBHSA-N 2 1 347.890 2.376 20 30 EEEDMP CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000129315710 1201782209 /nfs/dbraw/zinc/78/22/09/1201782209.db2.gz NSWDKHZXSDXJQF-BXUZGUMPSA-N 2 1 335.521 2.440 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC(C[N@@H+](C)CCCC)CC2)C1 ZINC000890375240 1204843309 /nfs/dbraw/zinc/84/33/09/1204843309.db2.gz SGTUHNXYVVZNOZ-LJQANCHMSA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC(C[N@H+](C)CCCC)CC2)C1 ZINC000890375240 1204843311 /nfs/dbraw/zinc/84/33/11/1204843311.db2.gz SGTUHNXYVVZNOZ-LJQANCHMSA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(C[NH+](C)CCCC)CC2)C1 ZINC000890375240 1204843314 /nfs/dbraw/zinc/84/33/14/1204843314.db2.gz SGTUHNXYVVZNOZ-LJQANCHMSA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(C[NH+](C)CCCC)CC2)C1 ZINC000890375240 1204843317 /nfs/dbraw/zinc/84/33/17/1204843317.db2.gz SGTUHNXYVVZNOZ-LJQANCHMSA-N 2 1 348.535 2.238 20 30 EEEDMP C=CCN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(C[NH+](C)C)c3)C2)C1=O ZINC001274493084 1205057394 /nfs/dbraw/zinc/05/73/94/1205057394.db2.gz ZVKXNHLUCUWVAX-HXUWFJFHSA-N 2 1 345.462 2.498 20 30 EEEDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001275588370 1205432780 /nfs/dbraw/zinc/43/27/80/1205432780.db2.gz BLQLIXVWDGGKJQ-UHFFFAOYSA-N 2 1 332.517 2.469 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(C#N)c1Cl)C2 ZINC001276127265 1205790185 /nfs/dbraw/zinc/79/01/85/1205790185.db2.gz CRNDMSUHDAMMGV-PBHICJAKSA-N 2 1 332.879 2.279 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111022638 1207520861 /nfs/dbraw/zinc/52/08/61/1207520861.db2.gz RYWUORSMRLKLFU-ISARSNTHSA-N 2 1 342.487 2.442 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111022638 1207520863 /nfs/dbraw/zinc/52/08/63/1207520863.db2.gz RYWUORSMRLKLFU-ISARSNTHSA-N 2 1 342.487 2.442 20 30 EEEDMP C[NH+]=C(NCc1c(C)noc1C)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000155814365 1208336532 /nfs/dbraw/zinc/33/65/32/1208336532.db2.gz XRGPIJDEZAZSFH-ZDUSSCGKSA-N 2 1 335.496 2.467 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770075 1209363424 /nfs/dbraw/zinc/36/34/24/1209363424.db2.gz FKLGBFPAVQMURM-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770075 1209363426 /nfs/dbraw/zinc/36/34/26/1209363426.db2.gz FKLGBFPAVQMURM-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCSCc1ccccc1F ZINC000303780763 1213905283 /nfs/dbraw/zinc/90/52/83/1213905283.db2.gz LPEYDWARASYYNC-HNNXBMFYSA-N 2 1 338.496 2.448 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000303793036 1213905913 /nfs/dbraw/zinc/90/59/13/1213905913.db2.gz YVVAVDSCTJXGKV-RBUKOAKNSA-N 3 1 343.519 2.212 20 30 EEEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)N1CCCC1 ZINC000303793036 1213905921 /nfs/dbraw/zinc/90/59/21/1213905921.db2.gz YVVAVDSCTJXGKV-RBUKOAKNSA-N 2 1 343.519 2.212 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)N1CCCC1 ZINC000303793036 1213905926 /nfs/dbraw/zinc/90/59/26/1213905926.db2.gz YVVAVDSCTJXGKV-RBUKOAKNSA-N 2 1 343.519 2.212 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(=C)C)CC2 ZINC000957561144 1215211907 /nfs/dbraw/zinc/21/19/07/1215211907.db2.gz GLKSEXDVQLBFPG-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(=C)C)CC2 ZINC000957561144 1215211911 /nfs/dbraw/zinc/21/19/11/1215211911.db2.gz GLKSEXDVQLBFPG-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304740569 1216102418 /nfs/dbraw/zinc/10/24/18/1216102418.db2.gz BSNDJQYPMJKZFX-ZDUSSCGKSA-N 2 1 344.381 2.331 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000961364907 1217159363 /nfs/dbraw/zinc/15/93/63/1217159363.db2.gz BDOFTKOLAABZSG-SLFFLAALSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961364907 1217159365 /nfs/dbraw/zinc/15/93/65/1217159365.db2.gz BDOFTKOLAABZSG-SLFFLAALSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961364907 1217159368 /nfs/dbraw/zinc/15/93/68/1217159368.db2.gz BDOFTKOLAABZSG-SLFFLAALSA-N 2 1 345.531 2.301 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000961991576 1217440310 /nfs/dbraw/zinc/44/03/10/1217440310.db2.gz FVCJDUOSCHKXLT-CTWPCTMYSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC000963962122 1218156136 /nfs/dbraw/zinc/15/61/36/1218156136.db2.gz ZURDTXBKANPOIA-FCOWATRHSA-N 2 1 343.515 2.291 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC000963962122 1218156138 /nfs/dbraw/zinc/15/61/38/1218156138.db2.gz ZURDTXBKANPOIA-FCOWATRHSA-N 2 1 343.515 2.291 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968327902 1221212097 /nfs/dbraw/zinc/21/20/97/1221212097.db2.gz UNTPDGDSQKELSF-YJBOKZPZSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968327902 1221212100 /nfs/dbraw/zinc/21/21/00/1221212100.db2.gz UNTPDGDSQKELSF-YJBOKZPZSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000968890535 1221649560 /nfs/dbraw/zinc/64/95/60/1221649560.db2.gz JYBKSSKDQIRKNP-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000968890535 1221649562 /nfs/dbraw/zinc/64/95/62/1221649562.db2.gz JYBKSSKDQIRKNP-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000968890535 1221649566 /nfs/dbraw/zinc/64/95/66/1221649566.db2.gz JYBKSSKDQIRKNP-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039132586 1230341358 /nfs/dbraw/zinc/34/13/58/1230341358.db2.gz AJZZPMQXBKYSBU-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039132586 1230341361 /nfs/dbraw/zinc/34/13/61/1230341361.db2.gz AJZZPMQXBKYSBU-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039132586 1230341364 /nfs/dbraw/zinc/34/13/64/1230341364.db2.gz AJZZPMQXBKYSBU-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132386 1230341586 /nfs/dbraw/zinc/34/15/86/1230341586.db2.gz JGJNYTZQPAGOED-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132386 1230341591 /nfs/dbraw/zinc/34/15/91/1230341591.db2.gz JGJNYTZQPAGOED-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132386 1230341594 /nfs/dbraw/zinc/34/15/94/1230341594.db2.gz JGJNYTZQPAGOED-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001039138921 1230353480 /nfs/dbraw/zinc/35/34/80/1230353480.db2.gz YRXSUMACSDDFIH-WOJBJXKFSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039138921 1230353486 /nfs/dbraw/zinc/35/34/86/1230353486.db2.gz YRXSUMACSDDFIH-WOJBJXKFSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039138921 1230353490 /nfs/dbraw/zinc/35/34/90/1230353490.db2.gz YRXSUMACSDDFIH-WOJBJXKFSA-N 2 1 345.531 2.158 20 30 EEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039165894 1230388569 /nfs/dbraw/zinc/38/85/69/1230388569.db2.gz ULDPFDCMFXNMQW-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039165894 1230388573 /nfs/dbraw/zinc/38/85/73/1230388573.db2.gz ULDPFDCMFXNMQW-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039165894 1230388578 /nfs/dbraw/zinc/38/85/78/1230388578.db2.gz ULDPFDCMFXNMQW-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173471 1230399553 /nfs/dbraw/zinc/39/95/53/1230399553.db2.gz XJAFPNXOQVEHKS-IAGOWNOFSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173471 1230399555 /nfs/dbraw/zinc/39/95/55/1230399555.db2.gz XJAFPNXOQVEHKS-IAGOWNOFSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173471 1230399556 /nfs/dbraw/zinc/39/95/56/1230399556.db2.gz XJAFPNXOQVEHKS-IAGOWNOFSA-N 2 1 339.911 2.251 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001039299089 1230515587 /nfs/dbraw/zinc/51/55/87/1230515587.db2.gz SUEQDINQOIICFY-QBUWPKIASA-N 2 1 331.504 2.243 20 30 EEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001039437771 1230610029 /nfs/dbraw/zinc/61/00/29/1230610029.db2.gz XICOKQZJMMHPIO-JTDSTZFVSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001039437771 1230610031 /nfs/dbraw/zinc/61/00/31/1230610031.db2.gz XICOKQZJMMHPIO-JTDSTZFVSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001039437771 1230610036 /nfs/dbraw/zinc/61/00/36/1230610036.db2.gz XICOKQZJMMHPIO-JTDSTZFVSA-N 2 1 337.483 2.450 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474308 1230638332 /nfs/dbraw/zinc/63/83/32/1230638332.db2.gz AWAIYXRIJZFHDC-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCC)C2 ZINC001040245383 1231130606 /nfs/dbraw/zinc/13/06/06/1231130606.db2.gz SULRHXONIZZGJP-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCC)C2 ZINC001040245383 1231130608 /nfs/dbraw/zinc/13/06/08/1231130608.db2.gz SULRHXONIZZGJP-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCCC)C2 ZINC001040245383 1231130611 /nfs/dbraw/zinc/13/06/11/1231130611.db2.gz SULRHXONIZZGJP-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCCC)C2 ZINC001040245383 1231130613 /nfs/dbraw/zinc/13/06/13/1231130613.db2.gz SULRHXONIZZGJP-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313567 1231164374 /nfs/dbraw/zinc/16/43/74/1231164374.db2.gz LLBORBJCBRMQAU-CTNGQTDRSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464154 1231247427 /nfs/dbraw/zinc/24/74/27/1231247427.db2.gz LYLCIGIGRCJENP-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(=C)C)C3)CC1 ZINC001040543323 1231284414 /nfs/dbraw/zinc/28/44/14/1231284414.db2.gz ORTLAGAJENCERA-OAQYLSRUSA-N 2 1 343.515 2.222 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CCC(C)C)C3)C2)CC1 ZINC001041844149 1231727563 /nfs/dbraw/zinc/72/75/63/1231727563.db2.gz DRUMEWKEHMKGPA-NRFANRHFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847846 1231730645 /nfs/dbraw/zinc/73/06/45/1231730645.db2.gz WDDCWGBOIIYGQH-PZJWPPBQSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847846 1231730647 /nfs/dbraw/zinc/73/06/47/1231730647.db2.gz WDDCWGBOIIYGQH-PZJWPPBQSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042123439 1231904036 /nfs/dbraw/zinc/90/40/36/1231904036.db2.gz SEOICNJRJCAKOW-VQIMIIECSA-N 2 1 336.439 2.202 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254286 1231985295 /nfs/dbraw/zinc/98/52/95/1231985295.db2.gz KEEYQCXVIYXQHQ-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254286 1231985298 /nfs/dbraw/zinc/98/52/98/1231985298.db2.gz KEEYQCXVIYXQHQ-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042308557 1232019641 /nfs/dbraw/zinc/01/96/41/1232019641.db2.gz WMBLQNZIBDTIMS-AZUAARDMSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042368460 1232050098 /nfs/dbraw/zinc/05/00/98/1232050098.db2.gz QMEMAHAAXRLMLV-YLJYHZDGSA-N 2 1 339.483 2.308 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525112 1237861359 /nfs/dbraw/zinc/86/13/59/1237861359.db2.gz LLZSHGJAZSZEDA-FSGKZVOOSA-N 2 1 343.515 2.243 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)C2 ZINC001048525112 1237861375 /nfs/dbraw/zinc/86/13/75/1237861375.db2.gz LLZSHGJAZSZEDA-FSGKZVOOSA-N 2 1 343.515 2.243 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)C2 ZINC001048525112 1237861385 /nfs/dbraw/zinc/86/13/85/1237861385.db2.gz LLZSHGJAZSZEDA-FSGKZVOOSA-N 2 1 343.515 2.243 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=C)C ZINC001049528862 1241259948 /nfs/dbraw/zinc/25/99/48/1241259948.db2.gz IRAIMMAGQKAHRE-OTWHNJEPSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=C)C ZINC001049528862 1241259959 /nfs/dbraw/zinc/25/99/59/1241259959.db2.gz IRAIMMAGQKAHRE-OTWHNJEPSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(=C)C ZINC001049528862 1241259968 /nfs/dbraw/zinc/25/99/68/1241259968.db2.gz IRAIMMAGQKAHRE-OTWHNJEPSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(=C)C ZINC001049528862 1241259976 /nfs/dbraw/zinc/25/99/76/1241259976.db2.gz IRAIMMAGQKAHRE-OTWHNJEPSA-N 2 1 329.488 2.116 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561747 1241424978 /nfs/dbraw/zinc/42/49/78/1241424978.db2.gz QATOXWVWEOIXAL-OALUTQOASA-N 2 1 336.439 2.345 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001049666223 1241818219 /nfs/dbraw/zinc/81/82/19/1241818219.db2.gz XTKRHFZXJPIQGL-GBESFXJTSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049666223 1241818222 /nfs/dbraw/zinc/81/82/22/1241818222.db2.gz XTKRHFZXJPIQGL-GBESFXJTSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049666223 1241818226 /nfs/dbraw/zinc/81/82/26/1241818226.db2.gz XTKRHFZXJPIQGL-GBESFXJTSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1F ZINC001001518823 1242422678 /nfs/dbraw/zinc/42/26/78/1242422678.db2.gz DWEHCEYQHPZYKF-IBGZPJMESA-N 2 1 343.446 2.039 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1F ZINC001001518823 1242422684 /nfs/dbraw/zinc/42/26/84/1242422684.db2.gz DWEHCEYQHPZYKF-IBGZPJMESA-N 2 1 343.446 2.039 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](C[C@H](C)CC)C[C@H]32)CC1 ZINC001050208378 1243124965 /nfs/dbraw/zinc/12/49/65/1243124965.db2.gz JECPAQXRYATTJE-YZGWKJHDSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050542257 1243813773 /nfs/dbraw/zinc/81/37/73/1243813773.db2.gz BGJDAIHOIVMIKX-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097858819 1244697947 /nfs/dbraw/zinc/69/79/47/1244697947.db2.gz YGPKMTVIJQLAQZ-AHCXZYCDSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097858819 1244697950 /nfs/dbraw/zinc/69/79/50/1244697950.db2.gz YGPKMTVIJQLAQZ-AHCXZYCDSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052704108 1244790616 /nfs/dbraw/zinc/79/06/16/1244790616.db2.gz ZSPNKBIXQVDUNC-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704108 1244790621 /nfs/dbraw/zinc/79/06/21/1244790621.db2.gz ZSPNKBIXQVDUNC-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704108 1244790624 /nfs/dbraw/zinc/79/06/24/1244790624.db2.gz ZSPNKBIXQVDUNC-MAUKXSAKSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@@H+]3C)cccc2C1 ZINC001051283880 1245477022 /nfs/dbraw/zinc/47/70/22/1245477022.db2.gz PZBQHBPCBHGJLF-IBGZPJMESA-N 2 1 327.472 2.331 20 30 EEEDMP C=CCC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001051283880 1245477027 /nfs/dbraw/zinc/47/70/27/1245477027.db2.gz PZBQHBPCBHGJLF-IBGZPJMESA-N 2 1 327.472 2.331 20 30 EEEDMP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001051283880 1245477032 /nfs/dbraw/zinc/47/70/32/1245477032.db2.gz PZBQHBPCBHGJLF-IBGZPJMESA-N 2 1 327.472 2.331 20 30 EEEDMP C#CC[N@@H+]1CCc2c(CNC(=O)c3ccn4c[nH+]cc4c3)cccc2C1 ZINC001051293459 1245492202 /nfs/dbraw/zinc/49/22/02/1245492202.db2.gz RALCEIUMFFZFEA-UHFFFAOYSA-N 2 1 344.418 2.256 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290550 1245618601 /nfs/dbraw/zinc/61/86/01/1245618601.db2.gz YBORYSALRSTQAE-MJGOQNOKSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053038708 1245740445 /nfs/dbraw/zinc/74/04/45/1245740445.db2.gz ANYNMPPONIXXGB-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051334 1245772882 /nfs/dbraw/zinc/77/28/82/1245772882.db2.gz NWRAZBOGLTUEES-OALUTQOASA-N 2 1 343.515 2.056 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001101595814 1246003601 /nfs/dbraw/zinc/00/36/01/1246003601.db2.gz UYKKDLQMECPFKN-UHFFFAOYSA-N 2 1 330.476 2.069 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)O2 ZINC001053651733 1246592316 /nfs/dbraw/zinc/59/23/16/1246592316.db2.gz KDBYTQAGJZUOJN-OKZBNKHCSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380965 1247160867 /nfs/dbraw/zinc/16/08/67/1247160867.db2.gz GUYVRUSWUCPUDE-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052380965 1247160871 /nfs/dbraw/zinc/16/08/71/1247160871.db2.gz GUYVRUSWUCPUDE-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052380965 1247160873 /nfs/dbraw/zinc/16/08/73/1247160873.db2.gz GUYVRUSWUCPUDE-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052457456 1247330173 /nfs/dbraw/zinc/33/01/73/1247330173.db2.gz RPBMUEADAPMHSM-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052457456 1247330180 /nfs/dbraw/zinc/33/01/80/1247330180.db2.gz RPBMUEADAPMHSM-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052457456 1247330191 /nfs/dbraw/zinc/33/01/91/1247330191.db2.gz RPBMUEADAPMHSM-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052457456 1247330201 /nfs/dbraw/zinc/33/02/01/1247330201.db2.gz RPBMUEADAPMHSM-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052657977 1247792615 /nfs/dbraw/zinc/79/26/15/1247792615.db2.gz BWLDIJNIZPCDPK-JYJNAYRXSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052657977 1247792619 /nfs/dbraw/zinc/79/26/19/1247792619.db2.gz BWLDIJNIZPCDPK-JYJNAYRXSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052657977 1247792625 /nfs/dbraw/zinc/79/26/25/1247792625.db2.gz BWLDIJNIZPCDPK-JYJNAYRXSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245603 1247866355 /nfs/dbraw/zinc/86/63/55/1247866355.db2.gz WNECTLUGHDKEDB-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099353625 1258096019 /nfs/dbraw/zinc/09/60/19/1258096019.db2.gz DQFZFTMZXWYLER-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099522960 1258190074 /nfs/dbraw/zinc/19/00/74/1258190074.db2.gz XSNIHNWXXCWDFZ-MANSERQUSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916665 1282234502 /nfs/dbraw/zinc/23/45/02/1282234502.db2.gz BKDITQFOHWNETK-MSOLQXFVSA-N 2 1 339.524 2.088 20 30 EEEDMP C=CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711414 1283885372 /nfs/dbraw/zinc/88/53/72/1283885372.db2.gz CWGUTUCJOJVMJZ-FPOVZHCZSA-N 2 1 341.499 2.442 20 30 EEEDMP C=C(C)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198959404 1285442778 /nfs/dbraw/zinc/44/27/78/1285442778.db2.gz AQBFMHLITOGRGL-SJLPKXTDSA-N 2 1 345.487 2.360 20 30 EEEDMP C=CC[NH2+][C@H](CNC(=O)CC[N@H+](C)CCC)c1ccccc1OC ZINC001198968998 1285451253 /nfs/dbraw/zinc/45/12/53/1285451253.db2.gz RCVMGXPZZXFDSX-QGZVFWFLSA-N 2 1 333.476 2.360 20 30 EEEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198985542 1285474087 /nfs/dbraw/zinc/47/40/87/1285474087.db2.gz ZPZYPWAURCQHHP-AEFFLSMTSA-N 2 1 345.487 2.360 20 30 EEEDMP C=CCCCC[N@@H+]1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001276888064 1300118881 /nfs/dbraw/zinc/11/88/81/1300118881.db2.gz SEPJQCZCVTUAQV-UHFFFAOYSA-N 2 1 346.475 2.213 20 30 EEEDMP C=CCCCC[N@H+]1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001276888064 1300118885 /nfs/dbraw/zinc/11/88/85/1300118885.db2.gz SEPJQCZCVTUAQV-UHFFFAOYSA-N 2 1 346.475 2.213 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC/C=C/CC)CC1 ZINC001223495443 1300153903 /nfs/dbraw/zinc/15/39/03/1300153903.db2.gz PHNUEGKGEITUEE-UEKDZROGSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC/C=C/CC)CC1 ZINC001223495443 1300153909 /nfs/dbraw/zinc/15/39/09/1300153909.db2.gz PHNUEGKGEITUEE-UEKDZROGSA-N 2 1 331.504 2.269 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109452 1300323455 /nfs/dbraw/zinc/32/34/55/1300323455.db2.gz LCNMEUYMGYFUEL-BZUAXINKSA-N 2 1 348.491 2.389 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109452 1300323465 /nfs/dbraw/zinc/32/34/65/1300323465.db2.gz LCNMEUYMGYFUEL-BZUAXINKSA-N 2 1 348.491 2.389 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001102473989 1301117789 /nfs/dbraw/zinc/11/77/89/1301117789.db2.gz ZPLUSLFKRTYPMJ-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1)C1CC1 ZINC001227818373 1301976559 /nfs/dbraw/zinc/97/65/59/1301976559.db2.gz VMXVIXACXARVEP-QGZVFWFLSA-N 2 1 346.500 2.041 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359169 1302808211 /nfs/dbraw/zinc/80/82/11/1302808211.db2.gz MYNGNJVRJPYMAQ-GUDVDZBRSA-N 2 1 333.520 2.206 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359169 1302808227 /nfs/dbraw/zinc/80/82/27/1302808227.db2.gz MYNGNJVRJPYMAQ-GUDVDZBRSA-N 2 1 333.520 2.206 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359169 1302808252 /nfs/dbraw/zinc/80/82/52/1302808252.db2.gz MYNGNJVRJPYMAQ-GUDVDZBRSA-N 2 1 333.520 2.206 20 30 EEEDMP CCC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001230101640 1303059460 /nfs/dbraw/zinc/05/94/60/1303059460.db2.gz WCWBGHLQXJLABG-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001230101640 1303059477 /nfs/dbraw/zinc/05/94/77/1303059477.db2.gz WCWBGHLQXJLABG-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821417 1303942389 /nfs/dbraw/zinc/94/23/89/1303942389.db2.gz UFSHOEUOQDBHMQ-PXNSSMCTSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001234415362 1304914549 /nfs/dbraw/zinc/91/45/49/1304914549.db2.gz SKENKDBWDSRCPT-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001234415362 1304914553 /nfs/dbraw/zinc/91/45/53/1304914553.db2.gz SKENKDBWDSRCPT-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001234415362 1304914558 /nfs/dbraw/zinc/91/45/58/1304914558.db2.gz SKENKDBWDSRCPT-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001234415362 1304914565 /nfs/dbraw/zinc/91/45/65/1304914565.db2.gz SKENKDBWDSRCPT-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP N#Cc1c2c(cnc1-c1ccc(C[NH+]3CCOCC3)cc1)C[NH2+]CCC2 ZINC001240473346 1309332975 /nfs/dbraw/zinc/33/29/75/1309332975.db2.gz KOHIBIRNSMSRDO-UHFFFAOYSA-N 2 1 348.450 2.488 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421948 1309524006 /nfs/dbraw/zinc/52/40/06/1309524006.db2.gz GVNAFBMZANJDRV-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120430923 1309533431 /nfs/dbraw/zinc/53/34/31/1309533431.db2.gz OJGPFMIGXUWYHC-ZWKOTPCHSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120430923 1309533439 /nfs/dbraw/zinc/53/34/39/1309533439.db2.gz OJGPFMIGXUWYHC-ZWKOTPCHSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120430923 1309533448 /nfs/dbraw/zinc/53/34/48/1309533448.db2.gz OJGPFMIGXUWYHC-ZWKOTPCHSA-N 2 1 333.520 2.301 20 30 EEEDMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@@H+]([C@H](C)CCCC#N)C2 ZINC001246667547 1310375949 /nfs/dbraw/zinc/37/59/49/1310375949.db2.gz GYAGUQBBUNHJIX-YUELXQCFSA-N 2 1 347.381 2.086 20 30 EEEDMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@H+]([C@H](C)CCCC#N)C2 ZINC001246667547 1310375954 /nfs/dbraw/zinc/37/59/54/1310375954.db2.gz GYAGUQBBUNHJIX-YUELXQCFSA-N 2 1 347.381 2.086 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149847708 1316065778 /nfs/dbraw/zinc/06/57/78/1316065778.db2.gz HVXYRAFTEOJSTK-IAGOWNOFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001150386108 1316251105 /nfs/dbraw/zinc/25/11/05/1316251105.db2.gz KALJZWACVODRHX-KRWDZBQOSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001150386108 1316251113 /nfs/dbraw/zinc/25/11/13/1316251113.db2.gz KALJZWACVODRHX-KRWDZBQOSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001153802926 1316886975 /nfs/dbraw/zinc/88/69/75/1316886975.db2.gz NHLGQFYFQLQAOF-AEFFLSMTSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001153802926 1316886978 /nfs/dbraw/zinc/88/69/78/1316886978.db2.gz NHLGQFYFQLQAOF-AEFFLSMTSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001153802926 1316886979 /nfs/dbraw/zinc/88/69/79/1316886979.db2.gz NHLGQFYFQLQAOF-AEFFLSMTSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCC1 ZINC001153868431 1316904906 /nfs/dbraw/zinc/90/49/06/1316904906.db2.gz RUIGJDFWAAITHP-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC1CCCC1 ZINC001153868431 1316904908 /nfs/dbraw/zinc/90/49/08/1316904908.db2.gz RUIGJDFWAAITHP-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCC1 ZINC001153868431 1316904911 /nfs/dbraw/zinc/90/49/11/1316904911.db2.gz RUIGJDFWAAITHP-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC1CCCC1 ZINC001153868431 1316904913 /nfs/dbraw/zinc/90/49/13/1316904913.db2.gz RUIGJDFWAAITHP-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC1CCCC1 ZINC001153868431 1316904914 /nfs/dbraw/zinc/90/49/14/1316904914.db2.gz RUIGJDFWAAITHP-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCCC1(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)N=N1 ZINC001252951465 1317739161 /nfs/dbraw/zinc/73/91/61/1317739161.db2.gz NLAJMEQJDKMFHB-GOSISDBHSA-N 2 1 326.444 2.179 20 30 EEEDMP C#CCCC1(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)N=N1 ZINC001252951465 1317739165 /nfs/dbraw/zinc/73/91/65/1317739165.db2.gz NLAJMEQJDKMFHB-GOSISDBHSA-N 2 1 326.444 2.179 20 30 EEEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001253243796 1317807372 /nfs/dbraw/zinc/80/73/72/1317807372.db2.gz ZQMRCHQOWYWYDO-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001253243796 1317807392 /nfs/dbraw/zinc/80/73/92/1317807392.db2.gz ZQMRCHQOWYWYDO-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C[C@@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001253576959 1317884855 /nfs/dbraw/zinc/88/48/55/1317884855.db2.gz JDIHHBIFTIOZJA-JKSUJKDBSA-N 2 1 336.501 2.350 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156199685 1317917089 /nfs/dbraw/zinc/91/70/89/1317917089.db2.gz FFZYMFPMXSHLJT-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(C#N)c1 ZINC001156199685 1317917093 /nfs/dbraw/zinc/91/70/93/1317917093.db2.gz FFZYMFPMXSHLJT-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C#N)c1 ZINC001156199685 1317917097 /nfs/dbraw/zinc/91/70/97/1317917097.db2.gz FFZYMFPMXSHLJT-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255663292 1318508416 /nfs/dbraw/zinc/50/84/16/1318508416.db2.gz CMDKNUNOXVRDPG-QBUWPKIASA-N 2 1 341.499 2.497 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255663292 1318508424 /nfs/dbraw/zinc/50/84/24/1318508424.db2.gz CMDKNUNOXVRDPG-QBUWPKIASA-N 2 1 341.499 2.497 20 30 EEEDMP C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001258909846 1319371871 /nfs/dbraw/zinc/37/18/71/1319371871.db2.gz JSMWWZQJFWGSBL-AEFFLSMTSA-N 2 1 349.523 2.427 20 30 EEEDMP C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001258909846 1319371879 /nfs/dbraw/zinc/37/18/79/1319371879.db2.gz JSMWWZQJFWGSBL-AEFFLSMTSA-N 2 1 349.523 2.427 20 30 EEEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001159725050 1319964950 /nfs/dbraw/zinc/96/49/50/1319964950.db2.gz BRSBJOSRWRUQIO-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001159725050 1319964951 /nfs/dbraw/zinc/96/49/51/1319964951.db2.gz BRSBJOSRWRUQIO-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159725050 1319964955 /nfs/dbraw/zinc/96/49/55/1319964955.db2.gz BRSBJOSRWRUQIO-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159725050 1319964956 /nfs/dbraw/zinc/96/49/56/1319964956.db2.gz BRSBJOSRWRUQIO-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001160209218 1320100126 /nfs/dbraw/zinc/10/01/26/1320100126.db2.gz DOOFIWUUTGCINO-MJGOQNOKSA-N 2 1 327.472 2.250 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001160209218 1320100129 /nfs/dbraw/zinc/10/01/29/1320100129.db2.gz DOOFIWUUTGCINO-MJGOQNOKSA-N 2 1 327.472 2.250 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)CCC=C)CC1 ZINC001165545873 1321543600 /nfs/dbraw/zinc/54/36/00/1321543600.db2.gz SLADYKOVUBOQHB-ROUUACIJSA-N 2 1 331.504 2.315 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)CCC=C)CC1 ZINC001165545873 1321543601 /nfs/dbraw/zinc/54/36/01/1321543601.db2.gz SLADYKOVUBOQHB-ROUUACIJSA-N 2 1 331.504 2.315 20 30 EEEDMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC001265023192 1322867410 /nfs/dbraw/zinc/86/74/10/1322867410.db2.gz YPGULGFSGJJUKF-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1F ZINC001265023192 1322867413 /nfs/dbraw/zinc/86/74/13/1322867413.db2.gz YPGULGFSGJJUKF-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1F ZINC001265023192 1322867417 /nfs/dbraw/zinc/86/74/17/1322867417.db2.gz YPGULGFSGJJUKF-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC001646520951 1352861905 /nfs/dbraw/zinc/86/19/05/1352861905.db2.gz QMIIKDZPTMTGQH-IRXDYDNUSA-N 2 1 331.460 2.008 20 30 EEEDMP CN1CCC([N@H+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001273827730 1368726571 /nfs/dbraw/zinc/72/65/71/1368726571.db2.gz WHSOHGSZKDGUAN-IBGZPJMESA-N 2 1 332.492 2.089 20 30 EEEDMP C[NH+]1CCC([N@@H+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001273827730 1368726579 /nfs/dbraw/zinc/72/65/79/1368726579.db2.gz WHSOHGSZKDGUAN-IBGZPJMESA-N 2 1 332.492 2.089 20 30 EEEDMP C[NH+]1CCC([N@H+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001273827730 1368726583 /nfs/dbraw/zinc/72/65/83/1368726583.db2.gz WHSOHGSZKDGUAN-IBGZPJMESA-N 2 1 332.492 2.089 20 30 EEEDMP C=CCc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1O ZINC001138627282 1372405047 /nfs/dbraw/zinc/40/50/47/1372405047.db2.gz BQQQUJRMFCWQGW-RBUKOAKNSA-N 2 1 329.488 2.331 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001379764198 1380873212 /nfs/dbraw/zinc/87/32/12/1380873212.db2.gz GBMSUZZAKNVADV-BBRMVZONSA-N 2 1 336.505 2.142 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001379764198 1380873217 /nfs/dbraw/zinc/87/32/17/1380873217.db2.gz GBMSUZZAKNVADV-BBRMVZONSA-N 2 1 336.505 2.142 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001390921539 1388878958 /nfs/dbraw/zinc/87/89/58/1388878958.db2.gz CNXPHUUTVRDEFP-INIZCTEOSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001390921539 1388878959 /nfs/dbraw/zinc/87/89/59/1388878959.db2.gz CNXPHUUTVRDEFP-INIZCTEOSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)s1 ZINC001390921539 1388878961 /nfs/dbraw/zinc/87/89/61/1388878961.db2.gz CNXPHUUTVRDEFP-INIZCTEOSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC001390921539 1388878962 /nfs/dbraw/zinc/87/89/62/1388878962.db2.gz CNXPHUUTVRDEFP-INIZCTEOSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001393605368 1390489841 /nfs/dbraw/zinc/48/98/41/1390489841.db2.gz WPNPEOZCKYGOQC-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001393605368 1390489845 /nfs/dbraw/zinc/48/98/45/1390489845.db2.gz WPNPEOZCKYGOQC-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001393605368 1390489848 /nfs/dbraw/zinc/48/98/48/1390489848.db2.gz WPNPEOZCKYGOQC-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C=CCC[NH2+]C1CCC(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001752853354 1406488602 /nfs/dbraw/zinc/48/86/02/1406488602.db2.gz HAEULEFLUSASSO-UHFFFAOYSA-N 2 1 346.475 2.477 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001399244264 1394872595 /nfs/dbraw/zinc/87/25/95/1394872595.db2.gz JWZPUCVUYOLSJI-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001402247157 1397894487 /nfs/dbraw/zinc/89/44/87/1397894487.db2.gz IIKHUJPJKGURIS-OAHLLOKOSA-N 2 1 325.884 2.194 20 30 EEEDMP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001754865599 1406970469 /nfs/dbraw/zinc/97/04/69/1406970469.db2.gz OBFCIPRRIDWRGI-IPMKNSEASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001754865599 1406970477 /nfs/dbraw/zinc/97/04/77/1406970477.db2.gz OBFCIPRRIDWRGI-IPMKNSEASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001754865599 1406970481 /nfs/dbraw/zinc/97/04/81/1406970481.db2.gz OBFCIPRRIDWRGI-IPMKNSEASA-N 2 1 349.519 2.129 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001423305342 1400510352 /nfs/dbraw/zinc/51/03/52/1400510352.db2.gz FFUMEKFTKIYKKU-GOSISDBHSA-N 2 1 340.471 2.171 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001423340094 1400534998 /nfs/dbraw/zinc/53/49/98/1400534998.db2.gz BDYVHOUXHTVKEW-WBVHZDCISA-N 2 1 335.879 2.450 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001423340094 1400535001 /nfs/dbraw/zinc/53/50/01/1400535001.db2.gz BDYVHOUXHTVKEW-WBVHZDCISA-N 2 1 335.879 2.450 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001755205676 1407219673 /nfs/dbraw/zinc/21/96/73/1407219673.db2.gz WFPJFRPKPAWUHJ-PMACEKPBSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001755445749 1407459922 /nfs/dbraw/zinc/45/99/22/1407459922.db2.gz QEOCZLKHFSBSBR-SJORKVTESA-N 2 1 339.524 2.136 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)CCCn3cc[nH+]c3C)CC2)CC1 ZINC001755869583 1407921987 /nfs/dbraw/zinc/92/19/87/1407921987.db2.gz KPSSZXOANONTPH-UHFFFAOYSA-N 2 1 342.487 2.356 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001112396848 1410896464 /nfs/dbraw/zinc/89/64/64/1410896464.db2.gz HCRIIKOYFNNQCT-DYXWJJEUSA-N 2 1 345.531 2.206 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087791173 782256525 /nfs/dbraw/zinc/25/65/25/782256525.db2.gz ZPXSCRXVVZYBPN-RBUKOAKNSA-N 2 1 331.504 2.101 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001087829582 782332356 /nfs/dbraw/zinc/33/23/56/782332356.db2.gz LYCZBBWBNIXBNO-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087829582 782332366 /nfs/dbraw/zinc/33/23/66/782332366.db2.gz LYCZBBWBNIXBNO-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC(C)C3)[C@@H]2CC)CC1 ZINC001087839928 782347603 /nfs/dbraw/zinc/34/76/03/782347603.db2.gz APMCXMULKIBNCH-ZYKFHVCXSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001112514844 760799522 /nfs/dbraw/zinc/79/95/22/760799522.db2.gz MBYRTBDUZYCTHE-DYXWJJEUSA-N 2 1 345.531 2.350 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001112514845 760799954 /nfs/dbraw/zinc/79/99/54/760799954.db2.gz MBYRTBDUZYCTHE-ZJOUEHCJSA-N 2 1 345.531 2.350 20 30 EEEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167711039 764586315 /nfs/dbraw/zinc/58/63/15/764586315.db2.gz OQTBSTCQZSTSCL-SFHVURJKSA-N 2 1 327.472 2.189 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104793821 765299036 /nfs/dbraw/zinc/29/90/36/765299036.db2.gz KCMAHBQRBGHLFN-SJLPKXTDSA-N 2 1 330.476 2.069 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCC(=C)C)CC1 ZINC000948450021 782603170 /nfs/dbraw/zinc/60/31/70/782603170.db2.gz ZFKJXUQWPBYDMB-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCC(=C)C)CC1 ZINC000948450021 782603173 /nfs/dbraw/zinc/60/31/73/782603173.db2.gz ZFKJXUQWPBYDMB-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC(=C)C)CC1 ZINC000948450021 782603178 /nfs/dbraw/zinc/60/31/78/782603178.db2.gz ZFKJXUQWPBYDMB-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC(=C)C)CC1 ZINC000948450021 782603181 /nfs/dbraw/zinc/60/31/81/782603181.db2.gz ZFKJXUQWPBYDMB-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089473060 769617150 /nfs/dbraw/zinc/61/71/50/769617150.db2.gz QSMKNSLHIILPLL-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473060 769617159 /nfs/dbraw/zinc/61/71/59/769617159.db2.gz QSMKNSLHIILPLL-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473060 769617167 /nfs/dbraw/zinc/61/71/67/769617167.db2.gz QSMKNSLHIILPLL-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509070 770001828 /nfs/dbraw/zinc/00/18/28/770001828.db2.gz DRKZIKOGXIKQQG-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000979715793 770939542 /nfs/dbraw/zinc/93/95/42/770939542.db2.gz RXSKNNYOTVBTOA-GBESFXJTSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942721464 783053536 /nfs/dbraw/zinc/05/35/36/783053536.db2.gz LFFIRYOFIDWBEL-YLJYHZDGSA-N 2 1 341.499 2.254 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210394 783061344 /nfs/dbraw/zinc/06/13/44/783061344.db2.gz JNZKLYWLFHTPEA-UXHICEINSA-N 2 1 339.483 2.165 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212756 783065773 /nfs/dbraw/zinc/06/57/73/783065773.db2.gz NWXGQYPHNPKIIZ-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980220508 774112129 /nfs/dbraw/zinc/11/21/29/774112129.db2.gz ZUMVMTWUPMDDBL-ULQDDVLXSA-N 2 1 340.471 2.001 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001089870020 783166822 /nfs/dbraw/zinc/16/68/22/783166822.db2.gz PLKUETWDIFKYMO-MUGJNUQGSA-N 2 1 345.531 2.463 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C ZINC001027940562 774731572 /nfs/dbraw/zinc/73/15/72/774731572.db2.gz OACZFUYEACNFLB-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089726878 774769019 /nfs/dbraw/zinc/76/90/19/774769019.db2.gz VEOFLSOWSVYUFK-MRXNPFEDSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089726878 774769026 /nfs/dbraw/zinc/76/90/26/774769026.db2.gz VEOFLSOWSVYUFK-MRXNPFEDSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089726877 774769468 /nfs/dbraw/zinc/76/94/68/774769468.db2.gz VEOFLSOWSVYUFK-INIZCTEOSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089726877 774769473 /nfs/dbraw/zinc/76/94/73/774769473.db2.gz VEOFLSOWSVYUFK-INIZCTEOSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000997587552 790356752 /nfs/dbraw/zinc/35/67/52/790356752.db2.gz VEUGRXWVHQONHV-HKUYNNGSSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000981341534 777185886 /nfs/dbraw/zinc/18/58/86/777185886.db2.gz VRZQDIIYOCWWLZ-CABCVRRESA-N 2 1 332.448 2.087 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028102792 777665664 /nfs/dbraw/zinc/66/56/64/777665664.db2.gz GIWJSUUDMFBOHB-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028102792 777665668 /nfs/dbraw/zinc/66/56/68/777665668.db2.gz GIWJSUUDMFBOHB-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC000981861120 778408576 /nfs/dbraw/zinc/40/85/76/778408576.db2.gz CIJINEKTVQPDAJ-UHFFFAOYSA-N 2 1 336.439 2.204 20 30 EEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4nccn4C3)C[C@@]2(C)C1 ZINC000982311859 779685084 /nfs/dbraw/zinc/68/50/84/779685084.db2.gz LYDSIFGMSIJBQC-AHRSYUTCSA-N 2 1 342.487 2.192 20 30 EEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982475455 780524724 /nfs/dbraw/zinc/52/47/24/780524724.db2.gz NCRARQGJRFNDLD-QGZVKYPTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982475455 780524728 /nfs/dbraw/zinc/52/47/28/780524728.db2.gz NCRARQGJRFNDLD-QGZVKYPTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982475455 780524732 /nfs/dbraw/zinc/52/47/32/780524732.db2.gz NCRARQGJRFNDLD-QGZVKYPTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035212743 784131766 /nfs/dbraw/zinc/13/17/66/784131766.db2.gz NIAKUMDSCCZLHR-SFHVURJKSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035720595 785014961 /nfs/dbraw/zinc/01/49/61/785014961.db2.gz LBKJKGCSAVFJKA-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]c3c1CCCC3)CC2 ZINC001035751219 785110027 /nfs/dbraw/zinc/11/00/27/785110027.db2.gz OWZNDCNKFRLMTL-UHFFFAOYSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CC2 ZINC001035794247 785142979 /nfs/dbraw/zinc/14/29/79/785142979.db2.gz BGRJABCBNPKXAV-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000995923204 785823598 /nfs/dbraw/zinc/82/35/98/785823598.db2.gz MAXKLUQPJIFSMU-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000995923204 785823610 /nfs/dbraw/zinc/82/36/10/785823610.db2.gz MAXKLUQPJIFSMU-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1(C)C ZINC000996299840 786234232 /nfs/dbraw/zinc/23/42/32/786234232.db2.gz FJJTWPIWLUFDED-QGZVFWFLSA-N 2 1 346.475 2.287 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000996728491 787318103 /nfs/dbraw/zinc/31/81/03/787318103.db2.gz KHSYWFATZQOYNN-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109653614 805831559 /nfs/dbraw/zinc/83/15/59/805831559.db2.gz ZKARLJNVVOOBBP-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109653614 805831567 /nfs/dbraw/zinc/83/15/67/805831567.db2.gz ZKARLJNVVOOBBP-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CCOCCC[NH+]=C(NC[C@H]1CC[N@H+](C(C)C)C1)NC(C)(C)C ZINC000912499161 788211239 /nfs/dbraw/zinc/21/12/39/788211239.db2.gz MVBMBOKGEDWGJU-MRXNPFEDSA-N 2 1 326.529 2.477 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001091267488 790223758 /nfs/dbraw/zinc/22/37/58/790223758.db2.gz NDTIMGULEJYQAL-GPANFISMSA-N 2 1 327.900 2.486 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146331320 791174901 /nfs/dbraw/zinc/17/49/01/791174901.db2.gz AIFPEUYHFFEBFN-LSDHHAIUSA-N 2 1 339.443 2.136 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146591913 791360554 /nfs/dbraw/zinc/36/05/54/791360554.db2.gz IGGYIWHIYFLMLF-HZPDHXFCSA-N 2 1 330.476 2.271 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998009341 791826036 /nfs/dbraw/zinc/82/60/36/791826036.db2.gz WNIAFQVDLVHSRI-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998021772 791846006 /nfs/dbraw/zinc/84/60/06/791846006.db2.gz HMSKTHLKSFMNDL-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cnc[nH]2)CC[C@H]1C(F)(F)F ZINC000998265374 792385058 /nfs/dbraw/zinc/38/50/58/792385058.db2.gz HJWRHNZMBZPXFE-ZIAGYGMSSA-N 2 1 344.381 2.287 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC000992143460 792903775 /nfs/dbraw/zinc/90/37/75/792903775.db2.gz DOQJIDLUJZYYNV-SZVBFZGTSA-N 2 1 328.460 2.053 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC000992143460 792903782 /nfs/dbraw/zinc/90/37/82/792903782.db2.gz DOQJIDLUJZYYNV-SZVBFZGTSA-N 2 1 328.460 2.053 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010713 793504032 /nfs/dbraw/zinc/50/40/32/793504032.db2.gz KAEHCYMGRJCEEC-INMHGKMJSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010713 793504039 /nfs/dbraw/zinc/50/40/39/793504039.db2.gz KAEHCYMGRJCEEC-INMHGKMJSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010713 793504043 /nfs/dbraw/zinc/50/40/43/793504043.db2.gz KAEHCYMGRJCEEC-INMHGKMJSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010713 793504048 /nfs/dbraw/zinc/50/40/48/793504048.db2.gz KAEHCYMGRJCEEC-INMHGKMJSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4ccnc4)cn3)CCC[C@H]12 ZINC000992393117 793937017 /nfs/dbraw/zinc/93/70/17/793937017.db2.gz CDPPOPSSEIBZOS-ICSRJNTNSA-N 2 1 349.438 2.017 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=C)Cl)CC3)CC1 ZINC000992515745 794473036 /nfs/dbraw/zinc/47/30/36/794473036.db2.gz ZSRWNNBPGIZDTI-MJGOQNOKSA-N 2 1 349.906 2.197 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001093378141 795114167 /nfs/dbraw/zinc/11/41/67/795114167.db2.gz JXFGBAYUBVTSDY-YLJYHZDGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001093378141 795114172 /nfs/dbraw/zinc/11/41/72/795114172.db2.gz JXFGBAYUBVTSDY-YLJYHZDGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001093378141 795114178 /nfs/dbraw/zinc/11/41/78/795114178.db2.gz JXFGBAYUBVTSDY-YLJYHZDGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC001000154973 795347189 /nfs/dbraw/zinc/34/71/89/795347189.db2.gz QCMNSFQISDFBDM-PKOBYXMFSA-N 2 1 343.515 2.245 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334145 795743436 /nfs/dbraw/zinc/74/34/36/795743436.db2.gz DSXXMDATJPIKTG-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334145 795743442 /nfs/dbraw/zinc/74/34/42/795743442.db2.gz DSXXMDATJPIKTG-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334145 795743447 /nfs/dbraw/zinc/74/34/47/795743447.db2.gz DSXXMDATJPIKTG-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)(C)C)CC1 ZINC001032800297 796412264 /nfs/dbraw/zinc/41/22/64/796412264.db2.gz GHYUALZLVOMJHY-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081214014 796673687 /nfs/dbraw/zinc/67/36/87/796673687.db2.gz ZWTBKIBOZSPKLS-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1ccccc1 ZINC001081231840 796702122 /nfs/dbraw/zinc/70/21/22/796702122.db2.gz QOXQCXRHRUTUQM-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C12CCC2 ZINC001078760761 796984545 /nfs/dbraw/zinc/98/45/45/796984545.db2.gz AAFYDQPHXONECM-IRXDYDNUSA-N 2 1 337.427 2.084 20 30 EEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001771821 797188801 /nfs/dbraw/zinc/18/88/01/797188801.db2.gz FNGUCJMRRULKOO-KRWDZBQOSA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015704506 797388907 /nfs/dbraw/zinc/38/89/07/797388907.db2.gz AEYIEFGRNHZDMV-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015704506 797388915 /nfs/dbraw/zinc/38/89/15/797388915.db2.gz AEYIEFGRNHZDMV-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015704506 797388924 /nfs/dbraw/zinc/38/89/24/797388924.db2.gz AEYIEFGRNHZDMV-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082558140 797587654 /nfs/dbraw/zinc/58/76/54/797587654.db2.gz ATZRFMXKRQZTIL-VNQPRFMTSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001084524984 798255709 /nfs/dbraw/zinc/25/57/09/798255709.db2.gz WEBMWYIWIYUDEC-VQIMIIECSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001084524984 798255710 /nfs/dbraw/zinc/25/57/10/798255710.db2.gz WEBMWYIWIYUDEC-VQIMIIECSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001110192162 798311389 /nfs/dbraw/zinc/31/13/89/798311389.db2.gz ZAJCSDKTWYPMRO-QYZOEREBSA-N 2 1 327.472 2.416 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001110192162 798311395 /nfs/dbraw/zinc/31/13/95/798311395.db2.gz ZAJCSDKTWYPMRO-QYZOEREBSA-N 2 1 327.472 2.416 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110192162 798311401 /nfs/dbraw/zinc/31/14/01/798311401.db2.gz ZAJCSDKTWYPMRO-QYZOEREBSA-N 2 1 327.472 2.416 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110192162 798311409 /nfs/dbraw/zinc/31/14/09/798311409.db2.gz ZAJCSDKTWYPMRO-QYZOEREBSA-N 2 1 327.472 2.416 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401552 798383810 /nfs/dbraw/zinc/38/38/10/798383810.db2.gz VFIODIKJKDABIX-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401552 798383815 /nfs/dbraw/zinc/38/38/15/798383815.db2.gz VFIODIKJKDABIX-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401552 798383821 /nfs/dbraw/zinc/38/38/21/798383821.db2.gz VFIODIKJKDABIX-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406184 798417421 /nfs/dbraw/zinc/41/74/21/798417421.db2.gz IIRBEHHUSSRNSY-IAGOWNOFSA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406184 798417425 /nfs/dbraw/zinc/41/74/25/798417425.db2.gz IIRBEHHUSSRNSY-IAGOWNOFSA-N 2 1 342.487 2.391 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048719 798447443 /nfs/dbraw/zinc/44/74/43/798447443.db2.gz BWBLKNCBTWCDAG-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001176844550 798578419 /nfs/dbraw/zinc/57/84/19/798578419.db2.gz KVJLHCWGMOSWPU-CALCHBBNSA-N 2 1 345.462 2.146 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C ZINC001002851276 798722244 /nfs/dbraw/zinc/72/22/44/798722244.db2.gz GBEUVENMMBWBRU-CXAGYDPISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC001002851276 798722248 /nfs/dbraw/zinc/72/22/48/798722248.db2.gz GBEUVENMMBWBRU-CXAGYDPISA-N 2 1 346.500 2.041 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001177169975 798760861 /nfs/dbraw/zinc/76/08/61/798760861.db2.gz JTMBKCGOJZZUGT-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001177169975 798760865 /nfs/dbraw/zinc/76/08/65/798760865.db2.gz JTMBKCGOJZZUGT-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001003007372 799025565 /nfs/dbraw/zinc/02/55/65/799025565.db2.gz HDSNJDVZNMIZMK-OAHLLOKOSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001003007372 799025573 /nfs/dbraw/zinc/02/55/73/799025573.db2.gz HDSNJDVZNMIZMK-OAHLLOKOSA-N 2 1 327.900 2.297 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001179987355 800200416 /nfs/dbraw/zinc/20/04/16/800200416.db2.gz RXJYNXDCNHFQIK-BBRMVZONSA-N 2 1 334.489 2.041 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001182629325 801264940 /nfs/dbraw/zinc/26/49/40/801264940.db2.gz CUPBSXCKXMRRBY-WIYYLYMNSA-N 2 1 343.515 2.421 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC2CC2)CC1 ZINC001004460144 802128139 /nfs/dbraw/zinc/12/81/39/802128139.db2.gz XJHMNHZBEDIJQF-PMACEKPBSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC2CC2)CC1 ZINC001004460144 802128144 /nfs/dbraw/zinc/12/81/44/802128144.db2.gz XJHMNHZBEDIJQF-PMACEKPBSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004460144 802128149 /nfs/dbraw/zinc/12/81/49/802128149.db2.gz XJHMNHZBEDIJQF-PMACEKPBSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004460144 802128154 /nfs/dbraw/zinc/12/81/54/802128154.db2.gz XJHMNHZBEDIJQF-PMACEKPBSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004585743 802424695 /nfs/dbraw/zinc/42/46/95/802424695.db2.gz JZNQJZBHMNLLPK-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642286 802550391 /nfs/dbraw/zinc/55/03/91/802550391.db2.gz CKHXXBWFEWJULP-IYWMVGAKSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642286 802550394 /nfs/dbraw/zinc/55/03/94/802550394.db2.gz CKHXXBWFEWJULP-IYWMVGAKSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642286 802550399 /nfs/dbraw/zinc/55/03/99/802550399.db2.gz CKHXXBWFEWJULP-IYWMVGAKSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735035 802944485 /nfs/dbraw/zinc/94/44/85/802944485.db2.gz GBWWJMDJBSCABX-CADBVGFASA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735035 802944490 /nfs/dbraw/zinc/94/44/90/802944490.db2.gz GBWWJMDJBSCABX-CADBVGFASA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735035 802944494 /nfs/dbraw/zinc/94/44/94/802944494.db2.gz GBWWJMDJBSCABX-CADBVGFASA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086588917 808829574 /nfs/dbraw/zinc/82/95/74/808829574.db2.gz WICREUPLDSKWAW-XUVXKRRUSA-N 2 1 339.483 2.098 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599260 809272318 /nfs/dbraw/zinc/27/23/18/809272318.db2.gz FMCYAWCQJIHQDF-RBUKOAKNSA-N 2 1 338.455 2.352 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599260 809272322 /nfs/dbraw/zinc/27/23/22/809272322.db2.gz FMCYAWCQJIHQDF-RBUKOAKNSA-N 2 1 338.455 2.352 20 30 EEEDMP C[NH+](C)C1(C(=O)NCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CCC1 ZINC001437793726 1090380012 /nfs/dbraw/zinc/38/00/12/1090380012.db2.gz QMVDYTDHBOOITK-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445607733 1091401909 /nfs/dbraw/zinc/40/19/09/1091401909.db2.gz SJVWMOPJOQYWQT-HNNXBMFYSA-N 2 1 339.443 2.173 20 30 EEEDMP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001438824800 1091441657 /nfs/dbraw/zinc/44/16/57/1091441657.db2.gz XAZCYWONJQEARA-QZTJIDSGSA-N 2 1 346.450 2.022 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001439913934 1092987854 /nfs/dbraw/zinc/98/78/54/1092987854.db2.gz YIWUQXAQZIJAPZ-UHFFFAOYSA-N 2 1 327.900 2.442 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001480266911 1099964077 /nfs/dbraw/zinc/96/40/77/1099964077.db2.gz BCYWVEOJTTZBKH-OALUTQOASA-N 2 1 342.487 2.227 20 30 EEEDMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001447320254 1102441535 /nfs/dbraw/zinc/44/15/35/1102441535.db2.gz KPYFFVFDOBPIQD-OALUTQOASA-N 2 1 342.487 2.369 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001447946801 1103665874 /nfs/dbraw/zinc/66/58/74/1103665874.db2.gz JZHAIBAGTVWENQ-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001507128233 1115122758 /nfs/dbraw/zinc/12/27/58/1115122758.db2.gz SZOSKERMHQGQQZ-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001508145650 1115427623 /nfs/dbraw/zinc/42/76/23/1115427623.db2.gz PBDHYNXUDYKKBU-UHFFFAOYSA-N 2 1 346.313 2.206 20 30 EEEDMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1C#N ZINC000374206832 154003697 /nfs/dbraw/zinc/00/36/97/154003697.db2.gz VGJIXJDQZYOIGZ-ZIFCJYIRSA-N 2 1 329.444 2.250 20 30 EEEDMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1C#N ZINC000374206832 154003703 /nfs/dbraw/zinc/00/37/03/154003703.db2.gz VGJIXJDQZYOIGZ-ZIFCJYIRSA-N 2 1 329.444 2.250 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000521576683 468321377 /nfs/dbraw/zinc/32/13/77/468321377.db2.gz OYBSZUCAXQIMMM-GOSISDBHSA-N 2 1 342.487 2.060 20 30 EEEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000076762780 462908642 /nfs/dbraw/zinc/90/86/42/462908642.db2.gz XIYSPHIICMQYJL-QGZVFWFLSA-N 2 1 328.456 2.289 20 30 EEEDMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000052209053 463068146 /nfs/dbraw/zinc/06/81/46/463068146.db2.gz CKGZLLFFNMSJLF-LJQANCHMSA-N 2 1 334.508 2.239 20 30 EEEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000052209053 463068151 /nfs/dbraw/zinc/06/81/51/463068151.db2.gz CKGZLLFFNMSJLF-LJQANCHMSA-N 2 1 334.508 2.239 20 30 EEEDMP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261937464 463905761 /nfs/dbraw/zinc/90/57/61/463905761.db2.gz CSXZXGBFPUVKBN-WBVHZDCISA-N 2 1 342.491 2.036 20 30 EEEDMP C[NH+]=C(NCc1cc(F)ccc1F)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262757196 464044405 /nfs/dbraw/zinc/04/44/05/464044405.db2.gz DUMBPDJBDFXIQD-INIZCTEOSA-N 2 1 342.459 2.067 20 30 EEEDMP C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285493214 464584887 /nfs/dbraw/zinc/58/48/87/464584887.db2.gz MFWMQCHOSXCHLQ-JWTNVVGKSA-N 2 1 326.444 2.444 20 30 EEEDMP C[NH+](CCC(=O)Nc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285493214 464584894 /nfs/dbraw/zinc/58/48/94/464584894.db2.gz MFWMQCHOSXCHLQ-JWTNVVGKSA-N 2 1 326.444 2.444 20 30 EEEDMP C[NH+](CCC(=O)Nc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285493214 464584899 /nfs/dbraw/zinc/58/48/99/464584899.db2.gz MFWMQCHOSXCHLQ-JWTNVVGKSA-N 2 1 326.444 2.444 20 30 EEEDMP CN(CCC#N)c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282524192 464850739 /nfs/dbraw/zinc/85/07/39/464850739.db2.gz YLYXVELKNJLNJS-UHFFFAOYSA-N 2 1 343.519 2.152 20 30 EEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000340196112 465865219 /nfs/dbraw/zinc/86/52/19/465865219.db2.gz VQYKZECFQIQQHF-SFHVURJKSA-N 2 1 331.460 2.500 20 30 EEEDMP CN(Cc1ccc(C#N)cc1F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367116871 466139367 /nfs/dbraw/zinc/13/93/67/466139367.db2.gz IYUMONBDJZRAFG-GOSISDBHSA-N 2 1 330.451 2.298 20 30 EEEDMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000555554280 468483527 /nfs/dbraw/zinc/48/35/27/468483527.db2.gz UZRAGBMDIZFFQH-HUUCEWRRSA-N 2 1 326.448 2.059 20 30 EEEDMP CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000581675515 468497640 /nfs/dbraw/zinc/49/76/40/468497640.db2.gz VSAYNBWXDHBEFU-FUHWJXTLSA-N 2 1 342.487 2.438 20 30 EEEDMP N#Cc1cnn2cc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000582845618 468605200 /nfs/dbraw/zinc/60/52/00/468605200.db2.gz DAWXXYVJCFNWJU-QGZVFWFLSA-N 2 1 346.438 2.213 20 30 EEEDMP N#Cc1cnn2cc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000582845618 468605205 /nfs/dbraw/zinc/60/52/05/468605205.db2.gz DAWXXYVJCFNWJU-QGZVFWFLSA-N 2 1 346.438 2.213 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723882 782132793 /nfs/dbraw/zinc/13/27/93/782132793.db2.gz KNIHQWCOZORPMN-FCEWJHQRSA-N 2 1 337.483 2.191 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723882 782132796 /nfs/dbraw/zinc/13/27/96/782132796.db2.gz KNIHQWCOZORPMN-FCEWJHQRSA-N 2 1 337.483 2.191 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723882 782132799 /nfs/dbraw/zinc/13/27/99/782132799.db2.gz KNIHQWCOZORPMN-FCEWJHQRSA-N 2 1 337.483 2.191 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Br)cs1 ZINC000104174004 529072850 /nfs/dbraw/zinc/07/28/50/529072850.db2.gz KIRDHFPNXCODBL-LLVKDONJSA-N 2 1 345.310 2.399 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039204983 676091474 /nfs/dbraw/zinc/09/14/74/676091474.db2.gz JGOBMPMTXWITAH-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039204983 676091477 /nfs/dbraw/zinc/09/14/77/676091477.db2.gz JGOBMPMTXWITAH-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039204983 676091478 /nfs/dbraw/zinc/09/14/78/676091478.db2.gz JGOBMPMTXWITAH-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C/C=C/Cl)CC1 ZINC001021469738 676118899 /nfs/dbraw/zinc/11/88/99/676118899.db2.gz JVOMUMZVECFGBX-RNZGJBGTSA-N 2 1 349.906 2.196 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021740987 676399873 /nfs/dbraw/zinc/39/98/73/676399873.db2.gz XVFPGAZSTOOCHI-WOJBJXKFSA-N 2 1 339.483 2.308 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972155115 678326252 /nfs/dbraw/zinc/32/62/52/678326252.db2.gz URODVLQOEXNJEJ-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000972155115 678326255 /nfs/dbraw/zinc/32/62/55/678326255.db2.gz URODVLQOEXNJEJ-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC000972155115 678326260 /nfs/dbraw/zinc/32/62/60/678326260.db2.gz URODVLQOEXNJEJ-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC000972155115 678326264 /nfs/dbraw/zinc/32/62/64/678326264.db2.gz URODVLQOEXNJEJ-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000972858422 679825219 /nfs/dbraw/zinc/82/52/19/679825219.db2.gz YBLAISYLGDOTIN-CVEARBPZSA-N 2 1 346.500 2.041 20 30 EEEDMP CN1CCC[C@@H]1C(=O)N[C@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000972858422 679825220 /nfs/dbraw/zinc/82/52/20/679825220.db2.gz YBLAISYLGDOTIN-CVEARBPZSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023647429 679448083 /nfs/dbraw/zinc/44/80/83/679448083.db2.gz ZZRLAUHFAQSCIX-GOSISDBHSA-N 2 1 327.472 2.213 20 30 EEEDMP C=CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000972635997 679472227 /nfs/dbraw/zinc/47/22/27/679472227.db2.gz WKBKPUUXBSYIGS-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023695675 679486273 /nfs/dbraw/zinc/48/62/73/679486273.db2.gz FBORZTMHSMJBMJ-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023695677 679486498 /nfs/dbraw/zinc/48/64/98/679486498.db2.gz FBORZTMHSMJBMJ-RTBURBONSA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001024546694 680078188 /nfs/dbraw/zinc/07/81/88/680078188.db2.gz CAHIBGDASBLAHN-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024570543 681216656 /nfs/dbraw/zinc/21/66/56/681216656.db2.gz LUJHLDAQSSIYKF-IBGZPJMESA-N 2 1 341.499 2.398 20 30 EEEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617597 681282542 /nfs/dbraw/zinc/28/25/42/681282542.db2.gz KGAOKTCSEVITED-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617597 681282547 /nfs/dbraw/zinc/28/25/47/681282547.db2.gz KGAOKTCSEVITED-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617597 681282551 /nfs/dbraw/zinc/28/25/51/681282551.db2.gz KGAOKTCSEVITED-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617597 681282553 /nfs/dbraw/zinc/28/25/53/681282553.db2.gz KGAOKTCSEVITED-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028603634 681360417 /nfs/dbraw/zinc/36/04/17/681360417.db2.gz FZXIRWAHSGTDQZ-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028603634 681360421 /nfs/dbraw/zinc/36/04/21/681360421.db2.gz FZXIRWAHSGTDQZ-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028603634 681360424 /nfs/dbraw/zinc/36/04/24/681360424.db2.gz FZXIRWAHSGTDQZ-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028603634 681360429 /nfs/dbraw/zinc/36/04/29/681360429.db2.gz FZXIRWAHSGTDQZ-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801458 683970247 /nfs/dbraw/zinc/97/02/47/683970247.db2.gz NGQQNAYCVRSGEA-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]12 ZINC001026299549 684219003 /nfs/dbraw/zinc/21/90/03/684219003.db2.gz WOVKVTOJKIADKW-KBAYOESNSA-N 2 1 331.504 2.099 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974660824 685171024 /nfs/dbraw/zinc/17/10/24/685171024.db2.gz DONFEMRWVMJCKY-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000974660824 685171029 /nfs/dbraw/zinc/17/10/29/685171029.db2.gz DONFEMRWVMJCKY-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974665706 685192148 /nfs/dbraw/zinc/19/21/48/685192148.db2.gz SKDASQZJIHHAFW-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000974665706 685192149 /nfs/dbraw/zinc/19/21/49/685192149.db2.gz SKDASQZJIHHAFW-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C(C)(C)C1 ZINC000974665706 685192150 /nfs/dbraw/zinc/19/21/50/685192150.db2.gz SKDASQZJIHHAFW-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001029918210 688292229 /nfs/dbraw/zinc/29/22/29/688292229.db2.gz ZMJWAHDBECOTOS-PMACEKPBSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001029918210 688292233 /nfs/dbraw/zinc/29/22/33/688292233.db2.gz ZMJWAHDBECOTOS-PMACEKPBSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001029918210 688292239 /nfs/dbraw/zinc/29/22/39/688292239.db2.gz ZMJWAHDBECOTOS-PMACEKPBSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001029918210 688292244 /nfs/dbraw/zinc/29/22/44/688292244.db2.gz ZMJWAHDBECOTOS-PMACEKPBSA-N 2 1 339.483 2.207 20 30 EEEDMP C[C@H]1[C@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986355138 688504775 /nfs/dbraw/zinc/50/47/75/688504775.db2.gz LJLIESNALCALIZ-HNAYVOBHSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)C[C@@H]2C)CC1 ZINC000945181454 1193416336 /nfs/dbraw/zinc/41/63/36/1193416336.db2.gz NFXRLEOGSLTMIM-PKOBYXMFSA-N 2 1 331.504 2.124 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001203431518 1188254830 /nfs/dbraw/zinc/25/48/30/1188254830.db2.gz MAACMGNFJJNTIX-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001168321158 1188291074 /nfs/dbraw/zinc/29/10/74/1188291074.db2.gz ZTSRZKCHEKAYHU-UHFFFAOYSA-N 2 1 342.487 2.275 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001033683896 1195064150 /nfs/dbraw/zinc/06/41/50/1195064150.db2.gz JBJVEKBYWVLEOE-IBGZPJMESA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332335 1196102356 /nfs/dbraw/zinc/10/23/56/1196102356.db2.gz XTKLCJFKTGPLOB-LJQANCHMSA-N 2 1 341.499 2.398 20 30 EEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034399316 1196190351 /nfs/dbraw/zinc/19/03/51/1196190351.db2.gz SHWXGZXWXXHBRM-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034399316 1196190354 /nfs/dbraw/zinc/19/03/54/1196190354.db2.gz SHWXGZXWXXHBRM-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034399316 1196190356 /nfs/dbraw/zinc/19/03/56/1196190356.db2.gz SHWXGZXWXXHBRM-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001034492068 1196282135 /nfs/dbraw/zinc/28/21/35/1196282135.db2.gz LKDZBUVCDYTXBO-MRXNPFEDSA-N 2 1 339.443 2.428 20 30 EEEDMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001273143075 1196999311 /nfs/dbraw/zinc/99/93/11/1196999311.db2.gz AZNPCFRPYOXSFK-FQEVSTJZSA-N 2 1 346.519 2.479 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001132273902 1199521532 /nfs/dbraw/zinc/52/15/32/1199521532.db2.gz LPKLBHZZGMTKKQ-PBHICJAKSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001132273902 1199521538 /nfs/dbraw/zinc/52/15/38/1199521538.db2.gz LPKLBHZZGMTKKQ-PBHICJAKSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000877031728 1199849274 /nfs/dbraw/zinc/84/92/74/1199849274.db2.gz UPQWWCWZLVHCII-FUHWJXTLSA-N 2 1 335.492 2.318 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001132986252 1200277900 /nfs/dbraw/zinc/27/79/00/1200277900.db2.gz DMVZOPITFYUVFK-DLBZAZTESA-N 2 1 344.503 2.412 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130306 1204211648 /nfs/dbraw/zinc/21/16/48/1204211648.db2.gz BEDAQSSCXGRHHG-SJORKVTESA-N 2 1 330.476 2.405 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130306 1204211652 /nfs/dbraw/zinc/21/16/52/1204211652.db2.gz BEDAQSSCXGRHHG-SJORKVTESA-N 2 1 330.476 2.405 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130305 1204211666 /nfs/dbraw/zinc/21/16/66/1204211666.db2.gz BEDAQSSCXGRHHG-IRXDYDNUSA-N 2 1 330.476 2.405 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130305 1204211669 /nfs/dbraw/zinc/21/16/69/1204211669.db2.gz BEDAQSSCXGRHHG-IRXDYDNUSA-N 2 1 330.476 2.405 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001095556487 1205873173 /nfs/dbraw/zinc/87/31/73/1205873173.db2.gz UJHJYZJAHUCNCC-OWSLCNJRSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001095556385 1205873298 /nfs/dbraw/zinc/87/32/98/1205873298.db2.gz OWTXJBNDKRXWDK-FYQPLNBISA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948417047 1209125909 /nfs/dbraw/zinc/12/59/09/1209125909.db2.gz VTZTYBGEGYLKCQ-MRXNPFEDSA-N 2 1 333.501 2.369 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2c3ccccc3CC[N@@H+]2CC)CC1 ZINC000948987253 1209491146 /nfs/dbraw/zinc/49/11/46/1209491146.db2.gz VQLVYZMOKOFKES-FQEVSTJZSA-N 2 1 339.483 2.067 20 30 EEEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000949358157 1209649105 /nfs/dbraw/zinc/64/91/05/1209649105.db2.gz FAWCBHJMCMFEMV-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000949358157 1209649107 /nfs/dbraw/zinc/64/91/07/1209649107.db2.gz FAWCBHJMCMFEMV-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000949358157 1209649109 /nfs/dbraw/zinc/64/91/09/1209649109.db2.gz FAWCBHJMCMFEMV-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCC[NH+]1CCCCC1 ZINC000194395364 1211180041 /nfs/dbraw/zinc/18/00/41/1211180041.db2.gz KJLUEOXOJJGOSG-CQSZACIVSA-N 2 1 342.484 2.264 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1C[NH2+]C(C)C ZINC000958792060 1213830438 /nfs/dbraw/zinc/83/04/38/1213830438.db2.gz YUDLGBQUXMFBCR-VQTJNVASSA-N 2 1 339.483 2.208 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1C[NH2+]C(C)C ZINC000958792060 1213830443 /nfs/dbraw/zinc/83/04/43/1213830443.db2.gz YUDLGBQUXMFBCR-VQTJNVASSA-N 2 1 339.483 2.208 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000303793037 1213906534 /nfs/dbraw/zinc/90/65/34/1213906534.db2.gz YVVAVDSCTJXGKV-RTBURBONSA-N 3 1 343.519 2.212 20 30 EEEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)N1CCCC1 ZINC000303793037 1213906546 /nfs/dbraw/zinc/90/65/46/1213906546.db2.gz YVVAVDSCTJXGKV-RTBURBONSA-N 2 1 343.519 2.212 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)N1CCCC1 ZINC000303793037 1213906552 /nfs/dbraw/zinc/90/65/52/1213906552.db2.gz YVVAVDSCTJXGKV-RTBURBONSA-N 2 1 343.519 2.212 20 30 EEEDMP CCc1ccc(NC(=[NH2+])NCCCCN2CC[NH+](CC)CC2)cc1 ZINC000303873713 1213917028 /nfs/dbraw/zinc/91/70/28/1213917028.db2.gz CSCANUBNJKAFOI-UHFFFAOYSA-N 2 1 331.508 2.393 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303899071 1213922584 /nfs/dbraw/zinc/92/25/84/1213922584.db2.gz VXNNPJZLSOOMEQ-IXDOHACOSA-N 3 1 337.556 2.132 20 30 EEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303899071 1213922589 /nfs/dbraw/zinc/92/25/89/1213922589.db2.gz VXNNPJZLSOOMEQ-IXDOHACOSA-N 3 1 337.556 2.132 20 30 EEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303899071 1213922593 /nfs/dbraw/zinc/92/25/93/1213922593.db2.gz VXNNPJZLSOOMEQ-IXDOHACOSA-N 3 1 337.556 2.132 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000304468574 1216043769 /nfs/dbraw/zinc/04/37/69/1216043769.db2.gz CMIHAKRUHULGBV-HKUYNNGSSA-N 3 1 345.535 2.286 20 30 EEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000304468574 1216043776 /nfs/dbraw/zinc/04/37/76/1216043776.db2.gz CMIHAKRUHULGBV-HKUYNNGSSA-N 3 1 345.535 2.286 20 30 EEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000304468574 1216043780 /nfs/dbraw/zinc/04/37/80/1216043780.db2.gz CMIHAKRUHULGBV-HKUYNNGSSA-N 3 1 345.535 2.286 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000961375830 1217163938 /nfs/dbraw/zinc/16/39/38/1217163938.db2.gz XOFYUMOCKROENR-PMACEKPBSA-N 2 1 345.531 2.465 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376819 1217164711 /nfs/dbraw/zinc/16/47/11/1217164711.db2.gz DJDMOWHSWNUZGM-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376819 1217164713 /nfs/dbraw/zinc/16/47/13/1217164713.db2.gz DJDMOWHSWNUZGM-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376819 1217164714 /nfs/dbraw/zinc/16/47/14/1217164714.db2.gz DJDMOWHSWNUZGM-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315203 1217507993 /nfs/dbraw/zinc/50/79/93/1217507993.db2.gz RJMNMFRHTSNYKX-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315203 1217507996 /nfs/dbraw/zinc/50/79/96/1217507996.db2.gz RJMNMFRHTSNYKX-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963315203 1217507998 /nfs/dbraw/zinc/50/79/98/1217507998.db2.gz RJMNMFRHTSNYKX-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337102 1217531635 /nfs/dbraw/zinc/53/16/35/1217531635.db2.gz KTOCKEANZWYYQJ-MSOLQXFVSA-N 2 1 342.487 2.079 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC(C[NH2+]Cc2ccccc2C#N)C1 ZINC000962306525 1217603619 /nfs/dbraw/zinc/60/36/19/1217603619.db2.gz OMTBDDPDSSOVAW-MDCZIUGASA-N 2 1 340.471 2.027 20 30 EEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC000965591427 1219159182 /nfs/dbraw/zinc/15/91/82/1219159182.db2.gz YGSVZBFRYZCOEI-UHFFFAOYSA-N 2 1 337.427 2.084 20 30 EEEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1CC ZINC001037922572 1220346451 /nfs/dbraw/zinc/34/64/51/1220346451.db2.gz BNYKLXROLAYRPR-RDJZCZTQSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968328300 1221212481 /nfs/dbraw/zinc/21/24/81/1221212481.db2.gz ZYRCDEACGMRVNP-MAUKXSAKSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968328300 1221212483 /nfs/dbraw/zinc/21/24/83/1221212483.db2.gz ZYRCDEACGMRVNP-MAUKXSAKSA-N 2 1 346.475 2.287 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000968956687 1221700552 /nfs/dbraw/zinc/70/05/52/1221700552.db2.gz UGEIGGDPFGNURV-QRQLOZEOSA-N 2 1 325.456 2.036 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000968956687 1221700554 /nfs/dbraw/zinc/70/05/54/1221700554.db2.gz UGEIGGDPFGNURV-QRQLOZEOSA-N 2 1 325.456 2.036 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001421 1221730110 /nfs/dbraw/zinc/73/01/10/1221730110.db2.gz AMSLAQYXAWARKA-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969001421 1221730114 /nfs/dbraw/zinc/73/01/14/1221730114.db2.gz AMSLAQYXAWARKA-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024129 1221748628 /nfs/dbraw/zinc/74/86/28/1221748628.db2.gz ZGPHUUUPWAXVDJ-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024129 1221748631 /nfs/dbraw/zinc/74/86/31/1221748631.db2.gz ZGPHUUUPWAXVDJ-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277739 1222731788 /nfs/dbraw/zinc/73/17/88/1222731788.db2.gz VXPSPNKQYJQEGS-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008277739 1222731791 /nfs/dbraw/zinc/73/17/91/1222731791.db2.gz VXPSPNKQYJQEGS-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008277739 1222731794 /nfs/dbraw/zinc/73/17/94/1222731794.db2.gz VXPSPNKQYJQEGS-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016860996 1226928425 /nfs/dbraw/zinc/92/84/25/1226928425.db2.gz MDZJNILNUDTGFA-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016923035 1226973206 /nfs/dbraw/zinc/97/32/06/1226973206.db2.gz HILGILVHOVEVBF-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038866674 1230120816 /nfs/dbraw/zinc/12/08/16/1230120816.db2.gz NKJXOOCUDHZWKS-QGZVFWFLSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038866674 1230120818 /nfs/dbraw/zinc/12/08/18/1230120818.db2.gz NKJXOOCUDHZWKS-QGZVFWFLSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCCC2CCCC2)CC1 ZINC001039042320 1230258964 /nfs/dbraw/zinc/25/89/64/1230258964.db2.gz PXEAJWQZWNVSCJ-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039133343 1230342422 /nfs/dbraw/zinc/34/24/22/1230342422.db2.gz SGNGBJYBUJMFJD-SLFFLAALSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039133343 1230342425 /nfs/dbraw/zinc/34/24/25/1230342425.db2.gz SGNGBJYBUJMFJD-SLFFLAALSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039133343 1230342428 /nfs/dbraw/zinc/34/24/28/1230342428.db2.gz SGNGBJYBUJMFJD-SLFFLAALSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163411 1230385543 /nfs/dbraw/zinc/38/55/43/1230385543.db2.gz CLDYDCVUQXPINX-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163411 1230385547 /nfs/dbraw/zinc/38/55/47/1230385547.db2.gz CLDYDCVUQXPINX-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163411 1230385550 /nfs/dbraw/zinc/38/55/50/1230385550.db2.gz CLDYDCVUQXPINX-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039313667 1230522195 /nfs/dbraw/zinc/52/21/95/1230522195.db2.gz IRRCCESEKQQDRA-RAFMOHDBSA-N 2 1 339.483 2.424 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039387117 1230571968 /nfs/dbraw/zinc/57/19/68/1230571968.db2.gz SVKUFYLWVAUEPB-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039387117 1230571971 /nfs/dbraw/zinc/57/19/71/1230571971.db2.gz SVKUFYLWVAUEPB-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001039387117 1230571976 /nfs/dbraw/zinc/57/19/76/1230571976.db2.gz SVKUFYLWVAUEPB-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001039387117 1230571978 /nfs/dbraw/zinc/57/19/78/1230571978.db2.gz SVKUFYLWVAUEPB-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040275125 1231147094 /nfs/dbraw/zinc/14/70/94/1231147094.db2.gz INYIGTIYSUQIMS-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275125 1231147095 /nfs/dbraw/zinc/14/70/95/1231147095.db2.gz INYIGTIYSUQIMS-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275125 1231147097 /nfs/dbraw/zinc/14/70/97/1231147097.db2.gz INYIGTIYSUQIMS-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040298183 1231157972 /nfs/dbraw/zinc/15/79/72/1231157972.db2.gz VXIFTYLRUGNUTI-HXUWFJFHSA-N 2 1 336.439 2.286 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040421165 1231221326 /nfs/dbraw/zinc/22/13/26/1231221326.db2.gz FVYDAJFCMYUHSI-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040421165 1231221327 /nfs/dbraw/zinc/22/13/27/1231221327.db2.gz FVYDAJFCMYUHSI-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040847850 1231387161 /nfs/dbraw/zinc/38/71/61/1231387161.db2.gz AHFROMXIJYRITP-ROUUACIJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041596750 1231615912 /nfs/dbraw/zinc/61/59/12/1231615912.db2.gz CAQTUFWYDAFDRZ-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041596750 1231615914 /nfs/dbraw/zinc/61/59/14/1231615914.db2.gz CAQTUFWYDAFDRZ-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001045073905 1233486733 /nfs/dbraw/zinc/48/67/33/1233486733.db2.gz SLGXPQLRHAQTHD-OALUTQOASA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001045073905 1233486736 /nfs/dbraw/zinc/48/67/36/1233486736.db2.gz SLGXPQLRHAQTHD-OALUTQOASA-N 2 1 343.446 2.004 20 30 EEEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001045668021 1233896073 /nfs/dbraw/zinc/89/60/73/1233896073.db2.gz YAMUCYXALLZXGW-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045939447 1234194866 /nfs/dbraw/zinc/19/48/66/1234194866.db2.gz BGXGDCVIEMDNJX-TZIWHRDSSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048912209 1239234114 /nfs/dbraw/zinc/23/41/14/1239234114.db2.gz GFYDJTAVPFFLNX-BBWFWOEESA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959380 1239578058 /nfs/dbraw/zinc/57/80/58/1239578058.db2.gz HFFUJKFKRULXPC-OTWHNJEPSA-N 2 1 331.504 2.217 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514407 1241188035 /nfs/dbraw/zinc/18/80/35/1241188035.db2.gz DQQALFHRAYYBAH-GUDVDZBRSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049514407 1241188040 /nfs/dbraw/zinc/18/80/40/1241188040.db2.gz DQQALFHRAYYBAH-GUDVDZBRSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514407 1241188050 /nfs/dbraw/zinc/18/80/50/1241188050.db2.gz DQQALFHRAYYBAH-GUDVDZBRSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001093189 1241629240 /nfs/dbraw/zinc/62/92/40/1241629240.db2.gz IWODXOVGPHNWIZ-KRWDZBQOSA-N 2 1 328.460 2.078 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001093189 1241629253 /nfs/dbraw/zinc/62/92/53/1241629253.db2.gz IWODXOVGPHNWIZ-KRWDZBQOSA-N 2 1 328.460 2.078 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049666221 1241818032 /nfs/dbraw/zinc/81/80/32/1241818032.db2.gz XTKRHFZXJPIQGL-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049666221 1241818036 /nfs/dbraw/zinc/81/80/36/1241818036.db2.gz XTKRHFZXJPIQGL-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049666221 1241818039 /nfs/dbraw/zinc/81/80/39/1241818039.db2.gz XTKRHFZXJPIQGL-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049678455 1241852914 /nfs/dbraw/zinc/85/29/14/1241852914.db2.gz ZPRHLXVQOQPYIF-DLBZAZTESA-N 2 1 329.444 2.043 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049678455 1241852919 /nfs/dbraw/zinc/85/29/19/1241852919.db2.gz ZPRHLXVQOQPYIF-DLBZAZTESA-N 2 1 329.444 2.043 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001049719265 1241984554 /nfs/dbraw/zinc/98/45/54/1241984554.db2.gz LKTACGPPIRCLNP-BHIYHBOVSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001049719265 1241984560 /nfs/dbraw/zinc/98/45/60/1241984560.db2.gz LKTACGPPIRCLNP-BHIYHBOVSA-N 2 1 342.487 2.395 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049764754 1242127216 /nfs/dbraw/zinc/12/72/16/1242127216.db2.gz FGIVAEZQTDYPNQ-CEXWTWQISA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073899216 1242761997 /nfs/dbraw/zinc/76/19/97/1242761997.db2.gz NVRNVGYLGMUYJJ-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899216 1242762008 /nfs/dbraw/zinc/76/20/08/1242762008.db2.gz NVRNVGYLGMUYJJ-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899216 1242762017 /nfs/dbraw/zinc/76/20/17/1242762017.db2.gz NVRNVGYLGMUYJJ-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001050577498 1243877685 /nfs/dbraw/zinc/87/76/85/1243877685.db2.gz STEUQEKRKFATKS-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052958010 1245555120 /nfs/dbraw/zinc/55/51/20/1245555120.db2.gz KSZUKPJZZJPXRL-SFHVURJKSA-N 2 1 327.472 2.356 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053053854 1245781197 /nfs/dbraw/zinc/78/11/97/1245781197.db2.gz DLLYVIZLQGNQAE-QZTJIDSGSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053053854 1245781204 /nfs/dbraw/zinc/78/12/04/1245781204.db2.gz DLLYVIZLQGNQAE-QZTJIDSGSA-N 2 1 330.476 2.328 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105332 1245920853 /nfs/dbraw/zinc/92/08/53/1245920853.db2.gz NDQJVANSMNXHCW-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001054041545 1247201728 /nfs/dbraw/zinc/20/17/28/1247201728.db2.gz NWFCICVWZJVKPH-PMACEKPBSA-N 2 1 339.483 2.057 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001054041545 1247201732 /nfs/dbraw/zinc/20/17/32/1247201732.db2.gz NWFCICVWZJVKPH-PMACEKPBSA-N 2 1 339.483 2.057 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145089 1247517219 /nfs/dbraw/zinc/51/72/19/1247517219.db2.gz JXZXCABODDDIER-WMZOPIPTSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145510 1247518967 /nfs/dbraw/zinc/51/89/67/1247518967.db2.gz QWZQJWXDZYMWDZ-XLIONFOSSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145510 1247518976 /nfs/dbraw/zinc/51/89/76/1247518976.db2.gz QWZQJWXDZYMWDZ-XLIONFOSSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC3CC3)C2)C1 ZINC001054147331 1247524233 /nfs/dbraw/zinc/52/42/33/1247524233.db2.gz OKNUNTONWNXOSD-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC3CC3)C2)C1 ZINC001054147331 1247524240 /nfs/dbraw/zinc/52/42/40/1247524240.db2.gz OKNUNTONWNXOSD-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054147331 1247524249 /nfs/dbraw/zinc/52/42/49/1247524249.db2.gz OKNUNTONWNXOSD-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054147331 1247524257 /nfs/dbraw/zinc/52/42/57/1247524257.db2.gz OKNUNTONWNXOSD-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171599 1247596898 /nfs/dbraw/zinc/59/68/98/1247596898.db2.gz VAOGBCDSHZUKGM-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@H+](CCC=C)C3)C2)CC1 ZINC001054245375 1247859982 /nfs/dbraw/zinc/85/99/82/1247859982.db2.gz STKNZWOEZVQLET-OAQYLSRUSA-N 2 1 343.515 2.222 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099552900 1258201405 /nfs/dbraw/zinc/20/14/05/1258201405.db2.gz QDWYCDWVLUXTJA-OKYOBFRVSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099552900 1258201412 /nfs/dbraw/zinc/20/14/12/1258201412.db2.gz QDWYCDWVLUXTJA-OKYOBFRVSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099552900 1258201418 /nfs/dbraw/zinc/20/14/18/1258201418.db2.gz QDWYCDWVLUXTJA-OKYOBFRVSA-N 2 1 333.520 2.462 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCCCC)C[C@H]32)CC1 ZINC001190319218 1280791235 /nfs/dbraw/zinc/79/12/35/1280791235.db2.gz ZLWZNRUIVPFSMV-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644717 1280992460 /nfs/dbraw/zinc/99/24/60/1280992460.db2.gz KQYNBKMDVDPKGY-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001190644717 1280992461 /nfs/dbraw/zinc/99/24/61/1280992461.db2.gz KQYNBKMDVDPKGY-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001190644717 1280992465 /nfs/dbraw/zinc/99/24/65/1280992465.db2.gz KQYNBKMDVDPKGY-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1OC ZINC001198983872 1285460023 /nfs/dbraw/zinc/46/00/23/1285460023.db2.gz IZSROPPEHCZSAB-KRWDZBQOSA-N 2 1 342.443 2.223 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCCO1 ZINC001201411431 1289559482 /nfs/dbraw/zinc/55/94/82/1289559482.db2.gz QGSXRJIRUAPIPD-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@H]1C ZINC001071828403 1294906418 /nfs/dbraw/zinc/90/64/18/1294906418.db2.gz NZNOMLUSFNYZIB-CVEARBPZSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@H]1C ZINC001071828403 1294906424 /nfs/dbraw/zinc/90/64/24/1294906424.db2.gz NZNOMLUSFNYZIB-CVEARBPZSA-N 2 1 346.475 2.429 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095260 1295236016 /nfs/dbraw/zinc/23/60/16/1295236016.db2.gz GXDHCWNOPNLAFE-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CCCC[NH2+]C1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001202509571 1296345421 /nfs/dbraw/zinc/34/54/21/1296345421.db2.gz CFTLSIGZNACNPD-UHFFFAOYSA-N 2 1 346.475 2.431 20 30 EEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000927166251 1297046348 /nfs/dbraw/zinc/04/63/48/1297046348.db2.gz UTXLVGIWHMEZIJ-WMZOPIPTSA-N 2 1 345.491 2.092 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001074414720 1298105386 /nfs/dbraw/zinc/10/53/86/1298105386.db2.gz DGYUZGVJMRUARV-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001074414720 1298105390 /nfs/dbraw/zinc/10/53/90/1298105390.db2.gz DGYUZGVJMRUARV-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)[C@@H]2C1 ZINC001221942528 1299213959 /nfs/dbraw/zinc/21/39/59/1299213959.db2.gz ONDNSBOIUMQHCE-VAMGGRTRSA-N 2 1 339.483 2.235 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157715 1300445188 /nfs/dbraw/zinc/44/51/88/1300445188.db2.gz NFVKWGXYRSGTKZ-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157715 1300445211 /nfs/dbraw/zinc/44/52/11/1300445211.db2.gz NFVKWGXYRSGTKZ-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224307257 1300539203 /nfs/dbraw/zinc/53/92/03/1300539203.db2.gz YJHIAYYRHYIQEC-MOPGFXCFSA-N 2 1 327.472 2.227 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224307257 1300539218 /nfs/dbraw/zinc/53/92/18/1300539218.db2.gz YJHIAYYRHYIQEC-MOPGFXCFSA-N 2 1 327.472 2.227 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224307257 1300539226 /nfs/dbraw/zinc/53/92/26/1300539226.db2.gz YJHIAYYRHYIQEC-MOPGFXCFSA-N 2 1 327.472 2.227 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224307257 1300539238 /nfs/dbraw/zinc/53/92/38/1300539238.db2.gz YJHIAYYRHYIQEC-MOPGFXCFSA-N 2 1 327.472 2.227 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001225228562 1300935390 /nfs/dbraw/zinc/93/53/90/1300935390.db2.gz QPELTXCYSGBFOI-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480347 1301125197 /nfs/dbraw/zinc/12/51/97/1301125197.db2.gz MCSGTFGCBBZSJI-GDBMZVCRSA-N 2 1 327.900 2.155 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001226774091 1301548662 /nfs/dbraw/zinc/54/86/62/1301548662.db2.gz JTIJADUCWPVUII-GUDVDZBRSA-N 2 1 331.504 2.434 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174550 1302387565 /nfs/dbraw/zinc/38/75/65/1302387565.db2.gz RQGLCBFRVBQUJM-GUDVDZBRSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174550 1302387577 /nfs/dbraw/zinc/38/75/77/1302387577.db2.gz RQGLCBFRVBQUJM-GUDVDZBRSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174550 1302387589 /nfs/dbraw/zinc/38/75/89/1302387589.db2.gz RQGLCBFRVBQUJM-GUDVDZBRSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CCCC[NH+]1CCC(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001229193857 1302664984 /nfs/dbraw/zinc/66/49/84/1302664984.db2.gz QAQKYCFDDWSMHW-UHFFFAOYSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)C1(C[NH+](C)C)CC1)Cc1cccnc1 ZINC001230830114 1303487221 /nfs/dbraw/zinc/48/72/21/1303487221.db2.gz WSMCQATUVPPQMU-UHFFFAOYSA-N 2 1 344.503 2.308 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001115578082 1305413835 /nfs/dbraw/zinc/41/38/35/1305413835.db2.gz YLVRFAILYTVGBL-IRXDYDNUSA-N 2 1 337.483 2.241 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001115578082 1305413847 /nfs/dbraw/zinc/41/38/47/1305413847.db2.gz YLVRFAILYTVGBL-IRXDYDNUSA-N 2 1 337.483 2.241 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001246302398 1310276807 /nfs/dbraw/zinc/27/68/07/1310276807.db2.gz CJIGCXCCDBSGEV-ABHNRTSZSA-N 3 1 339.524 2.456 20 30 EEEDMP C=CCC[C@@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC001247621913 1310651850 /nfs/dbraw/zinc/65/18/50/1310651850.db2.gz BNXKGANFWHPRLD-MRXNPFEDSA-N 2 1 327.432 2.454 20 30 EEEDMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834505688 1314846629 /nfs/dbraw/zinc/84/66/29/1314846629.db2.gz MVMQRSSUIWYMBI-UXHICEINSA-N 2 1 348.450 2.160 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001149946692 1316099223 /nfs/dbraw/zinc/09/92/23/1316099223.db2.gz MBSWUBSNMSLVAD-ROUUACIJSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001151027647 1316433774 /nfs/dbraw/zinc/43/37/74/1316433774.db2.gz ZHWYJJOIZUTEOP-KRWDZBQOSA-N 2 1 337.508 2.034 20 30 EEEDMP C[NH+](C)[C@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC001152522695 1316682859 /nfs/dbraw/zinc/68/28/59/1316682859.db2.gz OWPUCHBGPIXWOS-IBGZPJMESA-N 2 1 336.439 2.067 20 30 EEEDMP C=C[C@@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001253576958 1317885534 /nfs/dbraw/zinc/88/55/34/1317885534.db2.gz JDIHHBIFTIOZJA-HZPDHXFCSA-N 2 1 336.501 2.350 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374570 1317985204 /nfs/dbraw/zinc/98/52/04/1317985204.db2.gz SUXNLZUMKDBGMV-QUCCMNQESA-N 2 1 341.499 2.207 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374570 1317985206 /nfs/dbraw/zinc/98/52/06/1317985206.db2.gz SUXNLZUMKDBGMV-QUCCMNQESA-N 2 1 341.499 2.207 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374570 1317985209 /nfs/dbraw/zinc/98/52/09/1317985209.db2.gz SUXNLZUMKDBGMV-QUCCMNQESA-N 2 1 341.499 2.207 20 30 EEEDMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254663004 1318159847 /nfs/dbraw/zinc/15/98/47/1318159847.db2.gz NJKWNCHYPNSSHN-NCXUSEDFSA-N 2 1 344.503 2.086 20 30 EEEDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3CCC(C#N)CC3)CC2)C1 ZINC001256971684 1318907387 /nfs/dbraw/zinc/90/73/87/1318907387.db2.gz LKORYDUXPXCFRT-AQFXKWCLSA-N 2 1 333.476 2.418 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC001158404754 1319222443 /nfs/dbraw/zinc/22/24/43/1319222443.db2.gz YJFDSYOTJXUJRU-FUHWJXTLSA-N 2 1 346.450 2.024 20 30 EEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001160646891 1320221806 /nfs/dbraw/zinc/22/18/06/1320221806.db2.gz XMDBXEQHTVSTQC-UHFFFAOYSA-N 2 1 337.427 2.205 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001160810857 1320277335 /nfs/dbraw/zinc/27/73/35/1320277335.db2.gz YLRWTUNTIMLNLR-UHFFFAOYSA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160810857 1320277338 /nfs/dbraw/zinc/27/73/38/1320277338.db2.gz YLRWTUNTIMLNLR-UHFFFAOYSA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160810857 1320277344 /nfs/dbraw/zinc/27/73/44/1320277344.db2.gz YLRWTUNTIMLNLR-UHFFFAOYSA-N 2 1 331.504 2.413 20 30 EEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001161029002 1320360010 /nfs/dbraw/zinc/36/00/10/1320360010.db2.gz JNKPUHNGIJRRRO-SFHVURJKSA-N 2 1 342.487 2.468 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001161029002 1320360011 /nfs/dbraw/zinc/36/00/11/1320360011.db2.gz JNKPUHNGIJRRRO-SFHVURJKSA-N 2 1 342.487 2.468 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001161207858 1320419783 /nfs/dbraw/zinc/41/97/83/1320419783.db2.gz XABROCNUBZDTPV-SFHVURJKSA-N 2 1 342.487 2.468 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001161207858 1320419787 /nfs/dbraw/zinc/41/97/87/1320419787.db2.gz XABROCNUBZDTPV-SFHVURJKSA-N 2 1 342.487 2.468 20 30 EEEDMP Cc1cccc(N2CCN(c3ncc4c(c3C#N)CCC[NH2+]C4)CC2)[nH+]1 ZINC001163660025 1321183817 /nfs/dbraw/zinc/18/38/17/1321183817.db2.gz RZFPTAVBURSUSW-UHFFFAOYSA-N 2 1 348.454 2.019 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205284295 1322342086 /nfs/dbraw/zinc/34/20/86/1322342086.db2.gz LIPMOHXLHVUSSA-IAGOWNOFSA-N 2 1 339.911 2.442 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205678552 1323240165 /nfs/dbraw/zinc/24/01/65/1323240165.db2.gz LZMFJABYIUQGFK-VDZJLULYSA-N 2 1 345.462 2.238 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001206890297 1323673121 /nfs/dbraw/zinc/67/31/21/1323673121.db2.gz KIUWZCAEOOFDAH-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](C)C ZINC001207643953 1324064639 /nfs/dbraw/zinc/06/46/39/1324064639.db2.gz TYOXGKLWERCPFH-LZQZEXGQSA-N 2 1 342.487 2.081 20 30 EEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208048265 1324287148 /nfs/dbraw/zinc/28/71/48/1324287148.db2.gz FSFOZECIIVQNMM-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001208331696 1324431844 /nfs/dbraw/zinc/43/18/44/1324431844.db2.gz VZDVOCIQKLRAIV-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)CC1 ZINC001209728850 1325022283 /nfs/dbraw/zinc/02/22/83/1325022283.db2.gz WBXJJBQKCAICJZ-UHFFFAOYSA-N 2 1 344.459 2.495 20 30 EEEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)CC1 ZINC001209728850 1325022289 /nfs/dbraw/zinc/02/22/89/1325022289.db2.gz WBXJJBQKCAICJZ-UHFFFAOYSA-N 2 1 344.459 2.495 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001491891405 1330291841 /nfs/dbraw/zinc/29/18/41/1330291841.db2.gz KBPNXFFBLDTJPM-RBUKOAKNSA-N 2 1 342.487 2.417 20 30 EEEDMP C=CCn1c([C@H]2CCCCN2C)nnc1N1CCN(C)C(C)(C)C1 ZINC001340263746 1337148393 /nfs/dbraw/zinc/14/83/93/1337148393.db2.gz HLNQEVDDJNMYKM-OAHLLOKOSA-N 2 1 332.496 2.151 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076308 1337983553 /nfs/dbraw/zinc/98/35/53/1337983553.db2.gz JGZSDCKKFTUXCK-ZWKOTPCHSA-N 2 1 341.540 2.240 20 30 EEEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100438225 1338374605 /nfs/dbraw/zinc/37/46/05/1338374605.db2.gz WFCDFVXGLNCISW-AQEOSJORSA-N 2 1 339.524 2.160 20 30 EEEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100438225 1338374606 /nfs/dbraw/zinc/37/46/06/1338374606.db2.gz WFCDFVXGLNCISW-AQEOSJORSA-N 2 1 339.524 2.160 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001122219054 1371952464 /nfs/dbraw/zinc/95/24/64/1371952464.db2.gz DLCWGLOKVCFENX-YYIRHMBSSA-N 2 1 349.519 2.079 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001122219054 1371952474 /nfs/dbraw/zinc/95/24/74/1371952474.db2.gz DLCWGLOKVCFENX-YYIRHMBSSA-N 2 1 349.519 2.079 20 30 EEEDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139405066 1372501801 /nfs/dbraw/zinc/50/18/01/1372501801.db2.gz HQZZTSKZRQZZFZ-UHFFFAOYSA-N 2 1 349.482 2.299 20 30 EEEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203103628 1372768952 /nfs/dbraw/zinc/76/89/52/1372768952.db2.gz LWMFCNDXRLUONZ-SJORKVTESA-N 2 1 331.504 2.290 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000838623972 1372857682 /nfs/dbraw/zinc/85/76/82/1372857682.db2.gz ZRIOWQRHMHNSPD-UHFFFAOYSA-N 2 1 336.524 2.285 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001376555701 1378593314 /nfs/dbraw/zinc/59/33/14/1378593314.db2.gz HZSWXRAIGUTYPO-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001378187171 1379768136 /nfs/dbraw/zinc/76/81/36/1379768136.db2.gz CWUFVTLKKIDTIB-RDTXWAMCSA-N 2 1 348.466 2.220 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001378187171 1379768137 /nfs/dbraw/zinc/76/81/37/1379768137.db2.gz CWUFVTLKKIDTIB-RDTXWAMCSA-N 2 1 348.466 2.220 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001400737292 1396564763 /nfs/dbraw/zinc/56/47/63/1396564763.db2.gz FKOQCPHINAKRGS-RHSMWYFYSA-N 2 1 348.516 2.239 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001400737292 1396564770 /nfs/dbraw/zinc/56/47/70/1396564770.db2.gz FKOQCPHINAKRGS-RHSMWYFYSA-N 2 1 348.516 2.239 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C2 ZINC001402434288 1397999298 /nfs/dbraw/zinc/99/92/98/1397999298.db2.gz GELWDMTYJKSVDG-MUJYYYPQSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001754945775 1407006943 /nfs/dbraw/zinc/00/69/43/1407006943.db2.gz ITCAQKRLUSWOKD-LJQANCHMSA-N 2 1 345.487 2.031 20 30 EEEDMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001754945775 1407006963 /nfs/dbraw/zinc/00/69/63/1407006963.db2.gz ITCAQKRLUSWOKD-LJQANCHMSA-N 2 1 345.487 2.031 20 30 EEEDMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001754945775 1407006973 /nfs/dbraw/zinc/00/69/73/1407006973.db2.gz ITCAQKRLUSWOKD-LJQANCHMSA-N 2 1 345.487 2.031 20 30 EEEDMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001754945775 1407006978 /nfs/dbraw/zinc/00/69/78/1407006978.db2.gz ITCAQKRLUSWOKD-LJQANCHMSA-N 2 1 345.487 2.031 20 30 EEEDMP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001422524004 1399983888 /nfs/dbraw/zinc/98/38/88/1399983888.db2.gz AHVUYYZACRUWSY-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[NH+]1CCCCC1)CO2 ZINC001755065630 1407074827 /nfs/dbraw/zinc/07/48/27/1407074827.db2.gz OVCUWHDFFALJQQ-GOSISDBHSA-N 2 1 349.519 2.178 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001422757261 1400182825 /nfs/dbraw/zinc/18/28/25/1400182825.db2.gz VQSYWIQJFOLXIO-DYVFJYSZSA-N 2 1 348.516 2.142 20 30 EEEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001755721508 1407781724 /nfs/dbraw/zinc/78/17/24/1407781724.db2.gz BOGCSZSAFOEIEX-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001112397052 1410896761 /nfs/dbraw/zinc/89/67/61/1410896761.db2.gz QKNXGDIATUGXOE-ZJOUEHCJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC000948448699 782526305 /nfs/dbraw/zinc/52/63/05/782526305.db2.gz GNCDXVBLXOPHDA-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC000948448699 782526311 /nfs/dbraw/zinc/52/63/11/782526311.db2.gz GNCDXVBLXOPHDA-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000948448699 782526320 /nfs/dbraw/zinc/52/63/20/782526320.db2.gz GNCDXVBLXOPHDA-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000948448699 782526328 /nfs/dbraw/zinc/52/63/28/782526328.db2.gz GNCDXVBLXOPHDA-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573204 761929327 /nfs/dbraw/zinc/92/93/27/761929327.db2.gz LQZDFWNCDLFMEK-QRVBRYPASA-N 2 1 333.520 2.206 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458841 760852424 /nfs/dbraw/zinc/85/24/24/760852424.db2.gz QSBKCWBXLMHLDT-HKUYNNGSSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461816 760940999 /nfs/dbraw/zinc/94/09/99/760940999.db2.gz SCGPQSMNYYOEOS-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461816 760941004 /nfs/dbraw/zinc/94/10/04/760941004.db2.gz SCGPQSMNYYOEOS-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461816 760941008 /nfs/dbraw/zinc/94/10/08/760941008.db2.gz SCGPQSMNYYOEOS-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948449495 782594657 /nfs/dbraw/zinc/59/46/57/782594657.db2.gz SBZCXWDIRCIBHA-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948449495 782594666 /nfs/dbraw/zinc/59/46/66/782594666.db2.gz SBZCXWDIRCIBHA-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948449495 782594672 /nfs/dbraw/zinc/59/46/72/782594672.db2.gz SBZCXWDIRCIBHA-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948449495 782594679 /nfs/dbraw/zinc/59/46/79/782594679.db2.gz SBZCXWDIRCIBHA-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)CC(C)(C)C1 ZINC001089408879 768847297 /nfs/dbraw/zinc/84/72/97/768847297.db2.gz ITGJYNVCPZWETA-ROUUACIJSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)CC(C)(C)C1 ZINC001089408879 768847311 /nfs/dbraw/zinc/84/73/11/768847311.db2.gz ITGJYNVCPZWETA-ROUUACIJSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)CC(C)(C)C1 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/nfs/dbraw/zinc/68/85/96/773688596.db2.gz JBRDFBLJQDSNOK-IPMKNSEASA-N 2 1 343.515 2.102 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980141780 773933623 /nfs/dbraw/zinc/93/36/23/773933623.db2.gz KLJXOKBIBSSIHZ-RYQLBKOJSA-N 2 1 336.439 2.188 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CC[C@@H]2C1 ZINC000946779971 783201207 /nfs/dbraw/zinc/20/12/07/783201207.db2.gz WSMOHDFPVSRUGZ-OKZBNKHCSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CC[C@@H]2C1 ZINC000946779971 783201212 /nfs/dbraw/zinc/20/12/12/783201212.db2.gz WSMOHDFPVSRUGZ-OKZBNKHCSA-N 2 1 342.487 2.110 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001167814831 774974964 /nfs/dbraw/zinc/97/49/64/774974964.db2.gz GFBJRJILDBFWFZ-UHFFFAOYSA-N 2 1 341.499 2.256 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](OC)C1 ZINC001212301328 775481651 /nfs/dbraw/zinc/48/16/51/775481651.db2.gz 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EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211723255 779768053 /nfs/dbraw/zinc/76/80/53/779768053.db2.gz RYIJYXFDMFARBZ-RBUKOAKNSA-N 2 1 338.455 2.352 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942824344 783258980 /nfs/dbraw/zinc/25/89/80/783258980.db2.gz XMTPOYJGMCRWIQ-HIFRSBDPSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942824344 783258990 /nfs/dbraw/zinc/25/89/90/783258990.db2.gz XMTPOYJGMCRWIQ-HIFRSBDPSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942824344 783258998 /nfs/dbraw/zinc/25/89/98/783258998.db2.gz XMTPOYJGMCRWIQ-HIFRSBDPSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942824344 783259006 /nfs/dbraw/zinc/25/90/06/783259006.db2.gz XMTPOYJGMCRWIQ-HIFRSBDPSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035184034 784018668 /nfs/dbraw/zinc/01/86/68/784018668.db2.gz DWRSIHJGZXKFKR-UHFFFAOYSA-N 2 1 331.504 2.199 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135857010 784637963 /nfs/dbraw/zinc/63/79/63/784637963.db2.gz AZSXDIXPXHLTJD-LSDHHAIUSA-N 2 1 348.466 2.412 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001035623655 784815553 /nfs/dbraw/zinc/81/55/53/784815553.db2.gz CWCVQQXRQHRVEE-QGZVFWFLSA-N 2 1 349.475 2.128 20 30 EEEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001035623655 784815562 /nfs/dbraw/zinc/81/55/62/784815562.db2.gz CWCVQQXRQHRVEE-QGZVFWFLSA-N 2 1 349.475 2.128 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859179 788820756 /nfs/dbraw/zinc/82/07/56/788820756.db2.gz MLMNEAILRZFIGL-ZRNYENFQSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001091065363 789687021 /nfs/dbraw/zinc/68/70/21/789687021.db2.gz BDDKMSBPXZGNMX-PCKAHOCUSA-N 2 1 327.900 2.201 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908410 789776174 /nfs/dbraw/zinc/77/61/74/789776174.db2.gz BDXPKYATVVEMNV-NMLBUPMWSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001091267489 790223659 /nfs/dbraw/zinc/22/36/59/790223659.db2.gz NDTIMGULEJYQAL-UYSNPLJNSA-N 2 1 327.900 2.486 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146334465 791178670 /nfs/dbraw/zinc/17/86/70/791178670.db2.gz XOMQAOIAYXAVGM-QWHCGFSZSA-N 2 1 345.472 2.198 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146595003 791366536 /nfs/dbraw/zinc/36/65/36/791366536.db2.gz WDBKYERTUJXSOI-ZIAGYGMSSA-N 2 1 336.505 2.333 20 30 EEEDMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001147347743 791793193 /nfs/dbraw/zinc/79/31/93/791793193.db2.gz CYSFOVQQJSJHKE-LJQANCHMSA-N 2 1 342.487 2.419 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998103156 791971133 /nfs/dbraw/zinc/97/11/33/791971133.db2.gz PHXJRNZYMMRJJD-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998103156 791971141 /nfs/dbraw/zinc/97/11/41/791971141.db2.gz PHXJRNZYMMRJJD-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000998103156 791971146 /nfs/dbraw/zinc/97/11/46/791971146.db2.gz PHXJRNZYMMRJJD-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647513 792055123 /nfs/dbraw/zinc/05/51/23/792055123.db2.gz IYKZIDWELHDNDP-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091957476 793462811 /nfs/dbraw/zinc/46/28/11/793462811.db2.gz NIOZAXDDYPSGEP-QKLQHJQFSA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091957476 793462819 /nfs/dbraw/zinc/46/28/19/793462819.db2.gz NIOZAXDDYPSGEP-QKLQHJQFSA-N 2 1 342.487 2.110 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCC2CC2)CC3)CC1 ZINC000992509191 794451678 /nfs/dbraw/zinc/45/16/78/794451678.db2.gz MYAKMUREFZVPQY-CTNGQTDRSA-N 2 1 343.515 2.245 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]21 ZINC001036754806 794783859 /nfs/dbraw/zinc/78/38/59/794783859.db2.gz LOPGLUGLOSPHAT-YJBOKZPZSA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]21 ZINC001036754806 794783864 /nfs/dbraw/zinc/78/38/64/794783864.db2.gz LOPGLUGLOSPHAT-YJBOKZPZSA-N 2 1 346.475 2.239 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094421343 796209824 /nfs/dbraw/zinc/20/98/24/796209824.db2.gz TXTHOXOOQQXJOS-JRBPQWBISA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094421343 796209827 /nfs/dbraw/zinc/20/98/27/796209827.db2.gz TXTHOXOOQQXJOS-JRBPQWBISA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094421343 796209833 /nfs/dbraw/zinc/20/98/33/796209833.db2.gz TXTHOXOOQQXJOS-JRBPQWBISA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C\Cl)CC2 ZINC001094436603 796242583 /nfs/dbraw/zinc/24/25/83/796242583.db2.gz YKHZSEWTZDNZTG-MFAZZRGVSA-N 2 1 349.906 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C\Cl)CC2 ZINC001094436603 796242586 /nfs/dbraw/zinc/24/25/86/796242586.db2.gz YKHZSEWTZDNZTG-MFAZZRGVSA-N 2 1 349.906 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](C/C=C\Cl)CC2 ZINC001094436603 796242591 /nfs/dbraw/zinc/24/25/91/796242591.db2.gz YKHZSEWTZDNZTG-MFAZZRGVSA-N 2 1 349.906 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](C/C=C\Cl)CC2 ZINC001094436603 796242597 /nfs/dbraw/zinc/24/25/97/796242597.db2.gz YKHZSEWTZDNZTG-MFAZZRGVSA-N 2 1 349.906 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902499 796440187 /nfs/dbraw/zinc/44/01/87/796440187.db2.gz LLWYTPJILQQRMG-PMACEKPBSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCC(=C)C)C2)CC1 ZINC001036903033 796441204 /nfs/dbraw/zinc/44/12/04/796441204.db2.gz ULMWOKUAHJRCNJ-VQTJNVASSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001081115781 796657025 /nfs/dbraw/zinc/65/70/25/796657025.db2.gz NVOYLYIXMXRQGM-XUVXKRRUSA-N 2 1 339.483 2.077 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1ccccc1 ZINC001081125946 796669979 /nfs/dbraw/zinc/66/99/79/796669979.db2.gz YGKGYAUSCMEVKX-RBUKOAKNSA-N 2 1 327.472 2.241 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001112563801 806575015 /nfs/dbraw/zinc/57/50/15/806575015.db2.gz OOOYMSLABWHDPP-RYRKJORJSA-N 2 1 339.911 2.299 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]([NH2+]C2CCC(CC#N)CC2)C1 ZINC001173332435 797362855 /nfs/dbraw/zinc/36/28/55/797362855.db2.gz NGVSLNWEQBLTEH-FJBKBRRZSA-N 2 1 336.480 2.385 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001002036110 797498258 /nfs/dbraw/zinc/49/82/58/797498258.db2.gz DWDAFUSNXQCZRG-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)CC[C@@H]21 ZINC001173595254 797550604 /nfs/dbraw/zinc/55/06/04/797550604.db2.gz VOUJKMGFKYJQCP-KOTICYHOSA-N 2 1 342.491 2.145 20 30 EEEDMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)CC[C@@H]21 ZINC001173595254 797550607 /nfs/dbraw/zinc/55/06/07/797550607.db2.gz VOUJKMGFKYJQCP-KOTICYHOSA-N 2 1 342.491 2.145 20 30 EEEDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)CC[C@@H]21 ZINC001173595254 797550611 /nfs/dbraw/zinc/55/06/11/797550611.db2.gz VOUJKMGFKYJQCP-KOTICYHOSA-N 2 1 342.491 2.145 20 30 EEEDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)CC[C@@H]21 ZINC001173595254 797550615 /nfs/dbraw/zinc/55/06/15/797550615.db2.gz VOUJKMGFKYJQCP-KOTICYHOSA-N 2 1 342.491 2.145 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001085149266 798723806 /nfs/dbraw/zinc/72/38/06/798723806.db2.gz KJAGJXCJSFDRDZ-MCIONIFRSA-N 2 1 344.297 2.006 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001177415712 798934271 /nfs/dbraw/zinc/93/42/71/798934271.db2.gz JAKOSMMFZPQXPU-MJGOQNOKSA-N 2 1 333.520 2.206 20 30 EEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001003007520 799026650 /nfs/dbraw/zinc/02/66/50/799026650.db2.gz IWGPFVMIGNHAEH-LJQANCHMSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001178634245 799556723 /nfs/dbraw/zinc/55/67/23/799556723.db2.gz QALFLUBQDOBKOR-SFHVURJKSA-N 2 1 339.524 2.330 20 30 EEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003627051 799913873 /nfs/dbraw/zinc/91/38/73/799913873.db2.gz BQBMYIKFBPPRCP-GOSISDBHSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085203333 800238794 /nfs/dbraw/zinc/23/87/94/800238794.db2.gz DCQHDQSDYPCPAI-ZJIFWQFVSA-N 2 1 327.900 2.486 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085229654 800264994 /nfs/dbraw/zinc/26/49/94/800264994.db2.gz DECJHJXDQUAVSM-AQNXPRMDSA-N 2 1 339.483 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085229654 800264996 /nfs/dbraw/zinc/26/49/96/800264996.db2.gz DECJHJXDQUAVSM-AQNXPRMDSA-N 2 1 339.483 2.301 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001182001653 800992674 /nfs/dbraw/zinc/99/26/74/800992674.db2.gz SKHUMCJGHUETRE-QWFCFKBJSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001182401385 801152714 /nfs/dbraw/zinc/15/27/14/801152714.db2.gz JLQBLBCGTDCDAP-OXFYSEKESA-N 2 1 344.503 2.404 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085781864 801244985 /nfs/dbraw/zinc/24/49/85/801244985.db2.gz HHLMMHZJHRZKMQ-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781864 801244991 /nfs/dbraw/zinc/24/49/91/801244991.db2.gz HHLMMHZJHRZKMQ-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781864 801244998 /nfs/dbraw/zinc/24/49/98/801244998.db2.gz HHLMMHZJHRZKMQ-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001182814432 801359525 /nfs/dbraw/zinc/35/95/25/801359525.db2.gz VJPWVPDKOIDGEW-WSTZPKSXSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086132716 802258173 /nfs/dbraw/zinc/25/81/73/802258173.db2.gz CKELADGTRBTSEA-XHSDSOJGSA-N 2 1 327.900 2.344 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001004577079 802401227 /nfs/dbraw/zinc/40/12/27/802401227.db2.gz GPDBVCDCYZMNHV-SFHVURJKSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001004577079 802401232 /nfs/dbraw/zinc/40/12/32/802401232.db2.gz GPDBVCDCYZMNHV-SFHVURJKSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004620873 802500041 /nfs/dbraw/zinc/50/00/41/802500041.db2.gz RZBYWWPQFXHLGT-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033199516 803068820 /nfs/dbraw/zinc/06/88/20/803068820.db2.gz ULQFWTIGEHTZBQ-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033199516 803068823 /nfs/dbraw/zinc/06/88/23/803068823.db2.gz ULQFWTIGEHTZBQ-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033199516 803068830 /nfs/dbraw/zinc/06/88/30/803068830.db2.gz ULQFWTIGEHTZBQ-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033199516 803068837 /nfs/dbraw/zinc/06/88/37/803068837.db2.gz ULQFWTIGEHTZBQ-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001113459901 809019476 /nfs/dbraw/zinc/01/94/76/809019476.db2.gz KOIMHALEAWHHCW-INIZCTEOSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304062 810817801 /nfs/dbraw/zinc/81/78/01/810817801.db2.gz JOHDBSNXFGBMKE-JEWRLFTDSA-N 2 1 330.476 2.409 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304062 810817804 /nfs/dbraw/zinc/81/78/04/810817804.db2.gz JOHDBSNXFGBMKE-JEWRLFTDSA-N 2 1 330.476 2.409 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624139 810935618 /nfs/dbraw/zinc/93/56/18/810935618.db2.gz PLFZNGRURYJHMY-RBUKOAKNSA-N 2 1 338.455 2.352 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624139 810935622 /nfs/dbraw/zinc/93/56/22/810935622.db2.gz PLFZNGRURYJHMY-RBUKOAKNSA-N 2 1 338.455 2.352 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001131667165 813096754 /nfs/dbraw/zinc/09/67/54/813096754.db2.gz YPUOQDQISKRWGD-PXNSSMCTSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@H](C)O2 ZINC001131667165 813096764 /nfs/dbraw/zinc/09/67/64/813096764.db2.gz YPUOQDQISKRWGD-PXNSSMCTSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@H](C)O2 ZINC001131667165 813096770 /nfs/dbraw/zinc/09/67/70/813096770.db2.gz YPUOQDQISKRWGD-PXNSSMCTSA-N 2 1 349.519 2.129 20 30 EEEDMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001436912527 1088570195 /nfs/dbraw/zinc/57/01/95/1088570195.db2.gz KOOJQWHRLORSAB-IYARVYRRSA-N 2 1 342.487 2.273 20 30 EEEDMP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)C12CCC[NH+]1CCC2 ZINC001438893415 1091542203 /nfs/dbraw/zinc/54/22/03/1091542203.db2.gz AVKGRTPPGCWEBY-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1C#N ZINC001440735838 1093984006 /nfs/dbraw/zinc/98/40/06/1093984006.db2.gz OMHVJYQNOAKGSF-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1C#N ZINC001440735838 1093984009 /nfs/dbraw/zinc/98/40/09/1093984009.db2.gz OMHVJYQNOAKGSF-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001444305694 1098862972 /nfs/dbraw/zinc/86/29/72/1098862972.db2.gz GDRYKBJPLMAXDE-LPHOPBHVSA-N 2 1 342.487 2.273 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H]1C ZINC001507292622 1115177489 /nfs/dbraw/zinc/17/74/89/1115177489.db2.gz LCWUYMGLNUGLSN-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105396691 781929768 /nfs/dbraw/zinc/92/97/68/781929768.db2.gz SLPSGYIZLCPXPK-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396691 781929776 /nfs/dbraw/zinc/92/97/76/781929776.db2.gz SLPSGYIZLCPXPK-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396691 781929788 /nfs/dbraw/zinc/92/97/88/781929788.db2.gz SLPSGYIZLCPXPK-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000491544112 246066654 /nfs/dbraw/zinc/06/66/54/246066654.db2.gz KHDHIGBZRSPBDK-IBGZPJMESA-N 2 1 326.440 2.149 20 30 EEEDMP C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000337177221 465230164 /nfs/dbraw/zinc/23/01/64/465230164.db2.gz JHMOVFIWZGARKD-OALUTQOASA-N 2 1 348.535 2.045 20 30 EEEDMP Cn1cncc1[C@@H]1C[C@@H](NC(=O)c2ccc3cncn3c2)CCO1 ZINC000329095982 465232686 /nfs/dbraw/zinc/23/26/86/465232686.db2.gz LACBWNVRMYYEON-BBRMVZONSA-N 2 1 325.372 2.293 20 30 EEEDMP C=CCN1CC[C@H](N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740016 464677459 /nfs/dbraw/zinc/67/74/59/464677459.db2.gz YCGNTKOGKMBZEX-FPOVZHCZSA-N 2 1 339.483 2.371 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000298658422 465463289 /nfs/dbraw/zinc/46/32/89/465463289.db2.gz HLAJFIPZFXGMHL-MJGOQNOKSA-N 2 1 348.535 2.469 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C)C(C)C ZINC000344278299 465601153 /nfs/dbraw/zinc/60/11/53/465601153.db2.gz FVAFZHUYASELPD-KZNAEPCWSA-N 2 1 336.524 2.467 20 30 EEEDMP COc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C#N ZINC000371425388 465788924 /nfs/dbraw/zinc/78/89/24/465788924.db2.gz SGEQWIDAKQWLLD-LJQANCHMSA-N 2 1 342.487 2.167 20 30 EEEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368236189 466590213 /nfs/dbraw/zinc/59/02/13/466590213.db2.gz RZODGBJYINLSTL-IJXRJRJASA-N 2 1 339.483 2.015 20 30 EEEDMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)NC1(C#N)CCCCC1 ZINC000333532990 466622938 /nfs/dbraw/zinc/62/29/38/466622938.db2.gz MMZBZHLRLQCRQB-OAHLLOKOSA-N 2 1 332.492 2.324 20 30 EEEDMP CC(C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000424130718 466985424 /nfs/dbraw/zinc/98/54/24/466985424.db2.gz HQVZMOXKMOXXCJ-MOPGFXCFSA-N 2 1 342.487 2.207 20 30 EEEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602844857 469113195 /nfs/dbraw/zinc/11/31/95/469113195.db2.gz GVNWWXYPKJQIKK-UHFFFAOYSA-N 2 1 349.438 2.494 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCCF)CC1 ZINC000969156588 674648376 /nfs/dbraw/zinc/64/83/76/674648376.db2.gz XHFLNZUQIJNIDY-GOSISDBHSA-N 2 1 337.483 2.052 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182108 675942191 /nfs/dbraw/zinc/94/21/91/675942191.db2.gz IYDVBEAQPZMEEX-FQEVSTJZSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=C)C)CC1 ZINC001021469720 676118618 /nfs/dbraw/zinc/11/86/18/676118618.db2.gz IGOXDHFKXPWSPE-YQQQUEKLSA-N 2 1 329.488 2.019 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001022166162 676713341 /nfs/dbraw/zinc/71/33/41/676713341.db2.gz NGQNHTQJVXSQBP-OTWHNJEPSA-N 2 1 340.471 2.169 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC000971784487 676790003 /nfs/dbraw/zinc/79/00/03/676790003.db2.gz KATPSAMDRLWKOT-FUHWJXTLSA-N 2 1 346.450 2.070 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC000971784487 676790004 /nfs/dbraw/zinc/79/00/04/676790004.db2.gz KATPSAMDRLWKOT-FUHWJXTLSA-N 2 1 346.450 2.070 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC000971785638 676790587 /nfs/dbraw/zinc/79/05/87/676790587.db2.gz XLPGWTGTCBNIGE-SJLPKXTDSA-N 2 1 346.450 2.070 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC000972332224 678556280 /nfs/dbraw/zinc/55/62/80/678556280.db2.gz OPPOQZCCGVDGER-CABCVRRESA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC000972332224 678556284 /nfs/dbraw/zinc/55/62/84/678556284.db2.gz OPPOQZCCGVDGER-CABCVRRESA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000972332224 678556286 /nfs/dbraw/zinc/55/62/86/678556286.db2.gz OPPOQZCCGVDGER-CABCVRRESA-N 2 1 346.500 2.137 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972336282 678565225 /nfs/dbraw/zinc/56/52/25/678565225.db2.gz VSDKNOHKLQWNLR-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972336282 678565227 /nfs/dbraw/zinc/56/52/27/678565227.db2.gz VSDKNOHKLQWNLR-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972336282 678565229 /nfs/dbraw/zinc/56/52/29/678565229.db2.gz VSDKNOHKLQWNLR-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023509228 679347094 /nfs/dbraw/zinc/34/70/94/679347094.db2.gz ZEPWKKXWQHPZOG-SFHVURJKSA-N 2 1 341.499 2.256 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001023671966 679467471 /nfs/dbraw/zinc/46/74/71/679467471.db2.gz PXYAGQDYJZLFBA-MRXNPFEDSA-N 2 1 339.443 2.285 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001023671966 679467473 /nfs/dbraw/zinc/46/74/73/679467473.db2.gz PXYAGQDYJZLFBA-MRXNPFEDSA-N 2 1 339.443 2.285 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001023671966 679467475 /nfs/dbraw/zinc/46/74/75/679467475.db2.gz PXYAGQDYJZLFBA-MRXNPFEDSA-N 2 1 339.443 2.285 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001023761819 679567335 /nfs/dbraw/zinc/56/73/35/679567335.db2.gz JXBFHUZHZVJMIO-GOSISDBHSA-N 2 1 331.504 2.126 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000984800810 685276349 /nfs/dbraw/zinc/27/63/49/685276349.db2.gz TTWWLEJGASPMTR-RBSFLKMASA-N 2 1 346.500 2.088 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001024516779 680022993 /nfs/dbraw/zinc/02/29/93/680022993.db2.gz NPKKWZDGFSXFPS-HOTGVXAUSA-N 2 1 330.476 2.370 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001024516779 680022998 /nfs/dbraw/zinc/02/29/98/680022998.db2.gz NPKKWZDGFSXFPS-HOTGVXAUSA-N 2 1 330.476 2.370 20 30 EEEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982600212 681775471 /nfs/dbraw/zinc/77/54/71/681775471.db2.gz WWKDSTMHZXANGX-BGYRXZFFSA-N 2 1 342.487 2.200 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982600212 681775473 /nfs/dbraw/zinc/77/54/73/681775473.db2.gz WWKDSTMHZXANGX-BGYRXZFFSA-N 2 1 342.487 2.200 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000974804888 685555097 /nfs/dbraw/zinc/55/50/97/685555097.db2.gz XLAHPBCUHJNEFF-KRWDZBQOSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453371 682793892 /nfs/dbraw/zinc/79/38/92/682793892.db2.gz QSHNQEHOVKURCU-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001026529385 684723278 /nfs/dbraw/zinc/72/32/78/684723278.db2.gz YUPIRGGGCOQXKK-UHFFFAOYSA-N 2 1 330.476 2.355 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NC2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC001026605458 684782055 /nfs/dbraw/zinc/78/20/55/684782055.db2.gz PTJCBGQGVWLOFS-VIQWUECVSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000987269751 689563984 /nfs/dbraw/zinc/56/39/84/689563984.db2.gz TVDBIPPPBSOIRH-PBHICJAKSA-N 2 1 325.416 2.036 20 30 EEEDMP C[NH+]=C(NCc1cc(C)no1)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000083090128 1193433420 /nfs/dbraw/zinc/43/34/20/1193433420.db2.gz XVYIOEFOFSUTTM-DOTOQJQBSA-N 2 1 341.459 2.484 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1C#N ZINC001482602438 1187342691 /nfs/dbraw/zinc/34/26/91/1187342691.db2.gz UFYISRKBZLWYSP-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168318794 1188288518 /nfs/dbraw/zinc/28/85/18/1188288518.db2.gz GQBPTOATXWCDGD-HTWSVDAQSA-N 2 1 347.507 2.273 20 30 EEEDMP C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168318794 1188288520 /nfs/dbraw/zinc/28/85/20/1188288520.db2.gz GQBPTOATXWCDGD-HTWSVDAQSA-N 2 1 347.507 2.273 20 30 EEEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(C#N)c1 ZINC001272646578 1190955769 /nfs/dbraw/zinc/95/57/69/1190955769.db2.gz ROWRZIGDLYYKDI-HXUWFJFHSA-N 2 1 340.471 2.077 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001034047118 1195698788 /nfs/dbraw/zinc/69/87/88/1195698788.db2.gz ZGOBBGUCTYPQLP-HFTQHKIXSA-N 2 1 337.895 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001034047118 1195698790 /nfs/dbraw/zinc/69/87/90/1195698790.db2.gz ZGOBBGUCTYPQLP-HFTQHKIXSA-N 2 1 337.895 2.007 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001034274177 1196028876 /nfs/dbraw/zinc/02/88/76/1196028876.db2.gz KQVBOMXDCQYNFL-IAGOWNOFSA-N 2 1 330.476 2.382 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001034394501 1196183635 /nfs/dbraw/zinc/18/36/35/1196183635.db2.gz NPDREIWMIGHOMR-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394501 1196183637 /nfs/dbraw/zinc/18/36/37/1196183637.db2.gz NPDREIWMIGHOMR-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394501 1196183642 /nfs/dbraw/zinc/18/36/42/1196183642.db2.gz NPDREIWMIGHOMR-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001034649362 1196469060 /nfs/dbraw/zinc/46/90/60/1196469060.db2.gz HDLXJKRPRAJDOK-YHUYYLMFSA-N 2 1 327.900 2.486 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001034717377 1196613638 /nfs/dbraw/zinc/61/36/38/1196613638.db2.gz SEKCJEGBLBQKGJ-BRWVUGGUSA-N 2 1 330.476 2.347 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086717252 1199307617 /nfs/dbraw/zinc/30/76/17/1199307617.db2.gz OEWUAXKRDZWNNG-RRFJBIMHSA-N 2 1 336.867 2.388 20 30 EEEDMP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607091 1199699030 /nfs/dbraw/zinc/69/90/30/1199699030.db2.gz DBRNGRRTVYDPGB-ZWKOTPCHSA-N 2 1 341.499 2.395 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608326 1199699872 /nfs/dbraw/zinc/69/98/72/1199699872.db2.gz UOUSCSYOTBGWCP-STQMWFEESA-N 2 1 346.313 2.252 20 30 EEEDMP C[C@@H]1C(=NNC(=S)NCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000811642120 1200199400 /nfs/dbraw/zinc/19/94/00/1200199400.db2.gz GBNVHRHKUSZYLG-OAHLLOKOSA-N 2 1 347.532 2.053 20 30 EEEDMP C[C@@H]1C(=NNC(=S)NCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000811642120 1200199405 /nfs/dbraw/zinc/19/94/05/1200199405.db2.gz GBNVHRHKUSZYLG-OAHLLOKOSA-N 2 1 347.532 2.053 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001133122970 1200477629 /nfs/dbraw/zinc/47/76/29/1200477629.db2.gz WRRZJISNGAYWSW-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001275965424 1205605948 /nfs/dbraw/zinc/60/59/48/1205605948.db2.gz GBKBCUCRMXRSIU-UHFFFAOYSA-N 2 1 343.471 2.467 20 30 EEEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001275965424 1205605949 /nfs/dbraw/zinc/60/59/49/1205605949.db2.gz GBKBCUCRMXRSIU-UHFFFAOYSA-N 2 1 343.471 2.467 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccsc1 ZINC001095556529 1205873193 /nfs/dbraw/zinc/87/31/93/1205873193.db2.gz WYIWJLIVFUWFNS-OWSLCNJRSA-N 2 1 343.496 2.067 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccsc1 ZINC001095556529 1205873194 /nfs/dbraw/zinc/87/31/94/1205873194.db2.gz WYIWJLIVFUWFNS-OWSLCNJRSA-N 2 1 343.496 2.067 20 30 EEEDMP C#CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925416034 1206109403 /nfs/dbraw/zinc/10/94/03/1206109403.db2.gz HDMLCYVIOJMLHN-YQQQUEKLSA-N 2 1 328.456 2.430 20 30 EEEDMP C#CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925416034 1206109404 /nfs/dbraw/zinc/10/94/04/1206109404.db2.gz HDMLCYVIOJMLHN-YQQQUEKLSA-N 2 1 328.456 2.430 20 30 EEEDMP C#CCOc1cccc(Cl)c1C[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000778156524 1207726733 /nfs/dbraw/zinc/72/67/33/1207726733.db2.gz WYWWLKUFRHYIHY-UHFFFAOYSA-N 2 1 349.906 2.469 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741114 1208454215 /nfs/dbraw/zinc/45/42/15/1208454215.db2.gz RLUFZISEWGCRSX-NJAFHUGGSA-N 2 1 337.427 2.179 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000948705644 1209312303 /nfs/dbraw/zinc/31/23/03/1209312303.db2.gz ITKFANPRFOSWKE-IEBWSBKVSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000948898451 1209442953 /nfs/dbraw/zinc/44/29/53/1209442953.db2.gz IVCLDARMCWPMEK-OALUTQOASA-N 2 1 327.472 2.372 20 30 EEEDMP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948898451 1209442954 /nfs/dbraw/zinc/44/29/54/1209442954.db2.gz IVCLDARMCWPMEK-OALUTQOASA-N 2 1 327.472 2.372 20 30 EEEDMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948898451 1209442956 /nfs/dbraw/zinc/44/29/56/1209442956.db2.gz IVCLDARMCWPMEK-OALUTQOASA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000948899062 1209443124 /nfs/dbraw/zinc/44/31/24/1209443124.db2.gz QJKLYRMEQFIONW-MOPGFXCFSA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000948899062 1209443125 /nfs/dbraw/zinc/44/31/25/1209443125.db2.gz QJKLYRMEQFIONW-MOPGFXCFSA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948899062 1209443127 /nfs/dbraw/zinc/44/31/27/1209443127.db2.gz QJKLYRMEQFIONW-MOPGFXCFSA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948899062 1209443129 /nfs/dbraw/zinc/44/31/29/1209443129.db2.gz QJKLYRMEQFIONW-MOPGFXCFSA-N 2 1 327.472 2.372 20 30 EEEDMP C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCC[NH+]1CCCCC1 ZINC000194395352 1211180026 /nfs/dbraw/zinc/18/00/26/1211180026.db2.gz KJLUEOXOJJGOSG-AWEZNQCLSA-N 2 1 342.484 2.264 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1OC1CCCC1 ZINC000303889846 1213921147 /nfs/dbraw/zinc/92/11/47/1213921147.db2.gz MFDPIAGMRARUPJ-INIZCTEOSA-N 2 1 345.491 2.292 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000303911792 1213923743 /nfs/dbraw/zinc/92/37/43/1213923743.db2.gz ZVDTZSNWANITJP-GOSISDBHSA-N 2 1 332.492 2.154 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OCC1CC1 ZINC000304757668 1216103378 /nfs/dbraw/zinc/10/33/78/1216103378.db2.gz PBQFZTMZARATJM-KRWDZBQOSA-N 2 1 330.476 2.364 20 30 EEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960270746 1216462058 /nfs/dbraw/zinc/46/20/58/1216462058.db2.gz JGCHFDZTNWJULD-ZHALLVOQSA-N 2 1 336.439 2.318 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961243621 1217105915 /nfs/dbraw/zinc/10/59/15/1217105915.db2.gz QAGZYNQSQXHBPD-ZWKOTPCHSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961243621 1217105917 /nfs/dbraw/zinc/10/59/17/1217105917.db2.gz QAGZYNQSQXHBPD-ZWKOTPCHSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961379025 1217166166 /nfs/dbraw/zinc/16/61/66/1217166166.db2.gz PPKRQVGMDIDABP-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379025 1217166168 /nfs/dbraw/zinc/16/61/68/1217166168.db2.gz PPKRQVGMDIDABP-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379025 1217166170 /nfs/dbraw/zinc/16/61/70/1217166170.db2.gz PPKRQVGMDIDABP-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961410275 1217179316 /nfs/dbraw/zinc/17/93/16/1217179316.db2.gz GFGICTPXYGCLDC-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961410275 1217179317 /nfs/dbraw/zinc/17/93/17/1217179317.db2.gz GFGICTPXYGCLDC-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961410275 1217179321 /nfs/dbraw/zinc/17/93/21/1217179321.db2.gz GFGICTPXYGCLDC-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410406 1217179489 /nfs/dbraw/zinc/17/94/89/1217179489.db2.gz HNKARFUJIZGFIM-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410406 1217179492 /nfs/dbraw/zinc/17/94/92/1217179492.db2.gz HNKARFUJIZGFIM-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410406 1217179494 /nfs/dbraw/zinc/17/94/94/1217179494.db2.gz HNKARFUJIZGFIM-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963314771 1217507125 /nfs/dbraw/zinc/50/71/25/1217507125.db2.gz POYVZOSKXOZORR-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963314771 1217507126 /nfs/dbraw/zinc/50/71/26/1217507126.db2.gz POYVZOSKXOZORR-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315511 1217507695 /nfs/dbraw/zinc/50/76/95/1217507695.db2.gz UTEXWVYXXLCXHZ-ZWKOTPCHSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337327 1217532582 /nfs/dbraw/zinc/53/25/82/1217532582.db2.gz NYRPIJMLHYEUEW-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337327 1217532585 /nfs/dbraw/zinc/53/25/85/1217532585.db2.gz NYRPIJMLHYEUEW-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963357818 1217552363 /nfs/dbraw/zinc/55/23/63/1217552363.db2.gz AGKNTCVXSBPHFO-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963357818 1217552365 /nfs/dbraw/zinc/55/23/65/1217552365.db2.gz AGKNTCVXSBPHFO-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963357818 1217552370 /nfs/dbraw/zinc/55/23/70/1217552370.db2.gz AGKNTCVXSBPHFO-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681632 1221487765 /nfs/dbraw/zinc/48/77/65/1221487765.db2.gz KVCRTFIBEQBCBL-QFBILLFUSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000968956195 1221700447 /nfs/dbraw/zinc/70/04/47/1221700447.db2.gz DFPIQQYYUVSEBJ-LZQZEXGQSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000968956195 1221700450 /nfs/dbraw/zinc/70/04/50/1221700450.db2.gz DFPIQQYYUVSEBJ-LZQZEXGQSA-N 2 1 343.446 2.175 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100948 1221808745 /nfs/dbraw/zinc/80/87/45/1221808745.db2.gz MOPFPFGIHQKBAJ-IBGZPJMESA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007346743 1222184101 /nfs/dbraw/zinc/18/41/01/1222184101.db2.gz XRLOMSDMMANBTL-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007346743 1222184104 /nfs/dbraw/zinc/18/41/04/1222184104.db2.gz XRLOMSDMMANBTL-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007346743 1222184098 /nfs/dbraw/zinc/18/40/98/1222184098.db2.gz XRLOMSDMMANBTL-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007346743 1222184099 /nfs/dbraw/zinc/18/40/99/1222184099.db2.gz XRLOMSDMMANBTL-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001016340733 1226367367 /nfs/dbraw/zinc/36/73/67/1226367367.db2.gz ZKEVZLDTNROUKZ-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC=C(C)C)CC2 ZINC001016671248 1226758478 /nfs/dbraw/zinc/75/84/78/1226758478.db2.gz VTYCFDCJWRHLMS-ROUUACIJSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC=C(C)C)CC2 ZINC001016671248 1226758481 /nfs/dbraw/zinc/75/84/81/1226758481.db2.gz VTYCFDCJWRHLMS-ROUUACIJSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001017947614 1227905387 /nfs/dbraw/zinc/90/53/87/1227905387.db2.gz AIUMPQCGRCWHJA-BGYRXZFFSA-N 2 1 339.483 2.103 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018837509 1228445500 /nfs/dbraw/zinc/44/55/00/1228445500.db2.gz PAWBCYBSQPFQOM-WMLDXEAASA-N 2 1 346.500 2.183 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001019820352 1229363427 /nfs/dbraw/zinc/36/34/27/1229363427.db2.gz HDDZPMGXTUTZDG-WMLDXEAASA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001020251394 1229583674 /nfs/dbraw/zinc/58/36/74/1229583674.db2.gz KNHGAWMEKAPMSV-FPXQBCRKSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001020251394 1229583677 /nfs/dbraw/zinc/58/36/77/1229583677.db2.gz KNHGAWMEKAPMSV-FPXQBCRKSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001039133907 1230345589 /nfs/dbraw/zinc/34/55/89/1230345589.db2.gz LYHUVECGKOUEEC-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001039133907 1230345591 /nfs/dbraw/zinc/34/55/91/1230345591.db2.gz LYHUVECGKOUEEC-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC(=C)C)C2)CC1 ZINC001039133907 1230345594 /nfs/dbraw/zinc/34/55/94/1230345594.db2.gz LYHUVECGKOUEEC-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC(=C)C)C2)CC1 ZINC001039133907 1230345598 /nfs/dbraw/zinc/34/55/98/1230345598.db2.gz LYHUVECGKOUEEC-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039143993 1230362742 /nfs/dbraw/zinc/36/27/42/1230362742.db2.gz FQWBJDNNNRAPDN-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039165895 1230388306 /nfs/dbraw/zinc/38/83/06/1230388306.db2.gz ULDPFDCMFXNMQW-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039165895 1230388311 /nfs/dbraw/zinc/38/83/11/1230388311.db2.gz ULDPFDCMFXNMQW-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039165895 1230388315 /nfs/dbraw/zinc/38/83/15/1230388315.db2.gz ULDPFDCMFXNMQW-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001039249581 1230486351 /nfs/dbraw/zinc/48/63/51/1230486351.db2.gz CDFZPKSFDVLTPB-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2ccnc2)C1 ZINC001039254471 1230489915 /nfs/dbraw/zinc/48/99/15/1230489915.db2.gz VPNARXVCZOPJFG-CVEARBPZSA-N 2 1 336.867 2.339 20 30 EEEDMP C=C(Cl)CN1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2ccnc2)C1 ZINC001039254471 1230489920 /nfs/dbraw/zinc/48/99/20/1230489920.db2.gz VPNARXVCZOPJFG-CVEARBPZSA-N 2 1 336.867 2.339 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447545 1230615340 /nfs/dbraw/zinc/61/53/40/1230615340.db2.gz RIJYVUSJLKCYQI-MSOLQXFVSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447545 1230615342 /nfs/dbraw/zinc/61/53/42/1230615342.db2.gz RIJYVUSJLKCYQI-MSOLQXFVSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242708 1231128126 /nfs/dbraw/zinc/12/81/26/1231128126.db2.gz ZWEWTTMFFPTFLZ-YLJYHZDGSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242708 1231128127 /nfs/dbraw/zinc/12/81/27/1231128127.db2.gz ZWEWTTMFFPTFLZ-YLJYHZDGSA-N 2 1 340.471 2.098 20 30 EEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040356505 1231185054 /nfs/dbraw/zinc/18/50/54/1231185054.db2.gz IWIMSUMPTJWGJM-IBGZPJMESA-N 2 1 331.460 2.455 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040757390 1231359529 /nfs/dbraw/zinc/35/95/29/1231359529.db2.gz RRMJUWYJROOURU-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041586078 1231609803 /nfs/dbraw/zinc/60/98/03/1231609803.db2.gz HVXYJRQDEPNMLT-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586078 1231609804 /nfs/dbraw/zinc/60/98/04/1231609804.db2.gz HVXYJRQDEPNMLT-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586078 1231609807 /nfs/dbraw/zinc/60/98/07/1231609807.db2.gz HVXYJRQDEPNMLT-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723884 1231661912 /nfs/dbraw/zinc/66/19/12/1231661912.db2.gz LWFIKDGZKYXVCU-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723884 1231661914 /nfs/dbraw/zinc/66/19/14/1231661914.db2.gz LWFIKDGZKYXVCU-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723884 1231661916 /nfs/dbraw/zinc/66/19/16/1231661916.db2.gz LWFIKDGZKYXVCU-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041776471 1231688859 /nfs/dbraw/zinc/68/88/59/1231688859.db2.gz BUBURGLUIANTHN-OAQYLSRUSA-N 2 1 343.515 2.056 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042366360 1232048943 /nfs/dbraw/zinc/04/89/43/1232048943.db2.gz VFZZJKLBYDENSE-MJGOQNOKSA-N 2 1 327.472 2.471 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020632 1233687332 /nfs/dbraw/zinc/68/73/32/1233687332.db2.gz NBTIUTOANYSDRY-AABGKKOBSA-N 2 1 339.483 2.149 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961139 1234236153 /nfs/dbraw/zinc/23/61/53/1234236153.db2.gz HMNXQRAIONJSCZ-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001045961139 1234236156 /nfs/dbraw/zinc/23/61/56/1234236156.db2.gz HMNXQRAIONJSCZ-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001045961139 1234236158 /nfs/dbraw/zinc/23/61/58/1234236158.db2.gz HMNXQRAIONJSCZ-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001046730816 1235122621 /nfs/dbraw/zinc/12/26/21/1235122621.db2.gz GFTMEGDIOMCOIR-LJQANCHMSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046730816 1235122623 /nfs/dbraw/zinc/12/26/23/1235122623.db2.gz GFTMEGDIOMCOIR-LJQANCHMSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046730816 1235122626 /nfs/dbraw/zinc/12/26/26/1235122626.db2.gz GFTMEGDIOMCOIR-LJQANCHMSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001048532674 1237894283 /nfs/dbraw/zinc/89/42/83/1237894283.db2.gz CPCOICLARNCCRS-OYSTVDSJSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001048532674 1237894294 /nfs/dbraw/zinc/89/42/94/1237894294.db2.gz CPCOICLARNCCRS-OYSTVDSJSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](F)CC ZINC001048532674 1237894299 /nfs/dbraw/zinc/89/42/99/1237894299.db2.gz CPCOICLARNCCRS-OYSTVDSJSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](F)CC ZINC001048532674 1237894302 /nfs/dbraw/zinc/89/43/02/1237894302.db2.gz CPCOICLARNCCRS-OYSTVDSJSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001048533083 1237895448 /nfs/dbraw/zinc/89/54/48/1237895448.db2.gz PHZDBHBLMWRHMU-YRPNKDGESA-N 2 1 343.515 2.243 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001048533083 1237895457 /nfs/dbraw/zinc/89/54/57/1237895457.db2.gz PHZDBHBLMWRHMU-YRPNKDGESA-N 2 1 343.515 2.243 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048533083 1237895468 /nfs/dbraw/zinc/89/54/68/1237895468.db2.gz PHZDBHBLMWRHMU-YRPNKDGESA-N 2 1 343.515 2.243 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048533083 1237895477 /nfs/dbraw/zinc/89/54/77/1237895477.db2.gz PHZDBHBLMWRHMU-YRPNKDGESA-N 2 1 343.515 2.243 20 30 EEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001048561464 1237969716 /nfs/dbraw/zinc/96/97/16/1237969716.db2.gz ZFDUFWUAUPNQDO-ZJPYXAASSA-N 2 1 342.487 2.299 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001048561464 1237969724 /nfs/dbraw/zinc/96/97/24/1237969724.db2.gz ZFDUFWUAUPNQDO-ZJPYXAASSA-N 2 1 342.487 2.299 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001048582890 1238023030 /nfs/dbraw/zinc/02/30/30/1238023030.db2.gz XOSFVPMUINPGFG-BCDXTJNWSA-N 2 1 331.504 2.408 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048862189 1239066533 /nfs/dbraw/zinc/06/65/33/1239066533.db2.gz STZFVTYPIISOIQ-SCTDSRPQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001048862189 1239066540 /nfs/dbraw/zinc/06/65/40/1239066540.db2.gz STZFVTYPIISOIQ-SCTDSRPQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001048862189 1239066554 /nfs/dbraw/zinc/06/65/54/1239066554.db2.gz STZFVTYPIISOIQ-SCTDSRPQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000202021 1240056707 /nfs/dbraw/zinc/05/67/07/1240056707.db2.gz SIFXWQDWDUENES-HUUCEWRRSA-N 2 1 336.867 2.087 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)CC1 ZINC001000290160 1240136533 /nfs/dbraw/zinc/13/65/33/1240136533.db2.gz OTMYPVVZCQVUKC-OALUTQOASA-N 2 1 343.515 2.387 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478558 1241077189 /nfs/dbraw/zinc/07/71/89/1241077189.db2.gz PTGWZZKQVFCEQW-GBESFXJTSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2cncc2C1 ZINC001049554920 1241394239 /nfs/dbraw/zinc/39/42/39/1241394239.db2.gz ILGWTIZUNUIBIU-YTQUADARSA-N 2 1 342.487 2.477 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677651 1241851548 /nfs/dbraw/zinc/85/15/48/1241851548.db2.gz VNVBBIJEDITEGK-SJORKVTESA-N 2 1 329.444 2.043 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787711 1242184879 /nfs/dbraw/zinc/18/48/79/1242184879.db2.gz JSAIQZXZSSLNML-WOJBJXKFSA-N 2 1 339.483 2.450 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049835271 1242362008 /nfs/dbraw/zinc/36/20/08/1242362008.db2.gz HERMVPDPCOXDJU-IPMKNSEASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049835271 1242362020 /nfs/dbraw/zinc/36/20/20/1242362020.db2.gz HERMVPDPCOXDJU-IPMKNSEASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049835271 1242362028 /nfs/dbraw/zinc/36/20/28/1242362028.db2.gz HERMVPDPCOXDJU-IPMKNSEASA-N 2 1 331.504 2.340 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050067066 1242767311 /nfs/dbraw/zinc/76/73/11/1242767311.db2.gz MWQIWFWVBCYCIS-YESZJQIVSA-N 2 1 328.460 2.259 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050067066 1242767317 /nfs/dbraw/zinc/76/73/17/1242767317.db2.gz MWQIWFWVBCYCIS-YESZJQIVSA-N 2 1 328.460 2.259 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053034637 1245729581 /nfs/dbraw/zinc/72/95/81/1245729581.db2.gz XQRAJDRWJGQYBD-QZTJIDSGSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053034637 1245729588 /nfs/dbraw/zinc/72/95/88/1245729588.db2.gz XQRAJDRWJGQYBD-QZTJIDSGSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053043780 1245754502 /nfs/dbraw/zinc/75/45/02/1245754502.db2.gz ZGSBOUCCVHXMSD-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053043780 1245754512 /nfs/dbraw/zinc/75/45/12/1245754512.db2.gz ZGSBOUCCVHXMSD-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053043780 1245754520 /nfs/dbraw/zinc/75/45/20/1245754520.db2.gz ZGSBOUCCVHXMSD-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095199 1245891343 /nfs/dbraw/zinc/89/13/43/1245891343.db2.gz IHDCOURIWPIHRN-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105334 1245919730 /nfs/dbraw/zinc/91/97/30/1245919730.db2.gz NDQJVANSMNXHCW-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CCO2 ZINC001053459702 1246358039 /nfs/dbraw/zinc/35/80/39/1246358039.db2.gz WZJFXGJLAAWYPA-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CCO2 ZINC001053459702 1246358046 /nfs/dbraw/zinc/35/80/46/1246358046.db2.gz WZJFXGJLAAWYPA-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054133535 1247483908 /nfs/dbraw/zinc/48/39/08/1247483908.db2.gz FMZSSLJUMAHGMY-QUCCMNQESA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159755 1247565086 /nfs/dbraw/zinc/56/50/86/1247565086.db2.gz YWKAUANLGASBCV-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159755 1247565090 /nfs/dbraw/zinc/56/50/90/1247565090.db2.gz YWKAUANLGASBCV-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159755 1247565101 /nfs/dbraw/zinc/56/51/01/1247565101.db2.gz YWKAUANLGASBCV-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001054225790 1247774538 /nfs/dbraw/zinc/77/45/38/1247774538.db2.gz DLNSSNSUIYYYHT-OAQYLSRUSA-N 2 1 343.515 2.056 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663402 1247817181 /nfs/dbraw/zinc/81/71/81/1247817181.db2.gz RHTICNGTKRCIOJ-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663402 1247817193 /nfs/dbraw/zinc/81/71/93/1247817193.db2.gz RHTICNGTKRCIOJ-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]1C ZINC001074878044 1257186718 /nfs/dbraw/zinc/18/67/18/1257186718.db2.gz XNHYZGSKLXRPOM-GJYPPUQNSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001099106927 1257970455 /nfs/dbraw/zinc/97/04/55/1257970455.db2.gz SDBGWDMHXLPKSH-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106927 1257970459 /nfs/dbraw/zinc/97/04/59/1257970459.db2.gz SDBGWDMHXLPKSH-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106927 1257970462 /nfs/dbraw/zinc/97/04/62/1257970462.db2.gz SDBGWDMHXLPKSH-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC[C@H](C)F)C3)CC1 ZINC001099174302 1257993593 /nfs/dbraw/zinc/99/35/93/1257993593.db2.gz GVUDQAHQMZUEMP-QRFRQXIXSA-N 2 1 349.494 2.050 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099250590 1258034825 /nfs/dbraw/zinc/03/48/25/1258034825.db2.gz VEVJNELGNYKKFY-KFWWJZLASA-N 2 1 347.425 2.414 20 30 EEEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)COCC[NH+](C)C ZINC001099310554 1258071763 /nfs/dbraw/zinc/07/17/63/1258071763.db2.gz PKKBGPNVZAJSIX-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCC2)C1 ZINC001099448068 1258151865 /nfs/dbraw/zinc/15/18/65/1258151865.db2.gz CINKVNDTEDWHTO-ZJOUEHCJSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCC2)C1 ZINC001099448068 1258151870 /nfs/dbraw/zinc/15/18/70/1258151870.db2.gz CINKVNDTEDWHTO-ZJOUEHCJSA-N 2 1 343.515 2.102 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099552903 1258201081 /nfs/dbraw/zinc/20/10/81/1258201081.db2.gz QDWYCDWVLUXTJA-RDGPPVDQSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099552903 1258201085 /nfs/dbraw/zinc/20/10/85/1258201085.db2.gz QDWYCDWVLUXTJA-RDGPPVDQSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099552903 1258201089 /nfs/dbraw/zinc/20/10/89/1258201089.db2.gz QDWYCDWVLUXTJA-RDGPPVDQSA-N 2 1 333.520 2.462 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099556031 1258205571 /nfs/dbraw/zinc/20/55/71/1258205571.db2.gz FCTMUSRIGUSOBX-RDGPPVDQSA-N 2 1 333.520 2.462 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556031 1258205576 /nfs/dbraw/zinc/20/55/76/1258205576.db2.gz FCTMUSRIGUSOBX-RDGPPVDQSA-N 2 1 333.520 2.462 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556031 1258205579 /nfs/dbraw/zinc/20/55/79/1258205579.db2.gz FCTMUSRIGUSOBX-RDGPPVDQSA-N 2 1 333.520 2.462 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000815652328 1278166958 /nfs/dbraw/zinc/16/69/58/1278166958.db2.gz YPICZLIOLHCWOA-UHFFFAOYSA-N 2 1 330.432 2.108 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000815652328 1278166963 /nfs/dbraw/zinc/16/69/63/1278166963.db2.gz YPICZLIOLHCWOA-UHFFFAOYSA-N 2 1 330.432 2.108 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186980661 1279337636 /nfs/dbraw/zinc/33/76/36/1279337636.db2.gz BUVDQJFFRGUMMT-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675479 1281012672 /nfs/dbraw/zinc/01/26/72/1281012672.db2.gz ONVCAAOWPGMUCE-FQEVSTJZSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccccc2)C1)C1CCC1 ZINC001190675479 1281012683 /nfs/dbraw/zinc/01/26/83/1281012683.db2.gz ONVCAAOWPGMUCE-FQEVSTJZSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1)C1CCC1 ZINC001190675479 1281012695 /nfs/dbraw/zinc/01/26/95/1281012695.db2.gz ONVCAAOWPGMUCE-FQEVSTJZSA-N 2 1 339.483 2.055 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCCCC=C)C1 ZINC001190723712 1281032386 /nfs/dbraw/zinc/03/23/86/1281032386.db2.gz JCTUASIWYNHQQK-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCCC=C)C1 ZINC001190723712 1281032398 /nfs/dbraw/zinc/03/23/98/1281032398.db2.gz JCTUASIWYNHQQK-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCCCC=C)C1 ZINC001190723712 1281032405 /nfs/dbraw/zinc/03/24/05/1281032405.db2.gz JCTUASIWYNHQQK-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCCCC=C)C1 ZINC001190723712 1281032416 /nfs/dbraw/zinc/03/24/16/1281032416.db2.gz JCTUASIWYNHQQK-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCCCC=C)C1 ZINC001190723712 1281032428 /nfs/dbraw/zinc/03/24/28/1281032428.db2.gz JCTUASIWYNHQQK-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946587 1281723824 /nfs/dbraw/zinc/72/38/24/1281723824.db2.gz DQCGVRSTROEYLG-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191946587 1281723836 /nfs/dbraw/zinc/72/38/36/1281723836.db2.gz DQCGVRSTROEYLG-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191946587 1281723846 /nfs/dbraw/zinc/72/38/46/1281723846.db2.gz DQCGVRSTROEYLG-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001197907421 1284900666 /nfs/dbraw/zinc/90/06/66/1284900666.db2.gz DSYUXXDWHMHBFD-UHFFFAOYSA-N 2 1 348.516 2.386 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001197907421 1284900668 /nfs/dbraw/zinc/90/06/68/1284900668.db2.gz DSYUXXDWHMHBFD-UHFFFAOYSA-N 2 1 348.516 2.386 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001197907421 1284900676 /nfs/dbraw/zinc/90/06/76/1284900676.db2.gz DSYUXXDWHMHBFD-UHFFFAOYSA-N 2 1 348.516 2.386 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001197907421 1284900680 /nfs/dbraw/zinc/90/06/80/1284900680.db2.gz DSYUXXDWHMHBFD-UHFFFAOYSA-N 2 1 348.516 2.386 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001071086203 1286760784 /nfs/dbraw/zinc/76/07/84/1286760784.db2.gz UXVAGHZWSMTBKJ-POAQFYNOSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CCCO1 ZINC001201559272 1289665392 /nfs/dbraw/zinc/66/53/92/1289665392.db2.gz TWIAUYZPWQPYIB-QGZVFWFLSA-N 2 1 348.491 2.180 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001211269346 1295791545 /nfs/dbraw/zinc/79/15/45/1295791545.db2.gz PYJIDUZKBGKSKI-KRWDZBQOSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599704 1297294656 /nfs/dbraw/zinc/29/46/56/1297294656.db2.gz LHTPOVCFKLBTFQ-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599704 1297294668 /nfs/dbraw/zinc/29/46/68/1297294668.db2.gz LHTPOVCFKLBTFQ-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599704 1297294679 /nfs/dbraw/zinc/29/46/79/1297294679.db2.gz LHTPOVCFKLBTFQ-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001276775294 1297592055 /nfs/dbraw/zinc/59/20/55/1297592055.db2.gz IBTDNGDFYZGLCW-YQQQUEKLSA-N 2 1 342.487 2.236 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001074414722 1298104089 /nfs/dbraw/zinc/10/40/89/1298104089.db2.gz DGYUZGVJMRUARV-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001074414722 1298104095 /nfs/dbraw/zinc/10/40/95/1298104095.db2.gz DGYUZGVJMRUARV-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353867 1299077532 /nfs/dbraw/zinc/07/75/32/1299077532.db2.gz HYHSLHIISXTYFG-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001099527165 1299189290 /nfs/dbraw/zinc/18/92/90/1299189290.db2.gz BXIFDXRIPKJFNS-RDGPPVDQSA-N 2 1 345.531 2.156 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099527165 1299189297 /nfs/dbraw/zinc/18/92/97/1299189297.db2.gz BXIFDXRIPKJFNS-RDGPPVDQSA-N 2 1 345.531 2.156 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099527165 1299189306 /nfs/dbraw/zinc/18/93/06/1299189306.db2.gz BXIFDXRIPKJFNS-RDGPPVDQSA-N 2 1 345.531 2.156 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001099548723 1299210076 /nfs/dbraw/zinc/21/00/76/1299210076.db2.gz ZOLGIRXGQWLOGM-RDGPPVDQSA-N 2 1 343.515 2.217 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001102601838 1301276024 /nfs/dbraw/zinc/27/60/24/1301276024.db2.gz RUZOCJLGSMGLOA-VQIMIIECSA-N 2 1 342.487 2.083 20 30 EEEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001102601838 1301276030 /nfs/dbraw/zinc/27/60/30/1301276030.db2.gz RUZOCJLGSMGLOA-VQIMIIECSA-N 2 1 342.487 2.083 20 30 EEEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001102601838 1301276036 /nfs/dbraw/zinc/27/60/36/1301276036.db2.gz RUZOCJLGSMGLOA-VQIMIIECSA-N 2 1 342.487 2.083 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001103050204 1302129753 /nfs/dbraw/zinc/12/97/53/1302129753.db2.gz WXAJMMNWJRLPNU-HUUCEWRRSA-N 2 1 333.501 2.131 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1cccnc1 ZINC001230783376 1303454569 /nfs/dbraw/zinc/45/45/69/1303454569.db2.gz GMNKJWDXLZZGLN-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1cccc(C#N)c1 ZINC001232364760 1304094252 /nfs/dbraw/zinc/09/42/52/1304094252.db2.gz YIMHRAUAYQPPLT-UHFFFAOYSA-N 2 1 335.455 2.337 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111988490 1304134919 /nfs/dbraw/zinc/13/49/19/1304134919.db2.gz JROYPWLOAQYJIH-ICSRJNTNSA-N 2 1 331.504 2.247 20 30 EEEDMP Cc1cc(F)cc(C[N@H+](C2CC[NH2+]CC2)[C@H]2CCN[C@H](C#N)C2)c1 ZINC001246952878 1310476173 /nfs/dbraw/zinc/47/61/73/1310476173.db2.gz ZDDPRXDLQYRVEJ-HKUYNNGSSA-N 2 1 330.451 2.332 20 30 EEEDMP Cc1cc(F)cc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CCN[C@H](C#N)C2)c1 ZINC001246952878 1310476176 /nfs/dbraw/zinc/47/61/76/1310476176.db2.gz ZDDPRXDLQYRVEJ-HKUYNNGSSA-N 2 1 330.451 2.332 20 30 EEEDMP C=CCC[C@@H]([NH3+])c1nc(-c2cccc(N3CC[NH+](C)CC3)c2)no1 ZINC001247622611 1310651938 /nfs/dbraw/zinc/65/19/38/1310651938.db2.gz ONZSGMFMICWRLZ-MRXNPFEDSA-N 2 1 327.432 2.454 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150394446 1316254252 /nfs/dbraw/zinc/25/42/52/1316254252.db2.gz JFFZJLQIYLJRTK-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CCOC)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001151174832 1316466839 /nfs/dbraw/zinc/46/68/39/1316466839.db2.gz LFBKFLKDJRAMDO-OAHLLOKOSA-N 2 1 345.915 2.066 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109508 1318412323 /nfs/dbraw/zinc/41/23/23/1318412323.db2.gz PVCHVGUJZNQAFO-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157109508 1318412333 /nfs/dbraw/zinc/41/23/33/1318412333.db2.gz PVCHVGUJZNQAFO-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157109508 1318412343 /nfs/dbraw/zinc/41/23/43/1318412343.db2.gz PVCHVGUJZNQAFO-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP Cc1nc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)c(Cl)cc1C#N ZINC001157847985 1318903026 /nfs/dbraw/zinc/90/30/26/1318903026.db2.gz LSNQMVGMTIVZNF-UHFFFAOYSA-N 2 1 347.894 2.379 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1ccc(Cl)cc1 ZINC001160209501 1320099770 /nfs/dbraw/zinc/09/97/70/1320099770.db2.gz NDIQZWQAAUSDBI-SFHVURJKSA-N 2 1 347.890 2.076 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1ccc(Cl)cc1 ZINC001160209501 1320099773 /nfs/dbraw/zinc/09/97/73/1320099773.db2.gz NDIQZWQAAUSDBI-SFHVURJKSA-N 2 1 347.890 2.076 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001160209560 1320100490 /nfs/dbraw/zinc/10/04/90/1320100490.db2.gz QLQNPZTXWBNRBN-HOTGVXAUSA-N 2 1 341.446 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001160209560 1320100493 /nfs/dbraw/zinc/10/04/93/1320100493.db2.gz QLQNPZTXWBNRBN-HOTGVXAUSA-N 2 1 341.446 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161699297 1320592401 /nfs/dbraw/zinc/59/24/01/1320592401.db2.gz RFCDNRCHUDCFSS-INIZCTEOSA-N 2 1 325.884 2.219 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161699297 1320592404 /nfs/dbraw/zinc/59/24/04/1320592404.db2.gz RFCDNRCHUDCFSS-INIZCTEOSA-N 2 1 325.884 2.219 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161699297 1320592407 /nfs/dbraw/zinc/59/24/07/1320592407.db2.gz RFCDNRCHUDCFSS-INIZCTEOSA-N 2 1 325.884 2.219 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161699297 1320592411 /nfs/dbraw/zinc/59/24/11/1320592411.db2.gz RFCDNRCHUDCFSS-INIZCTEOSA-N 2 1 325.884 2.219 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001163820595 1321224960 /nfs/dbraw/zinc/22/49/60/1321224960.db2.gz GLOJYYZUTAKVQI-MRXNPFEDSA-N 2 1 346.500 2.090 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001166759802 1321783482 /nfs/dbraw/zinc/78/34/82/1321783482.db2.gz ZALCGWMRDRDYKD-UHFFFAOYSA-N 2 1 345.462 2.005 20 30 EEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)C12CCC2 ZINC001203492715 1321895279 /nfs/dbraw/zinc/89/52/79/1321895279.db2.gz NONPFONRYCCPDG-ROUUACIJSA-N 2 1 349.519 2.082 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206856868 1323634640 /nfs/dbraw/zinc/63/46/40/1323634640.db2.gz DMLQRXRPYDMJRV-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001208331697 1324432183 /nfs/dbraw/zinc/43/21/83/1324432183.db2.gz VZDVOCIQKLRAIV-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001208453639 1324505999 /nfs/dbraw/zinc/50/59/99/1324505999.db2.gz MBJDJMNQGCGSFV-AWEZNQCLSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001210483518 1325304926 /nfs/dbraw/zinc/30/49/26/1325304926.db2.gz ZVHRJFHMOSLFHZ-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001276687261 1325350147 /nfs/dbraw/zinc/35/01/47/1325350147.db2.gz ATKHHKYFIUKURQ-HXUWFJFHSA-N 2 1 341.503 2.193 20 30 EEEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001276687261 1325350156 /nfs/dbraw/zinc/35/01/56/1325350156.db2.gz ATKHHKYFIUKURQ-HXUWFJFHSA-N 2 1 341.503 2.193 20 30 EEEDMP Cc1[nH+]ccn1CCCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001331957392 1335688006 /nfs/dbraw/zinc/68/80/06/1335688006.db2.gz DKKDDTCZYZUINV-UHFFFAOYSA-N 2 1 325.416 2.462 20 30 EEEDMP COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001579185745 1344349276 /nfs/dbraw/zinc/34/92/76/1344349276.db2.gz MELBTUFROBWCHS-KVSKMBFKSA-N 2 1 329.444 2.285 20 30 EEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1OC ZINC001198903161 1368652304 /nfs/dbraw/zinc/65/23/04/1368652304.db2.gz VXKAZYJQNSILDH-AEFFLSMTSA-N 2 1 345.487 2.360 20 30 EEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001121340690 1371869708 /nfs/dbraw/zinc/86/97/08/1371869708.db2.gz FCLVVGSWDVSZJI-UHFFFAOYSA-N 2 1 331.504 2.290 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001368474200 1374416148 /nfs/dbraw/zinc/41/61/48/1374416148.db2.gz FRESLVKXNXUSLW-GOSISDBHSA-N 2 1 340.471 2.171 20 30 EEEDMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001371769298 1375626323 /nfs/dbraw/zinc/62/63/23/1375626323.db2.gz JKEMJEZEJYZZAD-CQSZACIVSA-N 2 1 346.450 2.166 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001390076824 1388431846 /nfs/dbraw/zinc/43/18/46/1388431846.db2.gz OKIJORIKLRAGQY-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001390076824 1388431848 /nfs/dbraw/zinc/43/18/48/1388431848.db2.gz OKIJORIKLRAGQY-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001390076824 1388431851 /nfs/dbraw/zinc/43/18/51/1388431851.db2.gz OKIJORIKLRAGQY-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001390152086 1388463941 /nfs/dbraw/zinc/46/39/41/1388463941.db2.gz AYESTQQQXJDIAT-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001379764255 1380873734 /nfs/dbraw/zinc/87/37/34/1380873734.db2.gz GBMSUZZAKNVADV-XJKSGUPXSA-N 2 1 336.505 2.142 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001379764255 1380873737 /nfs/dbraw/zinc/87/37/37/1380873737.db2.gz GBMSUZZAKNVADV-XJKSGUPXSA-N 2 1 336.505 2.142 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001381177932 1381547538 /nfs/dbraw/zinc/54/75/38/1381547538.db2.gz YJVOXNKHPHUCQD-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001391650466 1389500264 /nfs/dbraw/zinc/50/02/64/1389500264.db2.gz PLNFTPKLNVLSRU-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001391650466 1389500268 /nfs/dbraw/zinc/50/02/68/1389500268.db2.gz PLNFTPKLNVLSRU-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001391650466 1389500270 /nfs/dbraw/zinc/50/02/70/1389500270.db2.gz PLNFTPKLNVLSRU-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001391650466 1389500273 /nfs/dbraw/zinc/50/02/73/1389500273.db2.gz PLNFTPKLNVLSRU-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(CC)CC)C1 ZINC001752800787 1406421449 /nfs/dbraw/zinc/42/14/49/1406421449.db2.gz YQSIBIZRLLGIRM-OALUTQOASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(CC)CC)C1 ZINC001752800787 1406421452 /nfs/dbraw/zinc/42/14/52/1406421452.db2.gz YQSIBIZRLLGIRM-OALUTQOASA-N 2 1 333.520 2.348 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001397100260 1391078343 /nfs/dbraw/zinc/07/83/43/1391078343.db2.gz QWLNAJGRORIQRZ-WOVMCDHWSA-N 2 1 346.450 2.024 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]C/C=C\Cl)CC1 ZINC001753273769 1406728452 /nfs/dbraw/zinc/72/84/52/1406728452.db2.gz MCRHXNWRDRYDHC-DBFKFLLRSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]C/C=C\Cl)CC1 ZINC001753273769 1406728457 /nfs/dbraw/zinc/72/84/57/1406728457.db2.gz MCRHXNWRDRYDHC-DBFKFLLRSA-N 2 1 337.895 2.053 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001399941903 1395702911 /nfs/dbraw/zinc/70/29/11/1395702911.db2.gz WTDNUEGXYNXQER-WMLDXEAASA-N 2 1 348.516 2.144 20 30 EEEDMP CN(CC[N@H+](C)Cc1ccc(C#N)s1)C(=O)CC1CC[NH+](C)CC1 ZINC001401401369 1397239656 /nfs/dbraw/zinc/23/96/56/1397239656.db2.gz QRCREVYLEPTWGR-UHFFFAOYSA-N 2 1 348.516 2.242 20 30 EEEDMP CN(CC[N@@H+](C)Cc1ccc(C#N)s1)C(=O)CC1CC[NH+](C)CC1 ZINC001401401369 1397239657 /nfs/dbraw/zinc/23/96/57/1397239657.db2.gz QRCREVYLEPTWGR-UHFFFAOYSA-N 2 1 348.516 2.242 20 30 EEEDMP C=CCCC[NH2+][C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC001755118163 1407128364 /nfs/dbraw/zinc/12/83/64/1407128364.db2.gz FMZNGMBMMVZXSP-YJBOKZPZSA-N 2 1 339.443 2.284 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)Cc2cccc(C#N)c2)CC1 ZINC001425432407 1401561314 /nfs/dbraw/zinc/56/13/14/1401561314.db2.gz IYCWJYXFVSVKOB-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001425432407 1401561317 /nfs/dbraw/zinc/56/13/17/1401561317.db2.gz IYCWJYXFVSVKOB-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001425432407 1401561323 /nfs/dbraw/zinc/56/13/23/1401561323.db2.gz IYCWJYXFVSVKOB-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001755184061 1407189317 /nfs/dbraw/zinc/18/93/17/1407189317.db2.gz MMBGTVKTTQHLEB-UHFFFAOYSA-N 2 1 333.520 2.445 20 30 EEEDMP C[N@H+](CC#Cc1ccccc1Cl)CCCNC(=O)C[NH+]1CCCC1 ZINC001752112437 1406212996 /nfs/dbraw/zinc/21/29/96/1406212996.db2.gz DOGRMSOGYGWEKW-UHFFFAOYSA-N 2 1 347.890 2.225 20 30 EEEDMP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001755490010 1407526826 /nfs/dbraw/zinc/52/68/26/1407526826.db2.gz IHBXESYASWVBHW-MJGOQNOKSA-N 2 1 327.472 2.007 20 30 EEEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)c(F)c1 ZINC001755902531 1407978646 /nfs/dbraw/zinc/97/86/46/1407978646.db2.gz JAMZAYVRNOYRMB-GOSISDBHSA-N 2 1 331.435 2.039 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC/C=C/CCC)C1 ZINC001100415384 1410653266 /nfs/dbraw/zinc/65/32/66/1410653266.db2.gz NRCORWGBZNCWJP-XIMCWOHTSA-N 2 1 331.504 2.315 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC/C=C/CCC)C1 ZINC001100415384 1410653269 /nfs/dbraw/zinc/65/32/69/1410653269.db2.gz NRCORWGBZNCWJP-XIMCWOHTSA-N 2 1 331.504 2.315 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001112397053 1410895834 /nfs/dbraw/zinc/89/58/34/1410895834.db2.gz QKNXGDIATUGXOE-ZVDOUQERSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211625376 761219910 /nfs/dbraw/zinc/21/99/10/761219910.db2.gz CRUMBXGWCISGGL-RBUKOAKNSA-N 2 1 341.499 2.324 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@@H]21 ZINC001087309238 761576200 /nfs/dbraw/zinc/57/62/00/761576200.db2.gz DEXNUSZKHGAFJP-MISYRCLQSA-N 2 1 345.531 2.347 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967819 782664360 /nfs/dbraw/zinc/66/43/60/782664360.db2.gz NMKQVMTWVMRYST-CEXWTWQISA-N 2 1 331.504 2.075 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001213437782 770028781 /nfs/dbraw/zinc/02/87/81/770028781.db2.gz JKVIGBSFCKAUBE-RCCFBDPRSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001213437782 770028792 /nfs/dbraw/zinc/02/87/92/770028792.db2.gz JKVIGBSFCKAUBE-RCCFBDPRSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001213437782 770028797 /nfs/dbraw/zinc/02/87/97/770028797.db2.gz JKVIGBSFCKAUBE-RCCFBDPRSA-N 2 1 339.524 2.257 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C(C)C)CC(C)(C)C2)CC1 ZINC001089560832 770359780 /nfs/dbraw/zinc/35/97/80/770359780.db2.gz IETSCBFSQMRGBD-SFHVURJKSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088141846 782970854 /nfs/dbraw/zinc/97/08/54/782970854.db2.gz GOJPQRRQAIGRRI-UXHICEINSA-N 2 1 339.483 2.165 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980080087 773833420 /nfs/dbraw/zinc/83/34/20/773833420.db2.gz AJQWNFQRXGETMH-BZSNNMDCSA-N 2 1 331.504 2.408 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886661 774010248 /nfs/dbraw/zinc/01/02/48/774010248.db2.gz VQFJAJJUUDTOOD-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027886661 774010253 /nfs/dbraw/zinc/01/02/53/774010253.db2.gz VQFJAJJUUDTOOD-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027886661 774010257 /nfs/dbraw/zinc/01/02/57/774010257.db2.gz VQFJAJJUUDTOOD-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779268 783186943 /nfs/dbraw/zinc/18/69/43/783186943.db2.gz LWOUMMNEMCEXNT-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779268 783186955 /nfs/dbraw/zinc/18/69/55/783186955.db2.gz LWOUMMNEMCEXNT-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779268 783186963 /nfs/dbraw/zinc/18/69/63/783186963.db2.gz LWOUMMNEMCEXNT-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997587429 790355953 /nfs/dbraw/zinc/35/59/53/790355953.db2.gz RPMWZENEOJXPMT-WMLDXEAASA-N 2 1 339.911 2.297 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)cc1 ZINC001027971558 775434714 /nfs/dbraw/zinc/43/47/14/775434714.db2.gz HJRMQPNZWOBLEO-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001027971558 775434717 /nfs/dbraw/zinc/43/47/17/775434717.db2.gz HJRMQPNZWOBLEO-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001027971558 775434720 /nfs/dbraw/zinc/43/47/20/775434720.db2.gz HJRMQPNZWOBLEO-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1occc1C[NH+](C)C ZINC001089856655 778338051 /nfs/dbraw/zinc/33/80/51/778338051.db2.gz ULSNNUHKEUBUNM-HPBDAGMYSA-N 2 1 343.471 2.310 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001089858450 778465571 /nfs/dbraw/zinc/46/55/71/778465571.db2.gz AVOBTIRLTHXTIR-VJANTYMQSA-N 2 1 345.531 2.463 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001089858450 778465575 /nfs/dbraw/zinc/46/55/75/778465575.db2.gz AVOBTIRLTHXTIR-VJANTYMQSA-N 2 1 345.531 2.463 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001089858450 778465577 /nfs/dbraw/zinc/46/55/77/778465577.db2.gz AVOBTIRLTHXTIR-VJANTYMQSA-N 2 1 345.531 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982279743 779507978 /nfs/dbraw/zinc/50/79/78/779507978.db2.gz GGSFXIYVDKGTTQ-YSIASYRMSA-N 2 1 331.504 2.075 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982305994 779657688 /nfs/dbraw/zinc/65/76/88/779657688.db2.gz CLUDEUJVPXXXLL-JYRKZWEQSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982305994 779657692 /nfs/dbraw/zinc/65/76/92/779657692.db2.gz CLUDEUJVPXXXLL-JYRKZWEQSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982305994 779657696 /nfs/dbraw/zinc/65/76/96/779657696.db2.gz CLUDEUJVPXXXLL-JYRKZWEQSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035196101 784027162 /nfs/dbraw/zinc/02/71/62/784027162.db2.gz SPGRQVOOMCHCMQ-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196101 784027166 /nfs/dbraw/zinc/02/71/66/784027166.db2.gz SPGRQVOOMCHCMQ-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196101 784027172 /nfs/dbraw/zinc/02/71/72/784027172.db2.gz SPGRQVOOMCHCMQ-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035257694 784207708 /nfs/dbraw/zinc/20/77/08/784207708.db2.gz BVGBEGDXHVQNAJ-OAHLLOKOSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001035257694 784207716 /nfs/dbraw/zinc/20/77/16/784207716.db2.gz BVGBEGDXHVQNAJ-OAHLLOKOSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001035257694 784207720 /nfs/dbraw/zinc/20/77/20/784207720.db2.gz BVGBEGDXHVQNAJ-OAHLLOKOSA-N 2 1 325.884 2.005 20 30 EEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997787247 791094956 /nfs/dbraw/zinc/09/49/56/791094956.db2.gz ZSBSZCCYOZXHHT-HKUYNNGSSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544348 787565751 /nfs/dbraw/zinc/56/57/51/787565751.db2.gz YWQLAYVWDFGHHY-QWFCFKBJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566652 787672011 /nfs/dbraw/zinc/67/20/11/787672011.db2.gz DFXNXZOIWZZTJL-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107817723 788559717 /nfs/dbraw/zinc/55/97/17/788559717.db2.gz WHBLIABHICBAOD-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC000997148942 789148067 /nfs/dbraw/zinc/14/80/67/789148067.db2.gz LNIGYSWEFIKMBA-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC000997148942 789148071 /nfs/dbraw/zinc/14/80/71/789148071.db2.gz LNIGYSWEFIKMBA-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001005986753 789156373 /nfs/dbraw/zinc/15/63/73/789156373.db2.gz LTKBVWUTKUFLHB-IBGZPJMESA-N 2 1 337.483 2.145 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946892721 789413161 /nfs/dbraw/zinc/41/31/61/789413161.db2.gz JMZOJRBMILHVSB-IYBDPMFKSA-N 2 1 325.884 2.005 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997192044 789416092 /nfs/dbraw/zinc/41/60/92/789416092.db2.gz UMKZBDQLBVJGBY-IEBWSBKVSA-N 2 1 333.520 2.347 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001091100335 789804345 /nfs/dbraw/zinc/80/43/45/789804345.db2.gz QCYIHHWJFHRVIG-XUJQIHCRSA-N 2 1 340.471 2.027 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001146334613 791178895 /nfs/dbraw/zinc/17/88/95/791178895.db2.gz YGNZCDQQDFEKDF-HUUCEWRRSA-N 2 1 339.443 2.136 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001146591860 791359947 /nfs/dbraw/zinc/35/99/47/791359947.db2.gz HPWSWJBBWDUEPF-GJZGRUSLSA-N 2 1 348.466 2.410 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098404 792095217 /nfs/dbraw/zinc/09/52/17/792095217.db2.gz PBACDFASNBFRCD-IAGOWNOFSA-N 2 1 339.499 2.296 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086927045 793006300 /nfs/dbraw/zinc/00/63/00/793006300.db2.gz QPYCHINFBPXELI-QGZVFWFLSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956093 793097556 /nfs/dbraw/zinc/09/75/56/793097556.db2.gz DZIZYGBURXGTBL-HZPDHXFCSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947723 793452519 /nfs/dbraw/zinc/45/25/19/793452519.db2.gz MHILQRMLPLDQRK-LMNJBCLMSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947723 793452523 /nfs/dbraw/zinc/45/25/23/793452523.db2.gz MHILQRMLPLDQRK-LMNJBCLMSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947723 793452528 /nfs/dbraw/zinc/45/25/28/793452528.db2.gz MHILQRMLPLDQRK-LMNJBCLMSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092069425 793532283 /nfs/dbraw/zinc/53/22/83/793532283.db2.gz MMFFODHIAABJCL-XLIONFOSSA-N 2 1 342.487 2.200 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092069425 793532288 /nfs/dbraw/zinc/53/22/88/793532288.db2.gz MMFFODHIAABJCL-XLIONFOSSA-N 2 1 342.487 2.200 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC2(CCOCC2)C1 ZINC001089939408 793764285 /nfs/dbraw/zinc/76/42/85/793764285.db2.gz PCUGHSVBBJKMQU-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC2(CCOCC2)C1 ZINC001089939408 793764291 /nfs/dbraw/zinc/76/42/91/793764291.db2.gz PCUGHSVBBJKMQU-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC2(CCOCC2)C1 ZINC001089939408 793764296 /nfs/dbraw/zinc/76/42/96/793764296.db2.gz PCUGHSVBBJKMQU-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093224226 794879019 /nfs/dbraw/zinc/87/90/19/794879019.db2.gz OETPCADNPLHHSA-SJLPKXTDSA-N 2 1 327.472 2.069 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC001093599203 795440150 /nfs/dbraw/zinc/44/01/50/795440150.db2.gz SMURRQAKCQGWDV-IRXDYDNUSA-N 2 1 349.519 2.127 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094414059 796201607 /nfs/dbraw/zinc/20/16/07/796201607.db2.gz RDKRUCMUWNGRNL-QWFCFKBJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094414059 796201610 /nfs/dbraw/zinc/20/16/10/796201610.db2.gz RDKRUCMUWNGRNL-QWFCFKBJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094414059 796201613 /nfs/dbraw/zinc/20/16/13/796201613.db2.gz RDKRUCMUWNGRNL-QWFCFKBJSA-N 2 1 331.504 2.243 20 30 EEEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172307871 796951377 /nfs/dbraw/zinc/95/13/77/796951377.db2.gz JYUVKCBCXNVFQO-LSTHTHJFSA-N 2 1 326.488 2.199 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082200094 797291484 /nfs/dbraw/zinc/29/14/84/797291484.db2.gz QDHBGRSDDWXJDG-FGTMMUONSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001082200094 797291487 /nfs/dbraw/zinc/29/14/87/797291487.db2.gz QDHBGRSDDWXJDG-FGTMMUONSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001082200094 797291490 /nfs/dbraw/zinc/29/14/90/797291490.db2.gz QDHBGRSDDWXJDG-FGTMMUONSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082743046 797675889 /nfs/dbraw/zinc/67/58/89/797675889.db2.gz DTLLOEPNKZLFFH-IIDMSEBBSA-N 2 1 325.472 2.212 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040822622 798359160 /nfs/dbraw/zinc/35/91/60/798359160.db2.gz NJKXQNIZEAMSKK-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1cnc[nH]1 ZINC001177339288 798873230 /nfs/dbraw/zinc/87/32/30/798873230.db2.gz BLJLZCNONKCDGI-UHFFFAOYSA-N 2 1 330.476 2.364 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001150794487 799445519 /nfs/dbraw/zinc/44/55/19/799445519.db2.gz KQLSDLAICSWIPA-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001150794487 799445524 /nfs/dbraw/zinc/44/55/24/799445524.db2.gz KQLSDLAICSWIPA-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001150794487 799445526 /nfs/dbraw/zinc/44/55/26/799445526.db2.gz KQLSDLAICSWIPA-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)CC[NH+]1CCOCC1 ZINC001179832368 800120977 /nfs/dbraw/zinc/12/09/77/800120977.db2.gz ZHHVKSUPFHKSHR-SFHVURJKSA-N 2 1 339.524 2.330 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181728254 800882681 /nfs/dbraw/zinc/88/26/81/800882681.db2.gz JBQICPUWZRGHTA-WSTZPKSXSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001108215056 801470007 /nfs/dbraw/zinc/47/00/07/801470007.db2.gz AKPFEQDJPGRCNK-IBGZPJMESA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001108215056 801470012 /nfs/dbraw/zinc/47/00/12/801470012.db2.gz AKPFEQDJPGRCNK-IBGZPJMESA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001108215056 801470015 /nfs/dbraw/zinc/47/00/15/801470015.db2.gz AKPFEQDJPGRCNK-IBGZPJMESA-N 2 1 339.524 2.138 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086110081 802199808 /nfs/dbraw/zinc/19/98/08/802199808.db2.gz SNZXIQPJFGXAOI-JYBIWHBTSA-N 2 1 339.483 2.330 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086110081 802199817 /nfs/dbraw/zinc/19/98/17/802199817.db2.gz SNZXIQPJFGXAOI-JYBIWHBTSA-N 2 1 339.483 2.330 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC)CC2)CC1 ZINC001004618933 802496154 /nfs/dbraw/zinc/49/61/54/802496154.db2.gz IEZBGIQWTYJQNG-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086390441 802877572 /nfs/dbraw/zinc/87/75/72/802877572.db2.gz UWFFLVJPQXRSSC-PWKSQPCKSA-N 2 1 345.531 2.395 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086390441 802877578 /nfs/dbraw/zinc/87/75/78/802877578.db2.gz UWFFLVJPQXRSSC-PWKSQPCKSA-N 2 1 345.531 2.395 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086413320 802915341 /nfs/dbraw/zinc/91/53/41/802915341.db2.gz CKELADGTRBTSEA-JYJNAYRXSA-N 2 1 327.900 2.344 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946729204 802916457 /nfs/dbraw/zinc/91/64/57/802916457.db2.gz XVNPABMVKUBTHE-CEXWTWQISA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946729204 802916463 /nfs/dbraw/zinc/91/64/63/802916463.db2.gz XVNPABMVKUBTHE-CEXWTWQISA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946729204 802916468 /nfs/dbraw/zinc/91/64/68/802916468.db2.gz XVNPABMVKUBTHE-CEXWTWQISA-N 2 1 333.520 2.465 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033197534 803044408 /nfs/dbraw/zinc/04/44/08/803044408.db2.gz IEJBGLJLBJBAAC-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033197534 803044416 /nfs/dbraw/zinc/04/44/16/803044416.db2.gz IEJBGLJLBJBAAC-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033197534 803044424 /nfs/dbraw/zinc/04/44/24/803044424.db2.gz IEJBGLJLBJBAAC-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001108405313 803475927 /nfs/dbraw/zinc/47/59/27/803475927.db2.gz YIHPPTKCUJYLLT-IBGZPJMESA-N 2 1 337.508 2.036 20 30 EEEDMP C=C/C(=[NH+]\COC)n1cc(C[C@@](C)([NH3+])C(=O)OC)c2ccccc21 ZINC001169112924 803633151 /nfs/dbraw/zinc/63/31/51/803633151.db2.gz RMGJEXIQGGBCMY-RILMWAFASA-N 2 1 329.400 2.111 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169808721 804084747 /nfs/dbraw/zinc/08/47/47/804084747.db2.gz DHAQLQQFWXXCNM-VQIMIIECSA-N 2 1 342.487 2.417 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001112964477 807714881 /nfs/dbraw/zinc/71/48/81/807714881.db2.gz XVRKURPGVDXCHW-PKOBYXMFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001446421670 1100834328 /nfs/dbraw/zinc/83/43/28/1100834328.db2.gz QMBWQSFFNMQIPV-KBPBESRZSA-N 2 1 346.313 2.206 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001446565504 1101048554 /nfs/dbraw/zinc/04/85/54/1101048554.db2.gz QQQHVRSWKFFZNZ-HXUWFJFHSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001446565504 1101048560 /nfs/dbraw/zinc/04/85/60/1101048560.db2.gz QQQHVRSWKFFZNZ-HXUWFJFHSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001446565504 1101048566 /nfs/dbraw/zinc/04/85/66/1101048566.db2.gz QQQHVRSWKFFZNZ-HXUWFJFHSA-N 2 1 342.487 2.371 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001447635294 1103005369 /nfs/dbraw/zinc/00/53/69/1103005369.db2.gz MZRUXEPLZGEJPA-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001507129885 1115124071 /nfs/dbraw/zinc/12/40/71/1115124071.db2.gz YWXHOXWJFOBZDS-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248124425 160338031 /nfs/dbraw/zinc/33/80/31/160338031.db2.gz NTPWYRLOHYCAKG-DLBZAZTESA-N 2 1 329.444 2.362 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248124425 160338032 /nfs/dbraw/zinc/33/80/32/160338032.db2.gz NTPWYRLOHYCAKG-DLBZAZTESA-N 2 1 329.444 2.362 20 30 EEEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248124425 160338033 /nfs/dbraw/zinc/33/80/33/160338033.db2.gz NTPWYRLOHYCAKG-DLBZAZTESA-N 2 1 329.444 2.362 20 30 EEEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248124425 160338034 /nfs/dbraw/zinc/33/80/34/160338034.db2.gz NTPWYRLOHYCAKG-DLBZAZTESA-N 2 1 329.444 2.362 20 30 EEEDMP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166471041 463656195 /nfs/dbraw/zinc/65/61/95/463656195.db2.gz MUZUICVKQZYMIJ-QZTJIDSGSA-N 2 1 325.460 2.138 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(CC#N)c1 ZINC000170628275 463686204 /nfs/dbraw/zinc/68/62/04/463686204.db2.gz CEARHLXILFDEGM-LJQANCHMSA-N 2 1 342.487 2.241 20 30 EEEDMP [NH2+]=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1 ZINC000264067185 464278435 /nfs/dbraw/zinc/27/84/35/464278435.db2.gz BSIKPGJSPXDSHT-UHFFFAOYSA-N 2 1 338.459 2.021 20 30 EEEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])N2CCOCC2)cc1 ZINC000264091407 464282686 /nfs/dbraw/zinc/28/26/86/464282686.db2.gz KXMBQLJLKLQXNU-MRXNPFEDSA-N 2 1 330.476 2.208 20 30 EEEDMP C#CCCOc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282234092 464746239 /nfs/dbraw/zinc/74/62/39/464746239.db2.gz FSZWKJYWPMYURL-UHFFFAOYSA-N 2 1 329.488 2.204 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000330009457 465504821 /nfs/dbraw/zinc/50/48/21/465504821.db2.gz HIMQIZLVWSRGTP-IAQYHMDHSA-N 2 1 342.447 2.010 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000330009457 465504823 /nfs/dbraw/zinc/50/48/23/465504823.db2.gz HIMQIZLVWSRGTP-IAQYHMDHSA-N 2 1 342.447 2.010 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000299321593 465696076 /nfs/dbraw/zinc/69/60/76/465696076.db2.gz NGKAJUWODQJVOZ-UHFFFAOYSA-N 2 1 339.483 2.066 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365276408 466764663 /nfs/dbraw/zinc/76/46/63/466764663.db2.gz RIHWJHFBOGCXDK-GOSISDBHSA-N 2 1 330.451 2.298 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365276408 466764668 /nfs/dbraw/zinc/76/46/68/466764668.db2.gz RIHWJHFBOGCXDK-GOSISDBHSA-N 2 1 330.451 2.298 20 30 EEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370707525 466973782 /nfs/dbraw/zinc/97/37/82/466973782.db2.gz FEILNLVVKOPCBP-NQIIRXRSSA-N 2 1 341.499 2.156 20 30 EEEDMP C#CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370707525 466973786 /nfs/dbraw/zinc/97/37/86/466973786.db2.gz FEILNLVVKOPCBP-NQIIRXRSSA-N 2 1 341.499 2.156 20 30 EEEDMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)C1 ZINC000424156790 466993488 /nfs/dbraw/zinc/99/34/88/466993488.db2.gz QCAFSFYDHGFWSP-QAPCUYQASA-N 2 1 344.459 2.367 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000392912830 467428919 /nfs/dbraw/zinc/42/89/19/467428919.db2.gz ZQWHLUQEDDBBMW-ZDUSSCGKSA-N 2 1 345.270 2.278 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000392912830 467428922 /nfs/dbraw/zinc/42/89/22/467428922.db2.gz ZQWHLUQEDDBBMW-ZDUSSCGKSA-N 2 1 345.270 2.278 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528370517 467682265 /nfs/dbraw/zinc/68/22/65/467682265.db2.gz DUOLYYSXIDXCQA-IBGZPJMESA-N 2 1 345.487 2.350 20 30 EEEDMP N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000576693901 468170140 /nfs/dbraw/zinc/17/01/40/468170140.db2.gz MLVSAZSSEVMPSL-MNEFBYGVSA-N 2 1 340.471 2.166 20 30 EEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600714669 468630051 /nfs/dbraw/zinc/63/00/51/468630051.db2.gz BBXROSLALKFUSN-SCTDSRPQSA-N 2 1 345.487 2.256 20 30 EEEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600718258 468632145 /nfs/dbraw/zinc/63/21/45/468632145.db2.gz WOHDEMLWXMSEHG-MJGOQNOKSA-N 2 1 345.487 2.400 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600721429 468633803 /nfs/dbraw/zinc/63/38/03/468633803.db2.gz MGGXJLUHPCDAGK-WMZOPIPTSA-N 2 1 331.460 2.008 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600721422 468634393 /nfs/dbraw/zinc/63/43/93/468634393.db2.gz MGGXJLUHPCDAGK-AEFFLSMTSA-N 2 1 331.460 2.008 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(C(C)=O)c2)CC1 ZINC000562983991 469123121 /nfs/dbraw/zinc/12/31/21/469123121.db2.gz IKTBGQHXJNHOMN-IBGZPJMESA-N 2 1 346.471 2.259 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634702350 470281764 /nfs/dbraw/zinc/28/17/64/470281764.db2.gz FSEYVUIIPMUMFC-OAQYLSRUSA-N 2 1 343.515 2.254 20 30 EEEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N2CCOCC2)C1 ZINC000104162876 534174155 /nfs/dbraw/zinc/17/41/55/534174155.db2.gz XWZLTCKJWACDNK-INIZCTEOSA-N 2 1 330.476 2.065 20 30 EEEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000264986551 535964788 /nfs/dbraw/zinc/96/47/88/535964788.db2.gz AEZDXEPBZRQXPQ-CYBMUJFWSA-N 2 1 334.851 2.424 20 30 EEEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326655 675790311 /nfs/dbraw/zinc/79/03/11/675790311.db2.gz UVTVVHBTTGCPOD-VQIMIIECSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637003 676292399 /nfs/dbraw/zinc/29/23/99/676292399.db2.gz VVIPSELAWKLMHS-LPHOPBHVSA-N 2 1 336.439 2.284 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671659 676327029 /nfs/dbraw/zinc/32/70/29/676327029.db2.gz UWLLKQPNLMRTHQ-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021671659 676327030 /nfs/dbraw/zinc/32/70/30/676327030.db2.gz UWLLKQPNLMRTHQ-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021671659 676327032 /nfs/dbraw/zinc/32/70/32/676327032.db2.gz UWLLKQPNLMRTHQ-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC000971736807 676768398 /nfs/dbraw/zinc/76/83/98/676768398.db2.gz SMCUTHZSEVARAK-OALUTQOASA-N 2 1 342.487 2.177 20 30 EEEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972409433 678699587 /nfs/dbraw/zinc/69/95/87/678699587.db2.gz OKACXFLGCYUCSC-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972409433 678699589 /nfs/dbraw/zinc/69/95/89/678699589.db2.gz OKACXFLGCYUCSC-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972409433 678699590 /nfs/dbraw/zinc/69/95/90/678699590.db2.gz OKACXFLGCYUCSC-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001024365462 679883286 /nfs/dbraw/zinc/88/32/86/679883286.db2.gz AXZCUVYVZKAQNG-WMLDXEAASA-N 2 1 346.500 2.185 20 30 EEEDMP CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001024365462 679883287 /nfs/dbraw/zinc/88/32/87/679883287.db2.gz AXZCUVYVZKAQNG-WMLDXEAASA-N 2 1 346.500 2.185 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001024478528 679951466 /nfs/dbraw/zinc/95/14/66/679951466.db2.gz SPRVEURRMPQDSJ-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001024478528 679951471 /nfs/dbraw/zinc/95/14/71/679951471.db2.gz SPRVEURRMPQDSJ-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001024478528 679951474 /nfs/dbraw/zinc/95/14/74/679951474.db2.gz SPRVEURRMPQDSJ-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982831684 681353040 /nfs/dbraw/zinc/35/30/40/681353040.db2.gz PWLFLAXVPOGWKP-OYRHEFFESA-N 2 1 339.483 2.165 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028648348 681521763 /nfs/dbraw/zinc/52/17/63/681521763.db2.gz YULPUNOACDWBMS-CVEARBPZSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028648348 681521770 /nfs/dbraw/zinc/52/17/70/681521770.db2.gz YULPUNOACDWBMS-CVEARBPZSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028648348 681521776 /nfs/dbraw/zinc/52/17/76/681521776.db2.gz YULPUNOACDWBMS-CVEARBPZSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028648348 681521784 /nfs/dbraw/zinc/52/17/84/681521784.db2.gz YULPUNOACDWBMS-CVEARBPZSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@]2(C)C1 ZINC000982729314 682114850 /nfs/dbraw/zinc/11/48/50/682114850.db2.gz UQNZAYBPZMCFLJ-KDURUIRLSA-N 2 1 328.460 2.118 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@]2(C)C1 ZINC000982729314 682114855 /nfs/dbraw/zinc/11/48/55/682114855.db2.gz UQNZAYBPZMCFLJ-KDURUIRLSA-N 2 1 328.460 2.118 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253583 682342336 /nfs/dbraw/zinc/34/23/36/682342336.db2.gz WKTQQCHLVIMMBF-ROUUACIJSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253583 682342340 /nfs/dbraw/zinc/34/23/40/682342340.db2.gz WKTQQCHLVIMMBF-ROUUACIJSA-N 2 1 328.460 2.060 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277041 682381850 /nfs/dbraw/zinc/38/18/50/682381850.db2.gz MSEWZHWBNYLXGT-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277041 682381852 /nfs/dbraw/zinc/38/18/52/682381852.db2.gz MSEWZHWBNYLXGT-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585073 683041810 /nfs/dbraw/zinc/04/18/10/683041810.db2.gz NFNGVIARRPMTHE-PKOBYXMFSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596784 683078337 /nfs/dbraw/zinc/07/83/37/683078337.db2.gz HHZRMYMXAQEUIS-HOTGVXAUSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC000983900612 683744726 /nfs/dbraw/zinc/74/47/26/683744726.db2.gz HJCTUVSFZWCTEF-LFGUQSLTSA-N 2 1 339.483 2.330 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC000983900612 683744730 /nfs/dbraw/zinc/74/47/30/683744730.db2.gz HJCTUVSFZWCTEF-LFGUQSLTSA-N 2 1 339.483 2.330 20 30 EEEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001026299547 684218960 /nfs/dbraw/zinc/21/89/60/684218960.db2.gz WOVKVTOJKIADKW-CGTJXYLNSA-N 2 1 331.504 2.099 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000985529786 687104554 /nfs/dbraw/zinc/10/45/54/687104554.db2.gz SYVZVTLJFSZSCK-UHFFFAOYSA-N 2 1 339.443 2.380 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027332105 687513713 /nfs/dbraw/zinc/51/37/13/687513713.db2.gz LDGXBGBERKIGPE-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027332105 687513718 /nfs/dbraw/zinc/51/37/18/687513718.db2.gz LDGXBGBERKIGPE-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027332105 687513721 /nfs/dbraw/zinc/51/37/21/687513721.db2.gz LDGXBGBERKIGPE-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027332105 687513728 /nfs/dbraw/zinc/51/37/28/687513728.db2.gz LDGXBGBERKIGPE-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000985793325 687704875 /nfs/dbraw/zinc/70/48/75/687704875.db2.gz QTVVOBGQWLBDON-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001029918213 688292439 /nfs/dbraw/zinc/29/24/39/688292439.db2.gz ZMJWAHDBECOTOS-WOJBJXKFSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001029918213 688292441 /nfs/dbraw/zinc/29/24/41/688292441.db2.gz ZMJWAHDBECOTOS-WOJBJXKFSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001029918213 688292446 /nfs/dbraw/zinc/29/24/46/688292446.db2.gz ZMJWAHDBECOTOS-WOJBJXKFSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001029918213 688292450 /nfs/dbraw/zinc/29/24/50/688292450.db2.gz ZMJWAHDBECOTOS-WOJBJXKFSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC3CCCC3)CC2(C)C)CC1 ZINC000977635910 692847207 /nfs/dbraw/zinc/84/72/07/692847207.db2.gz BFOFSVHYMULJPI-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943772117 1192556518 /nfs/dbraw/zinc/55/65/18/1192556518.db2.gz QGGPYSUNDVWVLP-YJBOKZPZSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943772117 1192556521 /nfs/dbraw/zinc/55/65/21/1192556521.db2.gz QGGPYSUNDVWVLP-YJBOKZPZSA-N 2 1 339.443 2.284 20 30 EEEDMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001266948228 1177872500 /nfs/dbraw/zinc/87/25/00/1177872500.db2.gz LNAJWWOZDWCXDO-YJBOKZPZSA-N 2 1 347.890 2.270 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033700264 1195092662 /nfs/dbraw/zinc/09/26/62/1195092662.db2.gz VPEDLAMXTKTATE-INIZCTEOSA-N 2 1 331.460 2.291 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444578 1196219238 /nfs/dbraw/zinc/21/92/38/1196219238.db2.gz JHIDZWBEFBBEKU-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132154321 1199364950 /nfs/dbraw/zinc/36/49/50/1199364950.db2.gz YROLQVSYXHOVAS-NVXWUHKLSA-N 2 1 342.443 2.120 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001132986253 1200277506 /nfs/dbraw/zinc/27/75/06/1200277506.db2.gz DMVZOPITFYUVFK-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP C#CC[N@H+](C)CCCNCc1cnc2c(C)cc(Br)cn12 ZINC000883131360 1202018108 /nfs/dbraw/zinc/01/81/08/1202018108.db2.gz XXGDHLVGDLXQMG-UHFFFAOYSA-N 2 1 349.276 2.450 20 30 EEEDMP C#CC[N@@H+](C)CCCNCc1cnc2c(C)cc(Br)cn12 ZINC000883131360 1202018111 /nfs/dbraw/zinc/01/81/11/1202018111.db2.gz XXGDHLVGDLXQMG-UHFFFAOYSA-N 2 1 349.276 2.450 20 30 EEEDMP C#CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001275975873 1205613007 /nfs/dbraw/zinc/61/30/07/1205613007.db2.gz ZEIADKOPYGKLSB-HSALFYBXSA-N 2 1 343.515 2.055 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccccc1CC#N)C2 ZINC001276242276 1205850837 /nfs/dbraw/zinc/85/08/37/1205850837.db2.gz IWZDMZNJZDOABL-UHFFFAOYSA-N 2 1 326.488 2.212 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110948796 1206413658 /nfs/dbraw/zinc/41/36/58/1206413658.db2.gz MOHIPPJLQDZOSX-ISARSNTHSA-N 2 1 342.487 2.442 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110948796 1206413659 /nfs/dbraw/zinc/41/36/59/1206413659.db2.gz MOHIPPJLQDZOSX-ISARSNTHSA-N 2 1 342.487 2.442 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001110958950 1206444698 /nfs/dbraw/zinc/44/46/98/1206444698.db2.gz BFTQWFZSHQVBLS-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947537139 1208610750 /nfs/dbraw/zinc/61/07/50/1208610750.db2.gz LMZQQXVGOZNHOT-HOTGVXAUSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947536943 1208611193 /nfs/dbraw/zinc/61/11/93/1208611193.db2.gz KDHQTBPKHIQEFT-LSDHHAIUSA-N 2 1 325.416 2.036 20 30 EEEDMP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000948923190 1209454845 /nfs/dbraw/zinc/45/48/45/1209454845.db2.gz BTVDNRQAYVBJEW-POAQFYNOSA-N 2 1 339.483 2.066 20 30 EEEDMP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000948923190 1209454848 /nfs/dbraw/zinc/45/48/48/1209454848.db2.gz BTVDNRQAYVBJEW-POAQFYNOSA-N 2 1 339.483 2.066 20 30 EEEDMP CC#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000948923190 1209454850 /nfs/dbraw/zinc/45/48/50/1209454850.db2.gz BTVDNRQAYVBJEW-POAQFYNOSA-N 2 1 339.483 2.066 20 30 EEEDMP CC#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000948923190 1209454852 /nfs/dbraw/zinc/45/48/52/1209454852.db2.gz BTVDNRQAYVBJEW-POAQFYNOSA-N 2 1 339.483 2.066 20 30 EEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)CC(C)C ZINC000303774781 1213903863 /nfs/dbraw/zinc/90/38/63/1213903863.db2.gz GCPPOGNRLCXBNT-IRXDYDNUSA-N 3 1 325.545 2.132 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1Br ZINC000303771055 1213903911 /nfs/dbraw/zinc/90/39/11/1213903911.db2.gz CHQIOFVLPWEOBM-CYBMUJFWSA-N 2 1 339.281 2.338 20 30 EEEDMP CCN(CCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000303771912 1213904063 /nfs/dbraw/zinc/90/40/63/1213904063.db2.gz CZOBBXQJKSCYGC-GOSISDBHSA-N 2 1 331.508 2.292 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593476 1215239263 /nfs/dbraw/zinc/23/92/63/1215239263.db2.gz ZBALEANYGNRMHD-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960479682 1216615252 /nfs/dbraw/zinc/61/52/52/1216615252.db2.gz PKFSYWBZVKSHMH-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000960479682 1216615256 /nfs/dbraw/zinc/61/52/56/1216615256.db2.gz PKFSYWBZVKSHMH-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000960479682 1216615258 /nfs/dbraw/zinc/61/52/58/1216615258.db2.gz PKFSYWBZVKSHMH-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960485245 1216620017 /nfs/dbraw/zinc/62/00/17/1216620017.db2.gz CJCLVQULKMGORE-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000960485245 1216620019 /nfs/dbraw/zinc/62/00/19/1216620019.db2.gz CJCLVQULKMGORE-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000960485245 1216620021 /nfs/dbraw/zinc/62/00/21/1216620021.db2.gz CJCLVQULKMGORE-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961277068 1217123900 /nfs/dbraw/zinc/12/39/00/1217123900.db2.gz AGEJWXCNNFMQFN-SJORKVTESA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CC[N@H+](CCC)C3)C2)CC1 ZINC000961290935 1217130773 /nfs/dbraw/zinc/13/07/73/1217130773.db2.gz FDGUJIDZKFUGCI-PMACEKPBSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961396144 1217173252 /nfs/dbraw/zinc/17/32/52/1217173252.db2.gz MLVZPHGWICQYDE-IHPCNDPISA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961396144 1217173253 /nfs/dbraw/zinc/17/32/53/1217173253.db2.gz MLVZPHGWICQYDE-IHPCNDPISA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961396144 1217173254 /nfs/dbraw/zinc/17/32/54/1217173254.db2.gz MLVZPHGWICQYDE-IHPCNDPISA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961400524 1217175571 /nfs/dbraw/zinc/17/55/71/1217175571.db2.gz HSNWQJVWYZQYMF-RBUKOAKNSA-N 2 1 333.520 2.156 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410271 1217179267 /nfs/dbraw/zinc/17/92/67/1217179267.db2.gz GFGICTPXYGCLDC-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410271 1217179269 /nfs/dbraw/zinc/17/92/69/1217179269.db2.gz GFGICTPXYGCLDC-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410271 1217179271 /nfs/dbraw/zinc/17/92/71/1217179271.db2.gz GFGICTPXYGCLDC-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961443894 1217192141 /nfs/dbraw/zinc/19/21/41/1217192141.db2.gz XZYSVJIEIUYCNV-LJQANCHMSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961443894 1217192144 /nfs/dbraw/zinc/19/21/44/1217192144.db2.gz XZYSVJIEIUYCNV-LJQANCHMSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963381690 1217578268 /nfs/dbraw/zinc/57/82/68/1217578268.db2.gz BQDSZPIRLDEBNF-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384293 1217580759 /nfs/dbraw/zinc/58/07/59/1217580759.db2.gz SSEDBMYZBYUWGF-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384103 1217580786 /nfs/dbraw/zinc/58/07/86/1217580786.db2.gz QIBBAAJMLJJAML-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC000963428010 1217622052 /nfs/dbraw/zinc/62/20/52/1217622052.db2.gz JHLAQQCEYXPOSB-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001008539427 1222915585 /nfs/dbraw/zinc/91/55/85/1222915585.db2.gz KJALNDYDSAMARK-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001008539427 1222915588 /nfs/dbraw/zinc/91/55/88/1222915588.db2.gz KJALNDYDSAMARK-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccsc3)C2)CC1 ZINC001009626102 1223308064 /nfs/dbraw/zinc/30/80/64/1223308064.db2.gz ICZNZENNWSLGGP-SFHVURJKSA-N 2 1 345.512 2.174 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014394006 1226557758 /nfs/dbraw/zinc/55/77/58/1226557758.db2.gz AAWFPUZGGXKQMU-MOPGFXCFSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014394006 1226557763 /nfs/dbraw/zinc/55/77/63/1226557763.db2.gz AAWFPUZGGXKQMU-MOPGFXCFSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001014394006 1226557767 /nfs/dbraw/zinc/55/77/67/1226557767.db2.gz AAWFPUZGGXKQMU-MOPGFXCFSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001014394006 1226557771 /nfs/dbraw/zinc/55/77/71/1226557771.db2.gz AAWFPUZGGXKQMU-MOPGFXCFSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016669922 1226756453 /nfs/dbraw/zinc/75/64/53/1226756453.db2.gz MYDXKXLKBUFAMC-RBUKOAKNSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016669922 1226756459 /nfs/dbraw/zinc/75/64/59/1226756459.db2.gz MYDXKXLKBUFAMC-RBUKOAKNSA-N 2 1 343.515 2.245 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001016818081 1226901352 /nfs/dbraw/zinc/90/13/52/1226901352.db2.gz BHIAMOKWMODRDG-OXQOHEQNSA-N 2 1 349.494 2.193 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001020251695 1229584034 /nfs/dbraw/zinc/58/40/34/1229584034.db2.gz ZSFUMUUPZMKUQG-AFYVEPGGSA-N 2 1 339.483 2.390 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001020251695 1229584035 /nfs/dbraw/zinc/58/40/35/1229584035.db2.gz ZSFUMUUPZMKUQG-AFYVEPGGSA-N 2 1 339.483 2.390 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCC2)CC1 ZINC001039042179 1230258315 /nfs/dbraw/zinc/25/83/15/1230258315.db2.gz MYARGYNPFKNYRX-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039163391 1230384476 /nfs/dbraw/zinc/38/44/76/1230384476.db2.gz BQXKYRZGNPXVCR-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039163391 1230384479 /nfs/dbraw/zinc/38/44/79/1230384479.db2.gz BQXKYRZGNPXVCR-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039163391 1230384485 /nfs/dbraw/zinc/38/44/85/1230384485.db2.gz BQXKYRZGNPXVCR-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040277253 1231148232 /nfs/dbraw/zinc/14/82/32/1231148232.db2.gz ZJOHMDYJAOLRKV-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040277253 1231148235 /nfs/dbraw/zinc/14/82/35/1231148235.db2.gz ZJOHMDYJAOLRKV-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040277253 1231148237 /nfs/dbraw/zinc/14/82/37/1231148237.db2.gz ZJOHMDYJAOLRKV-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433238 1231230172 /nfs/dbraw/zinc/23/01/72/1231230172.db2.gz VAZFULYHZUUPDI-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433238 1231230174 /nfs/dbraw/zinc/23/01/74/1231230174.db2.gz VAZFULYHZUUPDI-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433238 1231230177 /nfs/dbraw/zinc/23/01/77/1231230177.db2.gz VAZFULYHZUUPDI-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432148 1231544696 /nfs/dbraw/zinc/54/46/96/1231544696.db2.gz OLUUBBGNEZOZKZ-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432148 1231544698 /nfs/dbraw/zinc/54/46/98/1231544698.db2.gz OLUUBBGNEZOZKZ-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432148 1231544700 /nfs/dbraw/zinc/54/47/00/1231544700.db2.gz OLUUBBGNEZOZKZ-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001041680813 1231648376 /nfs/dbraw/zinc/64/83/76/1231648376.db2.gz VULHQLNXABRBKS-UXHICEINSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041680813 1231648379 /nfs/dbraw/zinc/64/83/79/1231648379.db2.gz VULHQLNXABRBKS-UXHICEINSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041680813 1231648381 /nfs/dbraw/zinc/64/83/81/1231648381.db2.gz VULHQLNXABRBKS-UXHICEINSA-N 2 1 349.494 2.147 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041680816 1231648488 /nfs/dbraw/zinc/64/84/88/1231648488.db2.gz VWEJQILIKMKWAJ-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041680816 1231648489 /nfs/dbraw/zinc/64/84/89/1231648489.db2.gz VWEJQILIKMKWAJ-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC=C(C)C)[C@H]3C2)CC1 ZINC001042367570 1232049545 /nfs/dbraw/zinc/04/95/45/1232049545.db2.gz HZVUGUZRPZNQNZ-QUCCMNQESA-N 2 1 343.515 2.221 20 30 EEEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001045671191 1233898405 /nfs/dbraw/zinc/89/84/05/1233898405.db2.gz FPNIVDFORGZFLK-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045937534 1234191125 /nfs/dbraw/zinc/19/11/25/1234191125.db2.gz FVTFUDXFXLQBPF-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1cncn1C)C2 ZINC001045982101 1234275039 /nfs/dbraw/zinc/27/50/39/1234275039.db2.gz NWYZTSDJFLNIGV-FQEVSTJZSA-N 2 1 342.487 2.081 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001046330337 1234671667 /nfs/dbraw/zinc/67/16/67/1234671667.db2.gz ABTDTIGVOOAALP-MZMPZRCHSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001046330337 1234671673 /nfs/dbraw/zinc/67/16/73/1234671673.db2.gz ABTDTIGVOOAALP-MZMPZRCHSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001046330337 1234671677 /nfs/dbraw/zinc/67/16/77/1234671677.db2.gz ABTDTIGVOOAALP-MZMPZRCHSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001046330337 1234671680 /nfs/dbraw/zinc/67/16/80/1234671680.db2.gz ABTDTIGVOOAALP-MZMPZRCHSA-N 2 1 346.500 2.041 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001046950586 1235346226 /nfs/dbraw/zinc/34/62/26/1235346226.db2.gz IPMPFFAPSNJTLG-OAHLLOKOSA-N 2 1 341.446 2.264 20 30 EEEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047255591 1235758797 /nfs/dbraw/zinc/75/87/97/1235758797.db2.gz BGASKGQXHJISOT-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001048533201 1237893944 /nfs/dbraw/zinc/89/39/44/1237893944.db2.gz SVJSELYVMHNYBB-YRPNKDGESA-N 2 1 343.515 2.243 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001048533201 1237893955 /nfs/dbraw/zinc/89/39/55/1237893955.db2.gz SVJSELYVMHNYBB-YRPNKDGESA-N 2 1 343.515 2.243 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048533201 1237893964 /nfs/dbraw/zinc/89/39/64/1237893964.db2.gz SVJSELYVMHNYBB-YRPNKDGESA-N 2 1 343.515 2.243 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048533201 1237893976 /nfs/dbraw/zinc/89/39/76/1237893976.db2.gz SVJSELYVMHNYBB-YRPNKDGESA-N 2 1 343.515 2.243 20 30 EEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC001000152228 1240003156 /nfs/dbraw/zinc/00/31/56/1240003156.db2.gz BCDDZTBTILZRSA-FUHWJXTLSA-N 2 1 331.504 2.408 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049526189 1241250240 /nfs/dbraw/zinc/25/02/40/1241250240.db2.gz UFTMYCQKYAMSNL-OTWHNJEPSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049526189 1241250247 /nfs/dbraw/zinc/25/02/47/1241250247.db2.gz UFTMYCQKYAMSNL-OTWHNJEPSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049526189 1241250254 /nfs/dbraw/zinc/25/02/54/1241250254.db2.gz UFTMYCQKYAMSNL-OTWHNJEPSA-N 2 1 329.488 2.092 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717544 1241976402 /nfs/dbraw/zinc/97/64/02/1241976402.db2.gz FPWXLCJLNOYHOU-YTQUADARSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717544 1241976409 /nfs/dbraw/zinc/97/64/09/1241976409.db2.gz FPWXLCJLNOYHOU-YTQUADARSA-N 2 1 342.487 2.395 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049764756 1242125485 /nfs/dbraw/zinc/12/54/85/1242125485.db2.gz FGIVAEZQTDYPNQ-GUDVDZBRSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049764669 1242125836 /nfs/dbraw/zinc/12/58/36/1242125836.db2.gz VHKUAYRAWFMEOU-SJORKVTESA-N 2 1 328.460 2.095 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049764669 1242125844 /nfs/dbraw/zinc/12/58/44/1242125844.db2.gz VHKUAYRAWFMEOU-SJORKVTESA-N 2 1 328.460 2.095 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062516 1242755814 /nfs/dbraw/zinc/75/58/14/1242755814.db2.gz VTFRIRAKHWMVFJ-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050062516 1242755818 /nfs/dbraw/zinc/75/58/18/1242755818.db2.gz VTFRIRAKHWMVFJ-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050062516 1242755823 /nfs/dbraw/zinc/75/58/23/1242755823.db2.gz VTFRIRAKHWMVFJ-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP O=C(Cn1ccnc1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001049934488 1242777417 /nfs/dbraw/zinc/77/74/17/1242777417.db2.gz XAGWNKGFANWLBC-UXHICEINSA-N 2 1 348.450 2.000 20 30 EEEDMP O=C(Cn1ccnc1)N1CCC[C@@H]2[C@@H]1CCN2CC#Cc1ccccc1 ZINC001049934488 1242777425 /nfs/dbraw/zinc/77/74/25/1242777425.db2.gz XAGWNKGFANWLBC-UXHICEINSA-N 2 1 348.450 2.000 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)CC1 ZINC001050664348 1244076932 /nfs/dbraw/zinc/07/69/32/1244076932.db2.gz MMPZQPFKXBCBEQ-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028328 1245710702 /nfs/dbraw/zinc/71/07/02/1245710702.db2.gz LDXQDKUXYBZGKW-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+](CC)C3)C2)CC1 ZINC001053054589 1245782958 /nfs/dbraw/zinc/78/29/58/1245782958.db2.gz OAZFIDKEDFIPAN-PMACEKPBSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)O2 ZINC001053701401 1246679631 /nfs/dbraw/zinc/67/96/31/1246679631.db2.gz USYUYMYWUMPVJN-ZWKOTPCHSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001054165597 1247584840 /nfs/dbraw/zinc/58/48/40/1247584840.db2.gz LBBDAAQGVHLQHS-FQEVSTJZSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001054165597 1247584847 /nfs/dbraw/zinc/58/48/47/1247584847.db2.gz LBBDAAQGVHLQHS-FQEVSTJZSA-N 2 1 342.487 2.262 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182328 1247633816 /nfs/dbraw/zinc/63/38/16/1247633816.db2.gz HRXQBIYPERMABK-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182328 1247633827 /nfs/dbraw/zinc/63/38/27/1247633827.db2.gz HRXQBIYPERMABK-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182328 1247633840 /nfs/dbraw/zinc/63/38/40/1247633840.db2.gz HRXQBIYPERMABK-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072109150 1254934574 /nfs/dbraw/zinc/93/45/74/1254934574.db2.gz CDICUZWQNHMYKB-JKSUJKDBSA-N 2 1 331.460 2.337 20 30 EEEDMP C#CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072109150 1254934584 /nfs/dbraw/zinc/93/45/84/1254934584.db2.gz CDICUZWQNHMYKB-JKSUJKDBSA-N 2 1 331.460 2.337 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CC(C)C2)CC1 ZINC001098460817 1257696933 /nfs/dbraw/zinc/69/69/33/1257696933.db2.gz KERPZWPRKFVKQE-XZJNCXDESA-N 2 1 343.515 2.099 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099530016 1258193517 /nfs/dbraw/zinc/19/35/17/1258193517.db2.gz ZCTVICCXCXQYNY-OKYOBFRVSA-N 2 1 345.531 2.156 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001099530016 1258193521 /nfs/dbraw/zinc/19/35/21/1258193521.db2.gz ZCTVICCXCXQYNY-OKYOBFRVSA-N 2 1 345.531 2.156 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001099530016 1258193524 /nfs/dbraw/zinc/19/35/24/1258193524.db2.gz ZCTVICCXCXQYNY-OKYOBFRVSA-N 2 1 345.531 2.156 20 30 EEEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001099536239 1258194477 /nfs/dbraw/zinc/19/44/77/1258194477.db2.gz KHGZNZVPABBIQN-MUGJNUQGSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCCCCC)C1 ZINC001099536239 1258194481 /nfs/dbraw/zinc/19/44/81/1258194481.db2.gz KHGZNZVPABBIQN-MUGJNUQGSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCCCCC)C1 ZINC001099536239 1258194482 /nfs/dbraw/zinc/19/44/82/1258194482.db2.gz KHGZNZVPABBIQN-MUGJNUQGSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001099553710 1258202689 /nfs/dbraw/zinc/20/26/89/1258202689.db2.gz VSEIJVIYHUVJHD-MANSERQUSA-N 2 1 331.504 2.217 20 30 EEEDMP C[NH+](C)CCCn1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cn1 ZINC001186848469 1279266343 /nfs/dbraw/zinc/26/63/43/1279266343.db2.gz RUUPWNYULZBHKT-UHFFFAOYSA-N 2 1 344.488 2.499 20 30 EEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989519 1281736890 /nfs/dbraw/zinc/73/68/90/1281736890.db2.gz YGJPFGQFMMWUEB-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989519 1281736897 /nfs/dbraw/zinc/73/68/97/1281736897.db2.gz YGJPFGQFMMWUEB-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001192342359 1281938577 /nfs/dbraw/zinc/93/85/77/1281938577.db2.gz DIMOFWNUPNNMMY-QUCCMNQESA-N 2 1 339.483 2.055 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001192342359 1281938579 /nfs/dbraw/zinc/93/85/79/1281938579.db2.gz DIMOFWNUPNNMMY-QUCCMNQESA-N 2 1 339.483 2.055 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001192342359 1281938580 /nfs/dbraw/zinc/93/85/80/1281938580.db2.gz DIMOFWNUPNNMMY-QUCCMNQESA-N 2 1 339.483 2.055 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001192342359 1281938581 /nfs/dbraw/zinc/93/85/81/1281938581.db2.gz DIMOFWNUPNNMMY-QUCCMNQESA-N 2 1 339.483 2.055 20 30 EEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192353809 1281946481 /nfs/dbraw/zinc/94/64/81/1281946481.db2.gz ICZNVCJKWVPZCH-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001192353809 1281946486 /nfs/dbraw/zinc/94/64/86/1281946486.db2.gz ICZNVCJKWVPZCH-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001192353809 1281946489 /nfs/dbraw/zinc/94/64/89/1281946489.db2.gz ICZNVCJKWVPZCH-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193289817 1282424461 /nfs/dbraw/zinc/42/44/61/1282424461.db2.gz AAFRZSIPNXELTH-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193289817 1282424462 /nfs/dbraw/zinc/42/44/62/1282424462.db2.gz AAFRZSIPNXELTH-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193289817 1282424469 /nfs/dbraw/zinc/42/44/69/1282424469.db2.gz AAFRZSIPNXELTH-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193289817 1282424476 /nfs/dbraw/zinc/42/44/76/1282424476.db2.gz AAFRZSIPNXELTH-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001196341415 1284008723 /nfs/dbraw/zinc/00/87/23/1284008723.db2.gz OMPCAZPRFSKNIO-DLBZAZTESA-N 2 1 330.476 2.335 20 30 EEEDMP C=CCCC[N@@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001196523299 1284108325 /nfs/dbraw/zinc/10/83/25/1284108325.db2.gz PJCXBXWCHJNGTR-UHFFFAOYSA-N 2 1 330.476 2.262 20 30 EEEDMP C=CCCC[N@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001196523299 1284108330 /nfs/dbraw/zinc/10/83/30/1284108330.db2.gz PJCXBXWCHJNGTR-UHFFFAOYSA-N 2 1 330.476 2.262 20 30 EEEDMP C=CCOCC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197322806 1284567245 /nfs/dbraw/zinc/56/72/45/1284567245.db2.gz FFBXOBTZCNVDQV-UHFFFAOYSA-N 2 1 348.491 2.134 20 30 EEEDMP C=CCOCC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197322806 1284567252 /nfs/dbraw/zinc/56/72/52/1284567252.db2.gz FFBXOBTZCNVDQV-UHFFFAOYSA-N 2 1 348.491 2.134 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001197907740 1284901485 /nfs/dbraw/zinc/90/14/85/1284901485.db2.gz KZQHKOUPSMRNEY-UHFFFAOYSA-N 2 1 342.487 2.324 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001197907740 1284901488 /nfs/dbraw/zinc/90/14/88/1284901488.db2.gz KZQHKOUPSMRNEY-UHFFFAOYSA-N 2 1 342.487 2.324 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001197907740 1284901490 /nfs/dbraw/zinc/90/14/90/1284901490.db2.gz KZQHKOUPSMRNEY-UHFFFAOYSA-N 2 1 342.487 2.324 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001197907740 1284901495 /nfs/dbraw/zinc/90/14/95/1284901495.db2.gz KZQHKOUPSMRNEY-UHFFFAOYSA-N 2 1 342.487 2.324 20 30 EEEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001071106846 1286785387 /nfs/dbraw/zinc/78/53/87/1286785387.db2.gz ZNMIPDOQNBKMMG-QRVBRYPASA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCCO1 ZINC001201639319 1289688229 /nfs/dbraw/zinc/68/82/29/1289688229.db2.gz IYYQUHVUBNKUQY-GOSISDBHSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211293339 1295805280 /nfs/dbraw/zinc/80/52/80/1295805280.db2.gz ZKDCLUXGEVOLSJ-VQIMIIECSA-N 2 1 345.487 2.001 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001072857198 1296232269 /nfs/dbraw/zinc/23/22/69/1296232269.db2.gz OXCADQDPRSNCCX-UHFFFAOYSA-N 2 1 330.819 2.463 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001072857198 1296232283 /nfs/dbraw/zinc/23/22/83/1296232283.db2.gz OXCADQDPRSNCCX-UHFFFAOYSA-N 2 1 330.819 2.463 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410609 1296896779 /nfs/dbraw/zinc/89/67/79/1296896779.db2.gz YEUPNRPNKXGDKW-QGPMSJSTSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801669 1297544688 /nfs/dbraw/zinc/54/46/88/1297544688.db2.gz RFDRVMSXEHVRAW-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801669 1297544693 /nfs/dbraw/zinc/54/46/93/1297544693.db2.gz RFDRVMSXEHVRAW-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801669 1297544698 /nfs/dbraw/zinc/54/46/98/1297544698.db2.gz RFDRVMSXEHVRAW-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001099527163 1299189625 /nfs/dbraw/zinc/18/96/25/1299189625.db2.gz BXIFDXRIPKJFNS-OKYOBFRVSA-N 2 1 345.531 2.156 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099527163 1299189631 /nfs/dbraw/zinc/18/96/31/1299189631.db2.gz BXIFDXRIPKJFNS-OKYOBFRVSA-N 2 1 345.531 2.156 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099527163 1299189638 /nfs/dbraw/zinc/18/96/38/1299189638.db2.gz BXIFDXRIPKJFNS-OKYOBFRVSA-N 2 1 345.531 2.156 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495613 1303035297 /nfs/dbraw/zinc/03/52/97/1303035297.db2.gz KZBNVLUQRRBOJE-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001230113135 1303068433 /nfs/dbraw/zinc/06/84/33/1303068433.db2.gz SWMMXXVDVJLNEM-UHFFFAOYSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001230113135 1303068441 /nfs/dbraw/zinc/06/84/41/1303068441.db2.gz SWMMXXVDVJLNEM-UHFFFAOYSA-N 2 1 334.489 2.042 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc3ccc(C#N)cc3[nH]1)C2 ZINC001277458403 1303244901 /nfs/dbraw/zinc/24/49/01/1303244901.db2.gz XSLGNPUSZISLBU-APWZRJJASA-N 2 1 337.471 2.107 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)CCc1ncc[nH]1)Cc1cccnc1 ZINC001230747841 1303430122 /nfs/dbraw/zinc/43/01/22/1303430122.db2.gz JPDIOFHNCCUFCD-UHFFFAOYSA-N 2 1 341.459 2.322 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001104213759 1303652953 /nfs/dbraw/zinc/65/29/53/1303652953.db2.gz OVOLDULUXJUUER-IXDOHACOSA-N 2 1 330.476 2.104 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001234415361 1304914360 /nfs/dbraw/zinc/91/43/60/1304914360.db2.gz SKENKDBWDSRCPT-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001234415361 1304914361 /nfs/dbraw/zinc/91/43/61/1304914361.db2.gz SKENKDBWDSRCPT-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001234415361 1304914363 /nfs/dbraw/zinc/91/43/63/1304914363.db2.gz SKENKDBWDSRCPT-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001234415361 1304914366 /nfs/dbraw/zinc/91/43/66/1304914366.db2.gz SKENKDBWDSRCPT-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160866367 1320296457 /nfs/dbraw/zinc/29/64/57/1320296457.db2.gz BFAHPEKRAFRDGR-KBPBESRZSA-N 2 1 344.297 2.008 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001150022794 1316130265 /nfs/dbraw/zinc/13/02/65/1316130265.db2.gz PJRJIJCJRHYHJI-GOSISDBHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001150022794 1316130268 /nfs/dbraw/zinc/13/02/68/1316130268.db2.gz PJRJIJCJRHYHJI-GOSISDBHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001150022794 1316130271 /nfs/dbraw/zinc/13/02/71/1316130271.db2.gz PJRJIJCJRHYHJI-GOSISDBHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150589810 1316309097 /nfs/dbraw/zinc/30/90/97/1316309097.db2.gz WUYZDIFEUGLJTJ-GOSISDBHSA-N 2 1 349.519 2.036 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2c(F)cccc2F)CC1 ZINC001152335063 1316658016 /nfs/dbraw/zinc/65/80/16/1316658016.db2.gz YGRWJDFBLZQDCH-CQSZACIVSA-N 2 1 349.425 2.077 20 30 EEEDMP CCCCCCCC[C@@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252129928 1317559059 /nfs/dbraw/zinc/55/90/59/1317559059.db2.gz HEPFAITZRDUAMI-GOSISDBHSA-N 2 1 341.540 2.194 20 30 EEEDMP C=CCOC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252486089 1317614077 /nfs/dbraw/zinc/61/40/77/1317614077.db2.gz SOWMUSAACNHMPQ-IYWMVGAKSA-N 2 1 330.472 2.335 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C#N)c1 ZINC001155900397 1317781080 /nfs/dbraw/zinc/78/10/80/1317781080.db2.gz QXJOJHLYKLBCLB-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001158568220 1319310190 /nfs/dbraw/zinc/31/01/90/1319310190.db2.gz NOGOOBXCKFMRRB-DYXWJJEUSA-N 2 1 339.483 2.418 20 30 EEEDMP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1ccnc1 ZINC001158948962 1319523047 /nfs/dbraw/zinc/52/30/47/1319523047.db2.gz BJVKNMHXWXLYQP-GOSISDBHSA-N 2 1 348.491 2.179 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001160274236 1320119410 /nfs/dbraw/zinc/11/94/10/1320119410.db2.gz RZPICDUGUQTRSG-SFHVURJKSA-N 2 1 328.460 2.029 20 30 EEEDMP C=C[C@@H]1C[C@]1([NH3+])C(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001160958429 1320332679 /nfs/dbraw/zinc/33/26/79/1320332679.db2.gz WLOKZQFAWFOZOQ-ZNWBIBPKSA-N 2 1 327.472 2.259 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356439 1320472482 /nfs/dbraw/zinc/47/24/82/1320472482.db2.gz PBLOFEDTXNUEID-UHFFFAOYSA-N 2 1 328.460 2.168 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356439 1320472484 /nfs/dbraw/zinc/47/24/84/1320472484.db2.gz PBLOFEDTXNUEID-UHFFFAOYSA-N 2 1 328.460 2.168 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704686 1320594299 /nfs/dbraw/zinc/59/42/99/1320594299.db2.gz GBEXTMZBGVHYHP-MOPGFXCFSA-N 2 1 331.504 2.269 20 30 EEEDMP C=CCC[NH+]1CCC(CNC(=O)CC[N@H+](C)CCC)(COC)CC1 ZINC001162581497 1320903573 /nfs/dbraw/zinc/90/35/73/1320903573.db2.gz GUJWLODKIIVVEA-UHFFFAOYSA-N 2 1 339.524 2.139 20 30 EEEDMP C[N@@H+]1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)[C@H](c2ccccc2)C1 ZINC001163669445 1321187450 /nfs/dbraw/zinc/18/74/50/1321187450.db2.gz QVYOLGVZCQYPKR-FQEVSTJZSA-N 2 1 347.466 2.482 20 30 EEEDMP C[N@H+]1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)[C@H](c2ccccc2)C1 ZINC001163669445 1321187451 /nfs/dbraw/zinc/18/74/51/1321187451.db2.gz QVYOLGVZCQYPKR-FQEVSTJZSA-N 2 1 347.466 2.482 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1ccccc1C#N)CC(C)(C)C ZINC001166744194 1321779374 /nfs/dbraw/zinc/77/93/74/1321779374.db2.gz LPWWKRZGHFQPFT-UHFFFAOYSA-N 2 1 330.476 2.132 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)CCC=C)CC1 ZINC001205479353 1323154803 /nfs/dbraw/zinc/15/48/03/1323154803.db2.gz IJSUGLDLDWHQAC-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)CCC=C)CC1 ZINC001205479353 1323154809 /nfs/dbraw/zinc/15/48/09/1323154809.db2.gz IJSUGLDLDWHQAC-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205953447 1323351013 /nfs/dbraw/zinc/35/10/13/1323351013.db2.gz ZOQWGWADPNCJBK-WOJBJXKFSA-N 2 1 336.439 2.220 20 30 EEEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205953447 1323351020 /nfs/dbraw/zinc/35/10/20/1323351020.db2.gz ZOQWGWADPNCJBK-WOJBJXKFSA-N 2 1 336.439 2.220 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001207757709 1324130624 /nfs/dbraw/zinc/13/06/24/1324130624.db2.gz KNGHLUGARVUMBH-CRAIPNDOSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001207757709 1324130628 /nfs/dbraw/zinc/13/06/28/1324130628.db2.gz KNGHLUGARVUMBH-CRAIPNDOSA-N 2 1 342.487 2.225 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209278902 1324881228 /nfs/dbraw/zinc/88/12/28/1324881228.db2.gz SDZURKBPUZSWJS-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209642143 1324997542 /nfs/dbraw/zinc/99/75/42/1324997542.db2.gz MLUXNVBLWLWLHP-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001210493469 1325308447 /nfs/dbraw/zinc/30/84/47/1325308447.db2.gz LOPNWTNIFBUYLA-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2Cl)CC1 ZINC001335986838 1336461029 /nfs/dbraw/zinc/46/10/29/1336461029.db2.gz OLTDDPVMBUSOJP-INIZCTEOSA-N 2 1 336.863 2.157 20 30 EEEDMP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC001580069577 1344463453 /nfs/dbraw/zinc/46/34/53/1344463453.db2.gz DIKULRBJHSWCBH-GJZGRUSLSA-N 2 1 346.862 2.472 20 30 EEEDMP C[N@@H+](CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001100410917 1373038412 /nfs/dbraw/zinc/03/84/12/1373038412.db2.gz TXPYSQFYQXCCOK-UHFFFAOYSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001357572675 1373216712 /nfs/dbraw/zinc/21/67/12/1373216712.db2.gz JRXILPVHCPXHMV-MOPGFXCFSA-N 2 1 345.487 2.077 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001365815276 1373762922 /nfs/dbraw/zinc/76/29/22/1373762922.db2.gz WWISPVUHMIVRIM-HDICACEKSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001755138425 1407148228 /nfs/dbraw/zinc/14/82/28/1407148228.db2.gz MODXYIJOVZCVHF-CVEARBPZSA-N 2 1 327.488 2.459 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001100681635 1410695568 /nfs/dbraw/zinc/69/55/68/1410695568.db2.gz OPRSCQCGSYKCPF-UHFFFAOYSA-N 2 1 349.906 2.398 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104378806 759945216 /nfs/dbraw/zinc/94/52/16/759945216.db2.gz INXGZAXLFMDVKV-GUDVDZBRSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001104845995 765416937 /nfs/dbraw/zinc/41/69/37/765416937.db2.gz DKPIEUXHVBUXCG-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948449496 782596097 /nfs/dbraw/zinc/59/60/97/782596097.db2.gz SBZCXWDIRCIBHA-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948449496 782596101 /nfs/dbraw/zinc/59/61/01/782596101.db2.gz SBZCXWDIRCIBHA-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948449496 782596108 /nfs/dbraw/zinc/59/61/08/782596108.db2.gz SBZCXWDIRCIBHA-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948449496 782596116 /nfs/dbraw/zinc/59/61/16/782596116.db2.gz SBZCXWDIRCIBHA-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(C)C)CC(C)(C)C1 ZINC001089408877 768847716 /nfs/dbraw/zinc/84/77/16/768847716.db2.gz ITGJYNVCPZWETA-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(C)C)CC(C)(C)C1 ZINC001089408877 768847731 /nfs/dbraw/zinc/84/77/31/768847731.db2.gz ITGJYNVCPZWETA-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089408877 768847746 /nfs/dbraw/zinc/84/77/46/768847746.db2.gz ITGJYNVCPZWETA-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089408877 768847756 /nfs/dbraw/zinc/84/77/56/768847756.db2.gz ITGJYNVCPZWETA-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980141774 773933950 /nfs/dbraw/zinc/93/39/50/773933950.db2.gz KLJXOKBIBSSIHZ-CGTJXYLNSA-N 2 1 336.439 2.188 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980220496 774112004 /nfs/dbraw/zinc/11/20/04/774112004.db2.gz ZUMVMTWUPMDDBL-GVDBMIGSSA-N 2 1 340.471 2.001 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028017219 776176903 /nfs/dbraw/zinc/17/69/03/776176903.db2.gz AOCKFJRFOUBMGK-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089849869 777994019 /nfs/dbraw/zinc/99/40/19/777994019.db2.gz KHFWCRIHOJPMEV-NMLBUPMWSA-N 2 1 345.531 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981833941 778305638 /nfs/dbraw/zinc/30/56/38/778305638.db2.gz NONMFXICMOTUJG-QGZVFWFLSA-N 2 1 330.476 2.254 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981833941 778305645 /nfs/dbraw/zinc/30/56/45/778305645.db2.gz NONMFXICMOTUJG-QGZVFWFLSA-N 2 1 330.476 2.254 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138911 778356305 /nfs/dbraw/zinc/35/63/05/778356305.db2.gz ZEOYAKDTALRXIY-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138911 778356315 /nfs/dbraw/zinc/35/63/15/778356315.db2.gz ZEOYAKDTALRXIY-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793703 781606811 /nfs/dbraw/zinc/60/68/11/781606811.db2.gz OGFJOKKTWHIBFG-NLWGTHIKSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793703 781606819 /nfs/dbraw/zinc/60/68/19/781606819.db2.gz OGFJOKKTWHIBFG-NLWGTHIKSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793703 781606824 /nfs/dbraw/zinc/60/68/24/781606824.db2.gz OGFJOKKTWHIBFG-NLWGTHIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001035051966 783657827 /nfs/dbraw/zinc/65/78/27/783657827.db2.gz VCKSPKIKNGSVRO-LSDHHAIUSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035200177 784040968 /nfs/dbraw/zinc/04/09/68/784040968.db2.gz ZOSSTURVIVHKGO-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035200177 784040974 /nfs/dbraw/zinc/04/09/74/784040974.db2.gz ZOSSTURVIVHKGO-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035200177 784040982 /nfs/dbraw/zinc/04/09/82/784040982.db2.gz ZOSSTURVIVHKGO-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC(=C)Cl)C2)CC1 ZINC001035195155 784086335 /nfs/dbraw/zinc/08/63/35/784086335.db2.gz PDAHYSJSLYHXHK-KRWDZBQOSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC(=C)Cl)C2)CC1 ZINC001035195155 784086344 /nfs/dbraw/zinc/08/63/44/784086344.db2.gz PDAHYSJSLYHXHK-KRWDZBQOSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC(=C)Cl)C2)CC1 ZINC001035195155 784086356 /nfs/dbraw/zinc/08/63/56/784086356.db2.gz PDAHYSJSLYHXHK-KRWDZBQOSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC(=C)Cl)C2)CC1 ZINC001035195155 784086369 /nfs/dbraw/zinc/08/63/69/784086369.db2.gz PDAHYSJSLYHXHK-KRWDZBQOSA-N 2 1 349.906 2.151 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001035614529 784853958 /nfs/dbraw/zinc/85/39/58/784853958.db2.gz PPGRADUPKHNJDW-IBGZPJMESA-N 2 1 345.487 2.145 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1)C1CCC1 ZINC000996664872 787053641 /nfs/dbraw/zinc/05/36/41/787053641.db2.gz KBHWZGLYMLGPFX-UHFFFAOYSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714691 805895307 /nfs/dbraw/zinc/89/53/07/805895307.db2.gz SPTUHGGUELUJKH-OWSLCNJRSA-N 2 1 337.508 2.031 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001091076093 789727889 /nfs/dbraw/zinc/72/78/89/789727889.db2.gz MLVKJRKPZDPORK-ACBHZAAOSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001091076093 789727893 /nfs/dbraw/zinc/72/78/93/789727893.db2.gz MLVKJRKPZDPORK-ACBHZAAOSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997386023 789877702 /nfs/dbraw/zinc/87/77/02/789877702.db2.gz GZZDOGIKUFPWOL-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146334184 791178822 /nfs/dbraw/zinc/17/88/22/791178822.db2.gz VKRMTPJTYBMNIG-GJZGRUSLSA-N 2 1 339.443 2.136 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC000991879990 791228134 /nfs/dbraw/zinc/22/81/34/791228134.db2.gz BEYHRFFCQOPZFF-MJGOQNOKSA-N 2 1 328.460 2.061 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC000991879990 791228143 /nfs/dbraw/zinc/22/81/43/791228143.db2.gz BEYHRFFCQOPZFF-MJGOQNOKSA-N 2 1 328.460 2.061 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593035 791362046 /nfs/dbraw/zinc/36/20/46/791362046.db2.gz MRXXUSFAXAUDNT-CHWSQXEVSA-N 2 1 334.302 2.108 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000998118923 791998349 /nfs/dbraw/zinc/99/83/49/791998349.db2.gz YIAIPPQSJBQNCU-JKSUJKDBSA-N 2 1 328.460 2.166 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC000992143794 792904917 /nfs/dbraw/zinc/90/49/17/792904917.db2.gz CYXFAAPPMLHXFF-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992143794 792904922 /nfs/dbraw/zinc/90/49/22/792904922.db2.gz CYXFAAPPMLHXFF-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992143794 792904927 /nfs/dbraw/zinc/90/49/27/792904927.db2.gz CYXFAAPPMLHXFF-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925250 792998537 /nfs/dbraw/zinc/99/85/37/792998537.db2.gz QDICVXVKLUEYAF-GBESFXJTSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013524 793505978 /nfs/dbraw/zinc/50/59/78/793505978.db2.gz URYKDDSUWDQUJP-MNEFBYGVSA-N 2 1 337.483 2.165 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013524 793505986 /nfs/dbraw/zinc/50/59/86/793505986.db2.gz URYKDDSUWDQUJP-MNEFBYGVSA-N 2 1 337.483 2.165 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013524 793505989 /nfs/dbraw/zinc/50/59/89/793505989.db2.gz URYKDDSUWDQUJP-MNEFBYGVSA-N 2 1 337.483 2.165 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071251 793534214 /nfs/dbraw/zinc/53/42/14/793534214.db2.gz NCPYYZNJYKKGJT-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992311772 793628997 /nfs/dbraw/zinc/62/89/97/793628997.db2.gz BRGNOUGMRVGKRY-QUCCMNQESA-N 2 1 325.456 2.108 20 30 EEEDMP CC#CCN1CC[C@@]2(NC(=O)c3cc(-n4ccnc4)ccn3)CCC[C@@H]12 ZINC000992395133 793941174 /nfs/dbraw/zinc/94/11/74/793941174.db2.gz RUTBHYRYIYMNNF-QUCCMNQESA-N 2 1 349.438 2.017 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCCC)CC3)CC1 ZINC000992506530 794445895 /nfs/dbraw/zinc/44/58/95/794445895.db2.gz JOMNAARVUNIFMQ-AZUAARDMSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCCC)CC3)CC1 ZINC000992506548 794446094 /nfs/dbraw/zinc/44/60/94/794446094.db2.gz JOMNAARVUNIFMQ-QUCCMNQESA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](C/C=C/Cl)CC3)CC1 ZINC000992510255 794455183 /nfs/dbraw/zinc/45/51/83/794455183.db2.gz PFIWIZYAONJPNG-QDVNXWFFSA-N 2 1 349.906 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056910 794564790 /nfs/dbraw/zinc/56/47/90/794564790.db2.gz VEXSVYWNTTYEIW-VQIMIIECSA-N 2 1 327.472 2.069 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036736322 794691933 /nfs/dbraw/zinc/69/19/33/794691933.db2.gz YHTGRCBHBBKLOJ-LSDHHAIUSA-N 2 1 325.884 2.146 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)C)CC1 ZINC001110146893 795374952 /nfs/dbraw/zinc/37/49/52/795374952.db2.gz ADKRNQOGSVNAMC-AABGKKOBSA-N 2 1 345.531 2.489 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001108006824 795484648 /nfs/dbraw/zinc/48/46/48/795484648.db2.gz DROLMNMANGLNON-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108006824 795484654 /nfs/dbraw/zinc/48/46/54/795484654.db2.gz DROLMNMANGLNON-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCCC)C2)CC1 ZINC001036901965 796438788 /nfs/dbraw/zinc/43/87/88/796438788.db2.gz BLXLKPHQYMFQGW-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099265112 796481469 /nfs/dbraw/zinc/48/14/69/796481469.db2.gz BIEJLRSDFIUFOT-RRFJBIMHSA-N 2 1 347.425 2.416 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081134246 796662872 /nfs/dbraw/zinc/66/28/72/796662872.db2.gz QTFLXMDXAQDEDL-OTWHNJEPSA-N 2 1 327.472 2.241 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H]1C ZINC000994141824 797357142 /nfs/dbraw/zinc/35/71/42/797357142.db2.gz ADWHJGYFSJOBDY-LPHOPBHVSA-N 2 1 336.439 2.478 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001108040921 797475802 /nfs/dbraw/zinc/47/58/02/797475802.db2.gz WQZAPVLUZNYBGS-LJQANCHMSA-N 2 1 342.443 2.040 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCC3CCCC3)C2)CC1 ZINC001031436919 798399594 /nfs/dbraw/zinc/39/95/94/798399594.db2.gz REGSRKBREGLUNJ-UHFFFAOYSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001084862917 798510603 /nfs/dbraw/zinc/51/06/03/798510603.db2.gz KMCHIULAMOIZSO-SJLPKXTDSA-N 2 1 343.471 2.291 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001084862917 798510609 /nfs/dbraw/zinc/51/06/09/798510609.db2.gz KMCHIULAMOIZSO-SJLPKXTDSA-N 2 1 343.471 2.291 20 30 EEEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112579540 806678102 /nfs/dbraw/zinc/67/81/02/806678102.db2.gz SMVMZFJEGQMWIL-HKUYNNGSSA-N 2 1 330.476 2.376 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001085152889 798728227 /nfs/dbraw/zinc/72/82/27/798728227.db2.gz VCEFEIFLEHLISS-ZACQAIPSSA-N 2 1 346.500 2.231 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCn2ncc(CNC(=O)CCC[NH+](C)C)c2C1 ZINC001128463297 799689162 /nfs/dbraw/zinc/68/91/62/799689162.db2.gz FKROTBRQADKCGC-MRXNPFEDSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCn2ncc(CNC(=O)CCC[NH+](C)C)c2C1 ZINC001128463297 799689168 /nfs/dbraw/zinc/68/91/68/799689168.db2.gz FKROTBRQADKCGC-MRXNPFEDSA-N 2 1 347.507 2.011 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001180221899 800315276 /nfs/dbraw/zinc/31/52/76/800315276.db2.gz GDTGYBCPXIHXPD-KSSFIOAISA-N 2 1 346.450 2.117 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085717767 801116211 /nfs/dbraw/zinc/11/62/11/801116211.db2.gz WPBYVCGQENRUIZ-KRWDZBQOSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081201 801501120 /nfs/dbraw/zinc/50/11/20/801501120.db2.gz FZXPOPKJQAUTND-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033081201 801501126 /nfs/dbraw/zinc/50/11/26/801501126.db2.gz FZXPOPKJQAUTND-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033081201 801501131 /nfs/dbraw/zinc/50/11/31/801501131.db2.gz FZXPOPKJQAUTND-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892534 802232302 /nfs/dbraw/zinc/23/23/02/802232302.db2.gz QHRVJGBUOJARSC-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cnc(C)n4C3)CC[C@@H]2C1 ZINC000946740035 802967968 /nfs/dbraw/zinc/96/79/68/802967968.db2.gz MTLPJALBTCKVKE-FGTMMUONSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CC[C@@H]2C1 ZINC000946740035 802967972 /nfs/dbraw/zinc/96/79/72/802967972.db2.gz MTLPJALBTCKVKE-FGTMMUONSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CC[C@@H]2C1 ZINC000946740035 802967977 /nfs/dbraw/zinc/96/79/77/802967977.db2.gz MTLPJALBTCKVKE-FGTMMUONSA-N 2 1 342.487 2.110 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797656 804052391 /nfs/dbraw/zinc/05/23/91/804052391.db2.gz IDSJYULDCJAGAG-APWZRJJASA-N 2 1 342.487 2.417 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001108836160 804579331 /nfs/dbraw/zinc/57/93/31/804579331.db2.gz OQFFAVYVMUXOIX-OTWHNJEPSA-N 2 1 327.472 2.274 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001108836160 804579337 /nfs/dbraw/zinc/57/93/37/804579337.db2.gz OQFFAVYVMUXOIX-OTWHNJEPSA-N 2 1 327.472 2.274 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001130423793 811618360 /nfs/dbraw/zinc/61/83/60/811618360.db2.gz WMBPSVPGARPNMB-NVXWUHKLSA-N 2 1 347.507 2.122 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001131666840 813095691 /nfs/dbraw/zinc/09/56/91/813095691.db2.gz SZCXUEUTILUCFP-HKUYNNGSSA-N 2 1 349.519 2.129 20 30 EEEDMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001441015626 1094294158 /nfs/dbraw/zinc/29/41/58/1094294158.db2.gz APTKAUQPPPQXAA-QGZVFWFLSA-N 2 1 342.487 2.371 20 30 EEEDMP COCCC[N@H+](C)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181815532 234333793 /nfs/dbraw/zinc/33/37/93/234333793.db2.gz WTXILVRFYAWBOX-UHFFFAOYSA-N 2 1 344.503 2.081 20 30 EEEDMP COCCC[N@@H+](C)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181815532 234333797 /nfs/dbraw/zinc/33/37/97/234333797.db2.gz WTXILVRFYAWBOX-UHFFFAOYSA-N 2 1 344.503 2.081 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[NH+]1CCCCC1 ZINC000330253005 238188205 /nfs/dbraw/zinc/18/82/05/238188205.db2.gz AISYWMWLNOLUOS-UHFFFAOYSA-N 2 1 330.436 2.013 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000438846237 242054070 /nfs/dbraw/zinc/05/40/70/242054070.db2.gz ADOXPSCRZNGIAA-GOSISDBHSA-N 2 1 336.524 2.447 20 30 EEEDMP C#CC[N@H+](C)CCCN[C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000491630238 246088898 /nfs/dbraw/zinc/08/88/98/246088898.db2.gz PAGIBMDFCRDXPF-HNNXBMFYSA-N 2 1 346.475 2.456 20 30 EEEDMP C#CCN(C)CCC[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000491630238 246088906 /nfs/dbraw/zinc/08/89/06/246088906.db2.gz PAGIBMDFCRDXPF-HNNXBMFYSA-N 2 1 346.475 2.456 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCSCc1ccccc1C#N ZINC000170908147 266147957 /nfs/dbraw/zinc/14/79/57/266147957.db2.gz DYFXMNGKIZNOLT-KRWDZBQOSA-N 2 1 345.516 2.180 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942260605 782084511 /nfs/dbraw/zinc/08/45/11/782084511.db2.gz ZARAYTYBOXIFOS-DZGCQCFKSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942260605 782084520 /nfs/dbraw/zinc/08/45/20/782084520.db2.gz ZARAYTYBOXIFOS-DZGCQCFKSA-N 2 1 325.884 2.194 20 30 EEEDMP [NH2+]=C(NCc1ccccc1C[NH+]1CCOCC1)NC1CCCCC1 ZINC000071847215 463440031 /nfs/dbraw/zinc/44/00/31/463440031.db2.gz OMAWSKYRHHKUIK-UHFFFAOYSA-N 2 1 330.476 2.256 20 30 EEEDMP C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702737 463864697 /nfs/dbraw/zinc/86/46/97/463864697.db2.gz XMQODSDQXXXOBK-KHYOSLBOSA-N 2 1 332.492 2.037 20 30 EEEDMP C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702737 463864702 /nfs/dbraw/zinc/86/47/02/463864702.db2.gz XMQODSDQXXXOBK-KHYOSLBOSA-N 2 1 332.492 2.037 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)N1CCCCC1 ZINC000264079269 464281475 /nfs/dbraw/zinc/28/14/75/464281475.db2.gz ICUZPZJDXXEOSX-SJORKVTESA-N 2 1 347.507 2.195 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000182721601 464717187 /nfs/dbraw/zinc/71/71/87/464717187.db2.gz LQUOEZVJHRJYGJ-FUHWJXTLSA-N 2 1 334.508 2.153 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000375901316 466881932 /nfs/dbraw/zinc/88/19/32/466881932.db2.gz BDRZAVJMLIXELX-SFHVURJKSA-N 2 1 330.451 2.298 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000375901316 466881937 /nfs/dbraw/zinc/88/19/37/466881937.db2.gz BDRZAVJMLIXELX-SFHVURJKSA-N 2 1 330.451 2.298 20 30 EEEDMP C=C[C@@H]1OCCC[C@H]1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000515074419 467973110 /nfs/dbraw/zinc/97/31/10/467973110.db2.gz XZZXUMHBQZUCLS-MOPGFXCFSA-N 2 1 349.519 2.033 20 30 EEEDMP CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc1)C1CC1 ZINC000569852204 468553340 /nfs/dbraw/zinc/55/33/40/468553340.db2.gz MNSSEIUMUIEEFM-IBGZPJMESA-N 2 1 328.460 2.245 20 30 EEEDMP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)c1 ZINC000594446636 468592279 /nfs/dbraw/zinc/59/22/79/468592279.db2.gz VMCYQUHPWZSXKZ-SFHVURJKSA-N 2 1 328.460 2.051 20 30 EEEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000583867104 468767366 /nfs/dbraw/zinc/76/73/66/468767366.db2.gz RWXAWNGAEJGYRF-FXAWDEMLSA-N 2 1 344.503 2.008 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000571342253 468774710 /nfs/dbraw/zinc/77/47/10/468774710.db2.gz YQKFGFXQHFCFQB-SFHVURJKSA-N 2 1 327.472 2.275 20 30 EEEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000614403311 469931965 /nfs/dbraw/zinc/93/19/65/469931965.db2.gz QZSWNLFAYCWYIS-XLIONFOSSA-N 2 1 326.488 2.325 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000106339378 526591388 /nfs/dbraw/zinc/59/13/88/526591388.db2.gz HNWLEORJQIZSPU-QGZVFWFLSA-N 2 1 336.524 2.447 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000104180773 528660156 /nfs/dbraw/zinc/66/01/56/528660156.db2.gz VTNQUGMZCBLJLT-OAHLLOKOSA-N 2 1 338.521 2.291 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCC2CC2)CC1 ZINC000969156124 674643762 /nfs/dbraw/zinc/64/37/62/674643762.db2.gz KJWWLFOODXIVEO-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039179506 675917853 /nfs/dbraw/zinc/91/78/53/675917853.db2.gz BELFORNFNPZGNR-SFHVURJKSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(C)CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000949398664 676210624 /nfs/dbraw/zinc/21/06/24/676210624.db2.gz OOQADUFXYOOYMA-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000949398664 676210625 /nfs/dbraw/zinc/21/06/25/676210625.db2.gz OOQADUFXYOOYMA-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000949398664 676210628 /nfs/dbraw/zinc/21/06/28/676210628.db2.gz OOQADUFXYOOYMA-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021636397 676291361 /nfs/dbraw/zinc/29/13/61/676291361.db2.gz QFAVFGYTSIGQMN-VQIMIIECSA-N 2 1 336.439 2.284 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681055 676336075 /nfs/dbraw/zinc/33/60/75/676336075.db2.gz DOAAPKNHVIKZBS-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681055 676336078 /nfs/dbraw/zinc/33/60/78/676336078.db2.gz DOAAPKNHVIKZBS-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001022068976 676633322 /nfs/dbraw/zinc/63/33/22/676633322.db2.gz FGONMBREJIEFSE-JKIFEVAISA-N 2 1 346.500 2.229 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)C1 ZINC000889021912 678817931 /nfs/dbraw/zinc/81/79/31/678817931.db2.gz RPSSNEVNNRISLK-IXDOHACOSA-N 2 1 346.475 2.106 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)C1 ZINC000889021912 678817935 /nfs/dbraw/zinc/81/79/35/678817935.db2.gz RPSSNEVNNRISLK-IXDOHACOSA-N 2 1 346.475 2.106 20 30 EEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001024547061 680077048 /nfs/dbraw/zinc/07/70/48/680077048.db2.gz IHLOIVCQEQQELH-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCCC2(C1)CCCCCC2 ZINC000261779142 681187710 /nfs/dbraw/zinc/18/77/10/681187710.db2.gz PAFVKVASJRRYGR-GOSISDBHSA-N 2 1 349.567 2.244 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597137 683079787 /nfs/dbraw/zinc/07/97/87/683079787.db2.gz NKYAMXPYOHNRKO-HOTGVXAUSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597137 683079792 /nfs/dbraw/zinc/07/97/92/683079792.db2.gz NKYAMXPYOHNRKO-HOTGVXAUSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001025629248 683160398 /nfs/dbraw/zinc/16/03/98/683160398.db2.gz DWCIDAZACWXREY-HKUYNNGSSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC000992819462 683530795 /nfs/dbraw/zinc/53/07/95/683530795.db2.gz FBAIIDHDIVAWLA-BRWVUGGUSA-N 2 1 330.476 2.409 20 30 EEEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262274537 685025972 /nfs/dbraw/zinc/02/59/72/685025972.db2.gz UKVLYRYGVFZGFG-IPMKNSEASA-N 2 1 349.567 2.148 20 30 EEEDMP CC[N@@H+](CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000303970801 686961075 /nfs/dbraw/zinc/96/10/75/686961075.db2.gz CXWOMHVGRJFUSV-UHFFFAOYSA-N 2 1 349.910 2.261 20 30 EEEDMP CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000985494834 687044302 /nfs/dbraw/zinc/04/43/02/687044302.db2.gz HQYBFBGKUNWQJN-LJQANCHMSA-N 2 1 342.487 2.321 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027333503 687519710 /nfs/dbraw/zinc/51/97/10/687519710.db2.gz WXXIRBYFKBPYNC-YOEHRIQHSA-N 2 1 346.500 2.137 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387896 694363626 /nfs/dbraw/zinc/36/36/26/694363626.db2.gz GGAONEQDLCKVFI-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387896 694363629 /nfs/dbraw/zinc/36/36/29/694363629.db2.gz GGAONEQDLCKVFI-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387896 694363634 /nfs/dbraw/zinc/36/36/34/694363634.db2.gz GGAONEQDLCKVFI-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001030019186 691099297 /nfs/dbraw/zinc/09/92/97/691099297.db2.gz GROCMBBYCHKNCS-HOJAQTOUSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001030019186 691099299 /nfs/dbraw/zinc/09/92/99/691099299.db2.gz GROCMBBYCHKNCS-HOJAQTOUSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCCC3CCC3)CC2)CC1 ZINC000989734938 692230892 /nfs/dbraw/zinc/23/08/92/692230892.db2.gz LDKNJZOTHUGYCJ-UHFFFAOYSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001027631505 693665083 /nfs/dbraw/zinc/66/50/83/693665083.db2.gz UVQWUKMPFGOJGW-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001027631505 693665086 /nfs/dbraw/zinc/66/50/86/693665086.db2.gz UVQWUKMPFGOJGW-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947909232 1192501004 /nfs/dbraw/zinc/50/10/04/1192501004.db2.gz YGSUHHNTHCEBGA-VQIMIIECSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880100 1192633329 /nfs/dbraw/zinc/63/33/29/1192633329.db2.gz HXUWSYJICGMCOZ-RDGPPVDQSA-N 2 1 331.504 2.073 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001105446414 1187198056 /nfs/dbraw/zinc/19/80/56/1187198056.db2.gz LCCOUFRFFNANTE-PUZFROQSSA-N 2 1 338.455 2.184 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088620603 1187961017 /nfs/dbraw/zinc/96/10/17/1187961017.db2.gz SMZLPDPKOSBDDC-NEWSRXKRSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C ZINC001088620603 1187961019 /nfs/dbraw/zinc/96/10/19/1187961019.db2.gz SMZLPDPKOSBDDC-NEWSRXKRSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H]1C ZINC001088620603 1187961021 /nfs/dbraw/zinc/96/10/21/1187961021.db2.gz SMZLPDPKOSBDDC-NEWSRXKRSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105561709 1188178096 /nfs/dbraw/zinc/17/80/96/1188178096.db2.gz PRIYBRVJMUAHOP-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105578711 1188194163 /nfs/dbraw/zinc/19/41/63/1188194163.db2.gz FGQMSRWDFRUJBG-SFHVURJKSA-N 2 1 333.520 2.491 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@H]1C ZINC001486092871 1193679206 /nfs/dbraw/zinc/67/92/06/1193679206.db2.gz RVNVKWAVMYMZCD-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)CC1 ZINC001273101236 1194385238 /nfs/dbraw/zinc/38/52/38/1194385238.db2.gz QHRZDHWSHQTKSX-IBGZPJMESA-N 2 1 332.492 2.089 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001034005373 1195648611 /nfs/dbraw/zinc/64/86/11/1195648611.db2.gz WEGSKHFCXMFDLY-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034005373 1195648614 /nfs/dbraw/zinc/64/86/14/1195648614.db2.gz WEGSKHFCXMFDLY-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034005373 1195648618 /nfs/dbraw/zinc/64/86/18/1195648618.db2.gz WEGSKHFCXMFDLY-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC001034138109 1195810283 /nfs/dbraw/zinc/81/02/83/1195810283.db2.gz NSXFTRPLUXOMAT-PBHICJAKSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365681 1199617401 /nfs/dbraw/zinc/61/74/01/1199617401.db2.gz OAYOQJDSHASCMJ-WMZOPIPTSA-N 2 1 348.491 2.143 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365681 1199617403 /nfs/dbraw/zinc/61/74/03/1199617403.db2.gz OAYOQJDSHASCMJ-WMZOPIPTSA-N 2 1 348.491 2.143 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001132736898 1199964312 /nfs/dbraw/zinc/96/43/12/1199964312.db2.gz FNAZWALWWJRPOU-KRWDZBQOSA-N 2 1 346.450 2.025 20 30 EEEDMP C#CC[N@H+](C)CCCNCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000883131194 1202017944 /nfs/dbraw/zinc/01/79/44/1202017944.db2.gz NIWLJNBBIVOIDA-UHFFFAOYSA-N 2 1 332.448 2.473 20 30 EEEDMP C#CC[N@@H+](C)CCCNCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000883131194 1202017947 /nfs/dbraw/zinc/01/79/47/1202017947.db2.gz NIWLJNBBIVOIDA-UHFFFAOYSA-N 2 1 332.448 2.473 20 30 EEEDMP COc1ccc([C@@H](CNC(=[NH2+])N2CCSCC2)[NH+]2CCCC2)cc1 ZINC000104154174 1204610645 /nfs/dbraw/zinc/61/06/45/1204610645.db2.gz ILGVREHZERDZHI-QGZVFWFLSA-N 2 1 348.516 2.196 20 30 EEEDMP C=CCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12 ZINC001274964694 1205219179 /nfs/dbraw/zinc/21/91/79/1205219179.db2.gz VENHCNDXIFRPJX-ROUUACIJSA-N 2 1 331.504 2.408 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001275004405 1205230242 /nfs/dbraw/zinc/23/02/42/1205230242.db2.gz ZSZQJHJBCMZYGH-YJBOKZPZSA-N 2 1 345.491 2.337 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001275004405 1205230246 /nfs/dbraw/zinc/23/02/46/1205230246.db2.gz ZSZQJHJBCMZYGH-YJBOKZPZSA-N 2 1 345.491 2.337 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ncc[nH]2)CC3)cc1C#N ZINC001275847298 1205564491 /nfs/dbraw/zinc/56/44/91/1205564491.db2.gz QHSVTRRLTZZPAF-UHFFFAOYSA-N 2 1 338.459 2.108 20 30 EEEDMP C#CCN1CC[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)C1=O ZINC001276160819 1205805925 /nfs/dbraw/zinc/80/59/25/1205805925.db2.gz QZWZLAUIAZPWMH-NRFANRHFSA-N 2 1 348.450 2.238 20 30 EEEDMP C#CCN1CC[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)C1=O ZINC001276160819 1205805926 /nfs/dbraw/zinc/80/59/26/1205805926.db2.gz QZWZLAUIAZPWMH-NRFANRHFSA-N 2 1 348.450 2.238 20 30 EEEDMP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948986123 1209490344 /nfs/dbraw/zinc/49/03/44/1209490344.db2.gz IOSQJUHCNSHNEQ-PKOBYXMFSA-N 2 1 327.472 2.230 20 30 EEEDMP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948986123 1209490346 /nfs/dbraw/zinc/49/03/46/1209490346.db2.gz IOSQJUHCNSHNEQ-PKOBYXMFSA-N 2 1 327.472 2.230 20 30 EEEDMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948986123 1209490348 /nfs/dbraw/zinc/49/03/48/1209490348.db2.gz IOSQJUHCNSHNEQ-PKOBYXMFSA-N 2 1 327.472 2.230 20 30 EEEDMP C=C(C)CC[NH+]1CCOC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000949386235 1209660959 /nfs/dbraw/zinc/66/09/59/1209660959.db2.gz YYYGXFHBTZXBIH-UHFFFAOYSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000949386235 1209660960 /nfs/dbraw/zinc/66/09/60/1209660960.db2.gz YYYGXFHBTZXBIH-UHFFFAOYSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000949386235 1209660961 /nfs/dbraw/zinc/66/09/61/1209660961.db2.gz YYYGXFHBTZXBIH-UHFFFAOYSA-N 2 1 349.519 2.130 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000303780854 1213905123 /nfs/dbraw/zinc/90/51/23/1213905123.db2.gz LTBHBBRVABHYDT-KRWDZBQOSA-N 2 1 348.491 2.163 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncc(-c2ccccc2)o1 ZINC000303895127 1213922783 /nfs/dbraw/zinc/92/27/83/1213922783.db2.gz SZFXDRWVUHVBKO-HNNXBMFYSA-N 2 1 327.432 2.230 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957636102 1215281421 /nfs/dbraw/zinc/28/14/21/1215281421.db2.gz YFQXOZUSROSRAI-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961338724 1217148944 /nfs/dbraw/zinc/14/89/44/1217148944.db2.gz GXLVZJVYKCMXST-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961338724 1217148946 /nfs/dbraw/zinc/14/89/46/1217148946.db2.gz GXLVZJVYKCMXST-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961338724 1217148947 /nfs/dbraw/zinc/14/89/47/1217148947.db2.gz GXLVZJVYKCMXST-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC=C)C2)CC1 ZINC000961373597 1217163031 /nfs/dbraw/zinc/16/30/31/1217163031.db2.gz IBBMWKLVWNWXOZ-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC=C)C2)CC1 ZINC000961373597 1217163032 /nfs/dbraw/zinc/16/30/32/1217163032.db2.gz IBBMWKLVWNWXOZ-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CC=C)C2)CC1 ZINC000961373597 1217163034 /nfs/dbraw/zinc/16/30/34/1217163034.db2.gz IBBMWKLVWNWXOZ-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CC=C)C2)CC1 ZINC000961373597 1217163035 /nfs/dbraw/zinc/16/30/35/1217163035.db2.gz IBBMWKLVWNWXOZ-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961438437 1217189885 /nfs/dbraw/zinc/18/98/85/1217189885.db2.gz DFWBTZILABMIKR-LJQANCHMSA-N 2 1 331.504 2.056 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000961993067 1217440995 /nfs/dbraw/zinc/44/09/95/1217440995.db2.gz PKXSBNJUZOPDRJ-ACBHZAAOSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)CC1 ZINC000963338327 1217533587 /nfs/dbraw/zinc/53/35/87/1217533587.db2.gz VBADGBSJPSCCFS-JMLCCBQJSA-N 2 1 345.491 2.335 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000963338327 1217533593 /nfs/dbraw/zinc/53/35/93/1217533593.db2.gz VBADGBSJPSCCFS-JMLCCBQJSA-N 2 1 345.491 2.335 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000963338327 1217533599 /nfs/dbraw/zinc/53/35/99/1217533599.db2.gz VBADGBSJPSCCFS-JMLCCBQJSA-N 2 1 345.491 2.335 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963356211 1217550813 /nfs/dbraw/zinc/55/08/13/1217550813.db2.gz CDDVEHMHRSCMRL-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963356211 1217550816 /nfs/dbraw/zinc/55/08/16/1217550816.db2.gz CDDVEHMHRSCMRL-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963356211 1217550819 /nfs/dbraw/zinc/55/08/19/1217550819.db2.gz CDDVEHMHRSCMRL-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000963420660 1217616785 /nfs/dbraw/zinc/61/67/85/1217616785.db2.gz LGFCEHHPWALZQR-FAFZWHIHSA-N 2 1 331.504 2.386 20 30 EEEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1CC ZINC001037922576 1220346413 /nfs/dbraw/zinc/34/64/13/1220346413.db2.gz BNYKLXROLAYRPR-WBVHZDCISA-N 2 1 346.475 2.287 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327840 1221212115 /nfs/dbraw/zinc/21/21/15/1221212115.db2.gz TUNCRHOKCMDHTB-LPHOPBHVSA-N 2 1 329.488 2.417 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016669921 1226756566 /nfs/dbraw/zinc/75/65/66/1226756566.db2.gz MYDXKXLKBUFAMC-OALUTQOASA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016669921 1226756574 /nfs/dbraw/zinc/75/65/74/1226756574.db2.gz MYDXKXLKBUFAMC-OALUTQOASA-N 2 1 343.515 2.245 20 30 EEEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014630109 1226859429 /nfs/dbraw/zinc/85/94/29/1226859429.db2.gz MNLNZCAGLXCZJE-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014630109 1226859432 /nfs/dbraw/zinc/85/94/32/1226859432.db2.gz MNLNZCAGLXCZJE-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001014630109 1226859437 /nfs/dbraw/zinc/85/94/37/1226859437.db2.gz MNLNZCAGLXCZJE-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001014630109 1226859441 /nfs/dbraw/zinc/85/94/41/1226859441.db2.gz MNLNZCAGLXCZJE-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001018966688 1228584602 /nfs/dbraw/zinc/58/46/02/1228584602.db2.gz PVSZKFHYOWNITP-ZWKOTPCHSA-N 2 1 349.438 2.023 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039183358 1230411269 /nfs/dbraw/zinc/41/12/69/1230411269.db2.gz ZWARRJAUWQJTDM-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC=C(C)C)C2 ZINC001040245088 1231129653 /nfs/dbraw/zinc/12/96/53/1231129653.db2.gz RHROVQTVVFJKLD-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC001040245088 1231129656 /nfs/dbraw/zinc/12/96/56/1231129656.db2.gz RHROVQTVVFJKLD-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040245088 1231129658 /nfs/dbraw/zinc/12/96/58/1231129658.db2.gz RHROVQTVVFJKLD-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040245088 1231129659 /nfs/dbraw/zinc/12/96/59/1231129659.db2.gz RHROVQTVVFJKLD-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001040277149 1231148313 /nfs/dbraw/zinc/14/83/13/1231148313.db2.gz WLBNCJXXNDPJSJ-LJQANCHMSA-N 2 1 346.475 2.240 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001040277149 1231148315 /nfs/dbraw/zinc/14/83/15/1231148315.db2.gz WLBNCJXXNDPJSJ-LJQANCHMSA-N 2 1 346.475 2.240 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040530488 1231278177 /nfs/dbraw/zinc/27/81/77/1231278177.db2.gz AKJUNRHGORSYRT-QGZVFWFLSA-N 2 1 325.884 2.149 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040530488 1231278178 /nfs/dbraw/zinc/27/81/78/1231278178.db2.gz AKJUNRHGORSYRT-QGZVFWFLSA-N 2 1 325.884 2.149 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCCC)C3)CC1 ZINC001040542051 1231283275 /nfs/dbraw/zinc/28/32/75/1231283275.db2.gz FLDOXDXHESQJDW-OAQYLSRUSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C/C=C/Cl)CC2 ZINC001040731534 1231351211 /nfs/dbraw/zinc/35/12/11/1231351211.db2.gz MPDWZUZJHYEDCU-QVNOTHCHSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C/C=C/Cl)CC2 ZINC001040731534 1231351213 /nfs/dbraw/zinc/35/12/13/1231351213.db2.gz MPDWZUZJHYEDCU-QVNOTHCHSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001040882218 1231395037 /nfs/dbraw/zinc/39/50/37/1231395037.db2.gz AWSJADISDZFFDR-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041354046 1231517072 /nfs/dbraw/zinc/51/70/72/1231517072.db2.gz LODWKDPIZMSAPT-INIZCTEOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041354046 1231517073 /nfs/dbraw/zinc/51/70/73/1231517073.db2.gz LODWKDPIZMSAPT-INIZCTEOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041396353 1231530674 /nfs/dbraw/zinc/53/06/74/1231530674.db2.gz SCARHDZLMUAAQT-IBGZPJMESA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778999 1231690617 /nfs/dbraw/zinc/69/06/17/1231690617.db2.gz JRPIARZTNIQNQS-SFTDATJTSA-N 2 1 339.483 2.021 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845860 1231728629 /nfs/dbraw/zinc/72/86/29/1231728629.db2.gz PVIPZFDHGCUJEL-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045986676 1234282686 /nfs/dbraw/zinc/28/26/86/1234282686.db2.gz XZKQNZOSVNWMRT-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986676 1234282689 /nfs/dbraw/zinc/28/26/89/1234282689.db2.gz XZKQNZOSVNWMRT-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986676 1234282691 /nfs/dbraw/zinc/28/26/91/1234282691.db2.gz XZKQNZOSVNWMRT-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046925941 1235314376 /nfs/dbraw/zinc/31/43/76/1235314376.db2.gz PPPZLDWGJDDYRW-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046925941 1235314380 /nfs/dbraw/zinc/31/43/80/1235314380.db2.gz PPPZLDWGJDDYRW-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046925941 1235314383 /nfs/dbraw/zinc/31/43/83/1235314383.db2.gz PPPZLDWGJDDYRW-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CCF)CC2)C1 ZINC001047245093 1235737469 /nfs/dbraw/zinc/73/74/69/1235737469.db2.gz WSPOAYVYAPBSLH-MOPGFXCFSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525562 1237862726 /nfs/dbraw/zinc/86/27/26/1237862726.db2.gz XWFFQNXOIVJVIM-LTFPLMDUSA-N 2 1 343.515 2.243 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)C2 ZINC001048525562 1237862738 /nfs/dbraw/zinc/86/27/38/1237862738.db2.gz XWFFQNXOIVJVIM-LTFPLMDUSA-N 2 1 343.515 2.243 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)C2 ZINC001048525562 1237862753 /nfs/dbraw/zinc/86/27/53/1237862753.db2.gz XWFFQNXOIVJVIM-LTFPLMDUSA-N 2 1 343.515 2.243 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860133 1239059597 /nfs/dbraw/zinc/05/95/97/1239059597.db2.gz IGHLXTIDXNLUBQ-YESZJQIVSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860133 1239059607 /nfs/dbraw/zinc/05/96/07/1239059607.db2.gz IGHLXTIDXNLUBQ-YESZJQIVSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860133 1239059615 /nfs/dbraw/zinc/05/96/15/1239059615.db2.gz IGHLXTIDXNLUBQ-YESZJQIVSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048871085 1239100103 /nfs/dbraw/zinc/10/01/03/1239100103.db2.gz HLQPVGXCWJTYMK-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871085 1239100109 /nfs/dbraw/zinc/10/01/09/1239100109.db2.gz HLQPVGXCWJTYMK-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871085 1239100114 /nfs/dbraw/zinc/10/01/14/1239100114.db2.gz HLQPVGXCWJTYMK-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC001000185254 1240039844 /nfs/dbraw/zinc/03/98/44/1240039844.db2.gz NSYCBHFNIDOAMO-MOPGFXCFSA-N 2 1 343.515 2.387 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001000186728 1240041651 /nfs/dbraw/zinc/04/16/51/1240041651.db2.gz VWNDIWFVZAXECS-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000777805 1240921572 /nfs/dbraw/zinc/92/15/72/1240921572.db2.gz QJVIHEGYDBFRKC-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001000777805 1240921580 /nfs/dbraw/zinc/92/15/80/1240921580.db2.gz QJVIHEGYDBFRKC-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001000777805 1240921591 /nfs/dbraw/zinc/92/15/91/1240921591.db2.gz QJVIHEGYDBFRKC-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049523783 1241241359 /nfs/dbraw/zinc/24/13/59/1241241359.db2.gz HDZOZXDFRPPVRW-GBESFXJTSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049523783 1241241365 /nfs/dbraw/zinc/24/13/65/1241241365.db2.gz HDZOZXDFRPPVRW-GBESFXJTSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049523783 1241241369 /nfs/dbraw/zinc/24/13/69/1241241369.db2.gz HDZOZXDFRPPVRW-GBESFXJTSA-N 2 1 331.504 2.338 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(CN(C)C)on1 ZINC001049563831 1241432834 /nfs/dbraw/zinc/43/28/34/1241432834.db2.gz HLNPIVDTORUNJK-MSOLQXFVSA-N 2 1 346.475 2.381 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049563831 1241432839 /nfs/dbraw/zinc/43/28/39/1241432839.db2.gz HLNPIVDTORUNJK-MSOLQXFVSA-N 2 1 346.475 2.381 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049563831 1241432849 /nfs/dbraw/zinc/43/28/49/1241432849.db2.gz HLNPIVDTORUNJK-MSOLQXFVSA-N 2 1 346.475 2.381 20 30 EEEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001001075433 1241589153 /nfs/dbraw/zinc/58/91/53/1241589153.db2.gz ILFZBXDBLWEBOC-LJQANCHMSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001001075433 1241589169 /nfs/dbraw/zinc/58/91/69/1241589169.db2.gz ILFZBXDBLWEBOC-LJQANCHMSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001001075433 1241589183 /nfs/dbraw/zinc/58/91/83/1241589183.db2.gz ILFZBXDBLWEBOC-LJQANCHMSA-N 2 1 329.488 2.165 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049599990 1241598833 /nfs/dbraw/zinc/59/88/33/1241598833.db2.gz XDEPUORMPCDVCX-QZTJIDSGSA-N 2 1 328.460 2.013 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049599990 1241598837 /nfs/dbraw/zinc/59/88/37/1241598837.db2.gz XDEPUORMPCDVCX-QZTJIDSGSA-N 2 1 328.460 2.013 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001073899268 1242762599 /nfs/dbraw/zinc/76/25/99/1242762599.db2.gz PDSISCOGJSEIRQ-GOSISDBHSA-N 2 1 345.487 2.145 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050542256 1243813822 /nfs/dbraw/zinc/81/38/22/1243813822.db2.gz BGJDAIHOIVMIKX-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001052937642 1245515420 /nfs/dbraw/zinc/51/54/20/1245515420.db2.gz MQWPOIOLYNCUFP-HXUWFJFHSA-N 2 1 339.483 2.105 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396844 1245761791 /nfs/dbraw/zinc/76/17/91/1245761791.db2.gz NQQXKZMNHISTAK-GGPKGHCWSA-N 2 1 333.520 2.156 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCCC=C)C[C@@]3(C)C2)CC1 ZINC001101474055 1245879277 /nfs/dbraw/zinc/87/92/77/1245879277.db2.gz FJAMCLAGNTWXAD-CTNGQTDRSA-N 2 1 343.515 2.078 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095195 1245891552 /nfs/dbraw/zinc/89/15/52/1245891552.db2.gz IHDCOURIWPIHRN-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)CO2 ZINC001053902658 1246989768 /nfs/dbraw/zinc/98/97/68/1246989768.db2.gz GXHHVXZDEHJRKG-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)CO2 ZINC001053902658 1246989774 /nfs/dbraw/zinc/98/97/74/1246989774.db2.gz GXHHVXZDEHJRKG-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072826271 1255415314 /nfs/dbraw/zinc/41/53/14/1255415314.db2.gz OSFMKMWYCQBZPT-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072826271 1255415318 /nfs/dbraw/zinc/41/53/18/1255415318.db2.gz OSFMKMWYCQBZPT-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001072826271 1255415325 /nfs/dbraw/zinc/41/53/25/1255415325.db2.gz OSFMKMWYCQBZPT-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001072826271 1255415332 /nfs/dbraw/zinc/41/53/32/1255415332.db2.gz OSFMKMWYCQBZPT-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001111466540 1257982729 /nfs/dbraw/zinc/98/27/29/1257982729.db2.gz ZDZAVJPHFNZIGH-YRXWBPOGSA-N 2 1 325.456 2.034 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001111466540 1257982735 /nfs/dbraw/zinc/98/27/35/1257982735.db2.gz ZDZAVJPHFNZIGH-YRXWBPOGSA-N 2 1 325.456 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC2(CCOCC2)C1 ZINC001099583554 1258226797 /nfs/dbraw/zinc/22/67/97/1258226797.db2.gz UYKVRDFDONKGEQ-QGZVFWFLSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205279 1279798069 /nfs/dbraw/zinc/79/80/69/1279798069.db2.gz JFQWMIOYCOBMSK-GVDBMIGSSA-N 2 1 328.460 2.259 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205279 1279798077 /nfs/dbraw/zinc/79/80/77/1279798077.db2.gz JFQWMIOYCOBMSK-GVDBMIGSSA-N 2 1 328.460 2.259 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC/C=C/CCC)C1 ZINC001190721924 1281033561 /nfs/dbraw/zinc/03/35/61/1281033561.db2.gz CHDLQCORCZPLPO-ZSQQTYLHSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CCC)C1 ZINC001190721924 1281033572 /nfs/dbraw/zinc/03/35/72/1281033572.db2.gz CHDLQCORCZPLPO-ZSQQTYLHSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC/C=C/CCC)C1 ZINC001190721924 1281033578 /nfs/dbraw/zinc/03/35/78/1281033578.db2.gz CHDLQCORCZPLPO-ZSQQTYLHSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC/C=C/CCC)C1 ZINC001190721924 1281033589 /nfs/dbraw/zinc/03/35/89/1281033589.db2.gz CHDLQCORCZPLPO-ZSQQTYLHSA-N 2 1 331.504 2.363 20 30 EEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001192366658 1281950323 /nfs/dbraw/zinc/95/03/23/1281950323.db2.gz BCGZZIQSKSERDH-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001192366658 1281950327 /nfs/dbraw/zinc/95/03/27/1281950327.db2.gz BCGZZIQSKSERDH-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001192366658 1281950330 /nfs/dbraw/zinc/95/03/30/1281950330.db2.gz BCGZZIQSKSERDH-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193400622 1282484819 /nfs/dbraw/zinc/48/48/19/1282484819.db2.gz ZQOYLFTYQBYZNQ-QUCCMNQESA-N 2 1 327.472 2.019 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001196191992 1283926588 /nfs/dbraw/zinc/92/65/88/1283926588.db2.gz STPTUOONUIIILE-MOPGFXCFSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001196191992 1283926592 /nfs/dbraw/zinc/92/65/92/1283926592.db2.gz STPTUOONUIIILE-MOPGFXCFSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001196191992 1283926596 /nfs/dbraw/zinc/92/65/96/1283926596.db2.gz STPTUOONUIIILE-MOPGFXCFSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001196191992 1283926598 /nfs/dbraw/zinc/92/65/98/1283926598.db2.gz STPTUOONUIIILE-MOPGFXCFSA-N 2 1 333.520 2.301 20 30 EEEDMP C=CCC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1OC ZINC001198983873 1285460278 /nfs/dbraw/zinc/46/02/78/1285460278.db2.gz IZSROPPEHCZSAB-QGZVFWFLSA-N 2 1 342.443 2.223 20 30 EEEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198985543 1285473728 /nfs/dbraw/zinc/47/37/28/1285473728.db2.gz ZPZYPWAURCQHHP-FUHWJXTLSA-N 2 1 345.487 2.360 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201558385 1289665600 /nfs/dbraw/zinc/66/56/00/1289665600.db2.gz OCGRUDQEADQUTN-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCCO1 ZINC001201849642 1289786774 /nfs/dbraw/zinc/78/67/74/1289786774.db2.gz XPAGRZQVAPTTAG-RTBURBONSA-N 2 1 345.487 2.073 20 30 EEEDMP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214846 1294351357 /nfs/dbraw/zinc/35/13/57/1294351357.db2.gz UNUSHCJMKDVGBC-LJQANCHMSA-N 2 1 330.476 2.234 20 30 EEEDMP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214846 1294351365 /nfs/dbraw/zinc/35/13/65/1294351365.db2.gz UNUSHCJMKDVGBC-LJQANCHMSA-N 2 1 330.476 2.234 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211177072 1295729418 /nfs/dbraw/zinc/72/94/18/1295729418.db2.gz SPVNEUKKVUGURD-ZWKOTPCHSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211177072 1295729425 /nfs/dbraw/zinc/72/94/25/1295729425.db2.gz SPVNEUKKVUGURD-ZWKOTPCHSA-N 2 1 339.524 2.258 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213592984 1296102702 /nfs/dbraw/zinc/10/27/02/1296102702.db2.gz IOMBLBMILRAIIC-KURKYZTESA-N 2 1 339.524 2.134 20 30 EEEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000402260588 1296931470 /nfs/dbraw/zinc/93/14/70/1296931470.db2.gz QFPNWRSCOIVMIF-IBGZPJMESA-N 2 1 339.439 2.149 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220868914 1298566421 /nfs/dbraw/zinc/56/64/21/1298566421.db2.gz ZHFOXMNPLJNBCQ-XOUIXPDISA-N 2 1 331.504 2.297 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC001220984986 1298608508 /nfs/dbraw/zinc/60/85/08/1298608508.db2.gz UFHCGVUQHOWQMJ-RTBURBONSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC001220984986 1298608523 /nfs/dbraw/zinc/60/85/23/1298608523.db2.gz UFHCGVUQHOWQMJ-RTBURBONSA-N 2 1 348.535 2.284 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221951957 1299222349 /nfs/dbraw/zinc/22/23/49/1299222349.db2.gz KIGRHSVNJXDLCW-CRAIPNDOSA-N 2 1 328.460 2.260 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221951957 1299222358 /nfs/dbraw/zinc/22/23/58/1299222358.db2.gz KIGRHSVNJXDLCW-CRAIPNDOSA-N 2 1 328.460 2.260 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC/C=C/CC)C[C@H]32)CC1 ZINC001222043888 1299300379 /nfs/dbraw/zinc/30/03/79/1299300379.db2.gz HAKVDSRWXWVPLP-BGEOSOQGSA-N 2 1 343.515 2.221 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3ccnc3)C[C@@H]21 ZINC001222936759 1299926161 /nfs/dbraw/zinc/92/61/61/1299926161.db2.gz OSTQZMJGYXDJDX-QRVBRYPASA-N 2 1 342.487 2.416 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](C)C ZINC001102088040 1300275647 /nfs/dbraw/zinc/27/56/47/1300275647.db2.gz ITMNZXTUKCNNBX-ATZDWAIDSA-N 2 1 342.487 2.083 20 30 EEEDMP C[NH+](C)CCCC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001228889080 1302505653 /nfs/dbraw/zinc/50/56/53/1302505653.db2.gz RKZGTROOXYIDDS-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141317 1302640202 /nfs/dbraw/zinc/64/02/02/1302640202.db2.gz BDAXNKOMSQBIAU-KZNAEPCWSA-N 2 1 337.508 2.080 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374576 1302858022 /nfs/dbraw/zinc/85/80/22/1302858022.db2.gz JDKMBTQXIFQTAV-UKRRQHHQSA-N 2 1 327.900 2.155 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103397074 1302905635 /nfs/dbraw/zinc/90/56/35/1302905635.db2.gz YENZCXKVZIISFU-SJLPKXTDSA-N 2 1 342.487 2.084 20 30 EEEDMP C=CC[NH+](CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)Cc1cccnc1 ZINC001230923750 1303548902 /nfs/dbraw/zinc/54/89/02/1303548902.db2.gz KFFRCVWGYVMZRP-HDICACEKSA-N 2 1 344.503 2.449 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1cccnc1 ZINC001230923750 1303548907 /nfs/dbraw/zinc/54/89/07/1303548907.db2.gz KFFRCVWGYVMZRP-HDICACEKSA-N 2 1 344.503 2.449 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1cccnc1 ZINC001230923750 1303548914 /nfs/dbraw/zinc/54/89/14/1303548914.db2.gz KFFRCVWGYVMZRP-HDICACEKSA-N 2 1 344.503 2.449 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cccnc1 ZINC001230923755 1303549655 /nfs/dbraw/zinc/54/96/55/1303549655.db2.gz KFFRCVWGYVMZRP-ROUUACIJSA-N 2 1 344.503 2.449 20 30 EEEDMP C(CNN=C1CCCC[C@H]1[NH+]1CCCCCC1)C[NH+]1CCOCC1 ZINC000799489230 1305277059 /nfs/dbraw/zinc/27/70/59/1305277059.db2.gz QBMHTUSKYPCSSU-LJQANCHMSA-N 2 1 336.524 2.473 20 30 EEEDMP C(#Cc1ccc(C[NH+]2CC(N3CC[NH2+]CC3)C2)cc1)c1ccccc1 ZINC001236158819 1305516306 /nfs/dbraw/zinc/51/63/06/1305516306.db2.gz FJBGKGOOAHVASU-UHFFFAOYSA-N 2 1 331.463 2.176 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCCCC1 ZINC001115696463 1305630070 /nfs/dbraw/zinc/63/00/70/1305630070.db2.gz XZDPXMAOBACRLE-QGZVFWFLSA-N 2 1 342.487 2.186 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115754269 1305732790 /nfs/dbraw/zinc/73/27/90/1305732790.db2.gz XXDMEZWZXWALLS-UHFFFAOYSA-N 2 1 330.476 2.439 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120430921 1309532465 /nfs/dbraw/zinc/53/24/65/1309532465.db2.gz OJGPFMIGXUWYHC-QZTJIDSGSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120430921 1309532466 /nfs/dbraw/zinc/53/24/66/1309532466.db2.gz OJGPFMIGXUWYHC-QZTJIDSGSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120430921 1309532469 /nfs/dbraw/zinc/53/24/69/1309532469.db2.gz OJGPFMIGXUWYHC-QZTJIDSGSA-N 2 1 333.520 2.301 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001246304583 1310276717 /nfs/dbraw/zinc/27/67/17/1310276717.db2.gz NOJASMIFHNUIAG-MSOLQXFVSA-N 2 1 334.435 2.499 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3n2CCC3)CC1 ZINC001248825105 1310948773 /nfs/dbraw/zinc/94/87/73/1310948773.db2.gz PCWOZIKPYNYTSP-UHFFFAOYSA-N 2 1 328.504 2.226 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855422 1316068575 /nfs/dbraw/zinc/06/85/75/1316068575.db2.gz YTZRJSGDYRTFFW-AEFFLSMTSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149855422 1316068579 /nfs/dbraw/zinc/06/85/79/1316068579.db2.gz YTZRJSGDYRTFFW-AEFFLSMTSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001149855422 1316068584 /nfs/dbraw/zinc/06/85/84/1316068584.db2.gz YTZRJSGDYRTFFW-AEFFLSMTSA-N 2 1 337.508 2.033 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001155289369 1317539578 /nfs/dbraw/zinc/53/95/78/1317539578.db2.gz OWGJWVFTPLBCGO-QAPCUYQASA-N 2 1 330.476 2.225 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC001158381113 1319213478 /nfs/dbraw/zinc/21/34/78/1319213478.db2.gz XYYZQSLSVZMIMI-NVXWUHKLSA-N 2 1 347.890 2.128 20 30 EEEDMP C=CCN(CC=C)CC[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC001258777541 1319342818 /nfs/dbraw/zinc/34/28/18/1319342818.db2.gz XKGTVWQZKWCGNZ-UHFFFAOYSA-N 2 1 334.552 2.152 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131476 1320078753 /nfs/dbraw/zinc/07/87/53/1320078753.db2.gz NGNOQMBOYRQIAT-MOPGFXCFSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131476 1320078759 /nfs/dbraw/zinc/07/87/59/1320078759.db2.gz NGNOQMBOYRQIAT-MOPGFXCFSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131476 1320078764 /nfs/dbraw/zinc/07/87/64/1320078764.db2.gz NGNOQMBOYRQIAT-MOPGFXCFSA-N 2 1 329.488 2.023 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160399886 1320153936 /nfs/dbraw/zinc/15/39/36/1320153936.db2.gz GARHAHWWKITEJS-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160399886 1320153941 /nfs/dbraw/zinc/15/39/41/1320153941.db2.gz GARHAHWWKITEJS-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160399886 1320153945 /nfs/dbraw/zinc/15/39/45/1320153945.db2.gz GARHAHWWKITEJS-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C[Si](C)(C)C#Cc1cccnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160512399 1320180425 /nfs/dbraw/zinc/18/04/25/1320180425.db2.gz BHRKSOOTWYIPEX-GOSISDBHSA-N 2 1 328.536 2.146 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001160646569 1320221457 /nfs/dbraw/zinc/22/14/57/1320221457.db2.gz RCOSWWPFKHJPDT-UHFFFAOYSA-N 2 1 349.438 2.043 20 30 EEEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001162746493 1320948201 /nfs/dbraw/zinc/94/82/01/1320948201.db2.gz FJSDEEWQLQUHIQ-IBGZPJMESA-N 2 1 329.488 2.318 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001162935212 1320991264 /nfs/dbraw/zinc/99/12/64/1320991264.db2.gz UMHMEUHNRFUXPV-UHFFFAOYSA-N 2 1 343.515 2.258 20 30 EEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001165911926 1321615888 /nfs/dbraw/zinc/61/58/88/1321615888.db2.gz HEDCATYXIGVFRI-UHFFFAOYSA-N 2 1 334.464 2.192 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)C12CCC2 ZINC001203492684 1321895356 /nfs/dbraw/zinc/89/53/56/1321895356.db2.gz NJOQOAGNZZZNJG-ROUUACIJSA-N 2 1 349.519 2.082 20 30 EEEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C#N)cc1O)C2 ZINC001276494758 1323611069 /nfs/dbraw/zinc/61/10/69/1323611069.db2.gz ZCNGHFTUFUIWFT-HXUWFJFHSA-N 2 1 342.487 2.113 20 30 EEEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1O)C2 ZINC001276494758 1323611074 /nfs/dbraw/zinc/61/10/74/1323611074.db2.gz ZCNGHFTUFUIWFT-HXUWFJFHSA-N 2 1 342.487 2.113 20 30 EEEDMP [NH3+]CCN1CC[NH+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001209976510 1325117215 /nfs/dbraw/zinc/11/72/15/1325117215.db2.gz QZWFZGWWTXTJBJ-UHFFFAOYSA-N 2 1 325.481 2.224 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201094094 1368779215 /nfs/dbraw/zinc/77/92/15/1368779215.db2.gz NAGNUMFBFDYCEH-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201094094 1368779218 /nfs/dbraw/zinc/77/92/18/1368779218.db2.gz NAGNUMFBFDYCEH-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938240 1371329099 /nfs/dbraw/zinc/32/90/99/1371329099.db2.gz SCGCIYAKOGNUSP-ZWOKBUDYSA-N 2 1 331.504 2.408 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001112410776 1371433685 /nfs/dbraw/zinc/43/36/85/1371433685.db2.gz OSDHHBJBKNAJCK-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001112444312 1371443827 /nfs/dbraw/zinc/44/38/27/1371443827.db2.gz PEGNPBVCQIPIGH-ZJOUEHCJSA-N 2 1 345.531 2.348 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001366223360 1373846419 /nfs/dbraw/zinc/84/64/19/1373846419.db2.gz JGSVWIQSMJNGRE-OALUTQOASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001366223360 1373846422 /nfs/dbraw/zinc/84/64/22/1373846422.db2.gz JGSVWIQSMJNGRE-OALUTQOASA-N 2 1 342.487 2.369 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001378355077 1379884948 /nfs/dbraw/zinc/88/49/48/1379884948.db2.gz WXBGFOQEMVDPFO-SFHVURJKSA-N 2 1 340.471 2.171 20 30 EEEDMP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001381177935 1381547552 /nfs/dbraw/zinc/54/75/52/1381547552.db2.gz YJVOXNKHPHUCQD-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001382306847 1382060391 /nfs/dbraw/zinc/06/03/91/1382060391.db2.gz COBFCSRNZMWSFP-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001752674059 1406333944 /nfs/dbraw/zinc/33/39/44/1406333944.db2.gz UDCKBZTWUSLTEY-WKILWMFISA-N 2 1 325.416 2.084 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001398335237 1392192447 /nfs/dbraw/zinc/19/24/47/1392192447.db2.gz JBMNCVXSJNIJRD-HNNXBMFYSA-N 2 1 346.500 2.186 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001398335237 1392192455 /nfs/dbraw/zinc/19/24/55/1392192455.db2.gz JBMNCVXSJNIJRD-HNNXBMFYSA-N 2 1 346.500 2.186 20 30 EEEDMP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](Cc1ccc(C#N)s1)C1CC1 ZINC001400020862 1395819112 /nfs/dbraw/zinc/81/91/12/1395819112.db2.gz RDCBAMAPVLNTIV-KRWDZBQOSA-N 2 1 346.500 2.185 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](Cc1ccc(C#N)s1)C1CC1 ZINC001400020862 1395819119 /nfs/dbraw/zinc/81/91/19/1395819119.db2.gz RDCBAMAPVLNTIV-KRWDZBQOSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC001400020862 1395819128 /nfs/dbraw/zinc/81/91/28/1395819128.db2.gz RDCBAMAPVLNTIV-KRWDZBQOSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](Cc1ccc(C#N)s1)C1CC1 ZINC001400020862 1395819162 /nfs/dbraw/zinc/81/91/62/1395819162.db2.gz RDCBAMAPVLNTIV-KRWDZBQOSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(CC)cc1 ZINC001754313563 1406889086 /nfs/dbraw/zinc/88/90/86/1406889086.db2.gz YMUOTMRPIOWTLD-PXNSSMCTSA-N 2 1 341.499 2.283 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(CC)cc1 ZINC001754313563 1406889091 /nfs/dbraw/zinc/88/90/91/1406889091.db2.gz YMUOTMRPIOWTLD-PXNSSMCTSA-N 2 1 341.499 2.283 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(CC)cc1 ZINC001754313563 1406889095 /nfs/dbraw/zinc/88/90/95/1406889095.db2.gz YMUOTMRPIOWTLD-PXNSSMCTSA-N 2 1 341.499 2.283 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(CC)cc1 ZINC001754313563 1406889101 /nfs/dbraw/zinc/88/91/01/1406889101.db2.gz YMUOTMRPIOWTLD-PXNSSMCTSA-N 2 1 341.499 2.283 20 30 EEEDMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001755075678 1407085809 /nfs/dbraw/zinc/08/58/09/1407085809.db2.gz LHYTYOGYGPWQIL-LJQANCHMSA-N 2 1 329.488 2.447 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001755075678 1407085816 /nfs/dbraw/zinc/08/58/16/1407085816.db2.gz LHYTYOGYGPWQIL-LJQANCHMSA-N 2 1 329.488 2.447 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001755075678 1407085819 /nfs/dbraw/zinc/08/58/19/1407085819.db2.gz LHYTYOGYGPWQIL-LJQANCHMSA-N 2 1 329.488 2.447 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001423389937 1400566205 /nfs/dbraw/zinc/56/62/05/1400566205.db2.gz PXPIWCLVRQRYQL-LSDHHAIUSA-N 2 1 348.516 2.336 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001570735519 1403513339 /nfs/dbraw/zinc/51/33/39/1403513339.db2.gz FWNFIPNAUSKZNR-QAPCUYQASA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001570735519 1403513343 /nfs/dbraw/zinc/51/33/43/1403513343.db2.gz FWNFIPNAUSKZNR-QAPCUYQASA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@@H](C(=O)NCC1=CC[N@@H+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001755895200 1407965891 /nfs/dbraw/zinc/96/58/91/1407965891.db2.gz ZROKHNAAMUGDRS-IBGZPJMESA-N 2 1 340.471 2.147 20 30 EEEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000691565051 1410397185 /nfs/dbraw/zinc/39/71/85/1410397185.db2.gz WVMGCZONESFSEJ-RTBURBONSA-N 2 1 342.487 2.426 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458275 760845476 /nfs/dbraw/zinc/84/54/76/760845476.db2.gz AGZNUPGCZKEMAF-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458275 760845487 /nfs/dbraw/zinc/84/54/87/760845487.db2.gz AGZNUPGCZKEMAF-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458275 760845498 /nfs/dbraw/zinc/84/54/98/760845498.db2.gz AGZNUPGCZKEMAF-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477011 769655537 /nfs/dbraw/zinc/65/55/37/769655537.db2.gz JCRPWDZJNOEXQP-BZSNNMDCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477011 769655541 /nfs/dbraw/zinc/65/55/41/769655541.db2.gz JCRPWDZJNOEXQP-BZSNNMDCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477011 769655545 /nfs/dbraw/zinc/65/55/45/769655545.db2.gz JCRPWDZJNOEXQP-BZSNNMDCSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]2C1 ZINC001088043282 782811197 /nfs/dbraw/zinc/81/11/97/782811197.db2.gz JSJIRPQNCLQRTL-SJORKVTESA-N 2 1 342.487 2.118 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]2C1 ZINC001088043282 782811204 /nfs/dbraw/zinc/81/12/04/782811204.db2.gz JSJIRPQNCLQRTL-SJORKVTESA-N 2 1 342.487 2.118 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001089649286 773776055 /nfs/dbraw/zinc/77/60/55/773776055.db2.gz GOYFDWRSBKQRCC-IAGOWNOFSA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649286 773776064 /nfs/dbraw/zinc/77/60/64/773776064.db2.gz GOYFDWRSBKQRCC-IAGOWNOFSA-N 2 1 342.487 2.391 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820821 776963900 /nfs/dbraw/zinc/96/39/00/776963900.db2.gz PBULAVMPDSUIBY-FJIDUMEYSA-N 2 1 331.504 2.216 20 30 EEEDMP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001135437414 783766925 /nfs/dbraw/zinc/76/69/25/783766925.db2.gz RXYQQVCVPNCIET-UHFFFAOYSA-N 2 1 348.466 2.415 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001135437414 783766931 /nfs/dbraw/zinc/76/69/31/783766931.db2.gz RXYQQVCVPNCIET-UHFFFAOYSA-N 2 1 348.466 2.415 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCC(=C)C)C2)CC1 ZINC001035195372 784088413 /nfs/dbraw/zinc/08/84/13/784088413.db2.gz TZLVTEIWVLIKNM-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCC(=C)C)C2)CC1 ZINC001035195372 784088422 /nfs/dbraw/zinc/08/84/22/784088422.db2.gz TZLVTEIWVLIKNM-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC(=C)C)C2)CC1 ZINC001035195372 784088429 /nfs/dbraw/zinc/08/84/29/784088429.db2.gz TZLVTEIWVLIKNM-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC(=C)C)C2)CC1 ZINC001035195372 784088435 /nfs/dbraw/zinc/08/84/35/784088435.db2.gz TZLVTEIWVLIKNM-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1ccnc1)CC2 ZINC001035231244 784198935 /nfs/dbraw/zinc/19/89/35/784198935.db2.gz LHEINSRXDGOERH-KRWDZBQOSA-N 2 1 328.460 2.172 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000819335529 785511375 /nfs/dbraw/zinc/51/13/75/785511375.db2.gz KLBCYLLZJBFAFS-ZWKOTPCHSA-N 2 1 345.512 2.225 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000819335529 785511378 /nfs/dbraw/zinc/51/13/78/785511378.db2.gz KLBCYLLZJBFAFS-ZWKOTPCHSA-N 2 1 345.512 2.225 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000995923210 785823529 /nfs/dbraw/zinc/82/35/29/785823529.db2.gz MAXKLUQPJIFSMU-ZWKOTPCHSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000995923210 785823533 /nfs/dbraw/zinc/82/35/33/785823533.db2.gz MAXKLUQPJIFSMU-ZWKOTPCHSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1(C)C ZINC000996462155 786406128 /nfs/dbraw/zinc/40/61/28/786406128.db2.gz NMSCGVVHLUBUNM-KRWDZBQOSA-N 2 1 339.443 2.284 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587892 787779776 /nfs/dbraw/zinc/77/97/76/787779776.db2.gz ZYMSFJRKJCEFBF-UYAOXDASSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001171069038 788310390 /nfs/dbraw/zinc/31/03/90/788310390.db2.gz YXMCPALTLPJEGL-JKSUJKDBSA-N 2 1 332.448 2.145 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001091111782 789793836 /nfs/dbraw/zinc/79/38/36/789793836.db2.gz CKELADGTRBTSEA-GPANFISMSA-N 2 1 327.900 2.344 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001146592810 791361969 /nfs/dbraw/zinc/36/19/69/791361969.db2.gz LMKAAPXJRZFBCD-JKSUJKDBSA-N 2 1 330.476 2.271 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998005657 791817169 /nfs/dbraw/zinc/81/71/69/791817169.db2.gz HRSQCFWVNHBKBC-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC(C)C)C2 ZINC001147737094 791937466 /nfs/dbraw/zinc/93/74/66/791937466.db2.gz PXOANICKGGDZCY-OALUTQOASA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)CC(C)C)C2 ZINC001147737094 791937469 /nfs/dbraw/zinc/93/74/69/791937469.db2.gz PXOANICKGGDZCY-OALUTQOASA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC(C)C)C2 ZINC001147737094 791937473 /nfs/dbraw/zinc/93/74/73/791937473.db2.gz PXOANICKGGDZCY-OALUTQOASA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC(C)C)C2 ZINC001147737094 791937474 /nfs/dbraw/zinc/93/74/74/791937474.db2.gz PXOANICKGGDZCY-OALUTQOASA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC(C)C)C2 ZINC001147737094 791937478 /nfs/dbraw/zinc/93/74/78/791937478.db2.gz PXOANICKGGDZCY-OALUTQOASA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147986065 792107966 /nfs/dbraw/zinc/10/79/66/792107966.db2.gz MPKFIGXVEBGXSC-UHFFFAOYSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147986065 792107973 /nfs/dbraw/zinc/10/79/73/792107973.db2.gz MPKFIGXVEBGXSC-UHFFFAOYSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147986065 792107976 /nfs/dbraw/zinc/10/79/76/792107976.db2.gz MPKFIGXVEBGXSC-UHFFFAOYSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738403 792600715 /nfs/dbraw/zinc/60/07/15/792600715.db2.gz WWYUOMJQVVSYCS-MDZRGWNJSA-N 2 1 328.460 2.117 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738403 792600721 /nfs/dbraw/zinc/60/07/21/792600721.db2.gz WWYUOMJQVVSYCS-MDZRGWNJSA-N 2 1 328.460 2.117 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304447 793781226 /nfs/dbraw/zinc/78/12/26/793781226.db2.gz JXDJMCBFUYWSTF-DYXWJJEUSA-N 2 1 339.483 2.093 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304447 793781234 /nfs/dbraw/zinc/78/12/34/793781234.db2.gz JXDJMCBFUYWSTF-DYXWJJEUSA-N 2 1 339.483 2.093 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000999278303 794200798 /nfs/dbraw/zinc/20/07/98/794200798.db2.gz IMMYPXRGXRPKNM-FHERZECASA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717267 794610354 /nfs/dbraw/zinc/61/03/54/794610354.db2.gz SSASLDPRPZICEF-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106150715 795127686 /nfs/dbraw/zinc/12/76/86/795127686.db2.gz BNHFPXKKPWZZQX-DMRZNYOFSA-N 2 1 327.900 2.153 20 30 EEEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC(C)(C)C1)CCO2 ZINC001093408129 795146711 /nfs/dbraw/zinc/14/67/11/795146711.db2.gz VPOUQDHWTFJZAF-UHFFFAOYSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441102 796014987 /nfs/dbraw/zinc/01/49/87/796014987.db2.gz AAOSKBTYMVOFHU-RKVPGOIHSA-N 2 1 325.472 2.212 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001080441102 796014992 /nfs/dbraw/zinc/01/49/92/796014992.db2.gz AAOSKBTYMVOFHU-RKVPGOIHSA-N 2 1 325.472 2.212 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001080441102 796015002 /nfs/dbraw/zinc/01/50/02/796015002.db2.gz AAOSKBTYMVOFHU-RKVPGOIHSA-N 2 1 325.472 2.212 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094550296 796425351 /nfs/dbraw/zinc/42/53/51/796425351.db2.gz WQYCFNDMUYXQPJ-UYAOXDASSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001081179680 796678874 /nfs/dbraw/zinc/67/88/74/796678874.db2.gz FCPHLVZMBNEWSF-NZSAHSFTSA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993820222 797050009 /nfs/dbraw/zinc/05/00/09/797050009.db2.gz JJDRZGOOTDSLNB-WBVHZDCISA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993820222 797050014 /nfs/dbraw/zinc/05/00/14/797050014.db2.gz JJDRZGOOTDSLNB-WBVHZDCISA-N 2 1 346.475 2.429 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001106868391 797558768 /nfs/dbraw/zinc/55/87/68/797558768.db2.gz FCKVFRCBAQBETH-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049465 798638080 /nfs/dbraw/zinc/63/80/80/798638080.db2.gz BZWAJLARJXUWDE-OTWHNJEPSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001003007365 799025871 /nfs/dbraw/zinc/02/58/71/799025871.db2.gz HDSNJDVZNMIZMK-HNNXBMFYSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001003007365 799025879 /nfs/dbraw/zinc/02/58/79/799025879.db2.gz HDSNJDVZNMIZMK-HNNXBMFYSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001182629369 801264920 /nfs/dbraw/zinc/26/49/20/801264920.db2.gz DSMDFAIWMGTPGF-LZQZEXGQSA-N 2 1 339.499 2.459 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001182615115 801280461 /nfs/dbraw/zinc/28/04/61/801280461.db2.gz VGFMYFATECPJTI-DNVCBOLYSA-N 2 1 346.475 2.144 20 30 EEEDMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001183255249 801539968 /nfs/dbraw/zinc/53/99/68/801539968.db2.gz LNJSIPZFOQSOCS-RTBURBONSA-N 2 1 348.450 2.003 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(=C)C)CC1 ZINC001004460429 802128466 /nfs/dbraw/zinc/12/84/66/802128466.db2.gz ZEPKWUHIDWWBAO-PMACEKPBSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(=C)C)CC1 ZINC001004460429 802128468 /nfs/dbraw/zinc/12/84/68/802128468.db2.gz ZEPKWUHIDWWBAO-PMACEKPBSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(=C)C)CC1 ZINC001004460429 802128472 /nfs/dbraw/zinc/12/84/72/802128472.db2.gz ZEPKWUHIDWWBAO-PMACEKPBSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC(=C)C)CC1 ZINC001004460429 802128475 /nfs/dbraw/zinc/12/84/75/802128475.db2.gz ZEPKWUHIDWWBAO-PMACEKPBSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC(=C)C)CC1 ZINC001004460429 802128477 /nfs/dbraw/zinc/12/84/77/802128477.db2.gz ZEPKWUHIDWWBAO-PMACEKPBSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623997 802294514 /nfs/dbraw/zinc/29/45/14/802294514.db2.gz YARPXAWHZZVEEG-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623997 802294517 /nfs/dbraw/zinc/29/45/17/802294517.db2.gz YARPXAWHZZVEEG-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623997 802294523 /nfs/dbraw/zinc/29/45/23/802294523.db2.gz YARPXAWHZZVEEG-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185307574 802453323 /nfs/dbraw/zinc/45/33/23/802453323.db2.gz RAAWGYVHHCGZEH-SJLPKXTDSA-N 2 1 330.476 2.069 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108398682 803438711 /nfs/dbraw/zinc/43/87/11/803438711.db2.gz KEGMHZCHPKKCKI-IBGZPJMESA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108398682 803438714 /nfs/dbraw/zinc/43/87/14/803438714.db2.gz KEGMHZCHPKKCKI-IBGZPJMESA-N 2 1 348.491 2.145 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108803094 804528418 /nfs/dbraw/zinc/52/84/18/804528418.db2.gz WGJPRMASCKBYCK-JYJNAYRXSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108803095 804528502 /nfs/dbraw/zinc/52/85/02/804528502.db2.gz WGJPRMASCKBYCK-XHSDSOJGSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086579222 808152365 /nfs/dbraw/zinc/15/23/65/808152365.db2.gz RMXPRKCUECBOFO-IPMKNSEASA-N 2 1 327.472 2.241 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001086579222 808152369 /nfs/dbraw/zinc/15/23/69/808152369.db2.gz RMXPRKCUECBOFO-IPMKNSEASA-N 2 1 327.472 2.241 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001086579222 808152374 /nfs/dbraw/zinc/15/23/74/808152374.db2.gz RMXPRKCUECBOFO-IPMKNSEASA-N 2 1 327.472 2.241 20 30 EEEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001086609569 810042255 /nfs/dbraw/zinc/04/22/55/810042255.db2.gz NCNVTIOWKHEMEQ-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001086609569 810042260 /nfs/dbraw/zinc/04/22/60/810042260.db2.gz NCNVTIOWKHEMEQ-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001086609569 810042263 /nfs/dbraw/zinc/04/22/63/810042263.db2.gz NCNVTIOWKHEMEQ-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(C#N)s1 ZINC001437596429 1090100623 /nfs/dbraw/zinc/10/06/23/1090100623.db2.gz BVJHVCVXXSTSLM-KRWDZBQOSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(C#N)s1 ZINC001437596429 1090100628 /nfs/dbraw/zinc/10/06/28/1090100628.db2.gz BVJHVCVXXSTSLM-KRWDZBQOSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(C#N)s1 ZINC001437596429 1090100630 /nfs/dbraw/zinc/10/06/30/1090100630.db2.gz BVJHVCVXXSTSLM-KRWDZBQOSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(C#N)s1 ZINC001437596429 1090100634 /nfs/dbraw/zinc/10/06/34/1090100634.db2.gz BVJHVCVXXSTSLM-KRWDZBQOSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001449023644 1094028697 /nfs/dbraw/zinc/02/86/97/1094028697.db2.gz WRKQLHXJRSVSNE-RHSMWYFYSA-N 2 1 346.450 2.118 20 30 EEEDMP C[NH+]1CCC(C(=O)NCC[N@H+](Cc2ccc(C#N)s2)C2CC2)CC1 ZINC001443031781 1097439721 /nfs/dbraw/zinc/43/97/21/1097439721.db2.gz MYZDZIFJTVWHER-UHFFFAOYSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CCC(C(=O)NCC[N@@H+](Cc2ccc(C#N)s2)C2CC2)CC1 ZINC001443031781 1097439726 /nfs/dbraw/zinc/43/97/26/1097439726.db2.gz MYZDZIFJTVWHER-UHFFFAOYSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001496614553 1101219268 /nfs/dbraw/zinc/21/92/68/1101219268.db2.gz GLFDDRYPDTXVSA-CQSZACIVSA-N 2 1 326.872 2.489 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001495667970 1101409498 /nfs/dbraw/zinc/40/94/98/1101409498.db2.gz SZXGJANBAONPLZ-GXTWGEPZSA-N 2 1 346.313 2.110 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942209347 781985652 /nfs/dbraw/zinc/98/56/52/781985652.db2.gz VSMUHSPCKIKJTG-HOCLYGCPSA-N 2 1 334.464 2.143 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942209347 781985663 /nfs/dbraw/zinc/98/56/63/781985663.db2.gz VSMUHSPCKIKJTG-HOCLYGCPSA-N 2 1 334.464 2.143 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000296461846 465202839 /nfs/dbraw/zinc/20/28/39/465202839.db2.gz WCODIMRXLZYMOZ-UHFFFAOYSA-N 2 1 344.503 2.281 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000296461846 465202845 /nfs/dbraw/zinc/20/28/45/465202845.db2.gz WCODIMRXLZYMOZ-UHFFFAOYSA-N 2 1 344.503 2.281 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000296461846 465202849 /nfs/dbraw/zinc/20/28/49/465202849.db2.gz WCODIMRXLZYMOZ-UHFFFAOYSA-N 2 1 344.503 2.281 20 30 EEEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000127122395 463682985 /nfs/dbraw/zinc/68/29/85/463682985.db2.gz VLIVLNMAHMRMGP-UHFFFAOYSA-N 2 1 348.878 2.310 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccsc1Br ZINC000261665132 463820943 /nfs/dbraw/zinc/82/09/43/463820943.db2.gz FXZSQUXPIJMFQY-NSHDSACASA-N 2 1 345.310 2.399 20 30 EEEDMP C=CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000261898244 463892163 /nfs/dbraw/zinc/89/21/63/463892163.db2.gz VKJPAFJKKAMBPT-YJBOKZPZSA-N 2 1 326.448 2.211 20 30 EEEDMP COCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270547570 464261110 /nfs/dbraw/zinc/26/11/10/464261110.db2.gz FFAPPXDIYJQNPT-SWLSCSKDSA-N 2 1 342.846 2.023 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(-c2ccccc2)no1 ZINC000264078890 464280223 /nfs/dbraw/zinc/28/02/23/464280223.db2.gz GTTNTSOEJKUQTH-HNNXBMFYSA-N 2 1 327.432 2.230 20 30 EEEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000368236191 466590238 /nfs/dbraw/zinc/59/02/38/466590238.db2.gz RZODGBJYINLSTL-OJAHFUOMSA-N 2 1 339.483 2.015 20 30 EEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)C#N ZINC000374200617 467031503 /nfs/dbraw/zinc/03/15/03/467031503.db2.gz DUWOVIFFHSXVMC-UHFFFAOYSA-N 2 1 334.508 2.191 20 30 EEEDMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1C#N ZINC000488130753 468072951 /nfs/dbraw/zinc/07/29/51/468072951.db2.gz WGNASQRBGDXDAD-FXAWDEMLSA-N 2 1 326.488 2.325 20 30 EEEDMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1C#N ZINC000488130753 468072954 /nfs/dbraw/zinc/07/29/54/468072954.db2.gz WGNASQRBGDXDAD-FXAWDEMLSA-N 2 1 326.488 2.325 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622599 676277074 /nfs/dbraw/zinc/27/70/74/676277074.db2.gz KLEUXBGLZJPALS-MJGOQNOKSA-N 2 1 336.439 2.284 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000971705079 676748287 /nfs/dbraw/zinc/74/82/87/676748287.db2.gz ZBCXXYYNNZLHSU-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000971705079 676748290 /nfs/dbraw/zinc/74/82/90/676748290.db2.gz ZBCXXYYNNZLHSU-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2CC3(CCC3)C2)C1 ZINC000971705079 676748291 /nfs/dbraw/zinc/74/82/91/676748291.db2.gz ZBCXXYYNNZLHSU-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2CC3(CCC3)C2)C1 ZINC000971705079 676748294 /nfs/dbraw/zinc/74/82/94/676748294.db2.gz ZBCXXYYNNZLHSU-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001023130686 679137510 /nfs/dbraw/zinc/13/75/10/679137510.db2.gz ZRMKVFKZHLABOK-JKIFEVAISA-N 2 1 346.500 2.231 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001023553997 679374514 /nfs/dbraw/zinc/37/45/14/679374514.db2.gz DUABFHQASCBPFE-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000972858423 679825120 /nfs/dbraw/zinc/82/51/20/679825120.db2.gz YBLAISYLGDOTIN-HOTGVXAUSA-N 2 1 346.500 2.041 20 30 EEEDMP CN1CCC[C@H]1C(=O)N[C@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000972858423 679825121 /nfs/dbraw/zinc/82/51/21/679825121.db2.gz YBLAISYLGDOTIN-HOTGVXAUSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000984801128 685276585 /nfs/dbraw/zinc/27/65/85/685276585.db2.gz ZJTOSYBPWCNTDW-SNRMKQJTSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024517065 680022864 /nfs/dbraw/zinc/02/28/64/680022864.db2.gz QMBONULZAQPFCS-IRXDYDNUSA-N 2 1 330.476 2.382 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982616035 681801417 /nfs/dbraw/zinc/80/14/17/681801417.db2.gz BCAAOJGJCBAXMV-NRSPTQNISA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025288976 682397829 /nfs/dbraw/zinc/39/78/29/682397829.db2.gz NVTPCMDRJMUNLJ-RBUKOAKNSA-N 2 1 340.471 2.240 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301266 682414180 /nfs/dbraw/zinc/41/41/80/682414180.db2.gz IMXFPTDSVKLDHO-RTBURBONSA-N 2 1 331.504 2.341 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591387 683061157 /nfs/dbraw/zinc/06/11/57/683061157.db2.gz BCAUKNSAUALRNC-YLJYHZDGSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC000992738979 683341711 /nfs/dbraw/zinc/34/17/11/683341711.db2.gz IVECFPKWIQEIAJ-USXIJHARSA-N 2 1 346.475 2.143 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CC3CCCC3)C2)CC1 ZINC001029909622 688248177 /nfs/dbraw/zinc/24/81/77/688248177.db2.gz OUQCZLWOJRIXPA-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCC[C@@H](SC)C1 ZINC000262750623 688340823 /nfs/dbraw/zinc/34/08/23/688340823.db2.gz BVCBGFPIWBIPQM-IIAWOOMASA-N 2 1 344.594 2.263 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000986962590 689131981 /nfs/dbraw/zinc/13/19/81/689131981.db2.gz TUZABXAJSVYONY-ZBFHGGJFSA-N 2 1 332.448 2.039 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622898 692857759 /nfs/dbraw/zinc/85/77/59/692857759.db2.gz UGQKJYRAXOESDM-SFHVURJKSA-N 2 1 327.472 2.212 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880465 1192643073 /nfs/dbraw/zinc/64/30/73/1192643073.db2.gz MCBDTOIEVIWUEW-HAGHYFMRSA-N 2 1 345.531 2.463 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001266467938 1176592318 /nfs/dbraw/zinc/59/23/18/1176592318.db2.gz GUKKDMQHMFMJIS-PMACEKPBSA-N 2 1 341.499 2.205 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001266467938 1176592323 /nfs/dbraw/zinc/59/23/23/1176592323.db2.gz GUKKDMQHMFMJIS-PMACEKPBSA-N 2 1 341.499 2.205 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481502310 1181579481 /nfs/dbraw/zinc/57/94/81/1181579481.db2.gz KVBVPPVZYSYVGU-INIZCTEOSA-N 2 1 327.900 2.251 20 30 EEEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)CCO2 ZINC001105482002 1188098441 /nfs/dbraw/zinc/09/84/41/1188098441.db2.gz PCOYNQHTTQTDAB-ZJRDLVKKSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539661 1188161077 /nfs/dbraw/zinc/16/10/77/1188161077.db2.gz MNKJANNJCAKJCA-KURKYZTESA-N 2 1 331.504 2.101 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001168363537 1188566576 /nfs/dbraw/zinc/56/65/76/1188566576.db2.gz IOVQJPQLNIYYIE-UHFFFAOYSA-N 2 1 339.443 2.140 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001033836403 1195354679 /nfs/dbraw/zinc/35/46/79/1195354679.db2.gz AWNXWHNQEQOWLR-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001033836403 1195354683 /nfs/dbraw/zinc/35/46/83/1195354683.db2.gz AWNXWHNQEQOWLR-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033836403 1195354688 /nfs/dbraw/zinc/35/46/88/1195354688.db2.gz AWNXWHNQEQOWLR-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033836403 1195354693 /nfs/dbraw/zinc/35/46/93/1195354693.db2.gz AWNXWHNQEQOWLR-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033836403 1195354696 /nfs/dbraw/zinc/35/46/96/1195354696.db2.gz AWNXWHNQEQOWLR-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033836403 1195354701 /nfs/dbraw/zinc/35/47/01/1195354701.db2.gz AWNXWHNQEQOWLR-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001034537807 1196358848 /nfs/dbraw/zinc/35/88/48/1196358848.db2.gz DLKDACXMBXTANU-QZTJIDSGSA-N 2 1 337.483 2.050 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC#Cc1ccccc1 ZINC001132269528 1199508273 /nfs/dbraw/zinc/50/82/73/1199508273.db2.gz LKIDOMRLQQMKGZ-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC#Cc1ccccc1 ZINC001132269528 1199508278 /nfs/dbraw/zinc/50/82/78/1199508278.db2.gz LKIDOMRLQQMKGZ-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335868 1199584299 /nfs/dbraw/zinc/58/42/99/1199584299.db2.gz VOTFRKHGNNOFPM-DLBZAZTESA-N 2 1 330.476 2.389 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335868 1199584306 /nfs/dbraw/zinc/58/43/06/1199584306.db2.gz VOTFRKHGNNOFPM-DLBZAZTESA-N 2 1 330.476 2.389 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132409866 1199676519 /nfs/dbraw/zinc/67/65/19/1199676519.db2.gz GAPDLVGDJMEWGS-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132409866 1199676521 /nfs/dbraw/zinc/67/65/21/1199676521.db2.gz GAPDLVGDJMEWGS-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001132409866 1199676522 /nfs/dbraw/zinc/67/65/22/1199676522.db2.gz GAPDLVGDJMEWGS-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001132409866 1199676524 /nfs/dbraw/zinc/67/65/24/1199676524.db2.gz GAPDLVGDJMEWGS-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)cn3)(C1)CCC2 ZINC001275032615 1205239434 /nfs/dbraw/zinc/23/94/34/1205239434.db2.gz WJPZVZSIBSUSLG-MOPGFXCFSA-N 2 1 344.459 2.098 20 30 EEEDMP C#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)cc1 ZINC001275132424 1205264633 /nfs/dbraw/zinc/26/46/33/1205264633.db2.gz SLDCCFMDDGKBNO-OYRHEFFESA-N 2 1 325.500 2.373 20 30 EEEDMP C#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)cc1 ZINC001275132424 1205264635 /nfs/dbraw/zinc/26/46/35/1205264635.db2.gz SLDCCFMDDGKBNO-OYRHEFFESA-N 2 1 325.500 2.373 20 30 EEEDMP C#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)cc1 ZINC001275132424 1205264637 /nfs/dbraw/zinc/26/46/37/1205264637.db2.gz SLDCCFMDDGKBNO-OYRHEFFESA-N 2 1 325.500 2.373 20 30 EEEDMP C#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)cc1 ZINC001275132424 1205264639 /nfs/dbraw/zinc/26/46/39/1205264639.db2.gz SLDCCFMDDGKBNO-OYRHEFFESA-N 2 1 325.500 2.373 20 30 EEEDMP C#Cc1ccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)cc1 ZINC001275132424 1205264640 /nfs/dbraw/zinc/26/46/40/1205264640.db2.gz SLDCCFMDDGKBNO-OYRHEFFESA-N 2 1 325.500 2.373 20 30 EEEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCOCC2)cc1C#N ZINC001275171836 1205273354 /nfs/dbraw/zinc/27/33/54/1205273354.db2.gz PEEDOMYELYSMJV-YQQQUEKLSA-N 2 1 342.487 2.408 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c[nH]c3cc(C#N)ccc13)C2 ZINC001275786089 1205526290 /nfs/dbraw/zinc/52/62/90/1205526290.db2.gz CLTYKRTVXZZVKN-AEFFLSMTSA-N 2 1 337.471 2.107 20 30 EEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)cc1 ZINC001275959352 1205603222 /nfs/dbraw/zinc/60/32/22/1205603222.db2.gz CFNFLZLDVWNGPZ-AZUAARDMSA-N 2 1 329.488 2.319 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001111228449 1208393387 /nfs/dbraw/zinc/39/33/87/1208393387.db2.gz HBPLKAOORJEPGR-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001111228449 1208393388 /nfs/dbraw/zinc/39/33/88/1208393388.db2.gz HBPLKAOORJEPGR-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001111228449 1208393390 /nfs/dbraw/zinc/39/33/90/1208393390.db2.gz HBPLKAOORJEPGR-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908771 1208771413 /nfs/dbraw/zinc/77/14/13/1208771413.db2.gz VHCIPYCEFJFAAS-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnccc1N(C)C)C2 ZINC001111283273 1209374131 /nfs/dbraw/zinc/37/41/31/1209374131.db2.gz KNCPUOQJXXUJLO-KYJSFNMBSA-N 2 1 328.460 2.449 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111283273 1209374134 /nfs/dbraw/zinc/37/41/34/1209374134.db2.gz KNCPUOQJXXUJLO-KYJSFNMBSA-N 2 1 328.460 2.449 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111283273 1209374138 /nfs/dbraw/zinc/37/41/38/1209374138.db2.gz KNCPUOQJXXUJLO-KYJSFNMBSA-N 2 1 328.460 2.449 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001114848842 1215834956 /nfs/dbraw/zinc/83/49/56/1215834956.db2.gz GXQQRGSEELNMKG-KXTWHKPSSA-N 2 1 341.499 2.174 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCc1ccccc1 ZINC001114848842 1215834957 /nfs/dbraw/zinc/83/49/57/1215834957.db2.gz GXQQRGSEELNMKG-KXTWHKPSSA-N 2 1 341.499 2.174 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCc1ccccc1 ZINC001114848842 1215834958 /nfs/dbraw/zinc/83/49/58/1215834958.db2.gz GXQQRGSEELNMKG-KXTWHKPSSA-N 2 1 341.499 2.174 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(F)cc1Cl ZINC000304758921 1216103487 /nfs/dbraw/zinc/10/34/87/1216103487.db2.gz QPIGVSJZDXCORV-CQSZACIVSA-N 2 1 326.847 2.410 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000960312009 1216486762 /nfs/dbraw/zinc/48/67/62/1216486762.db2.gz DXPBHEFHRJBIRU-PWIZWCRZSA-N 2 1 339.483 2.256 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230123 1217099098 /nfs/dbraw/zinc/09/90/98/1217099098.db2.gz KLTMRXQSZXMAAK-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230123 1217099100 /nfs/dbraw/zinc/09/91/00/1217099100.db2.gz KLTMRXQSZXMAAK-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230123 1217099102 /nfs/dbraw/zinc/09/91/02/1217099102.db2.gz KLTMRXQSZXMAAK-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000963320476 1217513995 /nfs/dbraw/zinc/51/39/95/1217513995.db2.gz BXDIMODCXBTGNI-QAPCUYQASA-N 2 1 346.475 2.239 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000963320476 1217513996 /nfs/dbraw/zinc/51/39/96/1217513996.db2.gz BXDIMODCXBTGNI-QAPCUYQASA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000965065731 1218869544 /nfs/dbraw/zinc/86/95/44/1218869544.db2.gz ZPVICLCXLVDLCV-UHFFFAOYSA-N 2 1 339.911 2.488 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423949 1220500380 /nfs/dbraw/zinc/50/03/80/1220500380.db2.gz MJKPFTJWCHWWQK-XLIONFOSSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC=C(C)C)CC[C@H]2C)CC1 ZINC000968680616 1221486924 /nfs/dbraw/zinc/48/69/24/1221486924.db2.gz BWYSTPNSLSSOQI-MJGOQNOKSA-N 2 1 331.504 2.124 20 30 EEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000968925561 1221677197 /nfs/dbraw/zinc/67/71/97/1221677197.db2.gz HJJNCVCUGBLYPT-HNNXBMFYSA-N 2 1 334.464 2.287 20 30 EEEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000968925561 1221677203 /nfs/dbraw/zinc/67/72/03/1221677203.db2.gz HJJNCVCUGBLYPT-HNNXBMFYSA-N 2 1 334.464 2.287 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001016734081 1226825611 /nfs/dbraw/zinc/82/56/11/1226825611.db2.gz RLJYAVPYGBFPMO-SFHVURJKSA-N 2 1 342.487 2.309 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017148177 1227170464 /nfs/dbraw/zinc/17/04/64/1227170464.db2.gz GRIHHGNWYAOTGE-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017148177 1227170471 /nfs/dbraw/zinc/17/04/71/1227170471.db2.gz GRIHHGNWYAOTGE-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017148177 1227170473 /nfs/dbraw/zinc/17/04/73/1227170473.db2.gz GRIHHGNWYAOTGE-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017148177 1227170478 /nfs/dbraw/zinc/17/04/78/1227170478.db2.gz GRIHHGNWYAOTGE-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017148177 1227170483 /nfs/dbraw/zinc/17/04/83/1227170483.db2.gz GRIHHGNWYAOTGE-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CCCCCC2)CC1 ZINC001039042271 1230258900 /nfs/dbraw/zinc/25/89/00/1230258900.db2.gz OULPKWIFABNRPY-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131910 1230341452 /nfs/dbraw/zinc/34/14/52/1230341452.db2.gz YJJPJDIYVZJMQL-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039165697 1230387164 /nfs/dbraw/zinc/38/71/64/1230387164.db2.gz RIPGKOLOBGYCBZ-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039165697 1230387169 /nfs/dbraw/zinc/38/71/69/1230387169.db2.gz RIPGKOLOBGYCBZ-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039165697 1230387173 /nfs/dbraw/zinc/38/71/73/1230387173.db2.gz RIPGKOLOBGYCBZ-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167414 1230391054 /nfs/dbraw/zinc/39/10/54/1230391054.db2.gz TVLOSKIZNGRZCA-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167414 1230391058 /nfs/dbraw/zinc/39/10/58/1230391058.db2.gz TVLOSKIZNGRZCA-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167414 1230391060 /nfs/dbraw/zinc/39/10/60/1230391060.db2.gz TVLOSKIZNGRZCA-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039242866 1230476840 /nfs/dbraw/zinc/47/68/40/1230476840.db2.gz CUQVAQQTLVJGQP-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001039397485 1230580633 /nfs/dbraw/zinc/58/06/33/1230580633.db2.gz KFFSODNSNGLOHP-MSOLQXFVSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001039397485 1230580638 /nfs/dbraw/zinc/58/06/38/1230580638.db2.gz KFFSODNSNGLOHP-MSOLQXFVSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397485 1230580641 /nfs/dbraw/zinc/58/06/41/1230580641.db2.gz KFFSODNSNGLOHP-MSOLQXFVSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397485 1230580642 /nfs/dbraw/zinc/58/06/42/1230580642.db2.gz KFFSODNSNGLOHP-MSOLQXFVSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242701 1231127522 /nfs/dbraw/zinc/12/75/22/1231127522.db2.gz ZWEWTTMFFPTFLZ-FXAWDEMLSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242701 1231127523 /nfs/dbraw/zinc/12/75/23/1231127523.db2.gz ZWEWTTMFFPTFLZ-FXAWDEMLSA-N 2 1 340.471 2.098 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040367962 1231189184 /nfs/dbraw/zinc/18/91/84/1231189184.db2.gz CPJOLKYRXFDDSN-SFHVURJKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040367962 1231189187 /nfs/dbraw/zinc/18/91/87/1231189187.db2.gz CPJOLKYRXFDDSN-SFHVURJKSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040953181 1231408971 /nfs/dbraw/zinc/40/89/71/1231408971.db2.gz KHUYWANGOQZLBS-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001045944110 1234204395 /nfs/dbraw/zinc/20/43/95/1234204395.db2.gz XOBJOTPIFGOVPD-AZUAARDMSA-N 2 1 349.494 2.148 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001045944110 1234204400 /nfs/dbraw/zinc/20/44/00/1234204400.db2.gz XOBJOTPIFGOVPD-AZUAARDMSA-N 2 1 349.494 2.148 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCCF)C2)C1 ZINC001045944110 1234204405 /nfs/dbraw/zinc/20/44/05/1234204405.db2.gz XOBJOTPIFGOVPD-AZUAARDMSA-N 2 1 349.494 2.148 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCCF)C2)C1 ZINC001045944110 1234204407 /nfs/dbraw/zinc/20/44/07/1234204407.db2.gz XOBJOTPIFGOVPD-AZUAARDMSA-N 2 1 349.494 2.148 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001045980039 1234270219 /nfs/dbraw/zinc/27/02/19/1234270219.db2.gz PPUALSYCBSPFTG-HXUWFJFHSA-N 2 1 342.487 2.415 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCC)C3)CC1 ZINC001047209191 1235673102 /nfs/dbraw/zinc/67/31/02/1235673102.db2.gz QYOWNJYKHGFRNX-WDSOQIARSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC=C)CC1 ZINC001048589944 1238040887 /nfs/dbraw/zinc/04/08/87/1238040887.db2.gz DLKIXVBMIKUPHZ-FNLKRUPLSA-N 2 1 343.515 2.267 20 30 EEEDMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C#N)c1 ZINC000902793483 1238544963 /nfs/dbraw/zinc/54/49/63/1238544963.db2.gz ITZKOGBMSADMDV-ZWKOTPCHSA-N 2 1 328.460 2.186 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049692194 1241891891 /nfs/dbraw/zinc/89/18/91/1241891891.db2.gz DNMSEDFAWCXJGR-CVEARBPZSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049692194 1241891897 /nfs/dbraw/zinc/89/18/97/1241891897.db2.gz DNMSEDFAWCXJGR-CVEARBPZSA-N 2 1 325.884 2.146 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762218 1242118902 /nfs/dbraw/zinc/11/89/02/1242118902.db2.gz OKUISAWCQJHHMG-IRXDYDNUSA-N 2 1 328.460 2.095 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762218 1242118903 /nfs/dbraw/zinc/11/89/03/1242118903.db2.gz OKUISAWCQJHHMG-IRXDYDNUSA-N 2 1 328.460 2.095 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913452 1242676728 /nfs/dbraw/zinc/67/67/28/1242676728.db2.gz YFDXIRYMRYCJIP-PMACEKPBSA-N 2 1 339.483 2.450 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001050140770 1242967214 /nfs/dbraw/zinc/96/72/14/1242967214.db2.gz PKXICYMFIRLGPB-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001050140770 1242967220 /nfs/dbraw/zinc/96/72/20/1242967220.db2.gz PKXICYMFIRLGPB-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001050563315 1243850680 /nfs/dbraw/zinc/85/06/80/1243850680.db2.gz CBSONIJAEUHOAM-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)CC1 ZINC001050663418 1244074753 /nfs/dbraw/zinc/07/47/53/1244074753.db2.gz UHNNMJMBCXVZLO-IBGZPJMESA-N 2 1 337.483 2.309 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052701277 1244783791 /nfs/dbraw/zinc/78/37/91/1244783791.db2.gz CALFXXHCSJBBRT-VQIMIIECSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701277 1244783795 /nfs/dbraw/zinc/78/37/95/1244783795.db2.gz CALFXXHCSJBBRT-VQIMIIECSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701277 1244783797 /nfs/dbraw/zinc/78/37/97/1244783797.db2.gz CALFXXHCSJBBRT-VQIMIIECSA-N 2 1 337.483 2.193 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053053856 1245780442 /nfs/dbraw/zinc/78/04/42/1245780442.db2.gz DLLYVIZLQGNQAE-ZWKOTPCHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053053856 1245780444 /nfs/dbraw/zinc/78/04/44/1245780444.db2.gz DLLYVIZLQGNQAE-ZWKOTPCHSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053091131 1245877841 /nfs/dbraw/zinc/87/78/41/1245877841.db2.gz LCXOQKLVBPURTM-RBUKOAKNSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053091131 1245877844 /nfs/dbraw/zinc/87/78/44/1245877844.db2.gz LCXOQKLVBPURTM-RBUKOAKNSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096418 1245893126 /nfs/dbraw/zinc/89/31/26/1245893126.db2.gz SXHKQGGSTQFBEC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001101546866 1245950433 /nfs/dbraw/zinc/95/04/33/1245950433.db2.gz VCGDXCFNCOCCLY-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001054041546 1247202540 /nfs/dbraw/zinc/20/25/40/1247202540.db2.gz NWFCICVWZJVKPH-UXHICEINSA-N 2 1 339.483 2.057 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001054041546 1247202552 /nfs/dbraw/zinc/20/25/52/1247202552.db2.gz NWFCICVWZJVKPH-UXHICEINSA-N 2 1 339.483 2.057 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054145169 1247517389 /nfs/dbraw/zinc/51/73/89/1247517389.db2.gz LOIIQFXOZGEDGF-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054145169 1247517395 /nfs/dbraw/zinc/51/73/95/1247517395.db2.gz LOIIQFXOZGEDGF-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054145169 1247517398 /nfs/dbraw/zinc/51/73/98/1247517398.db2.gz LOIIQFXOZGEDGF-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171598 1247597394 /nfs/dbraw/zinc/59/73/94/1247597394.db2.gz VAOGBCDSHZUKGM-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199223 1247694383 /nfs/dbraw/zinc/69/43/83/1247694383.db2.gz QIKBIERIXCCTQX-DOTOQJQBSA-N 2 1 327.900 2.394 20 30 EEEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001101009037 1259555669 /nfs/dbraw/zinc/55/56/69/1259555669.db2.gz FDHIFHKANKOMRZ-ABHNRTSZSA-N 2 1 339.524 2.162 20 30 EEEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001101009037 1259555671 /nfs/dbraw/zinc/55/56/71/1259555671.db2.gz FDHIFHKANKOMRZ-ABHNRTSZSA-N 2 1 339.524 2.162 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001101039195 1259603305 /nfs/dbraw/zinc/60/33/05/1259603305.db2.gz AACFYLHYIUPBEQ-UHFFFAOYSA-N 2 1 346.450 2.022 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001188139375 1279774676 /nfs/dbraw/zinc/77/46/76/1279774676.db2.gz MYIWAJOXFBEDGZ-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405174 1279882443 /nfs/dbraw/zinc/88/24/43/1279882443.db2.gz CJNUEJYHVUZFGX-DOTOQJQBSA-N 2 1 348.878 2.193 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405174 1279882457 /nfs/dbraw/zinc/88/24/57/1279882457.db2.gz CJNUEJYHVUZFGX-DOTOQJQBSA-N 2 1 348.878 2.193 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354546 1281945591 /nfs/dbraw/zinc/94/55/91/1281945591.db2.gz MQVUZKUUOSQAOV-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354546 1281945593 /nfs/dbraw/zinc/94/55/93/1281945593.db2.gz MQVUZKUUOSQAOV-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193400625 1282484751 /nfs/dbraw/zinc/48/47/51/1282484751.db2.gz ZQOYLFTYQBYZNQ-UYAOXDASSA-N 2 1 327.472 2.019 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001197907373 1284901139 /nfs/dbraw/zinc/90/11/39/1284901139.db2.gz CUVHNOOJGZWYPB-UHFFFAOYSA-N 2 1 342.487 2.324 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001197907373 1284901145 /nfs/dbraw/zinc/90/11/45/1284901145.db2.gz CUVHNOOJGZWYPB-UHFFFAOYSA-N 2 1 342.487 2.324 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001197907373 1284901151 /nfs/dbraw/zinc/90/11/51/1284901151.db2.gz CUVHNOOJGZWYPB-UHFFFAOYSA-N 2 1 342.487 2.324 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001203924538 1285477049 /nfs/dbraw/zinc/47/70/49/1285477049.db2.gz BSRHUCUKWSKIKX-UHFFFAOYSA-N 2 1 345.462 2.098 20 30 EEEDMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001490570031 1291466602 /nfs/dbraw/zinc/46/66/02/1291466602.db2.gz PBJIJWDSPPAEQH-IBGZPJMESA-N 2 1 345.462 2.100 20 30 EEEDMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001490570031 1291466608 /nfs/dbraw/zinc/46/66/08/1291466608.db2.gz PBJIJWDSPPAEQH-IBGZPJMESA-N 2 1 345.462 2.100 20 30 EEEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCCOC2)cc1C#N ZINC001276718790 1296759080 /nfs/dbraw/zinc/75/90/80/1296759080.db2.gz KXUIQABCPHICBJ-UXDRXVOSSA-N 2 1 342.487 2.408 20 30 EEEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001073904795 1297675334 /nfs/dbraw/zinc/67/53/34/1297675334.db2.gz NMPCYVJGIVBXFY-QGZVFWFLSA-N 2 1 349.475 2.128 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001099079120 1298862193 /nfs/dbraw/zinc/86/21/93/1298862193.db2.gz NOWHAMSXPYCBPE-FPOVZHCZSA-N 2 1 339.483 2.356 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015944 1300144680 /nfs/dbraw/zinc/14/46/80/1300144680.db2.gz WCDNARXUQDUQOF-BPLDGKMQSA-N 2 1 333.879 2.103 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]21 ZINC001223901134 1300322950 /nfs/dbraw/zinc/32/29/50/1300322950.db2.gz RQBXCKOCDGDMKC-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225591034 1301077194 /nfs/dbraw/zinc/07/71/94/1301077194.db2.gz LHWKXCINFOWSKS-LJQANCHMSA-N 2 1 327.472 2.141 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103086693 1302193224 /nfs/dbraw/zinc/19/32/24/1302193224.db2.gz NMHJCAHOZBUQGW-ZACQAIPSSA-N 2 1 330.476 2.411 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103086693 1302193232 /nfs/dbraw/zinc/19/32/32/1302193232.db2.gz NMHJCAHOZBUQGW-ZACQAIPSSA-N 2 1 330.476 2.411 20 30 EEEDMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230717187 1303412198 /nfs/dbraw/zinc/41/21/98/1303412198.db2.gz SYJNNURYVNYDBI-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230717187 1303412201 /nfs/dbraw/zinc/41/22/01/1303412201.db2.gz SYJNNURYVNYDBI-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230717187 1303412206 /nfs/dbraw/zinc/41/22/06/1303412206.db2.gz SYJNNURYVNYDBI-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP CC#CC[NH+](CCCNC(=O)C(C)(C)[N@@H+](C)CC)Cc1cccnc1 ZINC001230790467 1303460224 /nfs/dbraw/zinc/46/02/24/1303460224.db2.gz YIWWRACWBOTVKI-UHFFFAOYSA-N 2 1 344.503 2.144 20 30 EEEDMP CC#CC[NH+](CCCNC(=O)C(C)(C)[N@H+](C)CC)Cc1cccnc1 ZINC001230790467 1303460226 /nfs/dbraw/zinc/46/02/26/1303460226.db2.gz YIWWRACWBOTVKI-UHFFFAOYSA-N 2 1 344.503 2.144 20 30 EEEDMP CC#CC[N@@H+](CCCNC(=O)C(C)(C)[NH+](C)CC)Cc1cccnc1 ZINC001230790467 1303460229 /nfs/dbraw/zinc/46/02/29/1303460229.db2.gz YIWWRACWBOTVKI-UHFFFAOYSA-N 2 1 344.503 2.144 20 30 EEEDMP CC#CC[N@H+](CCCNC(=O)C(C)(C)[NH+](C)CC)Cc1cccnc1 ZINC001230790467 1303460230 /nfs/dbraw/zinc/46/02/30/1303460230.db2.gz YIWWRACWBOTVKI-UHFFFAOYSA-N 2 1 344.503 2.144 20 30 EEEDMP C=CC[NH+](CCCNC(=O)C[N@@H+]1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846463 1303497608 /nfs/dbraw/zinc/49/76/08/1303497608.db2.gz KNOZIEBRTFYXCS-KRWDZBQOSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)C[NH+]1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846463 1303497610 /nfs/dbraw/zinc/49/76/10/1303497610.db2.gz KNOZIEBRTFYXCS-KRWDZBQOSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)C[NH+]1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846463 1303497613 /nfs/dbraw/zinc/49/76/13/1303497613.db2.gz KNOZIEBRTFYXCS-KRWDZBQOSA-N 2 1 330.476 2.060 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949049 1304098901 /nfs/dbraw/zinc/09/89/01/1304098901.db2.gz LDMZLNNMZLMJMP-RDJZCZTQSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949049 1304098908 /nfs/dbraw/zinc/09/89/08/1304098908.db2.gz LDMZLNNMZLMJMP-RDJZCZTQSA-N 2 1 327.900 2.442 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448717 1309547316 /nfs/dbraw/zinc/54/73/16/1309547316.db2.gz DXIUSZMLEUAAMT-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCn2ccnc2)C1 ZINC001120458622 1309554618 /nfs/dbraw/zinc/55/46/18/1309554618.db2.gz HVMSAVQNLWHVGO-RBUKOAKNSA-N 2 1 342.487 2.390 20 30 EEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001121117711 1309920694 /nfs/dbraw/zinc/92/06/94/1309920694.db2.gz QTANJENPUCBOPT-VCMYPUNYSA-N 2 1 331.504 2.454 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246304291 1310276635 /nfs/dbraw/zinc/27/66/35/1310276635.db2.gz LVSXWBIAKWLFQX-SJORKVTESA-N 3 1 337.508 2.258 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001161030332 1320361081 /nfs/dbraw/zinc/36/10/81/1320361081.db2.gz YUPFYGLIGJNUBE-GOSISDBHSA-N 2 1 342.487 2.468 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001161030332 1320361085 /nfs/dbraw/zinc/36/10/85/1320361085.db2.gz YUPFYGLIGJNUBE-GOSISDBHSA-N 2 1 342.487 2.468 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C12CCC2 ZINC001203105340 1315058778 /nfs/dbraw/zinc/05/87/78/1315058778.db2.gz WZBRDRDAQKJKNY-IRXDYDNUSA-N 2 1 346.475 2.333 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001150333356 1316237489 /nfs/dbraw/zinc/23/74/89/1316237489.db2.gz MFHVRECODGJXSN-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150333356 1316237497 /nfs/dbraw/zinc/23/74/97/1316237497.db2.gz MFHVRECODGJXSN-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150333356 1316237501 /nfs/dbraw/zinc/23/75/01/1316237501.db2.gz MFHVRECODGJXSN-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034220 1316941875 /nfs/dbraw/zinc/94/18/75/1316941875.db2.gz WNYSEFHAQJMKGV-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154034220 1316941879 /nfs/dbraw/zinc/94/18/79/1316941879.db2.gz WNYSEFHAQJMKGV-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154034220 1316941880 /nfs/dbraw/zinc/94/18/80/1316941880.db2.gz WNYSEFHAQJMKGV-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903741 1317376145 /nfs/dbraw/zinc/37/61/45/1317376145.db2.gz ADBVLGYPNSFJHF-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155180923 1317488995 /nfs/dbraw/zinc/48/89/95/1317488995.db2.gz XHXDHNZFEQOGJJ-IAGOWNOFSA-N 2 1 327.513 2.136 20 30 EEEDMP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158036622 1318979452 /nfs/dbraw/zinc/97/94/52/1318979452.db2.gz DQIAAMHZYWNSHK-WOJBJXKFSA-N 2 1 339.483 2.008 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001258727121 1319327630 /nfs/dbraw/zinc/32/76/30/1319327630.db2.gz FMJNLNYIXMNMBH-FUHWJXTLSA-N 2 1 347.507 2.181 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001258727121 1319327641 /nfs/dbraw/zinc/32/76/41/1319327641.db2.gz FMJNLNYIXMNMBH-FUHWJXTLSA-N 2 1 347.507 2.181 20 30 EEEDMP N#CC12CCC(Nc3nc(N4CCC([NH3+])CC4)cc[nH+]3)(CC1)CC2 ZINC001158785303 1319437072 /nfs/dbraw/zinc/43/70/72/1319437072.db2.gz PXMKDACACNCULL-UHFFFAOYSA-N 2 1 326.448 2.433 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160359893 1320144112 /nfs/dbraw/zinc/14/41/12/1320144112.db2.gz FILVEKUPUNRJSI-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160359893 1320144117 /nfs/dbraw/zinc/14/41/17/1320144117.db2.gz FILVEKUPUNRJSI-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160359893 1320144120 /nfs/dbraw/zinc/14/41/20/1320144120.db2.gz FILVEKUPUNRJSI-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP N#Cc1c(NCC[NH+]2CCC(F)(F)CC2)ncc2c1CCC[NH2+]C2 ZINC001160747962 1320256661 /nfs/dbraw/zinc/25/66/61/1320256661.db2.gz OJRTVVNRYQFRJT-UHFFFAOYSA-N 2 1 335.402 2.132 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704688 1320594446 /nfs/dbraw/zinc/59/44/46/1320594446.db2.gz GBEXTMZBGVHYHP-RBUKOAKNSA-N 2 1 331.504 2.269 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161924809 1320678446 /nfs/dbraw/zinc/67/84/46/1320678446.db2.gz LXJKPWUJPATPMU-ROUUACIJSA-N 2 1 349.519 2.200 20 30 EEEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001162747186 1320948543 /nfs/dbraw/zinc/94/85/43/1320948543.db2.gz OOMNSPPTEGPGBK-IBGZPJMESA-N 2 1 329.488 2.318 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001162928529 1320990291 /nfs/dbraw/zinc/99/02/91/1320990291.db2.gz JZLMPQFHBFGJLV-IBGZPJMESA-N 2 1 341.499 2.155 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001162934657 1320991203 /nfs/dbraw/zinc/99/12/03/1320991203.db2.gz GXSDCOXKLCCSOJ-UHFFFAOYSA-N 2 1 341.499 2.012 20 30 EEEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164536538 1321411781 /nfs/dbraw/zinc/41/17/81/1321411781.db2.gz UNEACEGRCKFZNG-QGZVFWFLSA-N 2 1 327.513 2.162 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1 ZINC001165545848 1321543682 /nfs/dbraw/zinc/54/36/82/1321543682.db2.gz RQJNNSSFLADSAX-IBGZPJMESA-N 2 1 339.483 2.160 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1 ZINC001165545848 1321543687 /nfs/dbraw/zinc/54/36/87/1321543687.db2.gz RQJNNSSFLADSAX-IBGZPJMESA-N 2 1 339.483 2.160 20 30 EEEDMP C[C@@H]1C[N@H+](CCCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC001262562441 1322323326 /nfs/dbraw/zinc/32/33/26/1322323326.db2.gz AVPPLKLVPMFBCO-FCEWJHQRSA-N 2 1 331.460 2.071 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209232559 1324866831 /nfs/dbraw/zinc/86/68/31/1324866831.db2.gz KGXAAVZUJVRSKW-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209641281 1324996854 /nfs/dbraw/zinc/99/68/54/1324996854.db2.gz IBLHDTVVVQVNCU-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001491580175 1330172537 /nfs/dbraw/zinc/17/25/37/1330172537.db2.gz RIKDSNPFUHDDJV-HNNXBMFYSA-N 2 1 330.476 2.130 20 30 EEEDMP C#CC[C@]1(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CCC[NH2+]1 ZINC001574525023 1343679695 /nfs/dbraw/zinc/67/96/95/1343679695.db2.gz BSKOIBSCLKSKDC-HXUWFJFHSA-N 2 1 325.456 2.407 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001121232233 1371865133 /nfs/dbraw/zinc/86/51/33/1371865133.db2.gz BJZOLXWUWVLICH-HNSLBZJHSA-N 2 1 343.515 2.434 20 30 EEEDMP C=C(Br)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001377771752 1379510323 /nfs/dbraw/zinc/51/03/23/1379510323.db2.gz VBUDVZSAAVDDJO-AWEZNQCLSA-N 2 1 346.313 2.017 20 30 EEEDMP C=C(Br)C[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001377771752 1379510324 /nfs/dbraw/zinc/51/03/24/1379510324.db2.gz VBUDVZSAAVDDJO-AWEZNQCLSA-N 2 1 346.313 2.017 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001380286785 1381152185 /nfs/dbraw/zinc/15/21/85/1381152185.db2.gz PPMIPXSTKOZZDX-AWEZNQCLSA-N 2 1 346.313 2.208 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001398335386 1392192717 /nfs/dbraw/zinc/19/27/17/1392192717.db2.gz JBMNCVXSJNIJRD-OAHLLOKOSA-N 2 1 346.500 2.186 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001398335386 1392192721 /nfs/dbraw/zinc/19/27/21/1392192721.db2.gz JBMNCVXSJNIJRD-OAHLLOKOSA-N 2 1 346.500 2.186 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCCC(C)C)C2)CC1 ZINC001753450681 1406742314 /nfs/dbraw/zinc/74/23/14/1406742314.db2.gz VRCAHQLWJBKYSE-LJQANCHMSA-N 2 1 333.520 2.301 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001401595448 1397465842 /nfs/dbraw/zinc/46/58/42/1397465842.db2.gz FVZUBVVGZBJFHM-YOEHRIQHSA-N 2 1 348.516 2.336 20 30 EEEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1CC ZINC001754469796 1406914223 /nfs/dbraw/zinc/91/42/23/1406914223.db2.gz FZZVEPLPHVNBRS-IEBWSBKVSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001754865596 1406970102 /nfs/dbraw/zinc/97/01/02/1406970102.db2.gz OBFCIPRRIDWRGI-CEXWTWQISA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001754865596 1406970108 /nfs/dbraw/zinc/97/01/08/1406970108.db2.gz OBFCIPRRIDWRGI-CEXWTWQISA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001754865596 1406970113 /nfs/dbraw/zinc/97/01/13/1406970113.db2.gz OBFCIPRRIDWRGI-CEXWTWQISA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C)C2 ZINC001423962834 1400829785 /nfs/dbraw/zinc/82/97/85/1400829785.db2.gz QCUHKGOTLQOOQR-MUJYYYPQSA-N 2 1 336.867 2.303 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C)C2 ZINC001423962834 1400829795 /nfs/dbraw/zinc/82/97/95/1400829795.db2.gz QCUHKGOTLQOOQR-MUJYYYPQSA-N 2 1 336.867 2.303 20 30 EEEDMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C)[NH+](C)C ZINC001700578370 1405655450 /nfs/dbraw/zinc/65/54/50/1405655450.db2.gz NUJLLAFEBPWIBQ-RTBURBONSA-N 2 1 341.499 2.205 20 30 EEEDMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C)[NH+](C)C ZINC001700578370 1405655465 /nfs/dbraw/zinc/65/54/65/1405655465.db2.gz NUJLLAFEBPWIBQ-RTBURBONSA-N 2 1 341.499 2.205 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001755464739 1407499400 /nfs/dbraw/zinc/49/94/00/1407499400.db2.gz PDZFNKMHKCLENP-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755520500 1407578752 /nfs/dbraw/zinc/57/87/52/1407578752.db2.gz JVJZTOKWYAPIHM-SJORKVTESA-N 2 1 342.487 2.275 20 30 EEEDMP CC#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001755548193 1407622464 /nfs/dbraw/zinc/62/24/64/1407622464.db2.gz WGMCQMUPVJDXNZ-MOPGFXCFSA-N 2 1 327.472 2.189 20 30 EEEDMP CC(C)N(CC[N@H+](C)CC#Cc1ccccc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001755815375 1407867071 /nfs/dbraw/zinc/86/70/71/1407867071.db2.gz JFCLYIONSMBKLI-FQEVSTJZSA-N 2 1 341.499 2.159 20 30 EEEDMP CC(C)N(CC[N@@H+](C)CC#Cc1ccccc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001755815375 1407867075 /nfs/dbraw/zinc/86/70/75/1407867075.db2.gz JFCLYIONSMBKLI-FQEVSTJZSA-N 2 1 341.499 2.159 20 30 EEEDMP CC(C)N(CC[NH+](C)CC#Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001755815375 1407867080 /nfs/dbraw/zinc/86/70/80/1407867080.db2.gz JFCLYIONSMBKLI-FQEVSTJZSA-N 2 1 341.499 2.159 20 30 EEEDMP CC(C)N(CC[NH+](C)CC#Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001755815375 1407867085 /nfs/dbraw/zinc/86/70/85/1407867085.db2.gz JFCLYIONSMBKLI-FQEVSTJZSA-N 2 1 341.499 2.159 20 30 EEEDMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001755851325 1407903096 /nfs/dbraw/zinc/90/30/96/1407903096.db2.gz HTFCXYQFDWMJHN-KGLIPLIRSA-N 2 1 335.414 2.273 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)s1 ZINC001168030035 782398738 /nfs/dbraw/zinc/39/87/38/782398738.db2.gz LVGWMDZXBKGKMM-WMLDXEAASA-N 2 1 346.500 2.233 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104288283 757957895 /nfs/dbraw/zinc/95/78/95/757957895.db2.gz VGYPXWCEBDQDQD-QRVBRYPASA-N 2 1 333.520 2.062 20 30 EEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001104424422 760679668 /nfs/dbraw/zinc/67/96/68/760679668.db2.gz DAZZQLJTUWXSGJ-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4nccn43)C[C@@H]2C1 ZINC001087994004 782732742 /nfs/dbraw/zinc/73/27/42/782732742.db2.gz MWYIYAPWWQXBKX-OWCLPIDISA-N 2 1 348.878 2.293 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4nccn43)C[C@@H]2C1 ZINC001087994004 782732747 /nfs/dbraw/zinc/73/27/47/782732747.db2.gz MWYIYAPWWQXBKX-OWCLPIDISA-N 2 1 348.878 2.293 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089868541 782929718 /nfs/dbraw/zinc/92/97/18/782929718.db2.gz DCCHGZCDANIEIJ-HAGHYFMRSA-N 2 1 345.531 2.463 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089646841 773683782 /nfs/dbraw/zinc/68/37/82/773683782.db2.gz QDQXRYIYZAWNCE-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089646841 773683791 /nfs/dbraw/zinc/68/37/91/773683791.db2.gz QDQXRYIYZAWNCE-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089646841 773683794 /nfs/dbraw/zinc/68/37/94/773683794.db2.gz QDQXRYIYZAWNCE-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980169833 774000289 /nfs/dbraw/zinc/00/02/89/774000289.db2.gz JJAVZLZHEYLKIV-KSZLIROESA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997617159 790454628 /nfs/dbraw/zinc/45/46/28/790454628.db2.gz DXBWJAXFWLESSM-LPHOPBHVSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4nccn43)C2)C1 ZINC000981813581 778238849 /nfs/dbraw/zinc/23/88/49/778238849.db2.gz NFWGNRIMLPIEKC-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813581 778238851 /nfs/dbraw/zinc/23/88/51/778238851.db2.gz NFWGNRIMLPIEKC-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813581 778238854 /nfs/dbraw/zinc/23/88/54/778238854.db2.gz NFWGNRIMLPIEKC-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137915 778345230 /nfs/dbraw/zinc/34/52/30/778345230.db2.gz PHHZVQFKTAJLQG-IBGZPJMESA-N 2 1 327.472 2.008 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163751 779182886 /nfs/dbraw/zinc/18/28/86/779182886.db2.gz RUUMUNZVPYFWAS-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982294849 779595633 /nfs/dbraw/zinc/59/56/33/779595633.db2.gz IVDFAOXECDMLHK-SESVDKBCSA-N 2 1 345.531 2.158 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982294849 779595636 /nfs/dbraw/zinc/59/56/36/779595636.db2.gz IVDFAOXECDMLHK-SESVDKBCSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035193315 784082560 /nfs/dbraw/zinc/08/25/60/784082560.db2.gz YIMSSDLEPWHKCN-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035193315 784082563 /nfs/dbraw/zinc/08/25/63/784082563.db2.gz YIMSSDLEPWHKCN-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035193315 784082570 /nfs/dbraw/zinc/08/25/70/784082570.db2.gz YIMSSDLEPWHKCN-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035216047 784140402 /nfs/dbraw/zinc/14/04/02/784140402.db2.gz RFLIMNMHUQYYSU-LJQANCHMSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035216047 784140412 /nfs/dbraw/zinc/14/04/12/784140412.db2.gz RFLIMNMHUQYYSU-LJQANCHMSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035216047 784140419 /nfs/dbraw/zinc/14/04/19/784140419.db2.gz RFLIMNMHUQYYSU-LJQANCHMSA-N 2 1 345.531 2.446 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035485376 784567570 /nfs/dbraw/zinc/56/75/70/784567570.db2.gz QWGAYLYJVNOJSW-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035485376 784567571 /nfs/dbraw/zinc/56/75/71/784567571.db2.gz QWGAYLYJVNOJSW-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001035485376 784567578 /nfs/dbraw/zinc/56/75/78/784567578.db2.gz QWGAYLYJVNOJSW-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001035485376 784567586 /nfs/dbraw/zinc/56/75/86/784567586.db2.gz QWGAYLYJVNOJSW-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135979029 784904013 /nfs/dbraw/zinc/90/40/13/784904013.db2.gz AYMYYLWGHCWHPK-HZPDHXFCSA-N 2 1 330.476 2.273 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135977783 784929221 /nfs/dbraw/zinc/92/92/21/784929221.db2.gz ZAQXDYSIGKMOGQ-ROUUACIJSA-N 2 1 329.488 2.253 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035705518 784986969 /nfs/dbraw/zinc/98/69/69/784986969.db2.gz DYWGJIQIRTVVEB-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001036119934 785817375 /nfs/dbraw/zinc/81/73/75/785817375.db2.gz ZEHVSLXSTAQHKZ-CVEARBPZSA-N 2 1 330.476 2.165 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000995920361 785819522 /nfs/dbraw/zinc/81/95/22/785819522.db2.gz FIIOVBYXIOWDOC-RBUKOAKNSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000995920361 785819531 /nfs/dbraw/zinc/81/95/31/785819531.db2.gz FIIOVBYXIOWDOC-RBUKOAKNSA-N 2 1 339.483 2.111 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC000996675325 787102371 /nfs/dbraw/zinc/10/23/71/787102371.db2.gz XPSOPDFZOWTDGR-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC000996675323 787102709 /nfs/dbraw/zinc/10/27/09/787102709.db2.gz XPSOPDFZOWTDGR-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485375 787381715 /nfs/dbraw/zinc/38/17/15/787381715.db2.gz YGWODOOMHCOSEN-QWFCFKBJSA-N 2 1 331.504 2.408 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550441 787578395 /nfs/dbraw/zinc/57/83/95/787578395.db2.gz VQSGBDWYSHRCGK-AHRSYUTCSA-N 2 1 349.494 2.193 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC000946845516 788578208 /nfs/dbraw/zinc/57/82/08/788578208.db2.gz AUGVZXCOJLEPEV-KDURUIRLSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991502002 789143974 /nfs/dbraw/zinc/14/39/74/789143974.db2.gz JOPAFVDMNHBYPK-QUCCMNQESA-N 2 1 336.439 2.393 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1cncs1 ZINC001171308560 791855649 /nfs/dbraw/zinc/85/56/49/791855649.db2.gz VDCMLSSKNXYURM-RDJZCZTQSA-N 2 1 348.516 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1cncs1 ZINC001171308560 791855654 /nfs/dbraw/zinc/85/56/54/791855654.db2.gz VDCMLSSKNXYURM-RDJZCZTQSA-N 2 1 348.516 2.005 20 30 EEEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001107981755 792356895 /nfs/dbraw/zinc/35/68/95/792356895.db2.gz FLIDNRHRXSRJAS-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCCC(C)C)C3)CC1 ZINC001148827444 792702424 /nfs/dbraw/zinc/70/24/24/792702424.db2.gz DAESDHNOGOQULY-UHFFFAOYSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941642 793032026 /nfs/dbraw/zinc/03/20/26/793032026.db2.gz ZLRJHTCCQCMSJD-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927927 793052126 /nfs/dbraw/zinc/05/21/26/793052126.db2.gz QQSTVHSGNRBVRM-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000999393129 794375671 /nfs/dbraw/zinc/37/56/71/794375671.db2.gz WHFACJPVSYXBGU-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000999393129 794375677 /nfs/dbraw/zinc/37/56/77/794375677.db2.gz WHFACJPVSYXBGU-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC=C(C)C)CC3)CC1 ZINC000992504086 794432968 /nfs/dbraw/zinc/43/29/68/794432968.db2.gz GBUVPUYQPQMXKV-FPOVZHCZSA-N 2 1 343.515 2.411 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000999508374 794560579 /nfs/dbraw/zinc/56/05/79/794560579.db2.gz HMNTTWOVTRDQFL-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001093371824 795103837 /nfs/dbraw/zinc/10/38/37/795103837.db2.gz VNAGUDYEDKHFOM-OALUTQOASA-N 2 1 343.515 2.053 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001093377078 795112376 /nfs/dbraw/zinc/11/23/76/795112376.db2.gz FZODROCKNDIPEF-RTBURBONSA-N 2 1 345.531 2.299 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036836348 795348003 /nfs/dbraw/zinc/34/80/03/795348003.db2.gz PJDVNVGGIFZKDI-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334143 795741744 /nfs/dbraw/zinc/74/17/44/795741744.db2.gz DSXXMDATJPIKTG-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334143 795741746 /nfs/dbraw/zinc/74/17/46/795741746.db2.gz DSXXMDATJPIKTG-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334143 795741748 /nfs/dbraw/zinc/74/17/48/795741748.db2.gz DSXXMDATJPIKTG-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094529030 796362460 /nfs/dbraw/zinc/36/24/60/796362460.db2.gz FVHKIGTYJFVISX-QWFCFKBJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529030 796362462 /nfs/dbraw/zinc/36/24/62/796362462.db2.gz FVHKIGTYJFVISX-QWFCFKBJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529030 796362465 /nfs/dbraw/zinc/36/24/65/796362465.db2.gz FVHKIGTYJFVISX-QWFCFKBJSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902915 796441440 /nfs/dbraw/zinc/44/14/40/796441440.db2.gz SCARNJQWTCNXHU-PMACEKPBSA-N 2 1 339.483 2.308 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994118238 797300854 /nfs/dbraw/zinc/30/08/54/797300854.db2.gz VFKWLKQBNHZGME-MAUKXSAKSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994118238 797300860 /nfs/dbraw/zinc/30/08/60/797300860.db2.gz VFKWLKQBNHZGME-MAUKXSAKSA-N 2 1 339.443 2.426 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994201174 797401762 /nfs/dbraw/zinc/40/17/62/797401762.db2.gz IAQOWGAPSPMFJZ-QFBILLFUSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175273266 798064779 /nfs/dbraw/zinc/06/47/79/798064779.db2.gz QUHBIOCHNMSZGY-NVXWUHKLSA-N 2 1 330.476 2.042 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404321 798411203 /nfs/dbraw/zinc/41/12/03/798411203.db2.gz VVQMMSYTKCPTBS-ROUUACIJSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404321 798411205 /nfs/dbraw/zinc/41/12/05/798411205.db2.gz VVQMMSYTKCPTBS-ROUUACIJSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404321 798411207 /nfs/dbraw/zinc/41/12/07/798411207.db2.gz VVQMMSYTKCPTBS-ROUUACIJSA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564757 798498227 /nfs/dbraw/zinc/49/82/27/798498227.db2.gz RAARXCPEDJZAID-UONOGXRCSA-N 2 1 346.313 2.111 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001177157008 798780293 /nfs/dbraw/zinc/78/02/93/798780293.db2.gz PNVVAUSBEDGDJC-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001177157008 798780297 /nfs/dbraw/zinc/78/02/97/798780297.db2.gz PNVVAUSBEDGDJC-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001003483671 799734302 /nfs/dbraw/zinc/73/43/02/799734302.db2.gz SXZOCDYAQOPCKD-HNNXBMFYSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001003483671 799734306 /nfs/dbraw/zinc/73/43/06/799734306.db2.gz SXZOCDYAQOPCKD-HNNXBMFYSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001184702505 802138358 /nfs/dbraw/zinc/13/83/58/802138358.db2.gz ZUGHYIZWWQNVQH-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC[C@@H]2C1 ZINC000946624006 802294646 /nfs/dbraw/zinc/29/46/46/802294646.db2.gz YJIZAMJYEYPFKC-NSHGMRRFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)CC[C@@H]2C1 ZINC000946624006 802294651 /nfs/dbraw/zinc/29/46/51/802294651.db2.gz YJIZAMJYEYPFKC-NSHGMRRFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)CC[C@@H]2C1 ZINC000946624006 802294655 /nfs/dbraw/zinc/29/46/55/802294655.db2.gz YJIZAMJYEYPFKC-NSHGMRRFSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004570517 802391246 /nfs/dbraw/zinc/39/12/46/802391246.db2.gz UETUHXVDKKETCM-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946742827 802996105 /nfs/dbraw/zinc/99/61/05/802996105.db2.gz IYUKSDFYDMOEAM-CALCHBBNSA-N 2 1 343.471 2.149 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001108279922 803064415 /nfs/dbraw/zinc/06/44/15/803064415.db2.gz KFOMEWLICAWAFN-HXUWFJFHSA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001108279922 803064423 /nfs/dbraw/zinc/06/44/23/803064423.db2.gz KFOMEWLICAWAFN-HXUWFJFHSA-N 2 1 345.487 2.145 20 30 EEEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCOCC1)C2 ZINC001108778298 804497985 /nfs/dbraw/zinc/49/79/85/804497985.db2.gz MZJACLRGLUMXAW-OTWHNJEPSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086597389 809190837 /nfs/dbraw/zinc/19/08/37/809190837.db2.gz BUSVNCZPYZNJEM-RBUKOAKNSA-N 2 1 339.483 2.385 20 30 EEEDMP CCCCCCC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467789 809297303 /nfs/dbraw/zinc/29/73/03/809297303.db2.gz VGSAWUAGLJUIFY-UHFFFAOYSA-N 2 1 341.540 2.194 20 30 EEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114291366 810781425 /nfs/dbraw/zinc/78/14/25/810781425.db2.gz XAMPUFLITSTUNN-YRXWBPOGSA-N 2 1 333.520 2.345 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC1([NH+](C)C)CCCC1)C[C@H](C)O2 ZINC001131669840 813103024 /nfs/dbraw/zinc/10/30/24/813103024.db2.gz UZSZWIXSDCVHFF-FXAWDEMLSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@H](C)O2 ZINC001131700928 813131808 /nfs/dbraw/zinc/13/18/08/813131808.db2.gz LLMWVXRMBXVCEO-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@@H](C)O2 ZINC001131700930 813132260 /nfs/dbraw/zinc/13/22/60/813132260.db2.gz LLMWVXRMBXVCEO-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001440114821 1093176613 /nfs/dbraw/zinc/17/66/13/1093176613.db2.gz FMUZOXHSQBLVKK-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001441625745 1095503419 /nfs/dbraw/zinc/50/34/19/1095503419.db2.gz YLOLMYWCBWCZTC-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP C#C[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(C)(C)C ZINC000491474714 246040896 /nfs/dbraw/zinc/04/08/96/246040896.db2.gz PHZFCCRZRFEYFV-GOSISDBHSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000491544113 246066837 /nfs/dbraw/zinc/06/68/37/246066837.db2.gz KHDHIGBZRSPBDK-LJQANCHMSA-N 2 1 326.440 2.149 20 30 EEEDMP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)o1 ZINC000174358926 207013905 /nfs/dbraw/zinc/01/39/05/207013905.db2.gz HPAQIYSMFWDXSW-UHFFFAOYSA-N 2 1 325.412 2.398 20 30 EEEDMP CCC[N@@H+](CCOc1ccccc1C#N)CCN1CC[NH+](CC)CC1 ZINC000344156291 161203121 /nfs/dbraw/zinc/20/31/21/161203121.db2.gz KWUCBNUCAWNYFQ-UHFFFAOYSA-N 2 1 344.503 2.287 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000299505499 267654233 /nfs/dbraw/zinc/65/42/33/267654233.db2.gz BVLLGGVRAAJURK-GOSISDBHSA-N 2 1 337.427 2.191 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000299505499 267654236 /nfs/dbraw/zinc/65/42/36/267654236.db2.gz BVLLGGVRAAJURK-GOSISDBHSA-N 2 1 337.427 2.191 20 30 EEEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1C#N ZINC000136583122 463246875 /nfs/dbraw/zinc/24/68/75/463246875.db2.gz GHFPUZWNWSVLMA-MOPGFXCFSA-N 2 1 343.471 2.424 20 30 EEEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1C#N ZINC000136583188 463247191 /nfs/dbraw/zinc/24/71/91/463247191.db2.gz GHFPUZWNWSVLMA-RTBURBONSA-N 2 1 343.471 2.424 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1 ZINC000058330842 463579821 /nfs/dbraw/zinc/57/98/21/463579821.db2.gz BUBBLRNRIZQAEY-SFHVURJKSA-N 2 1 328.460 2.046 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000171722665 463913945 /nfs/dbraw/zinc/91/39/45/463913945.db2.gz MYQGUUIJXYTQCX-INIZCTEOSA-N 2 1 336.524 2.447 20 30 EEEDMP C=CCc1cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc(OC)c1O ZINC000290083285 464107110 /nfs/dbraw/zinc/10/71/10/464107110.db2.gz GOEOVQWEFSRXSC-UHFFFAOYSA-N 2 1 349.519 2.445 20 30 EEEDMP C[N@H+](CCCSCC#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188328597 464255444 /nfs/dbraw/zinc/25/54/44/464255444.db2.gz BQXJOGVFRNKXTR-GOSISDBHSA-N 2 1 333.501 2.202 20 30 EEEDMP C[N@@H+](CCCSCC#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188328597 464255448 /nfs/dbraw/zinc/25/54/48/464255448.db2.gz BQXJOGVFRNKXTR-GOSISDBHSA-N 2 1 333.501 2.202 20 30 EEEDMP C[NH+](CCCSCC#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188328597 464255452 /nfs/dbraw/zinc/25/54/52/464255452.db2.gz BQXJOGVFRNKXTR-GOSISDBHSA-N 2 1 333.501 2.202 20 30 EEEDMP C[NH+](CCCSCC#N)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188328597 464255455 /nfs/dbraw/zinc/25/54/55/464255455.db2.gz BQXJOGVFRNKXTR-GOSISDBHSA-N 2 1 333.501 2.202 20 30 EEEDMP C#CCNC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292895576 464375157 /nfs/dbraw/zinc/37/51/57/464375157.db2.gz VOXGJJMCQRYDNM-UXHICEINSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000292895576 464375164 /nfs/dbraw/zinc/37/51/64/464375164.db2.gz VOXGJJMCQRYDNM-UXHICEINSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000292895576 464375170 /nfs/dbraw/zinc/37/51/70/464375170.db2.gz VOXGJJMCQRYDNM-UXHICEINSA-N 2 1 339.483 2.112 20 30 EEEDMP CC1CCN(C(=[NH2+])NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190527970 464669379 /nfs/dbraw/zinc/66/93/79/464669379.db2.gz DJIKNOGFIJDABO-LJQANCHMSA-N 2 1 344.503 2.324 20 30 EEEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274829508 464756976 /nfs/dbraw/zinc/75/69/76/464756976.db2.gz LRDSQYPDTPBOIH-IEBWSBKVSA-N 2 1 342.487 2.249 20 30 EEEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274829508 464756979 /nfs/dbraw/zinc/75/69/79/464756979.db2.gz LRDSQYPDTPBOIH-IEBWSBKVSA-N 2 1 342.487 2.249 20 30 EEEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)CC1 ZINC000266238502 464769327 /nfs/dbraw/zinc/76/93/27/464769327.db2.gz WKQMIYWZWGKJBX-UHFFFAOYSA-N 2 1 342.487 2.494 20 30 EEEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000364369478 466697751 /nfs/dbraw/zinc/69/77/51/466697751.db2.gz CXOJRUPTAPYRGT-QGZVFWFLSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000411178074 466778019 /nfs/dbraw/zinc/77/80/19/466778019.db2.gz KKIGNQOLLXHBSV-QGZVFWFLSA-N 2 1 345.487 2.236 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527378092 467660796 /nfs/dbraw/zinc/66/07/96/467660796.db2.gz KHTSXSMYZFLDIK-SJLPKXTDSA-N 2 1 340.471 2.049 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527378092 467660799 /nfs/dbraw/zinc/66/07/99/467660799.db2.gz KHTSXSMYZFLDIK-SJLPKXTDSA-N 2 1 340.471 2.049 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000458311454 467807416 /nfs/dbraw/zinc/80/74/16/467807416.db2.gz AIMSLVHRXUDDAO-INIZCTEOSA-N 2 1 334.508 2.153 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000488846368 468108606 /nfs/dbraw/zinc/10/86/06/468108606.db2.gz STKLYJYRDFTCKD-JENIJYKNSA-N 2 1 348.535 2.399 20 30 EEEDMP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000518817286 468128167 /nfs/dbraw/zinc/12/81/67/468128167.db2.gz NCSUJMSPNPPCOY-GOSISDBHSA-N 2 1 340.471 2.003 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000571073822 468736763 /nfs/dbraw/zinc/73/67/63/468736763.db2.gz DFVNIAJRPLMTOK-MRXNPFEDSA-N 2 1 329.444 2.148 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCc3ccc(C#N)cc3)C2)CC1 ZINC000595337843 468816829 /nfs/dbraw/zinc/81/68/29/468816829.db2.gz LTIUKOCEFTWHIL-FQEVSTJZSA-N 2 1 326.488 2.201 20 30 EEEDMP C[C@H](CCC#N)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000602515640 469346783 /nfs/dbraw/zinc/34/67/83/469346783.db2.gz QYKFPNLJUOGWQQ-MRXNPFEDSA-N 2 1 328.460 2.104 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000609133484 469894760 /nfs/dbraw/zinc/89/47/60/469894760.db2.gz MYEQHIZXLORUEI-LPHOPBHVSA-N 2 1 336.524 2.482 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000750848212 577743677 /nfs/dbraw/zinc/74/36/77/577743677.db2.gz PUEJMBKBUIGRLM-IHPCNDPISA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000750848212 577743678 /nfs/dbraw/zinc/74/36/78/577743678.db2.gz PUEJMBKBUIGRLM-IHPCNDPISA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000750848212 577743679 /nfs/dbraw/zinc/74/36/79/577743679.db2.gz PUEJMBKBUIGRLM-IHPCNDPISA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000750848212 577743680 /nfs/dbraw/zinc/74/36/80/577743680.db2.gz PUEJMBKBUIGRLM-IHPCNDPISA-N 2 1 339.483 2.253 20 30 EEEDMP C=C(Cl)CN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319243 675787930 /nfs/dbraw/zinc/78/79/30/675787930.db2.gz SEACAOGCMVBXCJ-GJZGRUSLSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000891921003 677703315 /nfs/dbraw/zinc/70/33/15/677703315.db2.gz HEPRUKYEWGQPNG-IEBWSBKVSA-N 2 1 348.535 2.271 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023130118 679136731 /nfs/dbraw/zinc/13/67/31/679136731.db2.gz ATKPOWBROWUSBQ-HZSPNIEDSA-N 2 1 344.297 2.006 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000972582543 679350241 /nfs/dbraw/zinc/35/02/41/679350241.db2.gz MBFTWHBMRKWEBE-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000972582543 679350242 /nfs/dbraw/zinc/35/02/42/679350242.db2.gz MBFTWHBMRKWEBE-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000972582543 679350243 /nfs/dbraw/zinc/35/02/43/679350243.db2.gz MBFTWHBMRKWEBE-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000972582543 679350245 /nfs/dbraw/zinc/35/02/45/679350245.db2.gz MBFTWHBMRKWEBE-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000972582545 679350262 /nfs/dbraw/zinc/35/02/62/679350262.db2.gz MBFTWHBMRKWEBE-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000972582545 679350263 /nfs/dbraw/zinc/35/02/63/679350263.db2.gz MBFTWHBMRKWEBE-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000972582545 679350264 /nfs/dbraw/zinc/35/02/64/679350264.db2.gz MBFTWHBMRKWEBE-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000972582545 679350265 /nfs/dbraw/zinc/35/02/65/679350265.db2.gz MBFTWHBMRKWEBE-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000972583496 679354085 /nfs/dbraw/zinc/35/40/85/679354085.db2.gz WBTGQQHYEHGAAJ-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000972583496 679354088 /nfs/dbraw/zinc/35/40/88/679354088.db2.gz WBTGQQHYEHGAAJ-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000972583496 679354089 /nfs/dbraw/zinc/35/40/89/679354089.db2.gz WBTGQQHYEHGAAJ-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556018 679376457 /nfs/dbraw/zinc/37/64/57/679376457.db2.gz FUWIZZTVGIGIPY-IRXDYDNUSA-N 2 1 330.476 2.158 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556018 679376459 /nfs/dbraw/zinc/37/64/59/679376459.db2.gz FUWIZZTVGIGIPY-IRXDYDNUSA-N 2 1 330.476 2.158 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001023698026 679487799 /nfs/dbraw/zinc/48/77/99/679487799.db2.gz NDVLDMDGQXKNSI-MRXNPFEDSA-N 2 1 339.443 2.285 20 30 EEEDMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001028635863 681451850 /nfs/dbraw/zinc/45/18/50/681451850.db2.gz HPGQAWHYISBUHL-YOEHRIQHSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024987115 681673335 /nfs/dbraw/zinc/67/33/35/681673335.db2.gz CBEZLANXQCFDLW-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024987115 681673337 /nfs/dbraw/zinc/67/33/37/681673337.db2.gz CBEZLANXQCFDLW-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028542069 681865834 /nfs/dbraw/zinc/86/58/34/681865834.db2.gz KWCGINFOYODDOH-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028542069 681865839 /nfs/dbraw/zinc/86/58/39/681865839.db2.gz KWCGINFOYODDOH-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028542069 681865845 /nfs/dbraw/zinc/86/58/45/681865845.db2.gz KWCGINFOYODDOH-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP CC[NH+]=C(NCC1(C)CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261747348 681934963 /nfs/dbraw/zinc/93/49/63/681934963.db2.gz NCGBJSHZRVCNGG-KRWDZBQOSA-N 2 1 336.524 2.186 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817754 682282114 /nfs/dbraw/zinc/28/21/14/682282114.db2.gz GGHOWAOOOPTVTO-SXLOBPIMSA-N 2 1 341.499 2.346 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817754 682282119 /nfs/dbraw/zinc/28/21/19/682282119.db2.gz GGHOWAOOOPTVTO-SXLOBPIMSA-N 2 1 341.499 2.346 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817754 682282123 /nfs/dbraw/zinc/28/21/23/682282123.db2.gz GGHOWAOOOPTVTO-SXLOBPIMSA-N 2 1 341.499 2.346 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273404 682379826 /nfs/dbraw/zinc/37/98/26/682379826.db2.gz DYUPRGZHADYHDD-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001025279437 682388264 /nfs/dbraw/zinc/38/82/64/682388264.db2.gz BQLHADYJQVNING-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)Cc3cn4c(n3)CCCC4)CCC[C@H]12 ZINC000990814806 693908635 /nfs/dbraw/zinc/90/86/35/693908635.db2.gz JGERTMHKRKXYTG-QFBILLFUSA-N 2 1 328.460 2.061 20 30 EEEDMP CC[C@H](CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303906849 686943531 /nfs/dbraw/zinc/94/35/31/686943531.db2.gz WLZVUNSNAPANLW-QGZVFWFLSA-N 2 1 332.517 2.187 20 30 EEEDMP CC[C@H](CNC(=[NH2+])N1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000303906849 686943533 /nfs/dbraw/zinc/94/35/33/686943533.db2.gz WLZVUNSNAPANLW-QGZVFWFLSA-N 2 1 332.517 2.187 20 30 EEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000985653262 687397114 /nfs/dbraw/zinc/39/71/14/687397114.db2.gz KGDLNXVJYBDQQA-GOSISDBHSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000985653262 687397120 /nfs/dbraw/zinc/39/71/20/687397120.db2.gz KGDLNXVJYBDQQA-GOSISDBHSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000985653262 687397125 /nfs/dbraw/zinc/39/71/25/687397125.db2.gz KGDLNXVJYBDQQA-GOSISDBHSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240286 692049848 /nfs/dbraw/zinc/04/98/48/692049848.db2.gz DXJVNWMVFNWNMS-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240286 692049852 /nfs/dbraw/zinc/04/98/52/692049852.db2.gz DXJVNWMVFNWNMS-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240286 692049856 /nfs/dbraw/zinc/04/98/56/692049856.db2.gz DXJVNWMVFNWNMS-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978271427 693437599 /nfs/dbraw/zinc/43/75/99/693437599.db2.gz MIPTVTVBFKUFBF-AKHDSKFASA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978271427 693437605 /nfs/dbraw/zinc/43/76/05/693437605.db2.gz MIPTVTVBFKUFBF-AKHDSKFASA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978271427 693437606 /nfs/dbraw/zinc/43/76/06/693437606.db2.gz MIPTVTVBFKUFBF-AKHDSKFASA-N 2 1 331.504 2.264 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001105447643 1187206960 /nfs/dbraw/zinc/20/69/60/1187206960.db2.gz LDQARXUMZMAMDK-PUZFROQSSA-N 2 1 329.488 2.319 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365491 1194480052 /nfs/dbraw/zinc/48/00/52/1194480052.db2.gz NRFMBEVPLBQHDC-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365491 1194480046 /nfs/dbraw/zinc/48/00/46/1194480046.db2.gz NRFMBEVPLBQHDC-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365491 1194480048 /nfs/dbraw/zinc/48/00/48/1194480048.db2.gz NRFMBEVPLBQHDC-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365491 1194480050 /nfs/dbraw/zinc/48/00/50/1194480050.db2.gz NRFMBEVPLBQHDC-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC(CC)CC)C2)CC1 ZINC001033683163 1195064054 /nfs/dbraw/zinc/06/40/54/1195064054.db2.gz FYFQIBBINVZCAP-IBGZPJMESA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033951221 1195552635 /nfs/dbraw/zinc/55/26/35/1195552635.db2.gz CNGVLKXVHHQYBS-FQEVSTJZSA-N 2 1 341.499 2.350 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001034047083 1195698639 /nfs/dbraw/zinc/69/86/39/1195698639.db2.gz YHABYDAHSQZONF-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398956 1196190114 /nfs/dbraw/zinc/19/01/14/1196190114.db2.gz PRVZYKYONIODRD-QFBILLFUSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398956 1196190117 /nfs/dbraw/zinc/19/01/17/1196190117.db2.gz PRVZYKYONIODRD-QFBILLFUSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398956 1196190118 /nfs/dbraw/zinc/19/01/18/1196190118.db2.gz PRVZYKYONIODRD-QFBILLFUSA-N 2 1 337.483 2.193 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH+]ccc1N(C)C ZINC001018178746 1224432000 /nfs/dbraw/zinc/43/20/00/1224432000.db2.gz UCWUICLBCDFZOJ-IYBDPMFKSA-N 2 1 328.460 2.403 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH+]ccc1N(C)C ZINC001018178746 1224432005 /nfs/dbraw/zinc/43/20/05/1224432005.db2.gz UCWUICLBCDFZOJ-IYBDPMFKSA-N 2 1 328.460 2.403 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132125593 1199331450 /nfs/dbraw/zinc/33/14/50/1199331450.db2.gz XDUXSMOWTAFVSI-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132142163 1199375191 /nfs/dbraw/zinc/37/51/91/1199375191.db2.gz YVUGPWNEGLECNI-IAGOWNOFSA-N 2 1 330.476 2.453 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001132269138 1199508759 /nfs/dbraw/zinc/50/87/59/1199508759.db2.gz FVUXIDFAXCRQRI-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](C[C@H]2CCC=CO2)CC3)cc1C#N ZINC001274896691 1205203457 /nfs/dbraw/zinc/20/34/57/1205203457.db2.gz BWINLDSDSPPJSB-LJQANCHMSA-N 2 1 340.471 2.487 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947536007 1208610497 /nfs/dbraw/zinc/61/04/97/1208610497.db2.gz BZPXCAQWULTTSB-HOTGVXAUSA-N 2 1 339.443 2.426 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947802369 1208723365 /nfs/dbraw/zinc/72/33/65/1208723365.db2.gz YJFCGBZDBLHTNR-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@H](C)C2)CC1 ZINC000948069987 1208853934 /nfs/dbraw/zinc/85/39/34/1208853934.db2.gz LYWHKQXFUUDGCR-MJGOQNOKSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948378270 1209101970 /nfs/dbraw/zinc/10/19/70/1209101970.db2.gz SQFDRHWLBRIIPT-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H](CC)c2ccccc2)CC1 ZINC000948825407 1209403807 /nfs/dbraw/zinc/40/38/07/1209403807.db2.gz DIOJWNIYUVOSBH-PMACEKPBSA-N 2 1 339.483 2.380 20 30 EEEDMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000948954936 1209472746 /nfs/dbraw/zinc/47/27/46/1209472746.db2.gz PTBNEFWVDNNPJW-LJQANCHMSA-N 2 1 327.472 2.230 20 30 EEEDMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000948954936 1209472747 /nfs/dbraw/zinc/47/27/47/1209472747.db2.gz PTBNEFWVDNNPJW-LJQANCHMSA-N 2 1 327.472 2.230 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)C[C@@H](C)n3ccnc3)CC2)C1 ZINC000949482756 1209708407 /nfs/dbraw/zinc/70/84/07/1209708407.db2.gz CYIMMDSUMLTOHP-QGZVFWFLSA-N 2 1 346.475 2.104 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001015608549 1225459512 /nfs/dbraw/zinc/45/95/12/1225459512.db2.gz QPZGCLVDYJQOKY-KKUMJFAQSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001015608549 1225459517 /nfs/dbraw/zinc/45/95/17/1225459517.db2.gz QPZGCLVDYJQOKY-KKUMJFAQSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001015608549 1225459525 /nfs/dbraw/zinc/45/95/25/1225459525.db2.gz QPZGCLVDYJQOKY-KKUMJFAQSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001015608549 1225459530 /nfs/dbraw/zinc/45/95/30/1225459530.db2.gz QPZGCLVDYJQOKY-KKUMJFAQSA-N 2 1 346.500 2.041 20 30 EEEDMP CCCCNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000303879127 1213917668 /nfs/dbraw/zinc/91/76/68/1213917668.db2.gz GMDGPENKWOFNBI-SFHVURJKSA-N 2 1 331.508 2.070 20 30 EEEDMP CCCCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000303879127 1213917673 /nfs/dbraw/zinc/91/76/73/1213917673.db2.gz GMDGPENKWOFNBI-SFHVURJKSA-N 2 1 331.508 2.070 20 30 EEEDMP CCCCNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000303879127 1213917680 /nfs/dbraw/zinc/91/76/80/1213917680.db2.gz GMDGPENKWOFNBI-SFHVURJKSA-N 2 1 331.508 2.070 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)CC1 ZINC000957573292 1215222470 /nfs/dbraw/zinc/22/24/70/1215222470.db2.gz QBSRLJGHIAFGTG-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC000957645030 1215292779 /nfs/dbraw/zinc/29/27/79/1215292779.db2.gz SISQNYHFKZERHR-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000960274910 1216464914 /nfs/dbraw/zinc/46/49/14/1216464914.db2.gz GBQOKKMZIYYEDA-CEXWTWQISA-N 2 1 327.472 2.419 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961289579 1217130537 /nfs/dbraw/zinc/13/05/37/1217130537.db2.gz BWENKXABGRAQPC-RBUKOAKNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373617 1217163147 /nfs/dbraw/zinc/16/31/47/1217163147.db2.gz IGPAJGARYSCTIF-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961377770 1217165297 /nfs/dbraw/zinc/16/52/97/1217165297.db2.gz ZOQXXDJZGJKJBZ-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961377770 1217165299 /nfs/dbraw/zinc/16/52/99/1217165299.db2.gz ZOQXXDJZGJKJBZ-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961377770 1217165302 /nfs/dbraw/zinc/16/53/02/1217165302.db2.gz ZOQXXDJZGJKJBZ-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327542 1217523058 /nfs/dbraw/zinc/52/30/58/1217523058.db2.gz DFCRTPXAZWONBE-HKUYNNGSSA-N 2 1 336.439 2.284 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384105 1217581093 /nfs/dbraw/zinc/58/10/93/1217581093.db2.gz QIBBAAJMLJJAML-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016625929 1226700171 /nfs/dbraw/zinc/70/01/71/1226700171.db2.gz QAEHULCPEDAWRR-PKOBYXMFSA-N 2 1 343.515 2.245 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001017949339 1227910947 /nfs/dbraw/zinc/91/09/47/1227910947.db2.gz KZQFEPZUTFLGPQ-ZACQAIPSSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001017949339 1227910950 /nfs/dbraw/zinc/91/09/50/1227910950.db2.gz KZQFEPZUTFLGPQ-ZACQAIPSSA-N 2 1 328.460 2.005 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001018985371 1228606647 /nfs/dbraw/zinc/60/66/47/1228606647.db2.gz OZYXAKXXNZSZLO-BXWFABGCSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001018985371 1228606652 /nfs/dbraw/zinc/60/66/52/1228606652.db2.gz OZYXAKXXNZSZLO-BXWFABGCSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137775 1230351192 /nfs/dbraw/zinc/35/11/92/1230351192.db2.gz LBHXBNCMSIONMP-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137775 1230351196 /nfs/dbraw/zinc/35/11/96/1230351196.db2.gz LBHXBNCMSIONMP-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137775 1230351202 /nfs/dbraw/zinc/35/12/02/1230351202.db2.gz LBHXBNCMSIONMP-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039242481 1230477439 /nfs/dbraw/zinc/47/74/39/1230477439.db2.gz OXBVGBFUHJTOKY-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039242481 1230477442 /nfs/dbraw/zinc/47/74/42/1230477442.db2.gz OXBVGBFUHJTOKY-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040257207 1231136532 /nfs/dbraw/zinc/13/65/32/1231136532.db2.gz 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CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042366965 1232048849 /nfs/dbraw/zinc/04/88/49/1232048849.db2.gz YPXKBFQOMXOUMO-QUCCMNQESA-N 2 1 339.483 2.308 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001045199862 1233576084 /nfs/dbraw/zinc/57/60/84/1233576084.db2.gz LJCJGVGSZFWWPA-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC001045385461 1233711401 /nfs/dbraw/zinc/71/14/01/1233711401.db2.gz PRTKBOMDXFSQLJ-IBGZPJMESA-N 2 1 339.483 2.103 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)C)CC1 ZINC001045895285 1234127183 /nfs/dbraw/zinc/12/71/83/1234127183.db2.gz DVJQMRDNSYVBMT-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046937291 1235327834 /nfs/dbraw/zinc/32/78/34/1235327834.db2.gz HRAYQICZMRRYBK-CABCVRRESA-N 2 1 329.435 2.119 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 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HYSMRLXVMPCDPQ-LJQANCHMSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](C)CC)CC2)CC1 ZINC001052954725 1245546955 /nfs/dbraw/zinc/54/69/55/1245546955.db2.gz QWCKIVOQBYTYHO-HKUYNNGSSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(=C)C)CC2)CC1 ZINC001052959259 1245557703 /nfs/dbraw/zinc/55/77/03/1245557703.db2.gz TTXBIDVRJZKRDM-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054213 1245782713 /nfs/dbraw/zinc/78/27/13/1245782713.db2.gz JEFSVSDYWCQCQR-MOPGFXCFSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054213 1245782722 /nfs/dbraw/zinc/78/27/22/1245782722.db2.gz JEFSVSDYWCQCQR-MOPGFXCFSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC=C)CC1 ZINC001101548655 1245952316 /nfs/dbraw/zinc/95/23/16/1245952316.db2.gz BCANZIYIVYXSBA-SFHVURJKSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC=C)CC1 ZINC001101548655 1245952320 /nfs/dbraw/zinc/95/23/20/1245952320.db2.gz BCANZIYIVYXSBA-SFHVURJKSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001101548959 1245953963 /nfs/dbraw/zinc/95/39/63/1245953963.db2.gz SKAFACSGIWDROK-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052395557 1247181037 /nfs/dbraw/zinc/18/10/37/1247181037.db2.gz ULZNETWPYMGZSF-OWCLPIDISA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395557 1247181042 /nfs/dbraw/zinc/18/10/42/1247181042.db2.gz ULZNETWPYMGZSF-OWCLPIDISA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395557 1247181049 /nfs/dbraw/zinc/18/10/49/1247181049.db2.gz ULZNETWPYMGZSF-OWCLPIDISA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052650982 1247773429 /nfs/dbraw/zinc/77/34/29/1247773429.db2.gz BZTAAMGFWWUTTI-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052650982 1247773437 /nfs/dbraw/zinc/77/34/37/1247773437.db2.gz BZTAAMGFWWUTTI-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052650982 1247773451 /nfs/dbraw/zinc/77/34/51/1247773451.db2.gz BZTAAMGFWWUTTI-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052654077 1247782887 /nfs/dbraw/zinc/78/28/87/1247782887.db2.gz UNTJZUNDZPFCKE-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052654077 1247782891 /nfs/dbraw/zinc/78/28/91/1247782891.db2.gz UNTJZUNDZPFCKE-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052654077 1247782896 /nfs/dbraw/zinc/78/28/96/1247782896.db2.gz UNTJZUNDZPFCKE-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052654077 1247782900 /nfs/dbraw/zinc/78/29/00/1247782900.db2.gz UNTJZUNDZPFCKE-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054239725 1247833095 /nfs/dbraw/zinc/83/30/95/1247833095.db2.gz KQTMARIRGOTCHZ-NVXWUHKLSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054239725 1247833103 /nfs/dbraw/zinc/83/31/03/1247833103.db2.gz KQTMARIRGOTCHZ-NVXWUHKLSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054239725 1247833114 /nfs/dbraw/zinc/83/31/14/1247833114.db2.gz KQTMARIRGOTCHZ-NVXWUHKLSA-N 2 1 325.884 2.005 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071676517 1254496523 /nfs/dbraw/zinc/49/65/23/1254496523.db2.gz MNHIQVMYOLEEBI-JKSUJKDBSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001073118316 1255701272 /nfs/dbraw/zinc/70/12/72/1255701272.db2.gz OENMMFCBHFPPHM-LJQANCHMSA-N 2 1 327.472 2.184 20 30 EEEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100858313 1259354921 /nfs/dbraw/zinc/35/49/21/1259354921.db2.gz PGUKWVCVSWCADU-NKELODKYSA-N 2 1 327.472 2.187 20 30 EEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001201037551 1287266368 /nfs/dbraw/zinc/26/63/68/1287266368.db2.gz LQUKNJGVGXWKPM-LJQANCHMSA-N 2 1 349.519 2.177 20 30 EEEDMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001134723851 1278006783 /nfs/dbraw/zinc/00/67/83/1278006783.db2.gz ZBDZDCDEWJTXHG-UHFFFAOYSA-N 2 1 345.472 2.236 20 30 EEEDMP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191069674 1281198160 /nfs/dbraw/zinc/19/81/60/1281198160.db2.gz JRQMBVPFUWKAEN-CABCVRRESA-N 2 1 334.464 2.237 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191069674 1281198164 /nfs/dbraw/zinc/19/81/64/1281198164.db2.gz JRQMBVPFUWKAEN-CABCVRRESA-N 2 1 334.464 2.237 20 30 EEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445272 1281987550 /nfs/dbraw/zinc/98/75/50/1281987550.db2.gz LESHJNMJMYASDS-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445272 1281987552 /nfs/dbraw/zinc/98/75/52/1281987552.db2.gz LESHJNMJMYASDS-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445272 1281987555 /nfs/dbraw/zinc/98/75/55/1281987555.db2.gz LESHJNMJMYASDS-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCCCC)C2)CC1 ZINC001194246896 1282955611 /nfs/dbraw/zinc/95/56/11/1282955611.db2.gz SMMYKQYEHPJRIC-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196221994 1283956411 /nfs/dbraw/zinc/95/64/11/1283956411.db2.gz DLVIOWIMYKJITD-IAGOWNOFSA-N 2 1 341.540 2.096 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196221994 1283956418 /nfs/dbraw/zinc/95/64/18/1283956418.db2.gz DLVIOWIMYKJITD-IAGOWNOFSA-N 2 1 341.540 2.096 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196221994 1283956427 /nfs/dbraw/zinc/95/64/27/1283956427.db2.gz DLVIOWIMYKJITD-IAGOWNOFSA-N 2 1 341.540 2.096 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000861838112 1295559470 /nfs/dbraw/zinc/55/94/70/1295559470.db2.gz QZRBHKUNEIBACN-SFHVURJKSA-N 2 1 347.890 2.376 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000861838112 1295559490 /nfs/dbraw/zinc/55/94/90/1295559490.db2.gz QZRBHKUNEIBACN-SFHVURJKSA-N 2 1 347.890 2.376 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000861838112 1295559504 /nfs/dbraw/zinc/55/95/04/1295559504.db2.gz QZRBHKUNEIBACN-SFHVURJKSA-N 2 1 347.890 2.376 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000861838112 1295559518 /nfs/dbraw/zinc/55/95/18/1295559518.db2.gz QZRBHKUNEIBACN-SFHVURJKSA-N 2 1 347.890 2.376 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H](OC)C1 ZINC001213713402 1296144394 /nfs/dbraw/zinc/14/43/94/1296144394.db2.gz QDJVLQFVPADCIV-GUDVDZBRSA-N 2 1 345.487 2.071 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H](OC)C1 ZINC001213713402 1296144399 /nfs/dbraw/zinc/14/43/99/1296144399.db2.gz QDJVLQFVPADCIV-GUDVDZBRSA-N 2 1 345.487 2.071 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H](OC)C1 ZINC001213713402 1296144407 /nfs/dbraw/zinc/14/44/07/1296144407.db2.gz QDJVLQFVPADCIV-GUDVDZBRSA-N 2 1 345.487 2.071 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H](OC)C1 ZINC001213713402 1296144417 /nfs/dbraw/zinc/14/44/17/1296144417.db2.gz QDJVLQFVPADCIV-GUDVDZBRSA-N 2 1 345.487 2.071 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCC(C)(C)C)C3)CC1 ZINC001073456064 1297085214 /nfs/dbraw/zinc/08/52/14/1297085214.db2.gz SUCBBCMYHOTACZ-UHFFFAOYSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001073742933 1297473977 /nfs/dbraw/zinc/47/39/77/1297473977.db2.gz JFDMIKCSFFCNGE-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001073742933 1297473982 /nfs/dbraw/zinc/47/39/82/1297473982.db2.gz JFDMIKCSFFCNGE-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001073742933 1297473990 /nfs/dbraw/zinc/47/39/90/1297473990.db2.gz JFDMIKCSFFCNGE-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467395 1298935305 /nfs/dbraw/zinc/93/53/05/1298935305.db2.gz HUTUWBZOLZIQPC-YRXWBPOGSA-N 2 1 331.504 2.242 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467395 1298935308 /nfs/dbraw/zinc/93/53/08/1298935308.db2.gz HUTUWBZOLZIQPC-YRXWBPOGSA-N 2 1 331.504 2.242 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099308064 1299024458 /nfs/dbraw/zinc/02/44/58/1299024458.db2.gz QULDTAIAIIMDTK-UTUOFQBUSA-N 2 1 341.805 2.058 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3ccnc3)C[C@@H]21 ZINC001222936763 1299925989 /nfs/dbraw/zinc/92/59/89/1299925989.db2.gz OSTQZMJGYXDJDX-QYZOEREBSA-N 2 1 342.487 2.416 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223200843 1300012631 /nfs/dbraw/zinc/01/26/31/1300012631.db2.gz TWVGHGVIYIYEKN-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102524460 1301181569 /nfs/dbraw/zinc/18/15/69/1301181569.db2.gz GINCWTUVZRETOX-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102524460 1301181577 /nfs/dbraw/zinc/18/15/77/1301181577.db2.gz GINCWTUVZRETOX-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102524460 1301181582 /nfs/dbraw/zinc/18/15/82/1301181582.db2.gz GINCWTUVZRETOX-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086406 1302193289 /nfs/dbraw/zinc/19/32/89/1302193289.db2.gz AMKHPKCLQPXHMZ-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086406 1302193297 /nfs/dbraw/zinc/19/32/97/1302193297.db2.gz AMKHPKCLQPXHMZ-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001103086406 1302193302 /nfs/dbraw/zinc/19/33/02/1302193302.db2.gz AMKHPKCLQPXHMZ-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001103168465 1302374236 /nfs/dbraw/zinc/37/42/36/1302374236.db2.gz JWLXWCOLPWGSKW-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001103168465 1302374247 /nfs/dbraw/zinc/37/42/47/1302374247.db2.gz JWLXWCOLPWGSKW-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001103168465 1302374259 /nfs/dbraw/zinc/37/42/59/1302374259.db2.gz JWLXWCOLPWGSKW-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP CC[NH+](CC)CC(=O)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001229678406 1302913175 /nfs/dbraw/zinc/91/31/75/1302913175.db2.gz CFFXMAPCPDPQQB-UHFFFAOYSA-N 2 1 345.462 2.100 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1cccnc1 ZINC001230835536 1303489878 /nfs/dbraw/zinc/48/98/78/1303489878.db2.gz KXBKXCNWIRKMQG-UHFFFAOYSA-N 2 1 344.503 2.308 20 30 EEEDMP CC#CC[NH+](CCCNC(=O)CC[N@@H+](C)CCC)Cc1cccnc1 ZINC001230906823 1303539939 /nfs/dbraw/zinc/53/99/39/1303539939.db2.gz VWCLPAAFQXNYDP-UHFFFAOYSA-N 2 1 344.503 2.145 20 30 EEEDMP CC#CC[NH+](CCCNC(=O)CC[N@H+](C)CCC)Cc1cccnc1 ZINC001230906823 1303539944 /nfs/dbraw/zinc/53/99/44/1303539944.db2.gz VWCLPAAFQXNYDP-UHFFFAOYSA-N 2 1 344.503 2.145 20 30 EEEDMP CC#CC[N@@H+](CCCNC(=O)CC[NH+](C)CCC)Cc1cccnc1 ZINC001230906823 1303539947 /nfs/dbraw/zinc/53/99/47/1303539947.db2.gz VWCLPAAFQXNYDP-UHFFFAOYSA-N 2 1 344.503 2.145 20 30 EEEDMP CC#CC[N@H+](CCCNC(=O)CC[NH+](C)CCC)Cc1cccnc1 ZINC001230906823 1303539952 /nfs/dbraw/zinc/53/99/52/1303539952.db2.gz VWCLPAAFQXNYDP-UHFFFAOYSA-N 2 1 344.503 2.145 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423413 1309526171 /nfs/dbraw/zinc/52/61/71/1309526171.db2.gz UHGVFZPLOCBKAB-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001121616441 1310072184 /nfs/dbraw/zinc/07/21/84/1310072184.db2.gz KWGWBHCZNQVFKI-UFQJCFOOSA-N 2 1 331.504 2.149 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149707038 1316020661 /nfs/dbraw/zinc/02/06/61/1316020661.db2.gz BUIQAFPJWROGTJ-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149707038 1316020664 /nfs/dbraw/zinc/02/06/64/1316020664.db2.gz BUIQAFPJWROGTJ-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149707038 1316020667 /nfs/dbraw/zinc/02/06/67/1316020667.db2.gz BUIQAFPJWROGTJ-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715807 1316352396 /nfs/dbraw/zinc/35/23/96/1316352396.db2.gz MNZMELBDQBTSJB-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033787 1316940972 /nfs/dbraw/zinc/94/09/72/1316940972.db2.gz MWEMEMFJNRJZCC-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033787 1316940975 /nfs/dbraw/zinc/94/09/75/1316940975.db2.gz MWEMEMFJNRJZCC-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033787 1316940976 /nfs/dbraw/zinc/94/09/76/1316940976.db2.gz MWEMEMFJNRJZCC-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001252474021 1317611599 /nfs/dbraw/zinc/61/15/99/1317611599.db2.gz UYUHDYFAODIISD-XUVXKRRUSA-N 2 1 330.472 2.004 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252474021 1317611607 /nfs/dbraw/zinc/61/16/07/1317611607.db2.gz UYUHDYFAODIISD-XUVXKRRUSA-N 2 1 330.472 2.004 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252474021 1317611612 /nfs/dbraw/zinc/61/16/12/1317611612.db2.gz UYUHDYFAODIISD-XUVXKRRUSA-N 2 1 330.472 2.004 20 30 EEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001156051277 1317852995 /nfs/dbraw/zinc/85/29/95/1317852995.db2.gz BMGGFKQTXROSLX-OAHLLOKOSA-N 2 1 327.432 2.284 20 30 EEEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001156051277 1317853004 /nfs/dbraw/zinc/85/30/04/1317853004.db2.gz BMGGFKQTXROSLX-OAHLLOKOSA-N 2 1 327.432 2.284 20 30 EEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001156051277 1317853008 /nfs/dbraw/zinc/85/30/08/1317853008.db2.gz BMGGFKQTXROSLX-OAHLLOKOSA-N 2 1 327.432 2.284 20 30 EEEDMP CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109986 1318416370 /nfs/dbraw/zinc/41/63/70/1318416370.db2.gz WZVPXIMMFHEZCE-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[NH+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157109986 1318416377 /nfs/dbraw/zinc/41/63/77/1318416377.db2.gz WZVPXIMMFHEZCE-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[NH+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157109986 1318416381 /nfs/dbraw/zinc/41/63/81/1318416381.db2.gz WZVPXIMMFHEZCE-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255684262 1318515482 /nfs/dbraw/zinc/51/54/82/1318515482.db2.gz WFMMWYXXPQIGJC-WCRBZPEASA-N 2 1 346.563 2.293 20 30 EEEDMP Cn1cc[nH+]c1N([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCC(C#N)CC1 ZINC001256966111 1318905490 /nfs/dbraw/zinc/90/54/90/1318905490.db2.gz BODNNPBBNDUTFN-JCYILVPMSA-N 2 1 343.475 2.220 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001157886646 1318916869 /nfs/dbraw/zinc/91/68/69/1318916869.db2.gz JTYFCGPQFJDILE-IBGZPJMESA-N 2 1 345.462 2.146 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001157887036 1318917828 /nfs/dbraw/zinc/91/78/28/1318917828.db2.gz PUPQBTKPGLJBAT-SFHVURJKSA-N 2 1 346.450 2.166 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207523 1320420058 /nfs/dbraw/zinc/42/00/58/1320420058.db2.gz VICFPJKBTQLOLD-BBRMVZONSA-N 2 1 325.884 2.075 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207523 1320420060 /nfs/dbraw/zinc/42/00/60/1320420060.db2.gz VICFPJKBTQLOLD-BBRMVZONSA-N 2 1 325.884 2.075 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161207523 1320420048 /nfs/dbraw/zinc/42/00/48/1320420048.db2.gz VICFPJKBTQLOLD-BBRMVZONSA-N 2 1 325.884 2.075 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161207523 1320420052 /nfs/dbraw/zinc/42/00/52/1320420052.db2.gz VICFPJKBTQLOLD-BBRMVZONSA-N 2 1 325.884 2.075 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CC(C)C)CC2)CC1 ZINC001161946992 1320689327 /nfs/dbraw/zinc/68/93/27/1320689327.db2.gz PXSQBFSPOYBXSI-UHFFFAOYSA-N 2 1 331.504 2.126 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205284298 1322341946 /nfs/dbraw/zinc/34/19/46/1322341946.db2.gz LIPMOHXLHVUSSA-SJORKVTESA-N 2 1 339.911 2.442 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001210811103 1325445220 /nfs/dbraw/zinc/44/52/20/1325445220.db2.gz JAKNFJJLSNJYQW-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[C@H](C(=O)NCC1=CC[N@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001333364847 1336021168 /nfs/dbraw/zinc/02/11/68/1336021168.db2.gz HLOXKCOBHOUITM-QGZVFWFLSA-N 2 1 346.500 2.208 20 30 EEEDMP CC[C@H](C(=O)NCC1=CC[N@@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001333364847 1336021174 /nfs/dbraw/zinc/02/11/74/1336021174.db2.gz HLOXKCOBHOUITM-QGZVFWFLSA-N 2 1 346.500 2.208 20 30 EEEDMP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001340821936 1337252500 /nfs/dbraw/zinc/25/25/00/1337252500.db2.gz FDUUBOVCALRVKH-GOSISDBHSA-N 2 1 331.460 2.183 20 30 EEEDMP C=CC1(CC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)C[NH2+]C1 ZINC001574879634 1343708075 /nfs/dbraw/zinc/70/80/75/1343708075.db2.gz DNCHNYZYTURNBX-INIZCTEOSA-N 2 1 343.471 2.066 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132523209 1367756737 /nfs/dbraw/zinc/75/67/37/1367756737.db2.gz YZTAUPCMGJSPGK-VQIMIIECSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132523209 1367756746 /nfs/dbraw/zinc/75/67/46/1367756746.db2.gz YZTAUPCMGJSPGK-VQIMIIECSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132523209 1367756755 /nfs/dbraw/zinc/75/67/55/1367756755.db2.gz YZTAUPCMGJSPGK-VQIMIIECSA-N 2 1 342.487 2.368 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C)C[C@H](C)O2 ZINC001098571213 1370984049 /nfs/dbraw/zinc/98/40/49/1370984049.db2.gz OCFACLTWTFFDAW-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001366631276 1373979988 /nfs/dbraw/zinc/97/99/88/1373979988.db2.gz NHJKGXDUXPHCKS-GOSISDBHSA-N 2 1 330.476 2.083 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1cc(C#N)ccc1F ZINC001366671330 1373997133 /nfs/dbraw/zinc/99/71/33/1373997133.db2.gz NVBCUTSAJKTDGH-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1cc(C#N)ccc1F ZINC001366671330 1373997136 /nfs/dbraw/zinc/99/71/36/1373997136.db2.gz NVBCUTSAJKTDGH-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001366671330 1373997141 /nfs/dbraw/zinc/99/71/41/1373997141.db2.gz NVBCUTSAJKTDGH-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001366671330 1373997146 /nfs/dbraw/zinc/99/71/46/1373997146.db2.gz NVBCUTSAJKTDGH-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001374436951 1376813225 /nfs/dbraw/zinc/81/32/25/1376813225.db2.gz FNIBHCMFIVNPDV-MRXNPFEDSA-N 2 1 347.850 2.364 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001375895887 1378119051 /nfs/dbraw/zinc/11/90/51/1378119051.db2.gz KATCPJBFWFSGPX-HXUWFJFHSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001378893663 1380243480 /nfs/dbraw/zinc/24/34/80/1380243480.db2.gz COANXJOPRSNMJD-YOEHRIQHSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001380680497 1381336465 /nfs/dbraw/zinc/33/64/65/1381336465.db2.gz YQMQDDQYYGUZGE-QFBILLFUSA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001381532941 1381640229 /nfs/dbraw/zinc/64/02/29/1381640229.db2.gz OFAXQCLWLPZGDK-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001752606587 1406320277 /nfs/dbraw/zinc/32/02/77/1406320277.db2.gz PZCSEQASZNQRFD-KRWDZBQOSA-N 2 1 347.890 2.222 20 30 EEEDMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001391648716 1389499101 /nfs/dbraw/zinc/49/91/01/1389499101.db2.gz MIHBWFWAHFEJOB-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001391648716 1389499104 /nfs/dbraw/zinc/49/91/04/1389499104.db2.gz MIHBWFWAHFEJOB-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCCCC)C1 ZINC001752783297 1406401862 /nfs/dbraw/zinc/40/18/62/1406401862.db2.gz HDMHUNNIVSDJAH-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCCCC)C1 ZINC001752783297 1406401865 /nfs/dbraw/zinc/40/18/65/1406401865.db2.gz HDMHUNNIVSDJAH-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCCCC)C1 ZINC001752783297 1406401868 /nfs/dbraw/zinc/40/18/68/1406401868.db2.gz HDMHUNNIVSDJAH-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCCCC)C1 ZINC001752783297 1406401871 /nfs/dbraw/zinc/40/18/71/1406401871.db2.gz HDMHUNNIVSDJAH-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001393605366 1390489538 /nfs/dbraw/zinc/48/95/38/1390489538.db2.gz WPNPEOZCKYGOQC-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001393605366 1390489540 /nfs/dbraw/zinc/48/95/40/1390489540.db2.gz WPNPEOZCKYGOQC-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001393605366 1390489543 /nfs/dbraw/zinc/48/95/43/1390489543.db2.gz WPNPEOZCKYGOQC-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC=C ZINC001754865669 1406971020 /nfs/dbraw/zinc/97/10/20/1406971020.db2.gz PAUYSKMZOBMJNS-OTWHNJEPSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC=C ZINC001754865669 1406971022 /nfs/dbraw/zinc/97/10/22/1406971022.db2.gz PAUYSKMZOBMJNS-OTWHNJEPSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC=C ZINC001754865669 1406971027 /nfs/dbraw/zinc/97/10/27/1406971027.db2.gz PAUYSKMZOBMJNS-OTWHNJEPSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC=C ZINC001754865669 1406971029 /nfs/dbraw/zinc/97/10/29/1406971029.db2.gz PAUYSKMZOBMJNS-OTWHNJEPSA-N 2 1 329.488 2.116 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001425914290 1401800394 /nfs/dbraw/zinc/80/03/94/1401800394.db2.gz LWUJNSJALGRZCT-KGLIPLIRSA-N 2 1 334.489 2.041 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)s2)[C@H]1C ZINC001425934118 1401811193 /nfs/dbraw/zinc/81/11/93/1401811193.db2.gz IJHWMVAZJQFHJG-WMLDXEAASA-N 2 1 348.516 2.431 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C/C=C/c1ccccc1 ZINC001755302923 1407303260 /nfs/dbraw/zinc/30/32/60/1407303260.db2.gz HZVSGGOSJZDEQH-FBAPOHRVSA-N 2 1 339.483 2.234 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C/C=C/c1ccccc1 ZINC001755302923 1407303267 /nfs/dbraw/zinc/30/32/67/1407303267.db2.gz HZVSGGOSJZDEQH-FBAPOHRVSA-N 2 1 339.483 2.234 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)C/C=C/c1ccccc1 ZINC001755302923 1407303275 /nfs/dbraw/zinc/30/32/75/1407303275.db2.gz HZVSGGOSJZDEQH-FBAPOHRVSA-N 2 1 339.483 2.234 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)C/C=C/c1ccccc1 ZINC001755302923 1407303282 /nfs/dbraw/zinc/30/32/82/1407303282.db2.gz HZVSGGOSJZDEQH-FBAPOHRVSA-N 2 1 339.483 2.234 20 30 EEEDMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001723649081 1405769879 /nfs/dbraw/zinc/76/98/79/1405769879.db2.gz GGCAJTOTFVGDNU-IBGZPJMESA-N 2 1 333.520 2.299 20 30 EEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001755533102 1407600199 /nfs/dbraw/zinc/60/01/99/1407600199.db2.gz JDYHJMJXIOIUQG-LJQANCHMSA-N 2 1 337.483 2.145 20 30 EEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001755533102 1407600208 /nfs/dbraw/zinc/60/02/08/1407600208.db2.gz JDYHJMJXIOIUQG-LJQANCHMSA-N 2 1 337.483 2.145 20 30 EEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001755533102 1407600214 /nfs/dbraw/zinc/60/02/14/1407600214.db2.gz JDYHJMJXIOIUQG-LJQANCHMSA-N 2 1 337.483 2.145 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166045 1410877603 /nfs/dbraw/zinc/87/76/03/1410877603.db2.gz BGQHEVGYNKISBD-RBSFLKMASA-N 2 1 347.425 2.416 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115537002 1411034307 /nfs/dbraw/zinc/03/43/07/1411034307.db2.gz RNQWCHZHLSQCCD-MSOLQXFVSA-N 2 1 331.504 2.293 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087310597 761583619 /nfs/dbraw/zinc/58/36/19/761583619.db2.gz ZQNAWRUSBVXFOG-HOJAQTOUSA-N 2 1 345.531 2.347 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982740 782690387 /nfs/dbraw/zinc/69/03/87/782690387.db2.gz WEMLGNYPRYZYSF-ZBFHGGJFSA-N 2 1 333.501 2.390 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088129155 782948626 /nfs/dbraw/zinc/94/86/26/782948626.db2.gz ZGJIGTRVFWJCTB-MSOLQXFVSA-N 2 1 342.487 2.200 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088129155 782948629 /nfs/dbraw/zinc/94/86/29/782948629.db2.gz ZGJIGTRVFWJCTB-MSOLQXFVSA-N 2 1 342.487 2.200 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089869544 783131042 /nfs/dbraw/zinc/13/10/42/783131042.db2.gz LWLVDOBCAVZYKP-OKYOBFRVSA-N 2 1 331.504 2.073 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980220490 774112070 /nfs/dbraw/zinc/11/20/70/774112070.db2.gz ZUMVMTWUPMDDBL-BBWFWOEESA-N 2 1 340.471 2.001 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC3=CCCCC3)C2)CC1 ZINC000980479531 774705184 /nfs/dbraw/zinc/70/51/84/774705184.db2.gz XHRORRVBWRVSCB-HXUWFJFHSA-N 2 1 343.515 2.365 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)cc1 ZINC001027971557 775434641 /nfs/dbraw/zinc/43/46/41/775434641.db2.gz HJRMQPNZWOBLEO-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001027971557 775434643 /nfs/dbraw/zinc/43/46/43/775434643.db2.gz HJRMQPNZWOBLEO-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001027971557 775434646 /nfs/dbraw/zinc/43/46/46/775434646.db2.gz HJRMQPNZWOBLEO-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089819377 776799232 /nfs/dbraw/zinc/79/92/32/776799232.db2.gz GOUBWXSPBGUXCC-FJIDUMEYSA-N 2 1 331.504 2.216 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982472912 778500485 /nfs/dbraw/zinc/50/04/85/778500485.db2.gz PNWGOTWWPFYVES-NRSPTQNISA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982472912 778500489 /nfs/dbraw/zinc/50/04/89/778500489.db2.gz PNWGOTWWPFYVES-NRSPTQNISA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982472912 778500493 /nfs/dbraw/zinc/50/04/93/778500493.db2.gz PNWGOTWWPFYVES-NRSPTQNISA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC000982012703 778864141 /nfs/dbraw/zinc/86/41/41/778864141.db2.gz DYEHGJRLXLKASF-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000982012703 778864151 /nfs/dbraw/zinc/86/41/51/778864151.db2.gz DYEHGJRLXLKASF-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000982012703 778864164 /nfs/dbraw/zinc/86/41/64/778864164.db2.gz DYEHGJRLXLKASF-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982280102 779520041 /nfs/dbraw/zinc/52/00/41/779520041.db2.gz UOSJWQZCWOHXPK-BWPNAZKDSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982280102 779520051 /nfs/dbraw/zinc/52/00/51/779520051.db2.gz UOSJWQZCWOHXPK-BWPNAZKDSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982280102 779520060 /nfs/dbraw/zinc/52/00/60/779520060.db2.gz UOSJWQZCWOHXPK-BWPNAZKDSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997749684 790982211 /nfs/dbraw/zinc/98/22/11/790982211.db2.gz XMOGPEVPTRNOEU-YOEHRIQHSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678771 784214528 /nfs/dbraw/zinc/21/45/28/784214528.db2.gz ICMICJYUNXMFJT-JKSUJKDBSA-N 2 1 336.480 2.047 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001035373151 784392019 /nfs/dbraw/zinc/39/20/19/784392019.db2.gz HAFAXYFUHVZKER-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001035373151 784392026 /nfs/dbraw/zinc/39/20/26/784392026.db2.gz HAFAXYFUHVZKER-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001035373151 784392034 /nfs/dbraw/zinc/39/20/34/784392034.db2.gz HAFAXYFUHVZKER-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001035373151 784392045 /nfs/dbraw/zinc/39/20/45/784392045.db2.gz HAFAXYFUHVZKER-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135976048 784925087 /nfs/dbraw/zinc/92/50/87/784925087.db2.gz GHRZJQAOGVXYNT-OLZOCXBDSA-N 2 1 334.302 2.110 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424408 787198271 /nfs/dbraw/zinc/19/82/71/787198271.db2.gz MNXUOHCTNIDIEL-ZHALLVOQSA-N 2 1 337.483 2.050 20 30 EEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000997124674 789000515 /nfs/dbraw/zinc/00/05/15/789000515.db2.gz IAXUICKIJVUGID-VQIMIIECSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991502411 789142596 /nfs/dbraw/zinc/14/25/96/789142596.db2.gz KLJBHMSHTXWUOQ-MJGOQNOKSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991502411 789142601 /nfs/dbraw/zinc/14/26/01/789142601.db2.gz KLJBHMSHTXWUOQ-MJGOQNOKSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001006000222 789226427 /nfs/dbraw/zinc/22/64/27/789226427.db2.gz FKMPRONDQOCKQL-UHFFFAOYSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001006000222 789226437 /nfs/dbraw/zinc/22/64/37/789226437.db2.gz FKMPRONDQOCKQL-UHFFFAOYSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013351 793506530 /nfs/dbraw/zinc/50/65/30/793506530.db2.gz ODVDYXYPDSMXPY-LSTHTHJFSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013351 793506534 /nfs/dbraw/zinc/50/65/34/793506534.db2.gz ODVDYXYPDSMXPY-LSTHTHJFSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013351 793506538 /nfs/dbraw/zinc/50/65/38/793506538.db2.gz ODVDYXYPDSMXPY-LSTHTHJFSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992311463 793631711 /nfs/dbraw/zinc/63/17/11/793631711.db2.gz AFOGVCDSDQTBOH-FPOVZHCZSA-N 2 1 339.483 2.498 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC000999393795 794376410 /nfs/dbraw/zinc/37/64/10/794376410.db2.gz YJATUJYWIZJOTG-ROUUACIJSA-N 2 1 345.512 2.235 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC000999393795 794376417 /nfs/dbraw/zinc/37/64/17/794376417.db2.gz YJATUJYWIZJOTG-ROUUACIJSA-N 2 1 345.512 2.235 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@]3(NC(=O)Cn4ccnc4)CCC[C@H]23)cc1 ZINC000992528043 794512385 /nfs/dbraw/zinc/51/23/85/794512385.db2.gz GEFGFEKXDQQWDR-AZUAARDMSA-N 2 1 349.438 2.068 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1F ZINC001079310751 794600913 /nfs/dbraw/zinc/60/09/13/794600913.db2.gz HZGYBIZPBRUXTL-VDZJLULYSA-N 2 1 345.462 2.380 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999573764 794671908 /nfs/dbraw/zinc/67/19/08/794671908.db2.gz JTYARYXRJVOSOJ-JKSUJKDBSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001093381095 795120746 /nfs/dbraw/zinc/12/07/46/795120746.db2.gz GOJCLIYYKHQTAC-YLJYHZDGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001093381095 795120748 /nfs/dbraw/zinc/12/07/48/795120748.db2.gz GOJCLIYYKHQTAC-YLJYHZDGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001093381095 795120751 /nfs/dbraw/zinc/12/07/51/795120751.db2.gz GOJCLIYYKHQTAC-YLJYHZDGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=C)C)CC2 ZINC001094436543 796242717 /nfs/dbraw/zinc/24/27/17/796242717.db2.gz VYYZACLSPHMIKX-NLWGTHIKSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=C)C)CC2 ZINC001094436543 796242720 /nfs/dbraw/zinc/24/27/20/796242720.db2.gz VYYZACLSPHMIKX-NLWGTHIKSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=C)C)CC2 ZINC001094436543 796242723 /nfs/dbraw/zinc/24/27/23/796242723.db2.gz VYYZACLSPHMIKX-NLWGTHIKSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=C)C)CC2 ZINC001094436543 796242726 /nfs/dbraw/zinc/24/27/26/796242726.db2.gz VYYZACLSPHMIKX-NLWGTHIKSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993397131 796539921 /nfs/dbraw/zinc/53/99/21/796539921.db2.gz PSANJQHEAARWEY-GDBMZVCRSA-N 2 1 333.501 2.416 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993397131 796539926 /nfs/dbraw/zinc/53/99/26/796539926.db2.gz PSANJQHEAARWEY-GDBMZVCRSA-N 2 1 333.501 2.416 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC)C1 ZINC001081126960 796670527 /nfs/dbraw/zinc/67/05/27/796670527.db2.gz MTQLBHUAEUGTQP-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC)C1 ZINC001081126960 796670532 /nfs/dbraw/zinc/67/05/32/796670532.db2.gz MTQLBHUAEUGTQP-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC=C(C)C)[C@@H]2C)CC1 ZINC000994471080 798050882 /nfs/dbraw/zinc/05/08/82/798050882.db2.gz AKNDASOJFVAUCR-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346753 798161300 /nfs/dbraw/zinc/16/13/00/798161300.db2.gz ZNZNPLTUBSWNMH-QWFCFKBJSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346753 798161304 /nfs/dbraw/zinc/16/13/04/798161304.db2.gz ZNZNPLTUBSWNMH-QWFCFKBJSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346753 798161309 /nfs/dbraw/zinc/16/13/09/798161309.db2.gz ZNZNPLTUBSWNMH-QWFCFKBJSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958108 798577425 /nfs/dbraw/zinc/57/74/25/798577425.db2.gz LTZOKCZZCMVWMY-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958108 798577428 /nfs/dbraw/zinc/57/74/28/798577428.db2.gz LTZOKCZZCMVWMY-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958108 798577432 /nfs/dbraw/zinc/57/74/32/798577432.db2.gz LTZOKCZZCMVWMY-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033121 798623332 /nfs/dbraw/zinc/62/33/32/798623332.db2.gz ROBZTVSXPWLOFC-UWVAXJGDSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033121 798623335 /nfs/dbraw/zinc/62/33/35/798623335.db2.gz ROBZTVSXPWLOFC-UWVAXJGDSA-N 2 1 349.494 2.145 20 30 EEEDMP C=C(Cl)CN1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002803287 798624427 /nfs/dbraw/zinc/62/44/27/798624427.db2.gz UPCVVBQYAOVPCF-GOEBONIOSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002803287 798624429 /nfs/dbraw/zinc/62/44/29/798624429.db2.gz UPCVVBQYAOVPCF-GOEBONIOSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002803287 798624431 /nfs/dbraw/zinc/62/44/31/798624431.db2.gz UPCVVBQYAOVPCF-GOEBONIOSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCC(C)CC3)C2)CC1 ZINC001016335109 798671353 /nfs/dbraw/zinc/67/13/53/798671353.db2.gz AQVFXEOEXNIICZ-QLOJAFMTSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001003516097 799767072 /nfs/dbraw/zinc/76/70/72/799767072.db2.gz MSXDESXDDBHMLI-MRXNPFEDSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[NH+]1CCC(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001003639719 799941725 /nfs/dbraw/zinc/94/17/25/799941725.db2.gz XGYGARIKJGEXBQ-UHFFFAOYSA-N 2 1 346.475 2.431 20 30 EEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001179585278 800017611 /nfs/dbraw/zinc/01/76/11/800017611.db2.gz GFLJCBJXQAZTFY-QGZVFWFLSA-N 2 1 330.476 2.043 20 30 EEEDMP C#CC[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179585276 800017917 /nfs/dbraw/zinc/01/79/17/800017917.db2.gz GECPISNMBFGRFO-SFHVURJKSA-N 2 1 325.472 2.098 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001183575656 801656258 /nfs/dbraw/zinc/65/62/58/801656258.db2.gz DABBPBXHCIUAKK-MOPGFXCFSA-N 2 1 327.472 2.275 20 30 EEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001183575656 801656261 /nfs/dbraw/zinc/65/62/61/801656261.db2.gz DABBPBXHCIUAKK-MOPGFXCFSA-N 2 1 327.472 2.275 20 30 EEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001183575656 801656266 /nfs/dbraw/zinc/65/62/66/801656266.db2.gz DABBPBXHCIUAKK-MOPGFXCFSA-N 2 1 327.472 2.275 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130431327 811632251 /nfs/dbraw/zinc/63/22/51/811632251.db2.gz VGKNJBLPNOXLDU-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[N@H+](C)CC)C1 ZINC001130438025 811668125 /nfs/dbraw/zinc/66/81/25/811668125.db2.gz IXDMLURPBQNOIU-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130438025 811668134 /nfs/dbraw/zinc/66/81/34/811668134.db2.gz IXDMLURPBQNOIU-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130438025 811668141 /nfs/dbraw/zinc/66/81/41/811668141.db2.gz IXDMLURPBQNOIU-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001131453874 812854085 /nfs/dbraw/zinc/85/40/85/812854085.db2.gz BPIUWRFNGFRFGQ-QYZOEREBSA-N 2 1 349.519 2.033 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001436922671 1088582649 /nfs/dbraw/zinc/58/26/49/1088582649.db2.gz CCZXWDRUFYHRFM-QAQDUYKDSA-N 2 1 346.450 2.166 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437323960 1089488073 /nfs/dbraw/zinc/48/80/73/1089488073.db2.gz DXTAURZSMRETAI-MOPGFXCFSA-N 2 1 342.487 2.417 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001444457024 1099107482 /nfs/dbraw/zinc/10/74/82/1099107482.db2.gz ZFLOZODYQQYABY-WMLDXEAASA-N 2 1 348.516 2.336 20 30 EEEDMP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1C#N ZINC001493150982 1107599841 /nfs/dbraw/zinc/59/98/41/1107599841.db2.gz HUZRQMYURUKXTB-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1C#N ZINC001493150982 1107599848 /nfs/dbraw/zinc/59/98/48/1107599848.db2.gz HUZRQMYURUKXTB-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001493150982 1107599861 /nfs/dbraw/zinc/59/98/61/1107599861.db2.gz HUZRQMYURUKXTB-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001493150982 1107599869 /nfs/dbraw/zinc/59/98/69/1107599869.db2.gz HUZRQMYURUKXTB-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001506867462 1114937061 /nfs/dbraw/zinc/93/70/61/1114937061.db2.gz XELHJDGXZYVUTH-UHFFFAOYSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001506867462 1114937063 /nfs/dbraw/zinc/93/70/63/1114937063.db2.gz XELHJDGXZYVUTH-UHFFFAOYSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001506867462 1114937065 /nfs/dbraw/zinc/93/70/65/1114937065.db2.gz XELHJDGXZYVUTH-UHFFFAOYSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001506867462 1114937068 /nfs/dbraw/zinc/93/70/68/1114937068.db2.gz XELHJDGXZYVUTH-UHFFFAOYSA-N 2 1 327.900 2.395 20 30 EEEDMP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001506935753 1114986184 /nfs/dbraw/zinc/98/61/84/1114986184.db2.gz MEFYZVHNNDBMPW-QUCCMNQESA-N 2 1 341.499 2.397 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000491808537 533101741 /nfs/dbraw/zinc/10/17/41/533101741.db2.gz WFDGCRNGZWWLKD-MOPGFXCFSA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000491808537 533101748 /nfs/dbraw/zinc/10/17/48/533101748.db2.gz WFDGCRNGZWWLKD-MOPGFXCFSA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000491808537 533101753 /nfs/dbraw/zinc/10/17/53/533101753.db2.gz WFDGCRNGZWWLKD-MOPGFXCFSA-N 2 1 348.535 2.238 20 30 EEEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191419247 533313683 /nfs/dbraw/zinc/31/36/83/533313683.db2.gz MGRGJSPQTWTDHD-UHFFFAOYSA-N 2 1 332.492 2.467 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccc(C#N)cc1 ZINC000374426636 167040696 /nfs/dbraw/zinc/04/06/96/167040696.db2.gz FMWNGAVGEVRYEV-QRQLOZEOSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOc1ccc(C#N)cc1 ZINC000374426636 167040699 /nfs/dbraw/zinc/04/06/99/167040699.db2.gz FMWNGAVGEVRYEV-QRQLOZEOSA-N 2 1 329.444 2.121 20 30 EEEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000134122965 463005910 /nfs/dbraw/zinc/00/59/10/463005910.db2.gz NXROKUIOQQJOLU-DOTOQJQBSA-N 2 1 330.476 2.392 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911808 463741228 /nfs/dbraw/zinc/74/12/28/463741228.db2.gz VDQDPKDRDAFXDE-IBGZPJMESA-N 3 1 343.519 2.171 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261803804 463866373 /nfs/dbraw/zinc/86/63/73/463866373.db2.gz SAUHLQPFXHCOFG-GOEBONIOSA-N 2 1 349.910 2.035 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000171722554 463913369 /nfs/dbraw/zinc/91/33/69/463913369.db2.gz LTTWQWFRDIRESE-UHFFFAOYSA-N 2 1 330.476 2.068 20 30 EEEDMP C[NH+]=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N(C)C ZINC000262757324 464043870 /nfs/dbraw/zinc/04/38/70/464043870.db2.gz HTBDMJJGIMKOPF-CQSZACIVSA-N 2 1 328.382 2.417 20 30 EEEDMP C[NH+]=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N(C)C ZINC000262757324 464043873 /nfs/dbraw/zinc/04/38/73/464043873.db2.gz HTBDMJJGIMKOPF-CQSZACIVSA-N 2 1 328.382 2.417 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(F)cc(F)c(F)c1F ZINC000280452418 464206072 /nfs/dbraw/zinc/20/60/72/464206072.db2.gz VRWSNGPNYOHXOS-SECBINFHSA-N 2 1 332.345 2.132 20 30 EEEDMP CCOc1ccc([C@@H]2C[C@H]2NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000280564392 464217817 /nfs/dbraw/zinc/21/78/17/464217817.db2.gz KVKOBKZLAISKDM-BPQIPLTHSA-N 2 1 330.476 2.330 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2cc(F)ccc12 ZINC000264095044 464282492 /nfs/dbraw/zinc/28/24/92/464282492.db2.gz LVHNWYYBMTWZNH-OAHLLOKOSA-N 2 1 331.439 2.238 20 30 EEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000293112928 464387593 /nfs/dbraw/zinc/38/75/93/464387593.db2.gz YPKCNKOBCIUTBR-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000293112928 464387595 /nfs/dbraw/zinc/38/75/95/464387595.db2.gz YPKCNKOBCIUTBR-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000298658428 465462994 /nfs/dbraw/zinc/46/29/94/465462994.db2.gz HLAJFIPZFXGMHL-PKOBYXMFSA-N 2 1 348.535 2.469 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)C(C)C ZINC000343444306 465517305 /nfs/dbraw/zinc/51/73/05/465517305.db2.gz NESUZOCCWIAOCQ-GOSISDBHSA-N 2 1 334.508 2.246 20 30 EEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000360948715 465655056 /nfs/dbraw/zinc/65/50/56/465655056.db2.gz VPLACISPIGROCG-IEZWGBDMSA-N 2 1 334.508 2.285 20 30 EEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000360948717 465655748 /nfs/dbraw/zinc/65/57/48/465655748.db2.gz VPLACISPIGROCG-KVSKMBFKSA-N 2 1 334.508 2.285 20 30 EEEDMP C[C@H](CCC#N)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000411381701 466817853 /nfs/dbraw/zinc/81/78/53/466817853.db2.gz DXPVSKBXFVVLGA-QGZVFWFLSA-N 2 1 330.476 2.441 20 30 EEEDMP Cc1oc(NC(=O)CN2CCC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000365619877 466884629 /nfs/dbraw/zinc/88/46/29/466884629.db2.gz CDAGSKXOZQSAHA-CQSZACIVSA-N 2 1 341.415 2.320 20 30 EEEDMP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000424130724 466986221 /nfs/dbraw/zinc/98/62/21/466986221.db2.gz HQVZMOXKMOXXCJ-RBUKOAKNSA-N 2 1 342.487 2.207 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000458311455 467807344 /nfs/dbraw/zinc/80/73/44/467807344.db2.gz AIMSLVHRXUDDAO-MRXNPFEDSA-N 2 1 334.508 2.153 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000488846370 468108422 /nfs/dbraw/zinc/10/84/22/468108422.db2.gz STKLYJYRDFTCKD-ZHALLVOQSA-N 2 1 348.535 2.399 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600721427 468633840 /nfs/dbraw/zinc/63/38/40/468633840.db2.gz MGGXJLUHPCDAGK-SJLPKXTDSA-N 2 1 331.460 2.008 20 30 EEEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000583867105 468767065 /nfs/dbraw/zinc/76/70/65/468767065.db2.gz RWXAWNGAEJGYRF-PXNSSMCTSA-N 2 1 344.503 2.008 20 30 EEEDMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000595513074 468884469 /nfs/dbraw/zinc/88/44/69/468884469.db2.gz SEPZJQCDJUTVSV-UHFFFAOYSA-N 2 1 337.508 2.159 20 30 EEEDMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511674 468991649 /nfs/dbraw/zinc/99/16/49/468991649.db2.gz GCIFKRKLCWIIPJ-MOPGFXCFSA-N 2 1 345.487 2.156 20 30 EEEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511674 468991659 /nfs/dbraw/zinc/99/16/59/468991659.db2.gz GCIFKRKLCWIIPJ-MOPGFXCFSA-N 2 1 345.487 2.156 20 30 EEEDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511674 468991668 /nfs/dbraw/zinc/99/16/68/468991668.db2.gz GCIFKRKLCWIIPJ-MOPGFXCFSA-N 2 1 345.487 2.156 20 30 EEEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511674 468991678 /nfs/dbraw/zinc/99/16/78/468991678.db2.gz GCIFKRKLCWIIPJ-MOPGFXCFSA-N 2 1 345.487 2.156 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001022202292 676727673 /nfs/dbraw/zinc/72/76/73/676727673.db2.gz WACRICNLQUENNY-IJEWVQPXSA-N 2 1 325.884 2.383 20 30 EEEDMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCSCC1 ZINC000261983704 676891901 /nfs/dbraw/zinc/89/19/01/676891901.db2.gz JEKRNILUIFCHHH-AWEZNQCLSA-N 2 1 338.546 2.324 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000972858425 679825243 /nfs/dbraw/zinc/82/52/43/679825243.db2.gz YBLAISYLGDOTIN-JKSUJKDBSA-N 2 1 346.500 2.041 20 30 EEEDMP CN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000972858425 679825244 /nfs/dbraw/zinc/82/52/44/679825244.db2.gz YBLAISYLGDOTIN-JKSUJKDBSA-N 2 1 346.500 2.041 20 30 EEEDMP C[N@@H+]1CC=C(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000263170819 679565604 /nfs/dbraw/zinc/56/56/04/679565604.db2.gz RMRYNWBPHDDJFX-UHFFFAOYSA-N 2 1 347.894 2.039 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023761776 679567160 /nfs/dbraw/zinc/56/71/60/679567160.db2.gz JCTPGUGTHSFMKC-HOTGVXAUSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023761776 679567161 /nfs/dbraw/zinc/56/71/61/679567161.db2.gz JCTPGUGTHSFMKC-HOTGVXAUSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761776 679567163 /nfs/dbraw/zinc/56/71/63/679567163.db2.gz JCTPGUGTHSFMKC-HOTGVXAUSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761776 679567165 /nfs/dbraw/zinc/56/71/65/679567165.db2.gz JCTPGUGTHSFMKC-HOTGVXAUSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001024987884 681673902 /nfs/dbraw/zinc/67/39/02/681673902.db2.gz ZEJLMDBJGXUQKX-ROUUACIJSA-N 2 1 345.512 2.316 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001024987884 681673906 /nfs/dbraw/zinc/67/39/06/681673906.db2.gz ZEJLMDBJGXUQKX-ROUUACIJSA-N 2 1 345.512 2.316 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642169 681950512 /nfs/dbraw/zinc/95/05/12/681950512.db2.gz QQQNIIZMYGSNHH-IZZBFERCSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982642169 681950519 /nfs/dbraw/zinc/95/05/19/681950519.db2.gz QQQNIIZMYGSNHH-IZZBFERCSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982642169 681950521 /nfs/dbraw/zinc/95/05/21/681950521.db2.gz QQQNIIZMYGSNHH-IZZBFERCSA-N 2 1 343.515 2.197 20 30 EEEDMP C[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261944819 682527415 /nfs/dbraw/zinc/52/74/15/682527415.db2.gz FLUBHFLLVUZADX-QFBILLFUSA-N 2 1 336.524 2.185 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025451519 682785963 /nfs/dbraw/zinc/78/59/63/682785963.db2.gz HRHSLUNXAUAINL-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461662 682827640 /nfs/dbraw/zinc/82/76/40/682827640.db2.gz WXUXZHAWWUYXOY-CABCVRRESA-N 2 1 334.464 2.143 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461662 682827643 /nfs/dbraw/zinc/82/76/43/682827643.db2.gz WXUXZHAWWUYXOY-CABCVRRESA-N 2 1 334.464 2.143 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC000992774116 683432629 /nfs/dbraw/zinc/43/26/29/683432629.db2.gz SMDANJMGTSUNLX-BZUAXINKSA-N 2 1 336.867 2.161 20 30 EEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000985535274 687110122 /nfs/dbraw/zinc/11/01/22/687110122.db2.gz WIDNUSFGGMZJAR-UHFFFAOYSA-N 2 1 330.476 2.261 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000985535274 687110123 /nfs/dbraw/zinc/11/01/23/687110123.db2.gz WIDNUSFGGMZJAR-UHFFFAOYSA-N 2 1 330.476 2.261 20 30 EEEDMP CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2C#N)CC1)[NH+](C)C ZINC000985656758 687409390 /nfs/dbraw/zinc/40/93/90/687409390.db2.gz NKNWFMWKDPIWMM-IBGZPJMESA-N 2 1 342.487 2.321 20 30 EEEDMP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986355134 688504739 /nfs/dbraw/zinc/50/47/39/688504739.db2.gz LJLIESNALCALIZ-BEFAXECRSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(N3CCOCC3)CCCC2)C1 ZINC001027600782 693418739 /nfs/dbraw/zinc/41/87/39/693418739.db2.gz MBYUUYUGEXNOSE-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752524696 1181927643 /nfs/dbraw/zinc/92/76/43/1181927643.db2.gz HAARGXAYLKZHSS-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCCC2(C[NH+](Cc3ccc[nH]3)C2)C1 ZINC001271954032 1186702282 /nfs/dbraw/zinc/70/22/82/1186702282.db2.gz PWMJRSXWYBXUOR-UHFFFAOYSA-N 2 1 342.487 2.091 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105574843 1188188897 /nfs/dbraw/zinc/18/88/97/1188188897.db2.gz JUEHDOYZNGSKGH-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000991064324 1189766416 /nfs/dbraw/zinc/76/64/16/1189766416.db2.gz CWHRBDQDJTYSEF-CMKODMSKSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991064324 1189766420 /nfs/dbraw/zinc/76/64/20/1189766420.db2.gz CWHRBDQDJTYSEF-CMKODMSKSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991064324 1189766423 /nfs/dbraw/zinc/76/64/23/1189766423.db2.gz CWHRBDQDJTYSEF-CMKODMSKSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946809025 1194416649 /nfs/dbraw/zinc/41/66/49/1194416649.db2.gz WRYXDBBLXVBFKD-SLFFLAALSA-N 2 1 345.531 2.445 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001034139585 1195813109 /nfs/dbraw/zinc/81/31/09/1195813109.db2.gz UUMIJYGZLUMCMX-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001034139585 1195813113 /nfs/dbraw/zinc/81/31/13/1195813113.db2.gz UUMIJYGZLUMCMX-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001034139585 1195813117 /nfs/dbraw/zinc/81/31/17/1195813117.db2.gz UUMIJYGZLUMCMX-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468974 1196272524 /nfs/dbraw/zinc/27/25/24/1196272524.db2.gz UEGIJPPNWFRCQM-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468974 1196272527 /nfs/dbraw/zinc/27/25/27/1196272527.db2.gz UEGIJPPNWFRCQM-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001034962380 1196943710 /nfs/dbraw/zinc/94/37/10/1196943710.db2.gz LLVYQRSSLCLMIC-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001034962380 1196943715 /nfs/dbraw/zinc/94/37/15/1196943715.db2.gz LLVYQRSSLCLMIC-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132521350 1199830926 /nfs/dbraw/zinc/83/09/26/1199830926.db2.gz CANCIVURMQSIBA-AZUAARDMSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132521350 1199830932 /nfs/dbraw/zinc/83/09/32/1199830932.db2.gz CANCIVURMQSIBA-AZUAARDMSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132521350 1199830936 /nfs/dbraw/zinc/83/09/36/1199830936.db2.gz CANCIVURMQSIBA-AZUAARDMSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132521350 1199830939 /nfs/dbraw/zinc/83/09/39/1199830939.db2.gz CANCIVURMQSIBA-AZUAARDMSA-N 2 1 341.499 2.347 20 30 EEEDMP C[C@H](C#N)OCC[N@@H+](C)[C@@H]1CC[C@@H]([NH+](C)CCO[C@@H](C)C#N)CC1 ZINC000886389632 1202500166 /nfs/dbraw/zinc/50/01/66/1202500166.db2.gz RLGUJXJLXXOZHL-VPLLLXJESA-N 2 1 336.480 2.019 20 30 EEEDMP C[C@H](C#N)OCC[NH+](C)[C@@H]1CC[C@@H]([N@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000886389632 1202500168 /nfs/dbraw/zinc/50/01/68/1202500168.db2.gz RLGUJXJLXXOZHL-VPLLLXJESA-N 2 1 336.480 2.019 20 30 EEEDMP C[C@H](C#N)OCC[NH+](C)[C@@H]1CC[C@@H]([N@@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000886389632 1202500169 /nfs/dbraw/zinc/50/01/69/1202500169.db2.gz RLGUJXJLXXOZHL-VPLLLXJESA-N 2 1 336.480 2.019 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001275368754 1205323405 /nfs/dbraw/zinc/32/34/05/1205323405.db2.gz ZWUOOKJTMMMUPB-OALUTQOASA-N 2 1 337.471 2.250 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947556691 1208619329 /nfs/dbraw/zinc/61/93/29/1208619329.db2.gz SFCZCAHXEMUSIL-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947556691 1208619332 /nfs/dbraw/zinc/61/93/32/1208619332.db2.gz SFCZCAHXEMUSIL-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000948625425 1209258472 /nfs/dbraw/zinc/25/84/72/1209258472.db2.gz OYFJHOILQJZHIO-QGZVFWFLSA-N 2 1 342.487 2.098 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000948625425 1209258475 /nfs/dbraw/zinc/25/84/75/1209258475.db2.gz OYFJHOILQJZHIO-QGZVFWFLSA-N 2 1 342.487 2.098 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@@H+](C)CC3CCC3)C2)CC1 ZINC001017265800 1212448268 /nfs/dbraw/zinc/44/82/68/1212448268.db2.gz CXTWEUZTSPZABI-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP CCC(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)[NH+]1CCCC1 ZINC000303774046 1213903476 /nfs/dbraw/zinc/90/34/76/1213903476.db2.gz FTBKUIKFGWPCLN-MSOLQXFVSA-N 3 1 337.556 2.276 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000960301586 1216482083 /nfs/dbraw/zinc/48/20/83/1216482083.db2.gz XQDNBKMRHHESCK-MISYRCLQSA-N 2 1 339.483 2.113 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCC2)CC1 ZINC000961024324 1217011961 /nfs/dbraw/zinc/01/19/61/1217011961.db2.gz CAQRBTGVLFFLTK-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961338736 1217149012 /nfs/dbraw/zinc/14/90/12/1217149012.db2.gz GXLVZJVYKCMXST-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961338736 1217149014 /nfs/dbraw/zinc/14/90/14/1217149014.db2.gz GXLVZJVYKCMXST-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386788 1217584682 /nfs/dbraw/zinc/58/46/82/1217584682.db2.gz RDKHHEZLCDRWRC-HZPDHXFCSA-N 2 1 328.460 2.024 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386788 1217584686 /nfs/dbraw/zinc/58/46/86/1217584686.db2.gz RDKHHEZLCDRWRC-HZPDHXFCSA-N 2 1 328.460 2.024 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327842 1221212492 /nfs/dbraw/zinc/21/24/92/1221212492.db2.gz TUNCRHOKCMDHTB-VQIMIIECSA-N 2 1 329.488 2.417 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000968954194 1221699380 /nfs/dbraw/zinc/69/93/80/1221699380.db2.gz CJUABFZRQHOLBN-UXHICEINSA-N 2 1 339.483 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000968954194 1221699384 /nfs/dbraw/zinc/69/93/84/1221699384.db2.gz CJUABFZRQHOLBN-UXHICEINSA-N 2 1 339.483 2.092 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007894231 1222488508 /nfs/dbraw/zinc/48/85/08/1222488508.db2.gz HIWDLQHHPJVGOT-INIZCTEOSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140404 1230355455 /nfs/dbraw/zinc/35/54/55/1230355455.db2.gz FYWPEXLULNCHTJ-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140404 1230355457 /nfs/dbraw/zinc/35/54/57/1230355457.db2.gz FYWPEXLULNCHTJ-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140404 1230355461 /nfs/dbraw/zinc/35/54/61/1230355461.db2.gz FYWPEXLULNCHTJ-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039141023 1230356717 /nfs/dbraw/zinc/35/67/17/1230356717.db2.gz NFKSZJNTCMOBRZ-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141023 1230356720 /nfs/dbraw/zinc/35/67/20/1230356720.db2.gz NFKSZJNTCMOBRZ-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039141023 1230356723 /nfs/dbraw/zinc/35/67/23/1230356723.db2.gz NFKSZJNTCMOBRZ-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039384695 1230569217 /nfs/dbraw/zinc/56/92/17/1230569217.db2.gz JXLFHWSYPCYMKA-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039384695 1230569220 /nfs/dbraw/zinc/56/92/20/1230569220.db2.gz JXLFHWSYPCYMKA-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001039384695 1230569222 /nfs/dbraw/zinc/56/92/22/1230569222.db2.gz JXLFHWSYPCYMKA-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CC1 ZINC001040746242 1231355994 /nfs/dbraw/zinc/35/59/94/1231355994.db2.gz XOTUJIDMLFLBPH-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041584655 1231609011 /nfs/dbraw/zinc/60/90/11/1231609011.db2.gz BWRHIPAQUSAAAI-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041584655 1231609013 /nfs/dbraw/zinc/60/90/13/1231609013.db2.gz BWRHIPAQUSAAAI-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041584655 1231609015 /nfs/dbraw/zinc/60/90/15/1231609015.db2.gz BWRHIPAQUSAAAI-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785190 1231693808 /nfs/dbraw/zinc/69/38/08/1231693808.db2.gz CFGJHQNWTGIRDI-RDJZCZTQSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785190 1231693809 /nfs/dbraw/zinc/69/38/09/1231693809.db2.gz CFGJHQNWTGIRDI-RDJZCZTQSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785190 1231693811 /nfs/dbraw/zinc/69/38/11/1231693811.db2.gz CFGJHQNWTGIRDI-RDJZCZTQSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785190 1231693812 /nfs/dbraw/zinc/69/38/12/1231693812.db2.gz CFGJHQNWTGIRDI-RDJZCZTQSA-N 2 1 325.884 2.005 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063461 1231861979 /nfs/dbraw/zinc/86/19/79/1231861979.db2.gz XGUKLRRIHVNXQW-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042123438 1231903776 /nfs/dbraw/zinc/90/37/76/1231903776.db2.gz SEOICNJRJCAKOW-QFBILLFUSA-N 2 1 336.439 2.202 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042123538 1231904582 /nfs/dbraw/zinc/90/45/82/1231904582.db2.gz SQXYLOIBLKSIOM-LPHOPBHVSA-N 2 1 336.439 2.202 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001045200864 1233576985 /nfs/dbraw/zinc/57/69/85/1233576985.db2.gz SPCQQNQEMQFCLB-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001045943965 1234203733 /nfs/dbraw/zinc/20/37/33/1234203733.db2.gz SJLGLOYYFIBSHC-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC(=C)C)C2)C1 ZINC001045943965 1234203737 /nfs/dbraw/zinc/20/37/37/1234203737.db2.gz SJLGLOYYFIBSHC-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(=C)C)C2)C1 ZINC001045943965 1234203741 /nfs/dbraw/zinc/20/37/41/1234203741.db2.gz SJLGLOYYFIBSHC-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(=C)C)C2)C1 ZINC001045943965 1234203747 /nfs/dbraw/zinc/20/37/47/1234203747.db2.gz SJLGLOYYFIBSHC-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045944182 1234204262 /nfs/dbraw/zinc/20/42/62/1234204262.db2.gz ZHHDOKNRBKTTRE-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960200 1234234236 /nfs/dbraw/zinc/23/42/36/1234234236.db2.gz GFQUTRJVDIEQIH-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001045980451 1234271424 /nfs/dbraw/zinc/27/14/24/1234271424.db2.gz YXGZWCQFGOGYJC-FQEVSTJZSA-N 2 1 340.471 2.099 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001045980451 1234271426 /nfs/dbraw/zinc/27/14/26/1234271426.db2.gz YXGZWCQFGOGYJC-FQEVSTJZSA-N 2 1 340.471 2.099 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048817893 1238730608 /nfs/dbraw/zinc/73/06/08/1238730608.db2.gz ZCMPTRVAIUBUSH-XHSDSOJGSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817893 1238730617 /nfs/dbraw/zinc/73/06/17/1238730617.db2.gz ZCMPTRVAIUBUSH-XHSDSOJGSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817893 1238730632 /nfs/dbraw/zinc/73/06/32/1238730632.db2.gz ZCMPTRVAIUBUSH-XHSDSOJGSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049096320 1239989462 /nfs/dbraw/zinc/98/94/62/1239989462.db2.gz PMRXZAXPHMUWEU-CALCHBBNSA-N 2 1 330.476 2.363 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049096320 1239989470 /nfs/dbraw/zinc/98/94/70/1239989470.db2.gz PMRXZAXPHMUWEU-CALCHBBNSA-N 2 1 330.476 2.363 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049166373 1240166810 /nfs/dbraw/zinc/16/68/10/1240166810.db2.gz ZLBJIZSAOQRVMC-LVCYWYKZSA-N 2 1 341.499 2.430 20 30 EEEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001000997829 1241412600 /nfs/dbraw/zinc/41/26/00/1241412600.db2.gz GKMOLLFQWFYINR-UHFFFAOYSA-N 2 1 327.472 2.339 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049566176 1241440367 /nfs/dbraw/zinc/44/03/67/1241440367.db2.gz GYJZHYPOPLTCCZ-OTWHNJEPSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677640 1241850325 /nfs/dbraw/zinc/85/03/25/1241850325.db2.gz VNVBBIJEDITEGK-DLBZAZTESA-N 2 1 329.444 2.043 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049913148 1242672374 /nfs/dbraw/zinc/67/23/74/1242672374.db2.gz BQEWPQFASDACSP-OTWHNJEPSA-N 2 1 331.504 2.195 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097858821 1244697268 /nfs/dbraw/zinc/69/72/68/1244697268.db2.gz YGPKMTVIJQLAQZ-IDCNUPLLSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097858821 1244697278 /nfs/dbraw/zinc/69/72/78/1244697278.db2.gz YGPKMTVIJQLAQZ-IDCNUPLLSA-N 2 1 328.460 2.052 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001097859490 1244698391 /nfs/dbraw/zinc/69/83/91/1244698391.db2.gz OSUDAJXMOITNDP-KYJSFNMBSA-N 2 1 344.459 2.182 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001097859490 1244698401 /nfs/dbraw/zinc/69/84/01/1244698401.db2.gz OSUDAJXMOITNDP-KYJSFNMBSA-N 2 1 344.459 2.182 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052713107 1244814290 /nfs/dbraw/zinc/81/42/90/1244814290.db2.gz QVXACVFKTOGUFG-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052713107 1244814299 /nfs/dbraw/zinc/81/42/99/1244814299.db2.gz QVXACVFKTOGUFG-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CCC[NH+]1CCc2c(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cccc2C1 ZINC001051293322 1245492122 /nfs/dbraw/zinc/49/21/22/1245492122.db2.gz QOJJPEIZTMHZGV-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CCC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCCC[NH+]3C)cccc2C1 ZINC001051293322 1245492124 /nfs/dbraw/zinc/49/21/24/1245492124.db2.gz QOJJPEIZTMHZGV-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCCC[NH+]3C)cccc2C1 ZINC001051293322 1245492126 /nfs/dbraw/zinc/49/21/26/1245492126.db2.gz QOJJPEIZTMHZGV-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)CC2)CC1 ZINC001052953753 1245544534 /nfs/dbraw/zinc/54/45/34/1245544534.db2.gz HEKMYRCKXCXTFI-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257091 1245580567 /nfs/dbraw/zinc/58/05/67/1245580567.db2.gz GQTQRHFLCOXDOB-AOIWGVFYSA-N 2 1 339.499 2.413 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050048 1245768412 /nfs/dbraw/zinc/76/84/12/1245768412.db2.gz BKEZMHQPZDNVKJ-OALUTQOASA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001101550708 1245955844 /nfs/dbraw/zinc/95/58/44/1245955844.db2.gz WBBGCXSIWJNGMS-RTBURBONSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001054290729 1248024988 /nfs/dbraw/zinc/02/49/88/1248024988.db2.gz WJEQEIPOLXWRTA-UHFFFAOYSA-N 2 1 325.456 2.290 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001099597508 1258245793 /nfs/dbraw/zinc/24/57/93/1258245793.db2.gz XETJRXNWYOUBIS-SFHVURJKSA-N 2 1 349.519 2.036 20 30 EEEDMP C=CCOCC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001100764854 1259232451 /nfs/dbraw/zinc/23/24/51/1259232451.db2.gz IMNGZNIZAIICLU-UHFFFAOYSA-N 2 1 339.524 2.186 20 30 EEEDMP C[C@H](C[C@H](C)NC(=O)CCc1cnc[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001134545432 1278002460 /nfs/dbraw/zinc/00/24/60/1278002460.db2.gz OTWBZJQZEFFSNO-CABCVRRESA-N 2 1 339.443 2.287 20 30 EEEDMP C[C@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)CCc1cnc[nH]1 ZINC001134545438 1278002525 /nfs/dbraw/zinc/00/25/25/1278002525.db2.gz OTWBZJQZEFFSNO-LSDHHAIUSA-N 2 1 339.443 2.287 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186604981 1279174568 /nfs/dbraw/zinc/17/45/68/1279174568.db2.gz JXJNMOGGTVDHSO-GOSISDBHSA-N 2 1 333.520 2.302 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001191019166 1281177857 /nfs/dbraw/zinc/17/78/57/1281177857.db2.gz KDEFEAYPEJANJM-SFHVURJKSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001191019166 1281177865 /nfs/dbraw/zinc/17/78/65/1281177865.db2.gz KDEFEAYPEJANJM-SFHVURJKSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001191019166 1281177868 /nfs/dbraw/zinc/17/78/68/1281177868.db2.gz KDEFEAYPEJANJM-SFHVURJKSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001192960520 1282246434 /nfs/dbraw/zinc/24/64/34/1282246434.db2.gz QOHRZAVJKQVIGW-LJQANCHMSA-N 2 1 345.462 2.052 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001193600894 1282629754 /nfs/dbraw/zinc/62/97/54/1282629754.db2.gz OGSMTDUJLBBOFT-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001193600894 1282629770 /nfs/dbraw/zinc/62/97/70/1282629770.db2.gz OGSMTDUJLBBOFT-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001193600894 1282629786 /nfs/dbraw/zinc/62/97/86/1282629786.db2.gz OGSMTDUJLBBOFT-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275273 1282949784 /nfs/dbraw/zinc/94/97/84/1282949784.db2.gz QVMWSBZGEQUZES-MOPGFXCFSA-N 2 1 345.487 2.025 20 30 EEEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275273 1282949787 /nfs/dbraw/zinc/94/97/87/1282949787.db2.gz QVMWSBZGEQUZES-MOPGFXCFSA-N 2 1 345.487 2.025 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCC(C)(C)C)C2)CC1 ZINC001194246703 1282955361 /nfs/dbraw/zinc/95/53/61/1282955361.db2.gz QIWNXLQGEKAJIA-GOSISDBHSA-N 2 1 333.520 2.301 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001197886442 1284868491 /nfs/dbraw/zinc/86/84/91/1284868491.db2.gz VVAODDCDPVTYQG-UHFFFAOYSA-N 2 1 348.516 2.386 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001197886442 1284868501 /nfs/dbraw/zinc/86/85/01/1284868501.db2.gz VVAODDCDPVTYQG-UHFFFAOYSA-N 2 1 348.516 2.386 20 30 EEEDMP C=CCC[NH2+][C@H](CNC(=O)C[N@H+](C)CCC)c1ccccc1OC ZINC001198969209 1285450581 /nfs/dbraw/zinc/45/05/81/1285450581.db2.gz SOSKVGDAAOASAM-QGZVFWFLSA-N 2 1 333.476 2.360 20 30 EEEDMP C[NH+]1CCC([NH+]2CCC3(CCC(=O)N(CCCC#N)C3)CC2)CC1 ZINC001273827336 1286537534 /nfs/dbraw/zinc/53/75/34/1286537534.db2.gz QCDPIOWIJTZLOE-UHFFFAOYSA-N 2 1 332.492 2.089 20 30 EEEDMP Cn1cc(C[N@H+]2CCCC3(CCN(CCC#N)CC3)C2)cc1C#N ZINC001277939545 1305204915 /nfs/dbraw/zinc/20/49/15/1305204915.db2.gz WLGBWBGAGKJYRX-UHFFFAOYSA-N 2 1 325.460 2.488 20 30 EEEDMP Cn1cc(C[N@@H+]2CCCC3(CC[NH+](CCC#N)CC3)C2)cc1C#N ZINC001277939545 1305204919 /nfs/dbraw/zinc/20/49/19/1305204919.db2.gz WLGBWBGAGKJYRX-UHFFFAOYSA-N 2 1 325.460 2.488 20 30 EEEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](CCC#N)CC3)C2)cc1C#N ZINC001277939545 1305204927 /nfs/dbraw/zinc/20/49/27/1305204927.db2.gz WLGBWBGAGKJYRX-UHFFFAOYSA-N 2 1 325.460 2.488 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCC(=C)C)C2)CC1 ZINC001072095418 1295236411 /nfs/dbraw/zinc/23/64/11/1295236411.db2.gz HXTFNCGUMIEWOY-PKOBYXMFSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)CCC=C)C[C@H]2C)CC1 ZINC001211307257 1295810794 /nfs/dbraw/zinc/81/07/94/1295810794.db2.gz PYFLPJODHWXGQL-ZIFCJYIRSA-N 2 1 331.504 2.123 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001215543853 1296936017 /nfs/dbraw/zinc/93/60/17/1296936017.db2.gz AJEAMDBWZHTZAO-CRAIPNDOSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1 ZINC001218448930 1297667720 /nfs/dbraw/zinc/66/77/20/1297667720.db2.gz UEFOCOANRVJPJF-GBESFXJTSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001218448930 1297667726 /nfs/dbraw/zinc/66/77/26/1297667726.db2.gz UEFOCOANRVJPJF-GBESFXJTSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001218448930 1297667732 /nfs/dbraw/zinc/66/77/32/1297667732.db2.gz UEFOCOANRVJPJF-GBESFXJTSA-N 2 1 349.519 2.129 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001111465180 1298841281 /nfs/dbraw/zinc/84/12/81/1298841281.db2.gz HLWKMQAZZTZXME-QRVBRYPASA-N 2 1 340.471 2.120 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001111465180 1298841298 /nfs/dbraw/zinc/84/12/98/1298841298.db2.gz HLWKMQAZZTZXME-QRVBRYPASA-N 2 1 340.471 2.120 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001111465180 1298841315 /nfs/dbraw/zinc/84/13/15/1298841315.db2.gz HLWKMQAZZTZXME-QRVBRYPASA-N 2 1 340.471 2.120 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001111465180 1298841330 /nfs/dbraw/zinc/84/13/30/1298841330.db2.gz HLWKMQAZZTZXME-QRVBRYPASA-N 2 1 340.471 2.120 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059298 1300219829 /nfs/dbraw/zinc/21/98/29/1300219829.db2.gz JZRAIAQXELJEAP-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102059298 1300219831 /nfs/dbraw/zinc/21/98/31/1300219831.db2.gz JZRAIAQXELJEAP-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102059298 1300219840 /nfs/dbraw/zinc/21/98/40/1300219840.db2.gz JZRAIAQXELJEAP-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102496184 1301147746 /nfs/dbraw/zinc/14/77/46/1301147746.db2.gz IGAKFGMJXBJMRK-HUUCEWRRSA-N 2 1 348.516 2.146 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102496184 1301147756 /nfs/dbraw/zinc/14/77/56/1301147756.db2.gz IGAKFGMJXBJMRK-HUUCEWRRSA-N 2 1 348.516 2.146 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102496184 1301147761 /nfs/dbraw/zinc/14/77/61/1301147761.db2.gz IGAKFGMJXBJMRK-HUUCEWRRSA-N 2 1 348.516 2.146 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001103271355 1302622279 /nfs/dbraw/zinc/62/22/79/1302622279.db2.gz KHYXJNHQNJGMFL-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001103271355 1302622286 /nfs/dbraw/zinc/62/22/86/1302622286.db2.gz KHYXJNHQNJGMFL-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001103271355 1302622298 /nfs/dbraw/zinc/62/22/98/1302622298.db2.gz KHYXJNHQNJGMFL-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103437214 1302960706 /nfs/dbraw/zinc/96/07/06/1302960706.db2.gz OTIVVZYUURJNFA-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103437214 1302960713 /nfs/dbraw/zinc/96/07/13/1302960713.db2.gz OTIVVZYUURJNFA-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230619425 1303328929 /nfs/dbraw/zinc/32/89/29/1303328929.db2.gz YSJBPZAYNWJKFZ-LJQANCHMSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230619425 1303328938 /nfs/dbraw/zinc/32/89/38/1303328938.db2.gz YSJBPZAYNWJKFZ-LJQANCHMSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230619425 1303328944 /nfs/dbraw/zinc/32/89/44/1303328944.db2.gz YSJBPZAYNWJKFZ-LJQANCHMSA-N 2 1 333.520 2.445 20 30 EEEDMP C(#Cc1ccccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2)c1ccccc1 ZINC001234990432 1305077152 /nfs/dbraw/zinc/07/71/52/1305077152.db2.gz SSXFKEKPWFLRFZ-JOCHJYFZSA-N 2 1 331.463 2.224 20 30 EEEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000799346905 1305234351 /nfs/dbraw/zinc/23/43/51/1305234351.db2.gz TVPPOIUMRNDSTM-INIZCTEOSA-N 2 1 330.476 2.093 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001121289606 1309969856 /nfs/dbraw/zinc/96/98/56/1309969856.db2.gz ZLRUJJJPFPSDMD-NQPFRDSSSA-N 2 1 329.488 2.044 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001246306350 1310276408 /nfs/dbraw/zinc/27/64/08/1310276408.db2.gz WHBXXLPDFASISX-SJORKVTESA-N 3 1 327.513 2.313 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001150386851 1316251685 /nfs/dbraw/zinc/25/16/85/1316251685.db2.gz SQXMASFOZJYSDX-KRWDZBQOSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001150386851 1316251689 /nfs/dbraw/zinc/25/16/89/1316251689.db2.gz SQXMASFOZJYSDX-KRWDZBQOSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150626080 1316320465 /nfs/dbraw/zinc/32/04/65/1316320465.db2.gz SPHXZSRLCHAKHB-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626080 1316320468 /nfs/dbraw/zinc/32/04/68/1316320468.db2.gz SPHXZSRLCHAKHB-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626080 1316320471 /nfs/dbraw/zinc/32/04/71/1316320471.db2.gz SPHXZSRLCHAKHB-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CCc1cnc[nH]1 ZINC001153760073 1316876302 /nfs/dbraw/zinc/87/63/02/1316876302.db2.gz BACIIIAXRFRJLQ-OAHLLOKOSA-N 2 1 339.443 2.241 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CCc1cnc[nH]1 ZINC001153760073 1316876304 /nfs/dbraw/zinc/87/63/04/1316876304.db2.gz BACIIIAXRFRJLQ-OAHLLOKOSA-N 2 1 339.443 2.241 20 30 EEEDMP C=CCOCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001158780625 1319433128 /nfs/dbraw/zinc/43/31/28/1319433128.db2.gz BEHSONUTKSVIBA-GOSISDBHSA-N 2 1 339.524 2.234 20 30 EEEDMP C=CCOCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158780625 1319433136 /nfs/dbraw/zinc/43/31/36/1319433136.db2.gz BEHSONUTKSVIBA-GOSISDBHSA-N 2 1 339.524 2.234 20 30 EEEDMP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158780625 1319433139 /nfs/dbraw/zinc/43/31/39/1319433139.db2.gz BEHSONUTKSVIBA-GOSISDBHSA-N 2 1 339.524 2.234 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160492098 1320175277 /nfs/dbraw/zinc/17/52/77/1320175277.db2.gz MGAAWDJRGRJSAX-UHFFFAOYSA-N 2 1 329.488 2.024 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161621873 1320561395 /nfs/dbraw/zinc/56/13/95/1320561395.db2.gz CHMPSBMGBPAYAR-UHFFFAOYSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CC[C@@H](C)F)CC2)CC1 ZINC001161947107 1320689411 /nfs/dbraw/zinc/68/94/11/1320689411.db2.gz YFQBRARGSMQOTP-QGZVFWFLSA-N 2 1 349.494 2.218 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952706 1320692220 /nfs/dbraw/zinc/69/22/20/1320692220.db2.gz JQFDIVZKPGVTNT-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001165465024 1321530257 /nfs/dbraw/zinc/53/02/57/1321530257.db2.gz QNISMFGGNSPOAZ-GOSISDBHSA-N 2 1 349.519 2.082 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813286 1321965447 /nfs/dbraw/zinc/96/54/47/1321965447.db2.gz CASIOQZPANLYNX-MOPGFXCFSA-N 2 1 339.483 2.159 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813286 1321965448 /nfs/dbraw/zinc/96/54/48/1321965448.db2.gz CASIOQZPANLYNX-MOPGFXCFSA-N 2 1 339.483 2.159 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813290 1321965528 /nfs/dbraw/zinc/96/55/28/1321965528.db2.gz CASIOQZPANLYNX-RBUKOAKNSA-N 2 1 339.483 2.159 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813290 1321965531 /nfs/dbraw/zinc/96/55/31/1321965531.db2.gz CASIOQZPANLYNX-RBUKOAKNSA-N 2 1 339.483 2.159 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001205339685 1322353579 /nfs/dbraw/zinc/35/35/79/1322353579.db2.gz JXDBSBCYWKAWHI-INIZCTEOSA-N 2 1 330.476 2.248 20 30 EEEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCCC[C@@](O)(C[NH3+])C3)cc2)c1 ZINC001205682300 1323243422 /nfs/dbraw/zinc/24/34/22/1323243422.db2.gz RRFOOXKFKCYLMJ-HXUWFJFHSA-N 2 1 336.439 2.296 20 30 EEEDMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2CN(CC(C)(C)C[NH+](C)C)C3)cc1C#N ZINC001276658559 1324991065 /nfs/dbraw/zinc/99/10/65/1324991065.db2.gz QAWSCTRALGCPAT-HDICACEKSA-N 2 1 343.519 2.133 20 30 EEEDMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CN(CC(C)(C)C[NH+](C)C)C3)cc1C#N ZINC001276658559 1324991068 /nfs/dbraw/zinc/99/10/68/1324991068.db2.gz QAWSCTRALGCPAT-HDICACEKSA-N 2 1 343.519 2.133 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209784779 1325047109 /nfs/dbraw/zinc/04/71/09/1325047109.db2.gz WPRXQDQXKLRHAK-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209784779 1325047113 /nfs/dbraw/zinc/04/71/13/1325047113.db2.gz WPRXQDQXKLRHAK-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CC[C@@]1(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CCC[NH2+]1 ZINC001574525021 1343680028 /nfs/dbraw/zinc/68/00/28/1343680028.db2.gz BSKOIBSCLKSKDC-FQEVSTJZSA-N 2 1 325.456 2.407 20 30 EEEDMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])CCCCC#N)sc2C1 ZINC001575697694 1343858586 /nfs/dbraw/zinc/85/85/86/1343858586.db2.gz GRCDPBGXMBNSQK-LBPRGKRZSA-N 2 1 335.477 2.259 20 30 EEEDMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])CCCCC#N)sc2C1 ZINC001575697694 1343858588 /nfs/dbraw/zinc/85/85/88/1343858588.db2.gz GRCDPBGXMBNSQK-LBPRGKRZSA-N 2 1 335.477 2.259 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1F ZINC001647585401 1353336452 /nfs/dbraw/zinc/33/64/52/1353336452.db2.gz KGIMVCKPOHGKDE-MRXNPFEDSA-N 2 1 346.450 2.185 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000838586913 1372853403 /nfs/dbraw/zinc/85/34/03/1372853403.db2.gz JEFJFCPINWBBNU-IEBWSBKVSA-N 2 1 344.503 2.241 20 30 EEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001357572678 1373216844 /nfs/dbraw/zinc/21/68/44/1373216844.db2.gz JRXILPVHCPXHMV-RTBURBONSA-N 2 1 345.487 2.077 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001365952750 1373782814 /nfs/dbraw/zinc/78/28/14/1373782814.db2.gz JWNPWLMVXIRUNQ-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001365952750 1373782816 /nfs/dbraw/zinc/78/28/16/1373782816.db2.gz JWNPWLMVXIRUNQ-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001365952750 1373782823 /nfs/dbraw/zinc/78/28/23/1373782823.db2.gz JWNPWLMVXIRUNQ-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001366221946 1373845056 /nfs/dbraw/zinc/84/50/56/1373845056.db2.gz UROMJTFYHQJIPD-AWEZNQCLSA-N 2 1 346.313 2.208 20 30 EEEDMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001370519337 1374972496 /nfs/dbraw/zinc/97/24/96/1374972496.db2.gz PFFXXBGFBHZOAE-IYARVYRRSA-N 2 1 342.487 2.273 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001375101973 1377370837 /nfs/dbraw/zinc/37/08/37/1377370837.db2.gz KTDHEIILOVBMME-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](C[NH+](C)Cc1ccc(C#N)cc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001375101973 1377370843 /nfs/dbraw/zinc/37/08/43/1377370843.db2.gz KTDHEIILOVBMME-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](C[NH+](C)Cc1ccc(C#N)cc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001375101973 1377370849 /nfs/dbraw/zinc/37/08/49/1377370849.db2.gz KTDHEIILOVBMME-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001375946602 1378191483 /nfs/dbraw/zinc/19/14/83/1378191483.db2.gz MNGAVKMBYDEAQJ-KRWDZBQOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001375946602 1378191488 /nfs/dbraw/zinc/19/14/88/1378191488.db2.gz MNGAVKMBYDEAQJ-KRWDZBQOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001375946602 1378191494 /nfs/dbraw/zinc/19/14/94/1378191494.db2.gz MNGAVKMBYDEAQJ-KRWDZBQOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001375946602 1378191499 /nfs/dbraw/zinc/19/14/99/1378191499.db2.gz MNGAVKMBYDEAQJ-KRWDZBQOSA-N 2 1 327.900 2.442 20 30 EEEDMP C[NH+](C)CCCC(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001377706937 1379463835 /nfs/dbraw/zinc/46/38/35/1379463835.db2.gz OTQOKLPJZYFWHP-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(Br)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001377766322 1379507035 /nfs/dbraw/zinc/50/70/35/1379507035.db2.gz XIWLOIMJJHHXIU-KGLIPLIRSA-N 2 1 346.313 2.016 20 30 EEEDMP C=C(Br)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001377766322 1379507039 /nfs/dbraw/zinc/50/70/39/1379507039.db2.gz XIWLOIMJJHHXIU-KGLIPLIRSA-N 2 1 346.313 2.016 20 30 EEEDMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001390665246 1388723349 /nfs/dbraw/zinc/72/33/49/1388723349.db2.gz OYMJJAUCNIZQJI-AWEZNQCLSA-N 2 1 346.450 2.166 20 30 EEEDMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccc(C#N)cc1 ZINC001390901467 1388861065 /nfs/dbraw/zinc/86/10/65/1388861065.db2.gz TXQRJLOHLPMMSA-LJQANCHMSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1ccc(C#N)cc1 ZINC001390901467 1388861069 /nfs/dbraw/zinc/86/10/69/1388861069.db2.gz TXQRJLOHLPMMSA-LJQANCHMSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001394141941 1390632408 /nfs/dbraw/zinc/63/24/08/1390632408.db2.gz PZZJRKBNEPMNKB-QGZVFWFLSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)Cc2ccc(C#N)s2)CC1 ZINC001394394213 1390684603 /nfs/dbraw/zinc/68/46/03/1390684603.db2.gz FUFCJLIENPSEDV-UHFFFAOYSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2ccc(C#N)s2)CC1 ZINC001394394213 1390684604 /nfs/dbraw/zinc/68/46/04/1390684604.db2.gz FUFCJLIENPSEDV-UHFFFAOYSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)s2)CC1 ZINC001394394213 1390684606 /nfs/dbraw/zinc/68/46/06/1390684606.db2.gz FUFCJLIENPSEDV-UHFFFAOYSA-N 2 1 348.516 2.384 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]21 ZINC001753874983 1406776832 /nfs/dbraw/zinc/77/68/32/1406776832.db2.gz CXOAYORWHKXADS-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@@H]21 ZINC001753874983 1406776837 /nfs/dbraw/zinc/77/68/37/1406776837.db2.gz CXOAYORWHKXADS-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@@H]21 ZINC001753874983 1406776841 /nfs/dbraw/zinc/77/68/41/1406776841.db2.gz CXOAYORWHKXADS-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001402070198 1397746817 /nfs/dbraw/zinc/74/68/17/1397746817.db2.gz JIRBITOVVMAJBF-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP C[N@H+](CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001402077379 1397750499 /nfs/dbraw/zinc/75/04/99/1397750499.db2.gz HJZZIRUQEAETDH-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001402077379 1397750503 /nfs/dbraw/zinc/75/05/03/1397750503.db2.gz HJZZIRUQEAETDH-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001402077379 1397750505 /nfs/dbraw/zinc/75/05/05/1397750505.db2.gz HJZZIRUQEAETDH-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001402077379 1397750507 /nfs/dbraw/zinc/75/05/07/1397750507.db2.gz HJZZIRUQEAETDH-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001402245105 1397894966 /nfs/dbraw/zinc/89/49/66/1397894966.db2.gz NBUDYTNDCOMPJV-OAHLLOKOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001402245105 1397894974 /nfs/dbraw/zinc/89/49/74/1397894974.db2.gz NBUDYTNDCOMPJV-OAHLLOKOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001755075898 1407087874 /nfs/dbraw/zinc/08/78/74/1407087874.db2.gz OVUMTPWGDCVIKJ-LJQANCHMSA-N 2 1 338.455 2.311 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001755075898 1407087877 /nfs/dbraw/zinc/08/78/77/1407087877.db2.gz OVUMTPWGDCVIKJ-LJQANCHMSA-N 2 1 338.455 2.311 20 30 EEEDMP C=C(C)CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001755344358 1407343168 /nfs/dbraw/zinc/34/31/68/1407343168.db2.gz VKVDPLCYGFVHLD-SFHVURJKSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001733905314 1406018607 /nfs/dbraw/zinc/01/86/07/1406018607.db2.gz CJQRPUMQLQBHHK-KNSYAOBUSA-N 2 1 339.483 2.282 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001733905314 1406018618 /nfs/dbraw/zinc/01/86/18/1406018618.db2.gz CJQRPUMQLQBHHK-KNSYAOBUSA-N 2 1 339.483 2.282 20 30 EEEDMP C[C@@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001755655572 1407707701 /nfs/dbraw/zinc/70/77/01/1407707701.db2.gz XSJVXYCHKUZQLR-XLIONFOSSA-N 2 1 339.483 2.101 20 30 EEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+]3CCOCC3)C2)C1 ZINC001121908273 1410251819 /nfs/dbraw/zinc/25/18/19/1410251819.db2.gz ACDQSIVTJVWFID-UHFFFAOYSA-N 2 1 349.519 2.082 20 30 EEEDMP C=CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001075390935 757892530 /nfs/dbraw/zinc/89/25/30/757892530.db2.gz RAZPJPNDXHZZPS-HKUYNNGSSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458274 760844541 /nfs/dbraw/zinc/84/45/41/760844541.db2.gz AGZNUPGCZKEMAF-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458274 760844552 /nfs/dbraw/zinc/84/45/52/760844552.db2.gz AGZNUPGCZKEMAF-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458274 760844564 /nfs/dbraw/zinc/84/45/64/760844564.db2.gz AGZNUPGCZKEMAF-OALUTQOASA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971884 782671437 /nfs/dbraw/zinc/67/14/37/782671437.db2.gz YKJNMFKWJPARPO-KSZLIROESA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971884 782671440 /nfs/dbraw/zinc/67/14/40/782671440.db2.gz YKJNMFKWJPARPO-KSZLIROESA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445848 769294198 /nfs/dbraw/zinc/29/41/98/769294198.db2.gz NBKPDJLZGOONMN-QZTJIDSGSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479061 769671511 /nfs/dbraw/zinc/67/15/11/769671511.db2.gz XKIOZYPIAVKXMQ-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479061 769671520 /nfs/dbraw/zinc/67/15/20/769671520.db2.gz XKIOZYPIAVKXMQ-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479061 769671528 /nfs/dbraw/zinc/67/15/28/769671528.db2.gz XKIOZYPIAVKXMQ-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172934 783035300 /nfs/dbraw/zinc/03/53/00/783035300.db2.gz KONQIFUVMIWTKQ-CVEARBPZSA-N 2 1 328.460 2.118 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172934 783035301 /nfs/dbraw/zinc/03/53/01/783035301.db2.gz KONQIFUVMIWTKQ-CVEARBPZSA-N 2 1 328.460 2.118 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001131696862 783093631 /nfs/dbraw/zinc/09/36/31/783093631.db2.gz BZSWMGQYXLWTHG-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089638422 773643896 /nfs/dbraw/zinc/64/38/96/773643896.db2.gz BRZMOPDRNULBPN-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638422 773643898 /nfs/dbraw/zinc/64/38/98/773643898.db2.gz BRZMOPDRNULBPN-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638422 773643901 /nfs/dbraw/zinc/64/39/01/773643901.db2.gz BRZMOPDRNULBPN-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886663 774010401 /nfs/dbraw/zinc/01/04/01/774010401.db2.gz VQFJAJJUUDTOOD-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027886663 774010406 /nfs/dbraw/zinc/01/04/06/774010406.db2.gz VQFJAJJUUDTOOD-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027886663 774010411 /nfs/dbraw/zinc/01/04/11/774010411.db2.gz VQFJAJJUUDTOOD-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001089660530 774043535 /nfs/dbraw/zinc/04/35/35/774043535.db2.gz KRMCIHYUVNQRGN-SJORKVTESA-N 2 1 342.487 2.076 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980221684 774114579 /nfs/dbraw/zinc/11/45/79/774114579.db2.gz RVXIAKFKQUPFIN-ZCNNSNEGSA-N 2 1 345.531 2.347 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980238261 774171698 /nfs/dbraw/zinc/17/16/98/774171698.db2.gz JAXIOFRSUMBXBK-JYJNAYRXSA-N 2 1 336.867 2.161 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980238261 774171702 /nfs/dbraw/zinc/17/17/02/774171702.db2.gz JAXIOFRSUMBXBK-JYJNAYRXSA-N 2 1 336.867 2.161 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(C)C)C[C@@H]3C2)CC1 ZINC000980251722 774191544 /nfs/dbraw/zinc/19/15/44/774191544.db2.gz GCUIFWIAONSPQL-HSALFYBXSA-N 2 1 345.531 2.204 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCCC3)C2)CC1 ZINC000980477198 774701130 /nfs/dbraw/zinc/70/11/30/774701130.db2.gz CMKVNXYZCUTCBZ-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@H]12 ZINC000991784487 790479179 /nfs/dbraw/zinc/47/91/79/790479179.db2.gz QBMXTOACGFLZKA-HKUYNNGSSA-N 2 1 337.427 2.180 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275241 779478276 /nfs/dbraw/zinc/47/82/76/779478276.db2.gz DWELTQXEEYBQQY-RLLQIKCJSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275241 779478282 /nfs/dbraw/zinc/47/82/82/779478282.db2.gz DWELTQXEEYBQQY-RLLQIKCJSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275241 779478284 /nfs/dbraw/zinc/47/82/84/779478284.db2.gz DWELTQXEEYBQQY-RLLQIKCJSA-N 2 1 331.504 2.053 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088857975 790815264 /nfs/dbraw/zinc/81/52/64/790815264.db2.gz LDMVXQSAPGMIQS-MDZRGWNJSA-N 2 1 340.471 2.122 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088857975 790815271 /nfs/dbraw/zinc/81/52/71/790815271.db2.gz LDMVXQSAPGMIQS-MDZRGWNJSA-N 2 1 340.471 2.122 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088857975 790815280 /nfs/dbraw/zinc/81/52/80/790815280.db2.gz LDMVXQSAPGMIQS-MDZRGWNJSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942172712 781888481 /nfs/dbraw/zinc/88/84/81/781888481.db2.gz MDGGLBBGMHIWGG-GDBMZVCRSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942172712 781888491 /nfs/dbraw/zinc/88/84/91/781888491.db2.gz MDGGLBBGMHIWGG-GDBMZVCRSA-N 2 1 339.911 2.442 20 30 EEEDMP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135584355 784015203 /nfs/dbraw/zinc/01/52/03/784015203.db2.gz MNPBDDLCTPBNNY-JKSUJKDBSA-N 2 1 336.480 2.082 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035207501 784063246 /nfs/dbraw/zinc/06/32/46/784063246.db2.gz YZRNICRLDTZNFV-UHFFFAOYSA-N 2 1 336.867 2.259 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035207501 784063258 /nfs/dbraw/zinc/06/32/58/784063258.db2.gz YZRNICRLDTZNFV-UHFFFAOYSA-N 2 1 336.867 2.259 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035193316 784082597 /nfs/dbraw/zinc/08/25/97/784082597.db2.gz YIMSSDLEPWHKCN-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035193316 784082604 /nfs/dbraw/zinc/08/26/04/784082604.db2.gz YIMSSDLEPWHKCN-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035193316 784082611 /nfs/dbraw/zinc/08/26/11/784082611.db2.gz YIMSSDLEPWHKCN-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135858093 784640978 /nfs/dbraw/zinc/64/09/78/784640978.db2.gz SJTZAOIZMOOYRQ-ROUUACIJSA-N 2 1 329.488 2.253 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1 ZINC000995919490 785818000 /nfs/dbraw/zinc/81/80/00/785818000.db2.gz CPAKXHHKZOPDQX-RBUKOAKNSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1 ZINC000995919490 785818006 /nfs/dbraw/zinc/81/80/06/785818006.db2.gz CPAKXHHKZOPDQX-RBUKOAKNSA-N 2 1 343.515 2.411 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cncc3C)CCC[C@@H]12 ZINC001107473085 787340336 /nfs/dbraw/zinc/34/03/36/787340336.db2.gz ZOQQDPVBZOHRGC-NVXWUHKLSA-N 2 1 336.867 2.305 20 30 EEEDMP C[NH+](C)CCOc1cccc(-c2noc([C@H]([NH3+])CCCC#N)n2)c1 ZINC000822804173 787388543 /nfs/dbraw/zinc/38/85/43/787388543.db2.gz YMLFJTBCDAUHIJ-OAHLLOKOSA-N 2 1 329.404 2.371 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109719039 805902325 /nfs/dbraw/zinc/90/23/25/805902325.db2.gz RYWUORSMRLKLFU-FPAYPSAMSA-N 2 1 342.487 2.442 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109719039 805902332 /nfs/dbraw/zinc/90/23/32/805902332.db2.gz RYWUORSMRLKLFU-FPAYPSAMSA-N 2 1 342.487 2.442 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859476 788824005 /nfs/dbraw/zinc/82/40/05/788824005.db2.gz WQBMCTFVZBAZFQ-VNTMZGSJSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998108868 791987192 /nfs/dbraw/zinc/98/71/92/791987192.db2.gz HDCDNWPWJPYBGR-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998108868 791987201 /nfs/dbraw/zinc/98/72/01/791987201.db2.gz HDCDNWPWJPYBGR-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001148154045 792192996 /nfs/dbraw/zinc/19/29/96/792192996.db2.gz ZLQHJXPHSKVDEH-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001148154045 792193001 /nfs/dbraw/zinc/19/30/01/792193001.db2.gz ZLQHJXPHSKVDEH-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001148285127 792326337 /nfs/dbraw/zinc/32/63/37/792326337.db2.gz NJUUBLLWECSRML-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001148285127 792326345 /nfs/dbraw/zinc/32/63/45/792326345.db2.gz NJUUBLLWECSRML-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611816 792559871 /nfs/dbraw/zinc/55/98/71/792559871.db2.gz OTTIMFVXRAIPKU-UHFFFAOYSA-N 2 1 331.504 2.363 20 30 EEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001110126238 793461993 /nfs/dbraw/zinc/46/19/93/793461993.db2.gz MUOOOCZNPCYPLM-YDZRNGNQSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001110126238 793462001 /nfs/dbraw/zinc/46/20/01/793462001.db2.gz MUOOOCZNPCYPLM-YDZRNGNQSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001110126238 793462004 /nfs/dbraw/zinc/46/20/04/793462004.db2.gz MUOOOCZNPCYPLM-YDZRNGNQSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001110126238 793462007 /nfs/dbraw/zinc/46/20/07/793462007.db2.gz MUOOOCZNPCYPLM-YDZRNGNQSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092069447 793532176 /nfs/dbraw/zinc/53/21/76/793532176.db2.gz NOLNHPQXLLATNH-APWZRJJASA-N 2 1 330.476 2.363 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092069447 793532184 /nfs/dbraw/zinc/53/21/84/793532184.db2.gz NOLNHPQXLLATNH-APWZRJJASA-N 2 1 330.476 2.363 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992297653 793563630 /nfs/dbraw/zinc/56/36/30/793563630.db2.gz JQWOHYJMAUPVAG-QWFCFKBJSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](C/C=C\Cl)CC3)CC1 ZINC000992510257 794455309 /nfs/dbraw/zinc/45/53/09/794455309.db2.gz PFIWIZYAONJPNG-VOQXOGPISA-N 2 1 349.906 2.197 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cccc(F)c1 ZINC001079187501 794467114 /nfs/dbraw/zinc/46/71/14/794467114.db2.gz JRUPGYADLLUDPU-RBUKOAKNSA-N 2 1 345.462 2.380 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1F ZINC001079310750 794600820 /nfs/dbraw/zinc/60/08/20/794600820.db2.gz HZGYBIZPBRUXTL-HHXXYDBFSA-N 2 1 345.462 2.380 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036858721 795507767 /nfs/dbraw/zinc/50/77/67/795507767.db2.gz DBQVBSKZJHOZHJ-RBUKOAKNSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036867590 795610941 /nfs/dbraw/zinc/61/09/41/795610941.db2.gz XEIGPIGHNLBPLJ-WOJBJXKFSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334149 795744085 /nfs/dbraw/zinc/74/40/85/795744085.db2.gz DSXXMDATJPIKTG-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334149 795744090 /nfs/dbraw/zinc/74/40/90/795744090.db2.gz DSXXMDATJPIKTG-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334149 795744096 /nfs/dbraw/zinc/74/40/96/795744096.db2.gz DSXXMDATJPIKTG-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094496545 796289365 /nfs/dbraw/zinc/28/93/65/796289365.db2.gz ALJXMXDZOYTLJB-QWFCFKBJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094496545 796289373 /nfs/dbraw/zinc/28/93/73/796289373.db2.gz ALJXMXDZOYTLJB-QWFCFKBJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094496545 796289377 /nfs/dbraw/zinc/28/93/77/796289377.db2.gz ALJXMXDZOYTLJB-QWFCFKBJSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902500 796440762 /nfs/dbraw/zinc/44/07/62/796440762.db2.gz LLWYTPJILQQRMG-UXHICEINSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@H]21 ZINC001036905709 796450293 /nfs/dbraw/zinc/45/02/93/796450293.db2.gz OBZBLDDDRAJNEB-SJLPKXTDSA-N 2 1 343.471 2.291 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001171757677 796721896 /nfs/dbraw/zinc/72/18/96/796721896.db2.gz MRCCACJDXWXIFS-UHFFFAOYSA-N 2 1 335.879 2.129 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001112560789 806586878 /nfs/dbraw/zinc/58/68/78/806586878.db2.gz PKLGQJZSRZGRIR-ZVDOUQERSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082782689 797693819 /nfs/dbraw/zinc/69/38/19/797693819.db2.gz LIWRIRAZCJRSBP-BMFZPTHFSA-N 2 1 327.900 2.438 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001176846009 798618507 /nfs/dbraw/zinc/61/85/07/798618507.db2.gz XDPPDYDPUROZEF-GASCZTMLSA-N 2 1 346.450 2.166 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001177150050 798775019 /nfs/dbraw/zinc/77/50/19/798775019.db2.gz HBWNPUVNPJHINI-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001177150050 798775022 /nfs/dbraw/zinc/77/50/22/798775022.db2.gz HBWNPUVNPJHINI-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150817880 799580573 /nfs/dbraw/zinc/58/05/73/799580573.db2.gz IMPBBWANQKCQLS-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816829 801361030 /nfs/dbraw/zinc/36/10/30/801361030.db2.gz HHDWILMSGJHMFB-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816829 801361037 /nfs/dbraw/zinc/36/10/37/801361037.db2.gz HHDWILMSGJHMFB-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586765 801483548 /nfs/dbraw/zinc/48/35/48/801483548.db2.gz VTPRMCOFDFIMED-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586765 801483554 /nfs/dbraw/zinc/48/35/54/801483554.db2.gz VTPRMCOFDFIMED-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586765 801483556 /nfs/dbraw/zinc/48/35/56/801483556.db2.gz VTPRMCOFDFIMED-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCC2CCC2)CC1 ZINC001085986649 801839920 /nfs/dbraw/zinc/83/99/20/801839920.db2.gz KBCNGRUVGOCPIF-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001184702128 802137461 /nfs/dbraw/zinc/13/74/61/802137461.db2.gz UFRYVAUSJLOBBC-HOTGVXAUSA-N 2 1 348.491 2.390 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001184822748 802210352 /nfs/dbraw/zinc/21/03/52/802210352.db2.gz VVDQHKVKZUWCPZ-IRXDYDNUSA-N 2 1 344.503 2.412 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004549285 802352305 /nfs/dbraw/zinc/35/23/05/802352305.db2.gz XDSIBZYDUCJLBW-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001004549285 802352314 /nfs/dbraw/zinc/35/23/14/802352314.db2.gz XDSIBZYDUCJLBW-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001004549285 802352325 /nfs/dbraw/zinc/35/23/25/802352325.db2.gz XDSIBZYDUCJLBW-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001108258780 802622610 /nfs/dbraw/zinc/62/26/10/802622610.db2.gz UZGUCPKFTBQUSD-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001108258780 802622611 /nfs/dbraw/zinc/62/26/11/802622611.db2.gz UZGUCPKFTBQUSD-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033159790 802673183 /nfs/dbraw/zinc/67/31/83/802673183.db2.gz AHEJALDHBGIRDY-MOPGFXCFSA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033159790 802673186 /nfs/dbraw/zinc/67/31/86/802673186.db2.gz AHEJALDHBGIRDY-MOPGFXCFSA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033159790 802673190 /nfs/dbraw/zinc/67/31/90/802673190.db2.gz AHEJALDHBGIRDY-MOPGFXCFSA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033159790 802673192 /nfs/dbraw/zinc/67/31/92/802673192.db2.gz AHEJALDHBGIRDY-MOPGFXCFSA-N 2 1 329.488 2.117 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086390368 802877883 /nfs/dbraw/zinc/87/78/83/802877883.db2.gz PMHBRBUCSULNMA-UFYCRDLUSA-N 2 1 343.515 2.459 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086390368 802877890 /nfs/dbraw/zinc/87/78/90/802877890.db2.gz PMHBRBUCSULNMA-UFYCRDLUSA-N 2 1 343.515 2.459 20 30 EEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082502 802955068 /nfs/dbraw/zinc/95/50/68/802955068.db2.gz COMJAPMCJMVINJ-ROUUACIJSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082502 802955071 /nfs/dbraw/zinc/95/50/71/802955071.db2.gz COMJAPMCJMVINJ-ROUUACIJSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082502 802955075 /nfs/dbraw/zinc/95/50/75/802955075.db2.gz COMJAPMCJMVINJ-ROUUACIJSA-N 2 1 339.524 2.016 20 30 EEEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108732799 804418286 /nfs/dbraw/zinc/41/82/86/804418286.db2.gz CQRSEEHLVXLBIY-LNLFQRSKSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001109402281 805413744 /nfs/dbraw/zinc/41/37/44/805413744.db2.gz LVSQNBBXOCZYBV-QZWWFDLISA-N 2 1 328.460 2.448 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001109402281 805413749 /nfs/dbraw/zinc/41/37/49/805413749.db2.gz LVSQNBBXOCZYBV-QZWWFDLISA-N 2 1 328.460 2.448 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001129771198 810994662 /nfs/dbraw/zinc/99/46/62/810994662.db2.gz UABGKDUVYVHZKV-MOPGFXCFSA-N 2 1 343.446 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001129771198 810994666 /nfs/dbraw/zinc/99/46/66/810994666.db2.gz UABGKDUVYVHZKV-MOPGFXCFSA-N 2 1 343.446 2.007 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001129842514 811005456 /nfs/dbraw/zinc/00/54/56/811005456.db2.gz ZIAQNZSHCQUEBO-QGZVFWFLSA-N 2 1 347.890 2.272 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437323973 1089488161 /nfs/dbraw/zinc/48/81/61/1089488161.db2.gz DXTAURZSMRETAI-RTBURBONSA-N 2 1 342.487 2.417 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001439160699 1091804746 /nfs/dbraw/zinc/80/47/46/1091804746.db2.gz CQFTYIKCUNELBV-OAHLLOKOSA-N 2 1 339.443 2.138 20 30 EEEDMP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1cccc(C#N)c1 ZINC001442726525 1097100588 /nfs/dbraw/zinc/10/05/88/1097100588.db2.gz WZNSIIIOHJCPDI-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480379963 1100169406 /nfs/dbraw/zinc/16/94/06/1100169406.db2.gz NYSATULWVPSJHE-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001480379963 1100169410 /nfs/dbraw/zinc/16/94/10/1100169410.db2.gz NYSATULWVPSJHE-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001480379963 1100169415 /nfs/dbraw/zinc/16/94/15/1100169415.db2.gz NYSATULWVPSJHE-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166467 781924196 /nfs/dbraw/zinc/92/41/96/781924196.db2.gz VSTXGSRJRCCZEQ-RBSFLKMASA-N 2 1 347.425 2.273 20 30 EEEDMP CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000329324314 539771866 /nfs/dbraw/zinc/77/18/66/539771866.db2.gz VMKADTQFQFBWLA-CYBMUJFWSA-N 2 1 331.464 2.052 20 30 EEEDMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190609316 152210696 /nfs/dbraw/zinc/21/06/96/152210696.db2.gz ZWIAZPBFZDFTFD-LJQANCHMSA-N 2 1 340.471 2.122 20 30 EEEDMP O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000329015760 465204613 /nfs/dbraw/zinc/20/46/13/465204613.db2.gz QFRMRKCZQGCIQQ-UHFFFAOYSA-N 2 1 331.464 2.172 20 30 EEEDMP CCN(CC)C(=[NH2+])NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000095948318 463112414 /nfs/dbraw/zinc/11/24/14/463112414.db2.gz KYVDRPDOJVXFKS-IYBDPMFKSA-N 2 1 332.492 2.452 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000491327845 468351204 /nfs/dbraw/zinc/35/12/04/468351204.db2.gz YGWWIMSYPMMYLY-PKOBYXMFSA-N 2 1 342.487 2.076 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000491327845 468351211 /nfs/dbraw/zinc/35/12/11/468351211.db2.gz YGWWIMSYPMMYLY-PKOBYXMFSA-N 2 1 342.487 2.076 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000491327845 468351215 /nfs/dbraw/zinc/35/12/15/468351215.db2.gz YGWWIMSYPMMYLY-PKOBYXMFSA-N 2 1 342.487 2.076 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261976751 463916673 /nfs/dbraw/zinc/91/66/73/463916673.db2.gz NWTPJIUYRKNAPQ-HNNXBMFYSA-N 2 1 340.475 2.036 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1)CC[NH+](C)C ZINC000290095575 464107405 /nfs/dbraw/zinc/10/74/05/464107405.db2.gz HIZFLUSZDDMFLY-UHFFFAOYSA-N 2 1 345.535 2.352 20 30 EEEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290753901 464130273 /nfs/dbraw/zinc/13/02/73/464130273.db2.gz YNPGCVBYSPOXNG-SJLPKXTDSA-N 2 1 332.492 2.228 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(c2ccccc2)CC1 ZINC000279957158 464170933 /nfs/dbraw/zinc/17/09/33/464170933.db2.gz IJIGFUNSOVKZAE-LJQANCHMSA-N 2 1 343.519 2.292 20 30 EEEDMP CCc1cccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000264074675 464279989 /nfs/dbraw/zinc/27/99/89/464279989.db2.gz FHXFKWZNZOCMDZ-INIZCTEOSA-N 2 1 331.508 2.249 20 30 EEEDMP CC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264136510 464286611 /nfs/dbraw/zinc/28/66/11/464286611.db2.gz ZVWRQTOTOMRYGB-AEFFLSMTSA-N 2 1 331.508 2.068 20 30 EEEDMP CC[C@@H](C)NC(=[NH2+])NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000264136510 464286615 /nfs/dbraw/zinc/28/66/15/464286615.db2.gz ZVWRQTOTOMRYGB-AEFFLSMTSA-N 2 1 331.508 2.068 20 30 EEEDMP CC[C@@H](C)NC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000264136510 464286620 /nfs/dbraw/zinc/28/66/20/464286620.db2.gz ZVWRQTOTOMRYGB-AEFFLSMTSA-N 2 1 331.508 2.068 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000359218223 465387995 /nfs/dbraw/zinc/38/79/95/465387995.db2.gz DFJUPZCAVJOZQY-SJLPKXTDSA-N 2 1 334.508 2.221 20 30 EEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NC1(C#N)CCC1 ZINC000348407959 465588017 /nfs/dbraw/zinc/58/80/17/465588017.db2.gz XOQAHDSLVWYRDJ-IKGGRYGDSA-N 2 1 334.508 2.428 20 30 EEEDMP N#CCCCOc1cccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000369037596 466711969 /nfs/dbraw/zinc/71/19/69/466711969.db2.gz ZASWGOXVOPHLBD-HKUYNNGSSA-N 2 1 329.444 2.322 20 30 EEEDMP C=CCn1cc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)nn1 ZINC000424292542 467023994 /nfs/dbraw/zinc/02/39/94/467023994.db2.gz GYLXIRHOLUABLH-OAHLLOKOSA-N 2 1 329.448 2.255 20 30 EEEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000591740998 468513429 /nfs/dbraw/zinc/51/34/29/468513429.db2.gz SOGYERHBWOTGOA-SFHVURJKSA-N 2 1 326.444 2.176 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCC#N)C(C)C)CC2)CC1 ZINC000573979224 469240675 /nfs/dbraw/zinc/24/06/75/469240675.db2.gz JQABMIHXGNGFFP-UHFFFAOYSA-N 2 1 334.508 2.333 20 30 EEEDMP C[C@H]([NH2+]C1CCN(CC#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611564136 469280345 /nfs/dbraw/zinc/28/03/45/469280345.db2.gz NGOBTFDOPDCZBB-HKUYNNGSSA-N 2 1 326.488 2.475 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000106331562 526590054 /nfs/dbraw/zinc/59/00/54/526590054.db2.gz UCCBBKOWPGGVKE-SJORKVTESA-N 2 1 336.524 2.447 20 30 EEEDMP CCN(C)c1ccc(C(C)=[NH+]NC(=S)NCCC[NH+](C)C)cc1 ZINC000748075411 577954527 /nfs/dbraw/zinc/95/45/27/577954527.db2.gz ILTGYQYHEAOCMM-UHFFFAOYSA-N 2 1 335.521 2.283 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C)C1 ZINC000969864372 675265644 /nfs/dbraw/zinc/26/56/44/675265644.db2.gz BESXWNLSPWPXNP-XLIONFOSSA-N 2 1 339.483 2.029 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C)C1 ZINC000969864372 675265649 /nfs/dbraw/zinc/26/56/49/675265649.db2.gz BESXWNLSPWPXNP-XLIONFOSSA-N 2 1 339.483 2.029 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159699 675763974 /nfs/dbraw/zinc/76/39/74/675763974.db2.gz WHUDMAZIXHXRFW-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159699 675763976 /nfs/dbraw/zinc/76/39/76/675763976.db2.gz WHUDMAZIXHXRFW-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159699 675763977 /nfs/dbraw/zinc/76/39/77/675763977.db2.gz WHUDMAZIXHXRFW-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970327014 675790484 /nfs/dbraw/zinc/79/04/84/675790484.db2.gz YNYBSMHKGUCXRM-LPHOPBHVSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420227 675867266 /nfs/dbraw/zinc/86/72/66/675867266.db2.gz MREGAZPJPZZHNK-ZBFHGGJFSA-N 2 1 330.476 2.157 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021636396 676291349 /nfs/dbraw/zinc/29/13/49/676291349.db2.gz QFAVFGYTSIGQMN-QFBILLFUSA-N 2 1 336.439 2.284 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371448 679277646 /nfs/dbraw/zinc/27/76/46/679277646.db2.gz ZZHBKFYCXLGAKZ-MOPGFXCFSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023371448 679277647 /nfs/dbraw/zinc/27/76/47/679277647.db2.gz ZZHBKFYCXLGAKZ-MOPGFXCFSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023371448 679277648 /nfs/dbraw/zinc/27/76/48/679277648.db2.gz ZZHBKFYCXLGAKZ-MOPGFXCFSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588693 679397886 /nfs/dbraw/zinc/39/78/86/679397886.db2.gz ITLMKGWNDDIOHW-SFHVURJKSA-N 2 1 329.488 2.419 20 30 EEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001024477117 679950177 /nfs/dbraw/zinc/95/01/77/679950177.db2.gz JCNSGKVBPMHFPI-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001024477117 679950175 /nfs/dbraw/zinc/95/01/75/679950175.db2.gz JCNSGKVBPMHFPI-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3occc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982493039 681282483 /nfs/dbraw/zinc/28/24/83/681282483.db2.gz YJUNKTHIZVSQEF-KDURUIRLSA-N 2 1 331.460 2.311 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3occc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982493039 681282488 /nfs/dbraw/zinc/28/24/88/681282488.db2.gz YJUNKTHIZVSQEF-KDURUIRLSA-N 2 1 331.460 2.311 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024652648 681318269 /nfs/dbraw/zinc/31/82/69/681318269.db2.gz RRHSWETYMSGNBR-LJQANCHMSA-N 2 1 327.472 2.008 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028758950 682121668 /nfs/dbraw/zinc/12/16/68/682121668.db2.gz LKSHWGAAWVIKNJ-CVEARBPZSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001028758950 682121670 /nfs/dbraw/zinc/12/16/70/682121670.db2.gz LKSHWGAAWVIKNJ-CVEARBPZSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028758950 682121673 /nfs/dbraw/zinc/12/16/73/682121673.db2.gz LKSHWGAAWVIKNJ-CVEARBPZSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028758950 682121675 /nfs/dbraw/zinc/12/16/75/682121675.db2.gz LKSHWGAAWVIKNJ-CVEARBPZSA-N 2 1 327.900 2.299 20 30 EEEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000262237151 684636327 /nfs/dbraw/zinc/63/63/27/684636327.db2.gz HKOPJTBWRLQHRU-GOSISDBHSA-N 2 1 330.476 2.259 20 30 EEEDMP C[NH+]=C(NCc1ccc(Cl)cc1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262454244 686123638 /nfs/dbraw/zinc/12/36/38/686123638.db2.gz SMRFNXZJGHFCMN-INIZCTEOSA-N 2 1 340.924 2.442 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029757418 687022354 /nfs/dbraw/zinc/02/23/54/687022354.db2.gz AMWQXQUKXYDAGS-UXHICEINSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029757418 687022360 /nfs/dbraw/zinc/02/23/60/687022360.db2.gz AMWQXQUKXYDAGS-UXHICEINSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029757418 687022364 /nfs/dbraw/zinc/02/23/64/687022364.db2.gz AMWQXQUKXYDAGS-UXHICEINSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029757418 687022369 /nfs/dbraw/zinc/02/23/69/687022369.db2.gz AMWQXQUKXYDAGS-UXHICEINSA-N 2 1 343.515 2.365 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027333502 687519237 /nfs/dbraw/zinc/51/92/37/687519237.db2.gz WXXIRBYFKBPYNC-WMLDXEAASA-N 2 1 346.500 2.137 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000977659810 692889727 /nfs/dbraw/zinc/88/97/27/692889727.db2.gz YETWJJYPAOSMPU-WMZOPIPTSA-N 2 1 333.520 2.204 20 30 EEEDMP N#CCCCN1CC[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272716593 1191977330 /nfs/dbraw/zinc/97/73/30/1191977330.db2.gz IMUPWPIHDGTGCG-IBGZPJMESA-N 2 1 332.492 2.091 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cccc(C#N)c1 ZINC001480979244 1179416091 /nfs/dbraw/zinc/41/60/91/1179416091.db2.gz BLCBJQQGMNDQOO-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccccc1C#N ZINC001482532648 1186536148 /nfs/dbraw/zinc/53/61/48/1186536148.db2.gz HJOCLFAZEXJFON-IBGZPJMESA-N 2 1 342.487 2.273 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001088381418 1186747747 /nfs/dbraw/zinc/74/77/47/1186747747.db2.gz DNJSCTDUUPSDIG-VQIMIIECSA-N 2 1 337.483 2.193 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001105439003 1187121419 /nfs/dbraw/zinc/12/14/19/1187121419.db2.gz VNEQBKVGSAKUOX-RBAQFSTRSA-N 2 1 341.499 2.176 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC4CCCC4)C[C@H]32)CC1 ZINC001076604922 1189036243 /nfs/dbraw/zinc/03/62/43/1189036243.db2.gz YJYVBRCRLCDMNY-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001272671632 1191012425 /nfs/dbraw/zinc/01/24/25/1191012425.db2.gz ARYVRDGKOCVZKY-HXUWFJFHSA-N 2 1 336.439 2.401 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001272671632 1191012427 /nfs/dbraw/zinc/01/24/27/1191012427.db2.gz ARYVRDGKOCVZKY-HXUWFJFHSA-N 2 1 336.439 2.401 20 30 EEEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)CC1 ZINC001273038615 1194343832 /nfs/dbraw/zinc/34/38/32/1194343832.db2.gz HAUUMBINRVZBPN-IBGZPJMESA-N 2 1 332.492 2.089 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417279 1194540004 /nfs/dbraw/zinc/54/00/04/1194540004.db2.gz VVAUXJCSRFGKHU-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033417279 1194540005 /nfs/dbraw/zinc/54/00/05/1194540005.db2.gz VVAUXJCSRFGKHU-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033417279 1194540008 /nfs/dbraw/zinc/54/00/08/1194540008.db2.gz VVAUXJCSRFGKHU-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001005407704 1195409207 /nfs/dbraw/zinc/40/92/07/1195409207.db2.gz QACHVWAMAPEMST-SFHVURJKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001005407704 1195409209 /nfs/dbraw/zinc/40/92/09/1195409209.db2.gz QACHVWAMAPEMST-SFHVURJKSA-N 2 1 345.491 2.289 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCC3CC3)C2)CC1 ZINC001034538857 1196362525 /nfs/dbraw/zinc/36/25/25/1196362525.db2.gz SRGMIFJIVZQKQL-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406641 1199664620 /nfs/dbraw/zinc/66/46/20/1199664620.db2.gz LYNMQKKEVCPBMI-IRXDYDNUSA-N 2 1 337.508 2.033 20 30 EEEDMP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607090 1199698459 /nfs/dbraw/zinc/69/84/59/1199698459.db2.gz DBRNGRRTVYDPGB-ROUUACIJSA-N 2 1 341.499 2.395 20 30 EEEDMP C#Cc1ccc(C[NH+]2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)cc1 ZINC001275132612 1205264573 /nfs/dbraw/zinc/26/45/73/1205264573.db2.gz YQACOIFURHJQQI-UHFFFAOYSA-N 2 1 339.483 2.044 20 30 EEEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001275296297 1205302146 /nfs/dbraw/zinc/30/21/46/1205302146.db2.gz ZAWNVAXLSXLEHH-UHFFFAOYSA-N 2 1 336.443 2.164 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947537140 1208610720 /nfs/dbraw/zinc/61/07/20/1208610720.db2.gz LMZQQXVGOZNHOT-HZPDHXFCSA-N 2 1 339.443 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000948642301 1209268730 /nfs/dbraw/zinc/26/87/30/1209268730.db2.gz FRWZRFYTMTXRAB-IBGZPJMESA-N 2 1 341.499 2.350 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CCO2 ZINC000949204350 1209576161 /nfs/dbraw/zinc/57/61/61/1209576161.db2.gz DGHHAZHPFWRUFX-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000304781401 1216105010 /nfs/dbraw/zinc/10/50/10/1216105010.db2.gz GGHYYSZWICFZHY-HIFRSBDPSA-N 2 1 338.883 2.496 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC000959922797 1216233312 /nfs/dbraw/zinc/23/33/12/1216233312.db2.gz DHYMZGBYCRAUST-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961188430 1217077308 /nfs/dbraw/zinc/07/73/08/1217077308.db2.gz VLLHKNSTQQCHOQ-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961342226 1217150027 /nfs/dbraw/zinc/15/00/27/1217150027.db2.gz QHFFZURGNMHURB-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961342226 1217150029 /nfs/dbraw/zinc/15/00/29/1217150029.db2.gz QHFFZURGNMHURB-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961342226 1217150031 /nfs/dbraw/zinc/15/00/31/1217150031.db2.gz QHFFZURGNMHURB-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432206 1217187572 /nfs/dbraw/zinc/18/75/72/1217187572.db2.gz PNXKDCGAPLERPM-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961432206 1217187574 /nfs/dbraw/zinc/18/75/74/1217187574.db2.gz PNXKDCGAPLERPM-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961432206 1217187577 /nfs/dbraw/zinc/18/75/77/1217187577.db2.gz PNXKDCGAPLERPM-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961440972 1217190910 /nfs/dbraw/zinc/19/09/10/1217190910.db2.gz MCQRQOFUMDXJKW-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000961440972 1217190911 /nfs/dbraw/zinc/19/09/11/1217190911.db2.gz MCQRQOFUMDXJKW-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357214 1217551554 /nfs/dbraw/zinc/55/15/54/1217551554.db2.gz IXGVXPKEDFDCGG-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419417 1221289917 /nfs/dbraw/zinc/28/99/17/1221289917.db2.gz ULWUJRFGNCBEIW-VQIMIIECSA-N 2 1 327.472 2.212 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001016690381 1226783764 /nfs/dbraw/zinc/78/37/64/1226783764.db2.gz KCAXDAFEINMELY-HUUCEWRRSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017838944 1227782847 /nfs/dbraw/zinc/78/28/47/1227782847.db2.gz FWBSVKCBFCEEQD-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001017838944 1227782853 /nfs/dbraw/zinc/78/28/53/1227782853.db2.gz FWBSVKCBFCEEQD-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001017838944 1227782858 /nfs/dbraw/zinc/78/28/58/1227782858.db2.gz FWBSVKCBFCEEQD-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001017838944 1227782865 /nfs/dbraw/zinc/78/28/65/1227782865.db2.gz FWBSVKCBFCEEQD-HSALFYBXSA-N 2 1 343.515 2.482 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001018938542 1228552134 /nfs/dbraw/zinc/55/21/34/1228552134.db2.gz SAZMROCGCJVBCO-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001039132594 1230341229 /nfs/dbraw/zinc/34/12/29/1230341229.db2.gz AQVMKKUDCCHQFZ-OALUTQOASA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CCCF)C2)CC1 ZINC001039132594 1230341236 /nfs/dbraw/zinc/34/12/36/1230341236.db2.gz AQVMKKUDCCHQFZ-OALUTQOASA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CCCF)C2)CC1 ZINC001039132594 1230341241 /nfs/dbraw/zinc/34/12/41/1230341241.db2.gz AQVMKKUDCCHQFZ-OALUTQOASA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CCCF)C2)CC1 ZINC001039132594 1230341247 /nfs/dbraw/zinc/34/12/47/1230341247.db2.gz AQVMKKUDCCHQFZ-OALUTQOASA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001039132593 1230342215 /nfs/dbraw/zinc/34/22/15/1230342215.db2.gz AQVMKKUDCCHQFZ-MOPGFXCFSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CCCF)C2)CC1 ZINC001039132593 1230342218 /nfs/dbraw/zinc/34/22/18/1230342218.db2.gz AQVMKKUDCCHQFZ-MOPGFXCFSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CCCF)C2)CC1 ZINC001039132593 1230342224 /nfs/dbraw/zinc/34/22/24/1230342224.db2.gz AQVMKKUDCCHQFZ-MOPGFXCFSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CCCF)C2)CC1 ZINC001039132593 1230342226 /nfs/dbraw/zinc/34/22/26/1230342226.db2.gz AQVMKKUDCCHQFZ-MOPGFXCFSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137925 1230351445 /nfs/dbraw/zinc/35/14/45/1230351445.db2.gz LBHXBNCMSIONMP-RTBURBONSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137925 1230351451 /nfs/dbraw/zinc/35/14/51/1230351451.db2.gz LBHXBNCMSIONMP-RTBURBONSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137925 1230351453 /nfs/dbraw/zinc/35/14/53/1230351453.db2.gz LBHXBNCMSIONMP-RTBURBONSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039164995 1230387450 /nfs/dbraw/zinc/38/74/50/1230387450.db2.gz JMXNXXJUVZFQKL-HXUWFJFHSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039233241 1230466099 /nfs/dbraw/zinc/46/60/99/1230466099.db2.gz JJEUXDYOKCMTQZ-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039233241 1230466102 /nfs/dbraw/zinc/46/61/02/1230466102.db2.gz JJEUXDYOKCMTQZ-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039233241 1230466104 /nfs/dbraw/zinc/46/61/04/1230466104.db2.gz JJEUXDYOKCMTQZ-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001039411301 1230592213 /nfs/dbraw/zinc/59/22/13/1230592213.db2.gz PJPODOUHOYKOQT-MOPGFXCFSA-N 2 1 339.483 2.103 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240453 1231125461 /nfs/dbraw/zinc/12/54/61/1231125461.db2.gz GHBCPIONBUUNDL-QFBILLFUSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240453 1231125463 /nfs/dbraw/zinc/12/54/63/1231125463.db2.gz GHBCPIONBUUNDL-QFBILLFUSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040261954 1231139694 /nfs/dbraw/zinc/13/96/94/1231139694.db2.gz QRPBISOXWXEKFA-WBVHZDCISA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040261954 1231139696 /nfs/dbraw/zinc/13/96/96/1231139696.db2.gz QRPBISOXWXEKFA-WBVHZDCISA-N 2 1 327.900 2.394 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040280417 1231149676 /nfs/dbraw/zinc/14/96/76/1231149676.db2.gz GXKUCDVCFQOXDF-FQEVSTJZSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329186 1231172883 /nfs/dbraw/zinc/17/28/83/1231172883.db2.gz SADBDWTYJWBXNP-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001040883235 1231395253 /nfs/dbraw/zinc/39/52/53/1231395253.db2.gz LAJMJCWONIWAAT-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041842141 1231725879 /nfs/dbraw/zinc/72/58/79/1231725879.db2.gz BTKZAJYUEYKXCO-NRFANRHFSA-N 2 1 339.483 2.310 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CCC(C)C)C3)C2)CC1 ZINC001041844150 1231727877 /nfs/dbraw/zinc/72/78/77/1231727877.db2.gz DRUMEWKEHMKGPA-OAQYLSRUSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042083005 1231875961 /nfs/dbraw/zinc/87/59/61/1231875961.db2.gz HRNDUWUGYHZSFW-DOTOQJQBSA-N 2 1 345.512 2.369 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042083005 1231875963 /nfs/dbraw/zinc/87/59/63/1231875963.db2.gz HRNDUWUGYHZSFW-DOTOQJQBSA-N 2 1 345.512 2.369 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042305649 1232018409 /nfs/dbraw/zinc/01/84/09/1232018409.db2.gz BYNBCPUKDCFUPM-UYAOXDASSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096019688 1233676717 /nfs/dbraw/zinc/67/67/17/1233676717.db2.gz RYVGXWVYSTYNSH-FPAYPSAMSA-N 2 1 342.487 2.442 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096019688 1233676719 /nfs/dbraw/zinc/67/67/19/1233676719.db2.gz RYVGXWVYSTYNSH-FPAYPSAMSA-N 2 1 342.487 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001045442542 1233748074 /nfs/dbraw/zinc/74/80/74/1233748074.db2.gz XBKCLFRFEJNULF-OAHLLOKOSA-N 2 1 325.884 2.051 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](F)CC)CC1 ZINC001045895891 1234127557 /nfs/dbraw/zinc/12/75/57/1234127557.db2.gz RYXUAUWCHZISMU-QRVBRYPASA-N 2 1 349.494 2.145 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045967564 1234248232 /nfs/dbraw/zinc/24/82/32/1234248232.db2.gz XLQYPZKRGKVCAJ-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045967564 1234248235 /nfs/dbraw/zinc/24/82/35/1234248235.db2.gz XLQYPZKRGKVCAJ-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001046950796 1235346529 /nfs/dbraw/zinc/34/65/29/1235346529.db2.gz LMCFAWYRZCLUJE-CVEARBPZSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001046950796 1235346534 /nfs/dbraw/zinc/34/65/34/1235346534.db2.gz LMCFAWYRZCLUJE-CVEARBPZSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001046950796 1235346539 /nfs/dbraw/zinc/34/65/39/1235346539.db2.gz LMCFAWYRZCLUJE-CVEARBPZSA-N 2 1 343.462 2.366 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)CC1 ZINC001047245154 1235737131 /nfs/dbraw/zinc/73/71/31/1235737131.db2.gz XVVDKGBBHYEGDG-SFHVURJKSA-N 2 1 342.487 2.316 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)CC1 ZINC001047245152 1235737274 /nfs/dbraw/zinc/73/72/74/1235737274.db2.gz XVVDKGBBHYEGDG-GOSISDBHSA-N 2 1 342.487 2.316 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048524831 1237858698 /nfs/dbraw/zinc/85/86/98/1237858698.db2.gz BQAKQTCZFGFNRT-IEWDOMPSSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)C2 ZINC001048524831 1237858712 /nfs/dbraw/zinc/85/87/12/1237858712.db2.gz BQAKQTCZFGFNRT-IEWDOMPSSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)C2 ZINC001048524831 1237858724 /nfs/dbraw/zinc/85/87/24/1237858724.db2.gz BQAKQTCZFGFNRT-IEWDOMPSSA-N 2 1 331.504 2.406 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001048543136 1237923268 /nfs/dbraw/zinc/92/32/68/1237923268.db2.gz NGFCPGVRWBKMMT-VBUUOAMHSA-N 2 1 336.439 2.330 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001001490535 1242373441 /nfs/dbraw/zinc/37/34/41/1242373441.db2.gz ZFTPGWAGXFZXAJ-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001001490535 1242373455 /nfs/dbraw/zinc/37/34/55/1242373455.db2.gz ZFTPGWAGXFZXAJ-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCC2CCC2)CC1 ZINC001001493233 1242379008 /nfs/dbraw/zinc/37/90/08/1242379008.db2.gz XPIJKXHPWKUFFX-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCC2CCC2)CC1 ZINC001001493233 1242379017 /nfs/dbraw/zinc/37/90/17/1242379017.db2.gz XPIJKXHPWKUFFX-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC[C@H](C)F)CC1 ZINC001049909454 1242657610 /nfs/dbraw/zinc/65/76/10/1242657610.db2.gz BGNQRWSOINMKQF-UHOSZYNNSA-N 2 1 349.494 2.145 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257627 1245582831 /nfs/dbraw/zinc/58/28/31/1245582831.db2.gz DHBHFPPBIPQKMF-RYRKJORJSA-N 2 1 325.472 2.023 20 30 EEEDMP C=CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460718 1245858566 /nfs/dbraw/zinc/85/85/66/1245858566.db2.gz UEAKNKCVXFGFGY-GGPKGHCWSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460718 1245858575 /nfs/dbraw/zinc/85/85/75/1245858575.db2.gz UEAKNKCVXFGFGY-GGPKGHCWSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460718 1245858579 /nfs/dbraw/zinc/85/85/79/1245858579.db2.gz UEAKNKCVXFGFGY-GGPKGHCWSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053830026 1246862612 /nfs/dbraw/zinc/86/26/12/1246862612.db2.gz PFIYGYQAGAHMOI-MSOLQXFVSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053830026 1246862624 /nfs/dbraw/zinc/86/26/24/1246862624.db2.gz PFIYGYQAGAHMOI-MSOLQXFVSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)CO2 ZINC001053946244 1247051763 /nfs/dbraw/zinc/05/17/63/1247051763.db2.gz QTMVFVKDKCULDT-QZTJIDSGSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)CO2 ZINC001053946244 1247051775 /nfs/dbraw/zinc/05/17/75/1247051775.db2.gz QTMVFVKDKCULDT-QZTJIDSGSA-N 2 1 349.519 2.175 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054141697 1247504456 /nfs/dbraw/zinc/50/44/56/1247504456.db2.gz NRNREIGVGYMRBV-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141697 1247504466 /nfs/dbraw/zinc/50/44/66/1247504466.db2.gz NRNREIGVGYMRBV-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141697 1247504470 /nfs/dbraw/zinc/50/44/70/1247504470.db2.gz NRNREIGVGYMRBV-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186692 1247658011 /nfs/dbraw/zinc/65/80/11/1247658011.db2.gz ZUCHPRFITKSDNU-FQEVSTJZSA-N 2 1 343.471 2.293 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@H+](CCCC)C3)C2)CC1 ZINC001054244583 1247857122 /nfs/dbraw/zinc/85/71/22/1247857122.db2.gz HLIKRFOBQZDSNO-OAQYLSRUSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001098191548 1257620246 /nfs/dbraw/zinc/62/02/46/1257620246.db2.gz JWSOUOGTFJIDEP-AKHDSKFASA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001098191548 1257620255 /nfs/dbraw/zinc/62/02/55/1257620255.db2.gz JWSOUOGTFJIDEP-AKHDSKFASA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001098191548 1257620262 /nfs/dbraw/zinc/62/02/62/1257620262.db2.gz JWSOUOGTFJIDEP-AKHDSKFASA-N 2 1 331.504 2.386 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099250282 1258035216 /nfs/dbraw/zinc/03/52/16/1258035216.db2.gz FJLGLVSCJOFUSJ-MGPQQGTHSA-N 2 1 333.398 2.024 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001099552529 1258200468 /nfs/dbraw/zinc/20/04/68/1258200468.db2.gz OKSMYVWWFHUMAR-VJANTYMQSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205281 1279798439 /nfs/dbraw/zinc/79/84/39/1279798439.db2.gz JFQWMIOYCOBMSK-YESZJQIVSA-N 2 1 328.460 2.259 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205281 1279798449 /nfs/dbraw/zinc/79/84/49/1279798449.db2.gz JFQWMIOYCOBMSK-YESZJQIVSA-N 2 1 328.460 2.259 20 30 EEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258566 1280760248 /nfs/dbraw/zinc/76/02/48/1280760248.db2.gz KNYJNXPOAXTBBG-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258566 1280760256 /nfs/dbraw/zinc/76/02/56/1280760256.db2.gz KNYJNXPOAXTBBG-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001190258566 1280760262 /nfs/dbraw/zinc/76/02/62/1280760262.db2.gz KNYJNXPOAXTBBG-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001190258566 1280760272 /nfs/dbraw/zinc/76/02/72/1280760272.db2.gz KNYJNXPOAXTBBG-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191383437 1281346552 /nfs/dbraw/zinc/34/65/52/1281346552.db2.gz UPGDKZKOSZCXRQ-INIZCTEOSA-N 2 1 330.476 2.261 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191383437 1281346556 /nfs/dbraw/zinc/34/65/56/1281346556.db2.gz UPGDKZKOSZCXRQ-INIZCTEOSA-N 2 1 330.476 2.261 20 30 EEEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192906922 1282228686 /nfs/dbraw/zinc/22/86/86/1282228686.db2.gz RWFJRBXAQYRQSX-SFHVURJKSA-N 2 1 339.524 2.234 20 30 EEEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192906922 1282228694 /nfs/dbraw/zinc/22/86/94/1282228694.db2.gz RWFJRBXAQYRQSX-SFHVURJKSA-N 2 1 339.524 2.234 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192906922 1282228704 /nfs/dbraw/zinc/22/87/04/1282228704.db2.gz RWFJRBXAQYRQSX-SFHVURJKSA-N 2 1 339.524 2.234 20 30 EEEDMP C#CCC[NH2+][C@@H](CNC(=O)CC[N@H+](C)CCC)c1ccccc1OC ZINC001198969936 1285452219 /nfs/dbraw/zinc/45/22/19/1285452219.db2.gz YYGPLTKPODYNNM-SFHVURJKSA-N 2 1 345.487 2.197 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813420 1296172467 /nfs/dbraw/zinc/17/24/67/1296172467.db2.gz RGTGJUJNUINWBA-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813420 1296172478 /nfs/dbraw/zinc/17/24/78/1296172478.db2.gz RGTGJUJNUINWBA-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000119518218 1296321967 /nfs/dbraw/zinc/32/19/67/1296321967.db2.gz MHNLDQUHAFIFFY-GOSISDBHSA-N 2 1 342.487 2.191 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001215604467 1296947961 /nfs/dbraw/zinc/94/79/61/1296947961.db2.gz CJYYRYVAQMRQKT-RSPOEFSDSA-N 2 1 341.499 2.344 20 30 EEEDMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@](C)(CO[C@H]2C[NH2+]C[C@H]2C#N)O1 ZINC001217831041 1297518289 /nfs/dbraw/zinc/51/82/89/1297518289.db2.gz IRBXIEDEEHUZDF-WSTZPKSXSA-N 2 1 343.471 2.184 20 30 EEEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801630 1297543545 /nfs/dbraw/zinc/54/35/45/1297543545.db2.gz QBOQBEBWAQCKEL-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801630 1297543555 /nfs/dbraw/zinc/54/35/55/1297543555.db2.gz QBOQBEBWAQCKEL-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801630 1297543562 /nfs/dbraw/zinc/54/35/62/1297543562.db2.gz QBOQBEBWAQCKEL-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCC[NH+](C)C)C1 ZINC001099548500 1299209152 /nfs/dbraw/zinc/20/91/52/1299209152.db2.gz WLAZITCKHFITIC-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCCCC)C[C@H]1C ZINC001102055983 1300212680 /nfs/dbraw/zinc/21/26/80/1300212680.db2.gz IEJGFSVHGNIVMI-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCCCC)C[C@H]1C ZINC001102055983 1300212688 /nfs/dbraw/zinc/21/26/88/1300212688.db2.gz IEJGFSVHGNIVMI-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCCCC)C[C@H]1C ZINC001102055983 1300212697 /nfs/dbraw/zinc/21/26/97/1300212697.db2.gz IEJGFSVHGNIVMI-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCCCC)C[C@H]1C ZINC001102055983 1300212710 /nfs/dbraw/zinc/21/27/10/1300212710.db2.gz IEJGFSVHGNIVMI-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102465891 1301109527 /nfs/dbraw/zinc/10/95/27/1301109527.db2.gz AODUPQAXVLZRAO-CZUORRHYSA-N 2 1 338.883 2.408 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102465891 1301109529 /nfs/dbraw/zinc/10/95/29/1301109529.db2.gz AODUPQAXVLZRAO-CZUORRHYSA-N 2 1 338.883 2.408 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001103050163 1302129804 /nfs/dbraw/zinc/12/98/04/1302129804.db2.gz VGTILVAWEDJCKN-BRWVUGGUSA-N 2 1 327.488 2.317 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001111875882 1304039582 /nfs/dbraw/zinc/03/95/82/1304039582.db2.gz JFANGWALUKBJPF-BJLQDIEVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112206067 1304329760 /nfs/dbraw/zinc/32/97/60/1304329760.db2.gz GECZEOOYFVTING-ZIAGYGMSSA-N 2 1 344.381 2.137 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4CC#N)C[C@H]3C2)cn1 ZINC001235519454 1305264601 /nfs/dbraw/zinc/26/46/01/1305264601.db2.gz UBALRLBTRUAHMZ-NHCUHLMSSA-N 2 1 349.482 2.440 20 30 EEEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4CC#N)C[C@H]3C2)cn1 ZINC001235519454 1305264605 /nfs/dbraw/zinc/26/46/05/1305264605.db2.gz UBALRLBTRUAHMZ-NHCUHLMSSA-N 2 1 349.482 2.440 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4CC#N)C[C@H]3C2)cn1 ZINC001235519454 1305264609 /nfs/dbraw/zinc/26/46/09/1305264609.db2.gz UBALRLBTRUAHMZ-NHCUHLMSSA-N 2 1 349.482 2.440 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4CC#N)C[C@H]3C2)cn1 ZINC001235519454 1305264620 /nfs/dbraw/zinc/26/46/20/1305264620.db2.gz UBALRLBTRUAHMZ-NHCUHLMSSA-N 2 1 349.482 2.440 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001246304538 1310276114 /nfs/dbraw/zinc/27/61/14/1310276114.db2.gz DWZHZCSDXUXKNJ-MOPGFXCFSA-N 2 1 345.487 2.077 20 30 EEEDMP N#CC1(c2ccccc2)CCC([N@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246600216 1310353260 /nfs/dbraw/zinc/35/32/60/1310353260.db2.gz FVRRXQZPQFJDJN-UHFFFAOYSA-N 2 1 338.499 2.418 20 30 EEEDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114267 1314812211 /nfs/dbraw/zinc/81/22/11/1314812211.db2.gz MLJJEDPADIAIRP-UHFFFAOYSA-N 2 1 342.443 2.356 20 30 EEEDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114267 1314812215 /nfs/dbraw/zinc/81/22/15/1314812215.db2.gz MLJJEDPADIAIRP-UHFFFAOYSA-N 2 1 342.443 2.356 20 30 EEEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C#N)nc1)C2 ZINC001140542534 1314902449 /nfs/dbraw/zinc/90/24/49/1314902449.db2.gz ASUKKBKCIZZVKX-QUCCMNQESA-N 2 1 340.471 2.134 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149937467 1316096750 /nfs/dbraw/zinc/09/67/50/1316096750.db2.gz SJBRZZOMGOXTQU-SJORKVTESA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149937467 1316096752 /nfs/dbraw/zinc/09/67/52/1316096752.db2.gz SJBRZZOMGOXTQU-SJORKVTESA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149937467 1316096754 /nfs/dbraw/zinc/09/67/54/1316096754.db2.gz SJBRZZOMGOXTQU-SJORKVTESA-N 2 1 339.524 2.279 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824200 1316893692 /nfs/dbraw/zinc/89/36/92/1316893692.db2.gz OTBNYMHASNSZGL-BEFAXECRSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824200 1316893695 /nfs/dbraw/zinc/89/36/95/1316893695.db2.gz OTBNYMHASNSZGL-BEFAXECRSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850905 1316899708 /nfs/dbraw/zinc/89/97/08/1316899708.db2.gz NRPHRNUUTLMLAD-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153850905 1316899710 /nfs/dbraw/zinc/89/97/10/1316899710.db2.gz NRPHRNUUTLMLAD-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153850905 1316899712 /nfs/dbraw/zinc/89/97/12/1316899712.db2.gz NRPHRNUUTLMLAD-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226706 1317510889 /nfs/dbraw/zinc/51/08/89/1317510889.db2.gz NRYNMUBDQCNFBE-RBUKOAKNSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226706 1317510893 /nfs/dbraw/zinc/51/08/93/1317510893.db2.gz NRYNMUBDQCNFBE-RBUKOAKNSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226706 1317510897 /nfs/dbraw/zinc/51/08/97/1317510897.db2.gz NRYNMUBDQCNFBE-RBUKOAKNSA-N 2 1 341.499 2.349 20 30 EEEDMP CCCCCCCC[C@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252129929 1317559330 /nfs/dbraw/zinc/55/93/30/1317559330.db2.gz HEPFAITZRDUAMI-SFHVURJKSA-N 2 1 341.540 2.194 20 30 EEEDMP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942488 1318303903 /nfs/dbraw/zinc/30/39/03/1318303903.db2.gz UTALPDJOPHBUCP-OAHLLOKOSA-N 2 1 339.443 2.090 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942488 1318303913 /nfs/dbraw/zinc/30/39/13/1318303913.db2.gz UTALPDJOPHBUCP-OAHLLOKOSA-N 2 1 339.443 2.090 20 30 EEEDMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001158435105 1319237323 /nfs/dbraw/zinc/23/73/23/1319237323.db2.gz QUKYATNFLGLIOG-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(CCC)cc1 ZINC001160197790 1320097059 /nfs/dbraw/zinc/09/70/59/1320097059.db2.gz GOYLSZYXTWKLCJ-FQEVSTJZSA-N 2 1 341.499 2.333 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(CCC)cc1 ZINC001160197790 1320097063 /nfs/dbraw/zinc/09/70/63/1320097063.db2.gz GOYLSZYXTWKLCJ-FQEVSTJZSA-N 2 1 341.499 2.333 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160568423 1320200888 /nfs/dbraw/zinc/20/08/88/1320200888.db2.gz UXVWYOKCQBQKLD-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568423 1320200893 /nfs/dbraw/zinc/20/08/93/1320200893.db2.gz UXVWYOKCQBQKLD-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568423 1320200896 /nfs/dbraw/zinc/20/08/96/1320200896.db2.gz UXVWYOKCQBQKLD-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP Cc1cnc(NCC[NH+]2CCC([NH3+])CC2)c(C#C[Si](C)(C)C)c1 ZINC001161870126 1320655118 /nfs/dbraw/zinc/65/51/18/1320655118.db2.gz GSBVRGUJDUYAHY-UHFFFAOYSA-N 2 1 330.552 2.454 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001165546189 1321543748 /nfs/dbraw/zinc/54/37/48/1321543748.db2.gz YUDXYZUXEXBCCA-SFHVURJKSA-N 2 1 345.531 2.396 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001165546189 1321543750 /nfs/dbraw/zinc/54/37/50/1321543750.db2.gz YUDXYZUXEXBCCA-SFHVURJKSA-N 2 1 345.531 2.396 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209641277 1324997003 /nfs/dbraw/zinc/99/70/03/1324997003.db2.gz IBLHDTVVVQVNCU-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210146715 1325178476 /nfs/dbraw/zinc/17/84/76/1325178476.db2.gz WCFLGNVIFSSSKH-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001210482028 1325302591 /nfs/dbraw/zinc/30/25/91/1325302591.db2.gz JFGHWXWUMCFMLC-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076305 1337983494 /nfs/dbraw/zinc/98/34/94/1337983494.db2.gz JGZSDCKKFTUXCK-MSOLQXFVSA-N 2 1 341.540 2.240 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200478389 1338356294 /nfs/dbraw/zinc/35/62/94/1338356294.db2.gz ISOCUHFLPGUIAS-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001672392641 1356514250 /nfs/dbraw/zinc/51/42/50/1356514250.db2.gz OXKWPJSIIZEVTD-QGZVFWFLSA-N 2 1 335.879 2.452 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001112382143 1371427013 /nfs/dbraw/zinc/42/70/13/1371427013.db2.gz HTRGBFGJFDNGTE-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100679944 1373118201 /nfs/dbraw/zinc/11/82/01/1373118201.db2.gz WSNUZFLFAGSOEE-JMLCCBQJSA-N 2 1 325.472 2.259 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001371534391 1375487930 /nfs/dbraw/zinc/48/79/30/1375487930.db2.gz NPYYKHQXVBGOOD-KRWDZBQOSA-N 2 1 335.879 2.104 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001375420844 1377719166 /nfs/dbraw/zinc/71/91/66/1377719166.db2.gz LHFDRSZHHZFVDE-CYBMUJFWSA-N 2 1 344.297 2.006 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001375420844 1377719167 /nfs/dbraw/zinc/71/91/67/1377719167.db2.gz LHFDRSZHHZFVDE-CYBMUJFWSA-N 2 1 344.297 2.006 20 30 EEEDMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001390837520 1388812377 /nfs/dbraw/zinc/81/23/77/1388812377.db2.gz LKZDWFMGWQQHKD-UHFFFAOYSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391895162 1389692201 /nfs/dbraw/zinc/69/22/01/1389692201.db2.gz QHCRPONMODYBAN-LPHOPBHVSA-N 2 1 342.487 2.275 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001752913380 1406540450 /nfs/dbraw/zinc/54/04/50/1406540450.db2.gz JLOZLUXTEBPRJI-OAHLLOKOSA-N 2 1 335.879 2.128 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001753039669 1406624711 /nfs/dbraw/zinc/62/47/11/1406624711.db2.gz HSOUOZSSPRCUDT-LJQANCHMSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001399229397 1394853535 /nfs/dbraw/zinc/85/35/35/1394853535.db2.gz BCJIFYDUNHLXJV-CQSZACIVSA-N 2 1 345.834 2.072 20 30 EEEDMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001399873815 1395585647 /nfs/dbraw/zinc/58/56/47/1395585647.db2.gz PMLBYIJQCPEITF-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001399873815 1395585652 /nfs/dbraw/zinc/58/56/52/1395585652.db2.gz PMLBYIJQCPEITF-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001401113093 1396947380 /nfs/dbraw/zinc/94/73/80/1396947380.db2.gz CQNMRFKEBUBWDD-XJKSGUPXSA-N 2 1 327.900 2.488 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001402004393 1397718744 /nfs/dbraw/zinc/71/87/44/1397718744.db2.gz MGVBYEMMTOXZKH-RDJZCZTQSA-N 2 1 345.890 2.343 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001402004393 1397718741 /nfs/dbraw/zinc/71/87/41/1397718741.db2.gz MGVBYEMMTOXZKH-RDJZCZTQSA-N 2 1 345.890 2.343 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001422705271 1400142009 /nfs/dbraw/zinc/14/20/09/1400142009.db2.gz UNTYEBSXUFRUQL-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001422705271 1400142014 /nfs/dbraw/zinc/14/20/14/1400142014.db2.gz UNTYEBSXUFRUQL-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001423389934 1400566638 /nfs/dbraw/zinc/56/66/38/1400566638.db2.gz PXPIWCLVRQRYQL-HUUCEWRRSA-N 2 1 348.516 2.336 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N(C)CC(C)(C)C[NH2+]CC#Cc1ccccc1 ZINC001755289016 1407295049 /nfs/dbraw/zinc/29/50/49/1407295049.db2.gz FLAGREGJBFMLTO-UHFFFAOYSA-N 2 1 343.515 2.454 20 30 EEEDMP C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001755498873 1407542832 /nfs/dbraw/zinc/54/28/32/1407542832.db2.gz PILNNYYLVJQSQY-CKEIUWERSA-N 2 1 348.516 2.334 20 30 EEEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001755573917 1407644027 /nfs/dbraw/zinc/64/40/27/1407644027.db2.gz VHMBCGMSIOMDRH-MOPGFXCFSA-N 2 1 327.472 2.139 20 30 EEEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)c(F)c1 ZINC001755902532 1407978390 /nfs/dbraw/zinc/97/83/90/1407978390.db2.gz JAMZAYVRNOYRMB-SFHVURJKSA-N 2 1 331.435 2.039 20 30 EEEDMP C[N@H+]1CCCN(Cc2ccc(CNC(=[NH2+])NCC3CCC3)cc2)CC1 ZINC000303864806 1409792276 /nfs/dbraw/zinc/79/22/76/1409792276.db2.gz BGFZIWAYVDNBNJ-UHFFFAOYSA-N 2 1 343.519 2.029 20 30 EEEDMP CN1CCC[N@H+](Cc2ccc(CNC(=[NH2+])NCC3CCC3)cc2)CC1 ZINC000303864806 1409792284 /nfs/dbraw/zinc/79/22/84/1409792284.db2.gz BGFZIWAYVDNBNJ-UHFFFAOYSA-N 2 1 343.519 2.029 20 30 EEEDMP CN1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])NCC3CCC3)cc2)CC1 ZINC000303864806 1409792292 /nfs/dbraw/zinc/79/22/92/1409792292.db2.gz BGFZIWAYVDNBNJ-UHFFFAOYSA-N 2 1 343.519 2.029 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001167471908 759728698 /nfs/dbraw/zinc/72/86/98/759728698.db2.gz OLRFDCVMLMEDCF-UHFFFAOYSA-N 2 1 339.443 2.174 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087317603 761614553 /nfs/dbraw/zinc/61/45/53/761614553.db2.gz KMMUSXIJTYXPSZ-KBAYOESNSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087317603 761614555 /nfs/dbraw/zinc/61/45/55/761614555.db2.gz KMMUSXIJTYXPSZ-KBAYOESNSA-N 2 1 330.476 2.373 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104752828 765195877 /nfs/dbraw/zinc/19/58/77/765195877.db2.gz ODKJZPNLRLVAMX-QZTJIDSGSA-N 2 1 344.503 2.494 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@H+]1C)C[C@H](C)O2 ZINC001098611035 765526029 /nfs/dbraw/zinc/52/60/29/765526029.db2.gz VAIAYPLQDYHRBC-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067825 768990784 /nfs/dbraw/zinc/99/07/84/768990784.db2.gz XADBJRYQHZZPFY-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023156 782783050 /nfs/dbraw/zinc/78/30/50/782783050.db2.gz QQLUIVZMCGMBIE-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023156 782783053 /nfs/dbraw/zinc/78/30/53/782783053.db2.gz QQLUIVZMCGMBIE-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023156 782783058 /nfs/dbraw/zinc/78/30/58/782783058.db2.gz QQLUIVZMCGMBIE-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041684 782807560 /nfs/dbraw/zinc/80/75/60/782807560.db2.gz DKDLEEWNRACUCM-ZBFHGGJFSA-N 2 1 344.846 2.481 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041684 782807568 /nfs/dbraw/zinc/80/75/68/782807568.db2.gz DKDLEEWNRACUCM-ZBFHGGJFSA-N 2 1 344.846 2.481 20 30 EEEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997617160 790453826 /nfs/dbraw/zinc/45/38/26/790453826.db2.gz DXBWJAXFWLESSM-QFBILLFUSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CCO2 ZINC000949108614 778505685 /nfs/dbraw/zinc/50/56/85/778505685.db2.gz QVUFPNGLSMYTMK-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116992 779128266 /nfs/dbraw/zinc/12/82/66/779128266.db2.gz WOYHSDCYSYNHGQ-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC[C@@H](C)F)C[C@]2(C)C1 ZINC000982298495 779621353 /nfs/dbraw/zinc/62/13/53/779621353.db2.gz GNJNHOJTMRGWIO-BWPNAZKDSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC[C@@H](C)F)C[C@]2(C)C1 ZINC000982298495 779621356 /nfs/dbraw/zinc/62/13/56/779621356.db2.gz GNJNHOJTMRGWIO-BWPNAZKDSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC[C@@H](C)F)C[C@]2(C)C1 ZINC000982298495 779621359 /nfs/dbraw/zinc/62/13/59/779621359.db2.gz GNJNHOJTMRGWIO-BWPNAZKDSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC[C@@H](C)F)C[C@]2(C)C1 ZINC000982298495 779621361 /nfs/dbraw/zinc/62/13/61/779621361.db2.gz GNJNHOJTMRGWIO-BWPNAZKDSA-N 2 1 349.494 2.003 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396034 781909382 /nfs/dbraw/zinc/90/93/82/781909382.db2.gz HGJOXQOHFLTTHV-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946807900 783534339 /nfs/dbraw/zinc/53/43/39/783534339.db2.gz GHQNHRZYPQGHGU-KDURUIRLSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC3CC3)C2)CC1 ZINC001035195164 784086693 /nfs/dbraw/zinc/08/66/93/784086693.db2.gz PPSMZPHKLVDUTJ-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC3CC3)C2)CC1 ZINC001035195164 784086700 /nfs/dbraw/zinc/08/67/00/784086700.db2.gz PPSMZPHKLVDUTJ-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1 ZINC001035195164 784086705 /nfs/dbraw/zinc/08/67/05/784086705.db2.gz PPSMZPHKLVDUTJ-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC001035195164 784086709 /nfs/dbraw/zinc/08/67/09/784086709.db2.gz PPSMZPHKLVDUTJ-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)CC2 ZINC001035227374 784114920 /nfs/dbraw/zinc/11/49/20/784114920.db2.gz PXYBTCZXYWQKLP-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CC2 ZINC001035227374 784114928 /nfs/dbraw/zinc/11/49/28/784114928.db2.gz PXYBTCZXYWQKLP-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CC2 ZINC001035227374 784114931 /nfs/dbraw/zinc/11/49/31/784114931.db2.gz PXYBTCZXYWQKLP-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217362 784144537 /nfs/dbraw/zinc/14/45/37/784144537.db2.gz RVMVGEBIBMTJSG-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035217362 784144539 /nfs/dbraw/zinc/14/45/39/784144539.db2.gz RVMVGEBIBMTJSG-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035217362 784144545 /nfs/dbraw/zinc/14/45/45/784144545.db2.gz RVMVGEBIBMTJSG-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001035373149 784391970 /nfs/dbraw/zinc/39/19/70/784391970.db2.gz HAFAXYFUHVZKER-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001035373149 784391978 /nfs/dbraw/zinc/39/19/78/784391978.db2.gz HAFAXYFUHVZKER-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001035373149 784391986 /nfs/dbraw/zinc/39/19/86/784391986.db2.gz HAFAXYFUHVZKER-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001035373149 784391993 /nfs/dbraw/zinc/39/19/93/784391993.db2.gz HAFAXYFUHVZKER-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135975862 784924658 /nfs/dbraw/zinc/92/46/58/784924658.db2.gz DQQUNAQKWXTRHU-CABCVRRESA-N 2 1 348.466 2.412 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991502004 789144046 /nfs/dbraw/zinc/14/40/46/789144046.db2.gz JOPAFVDMNHBYPK-UYAOXDASSA-N 2 1 336.439 2.393 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997191292 789412574 /nfs/dbraw/zinc/41/25/74/789412574.db2.gz RAXPHCTZAMYJSP-MJGOQNOKSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001107946818 789708961 /nfs/dbraw/zinc/70/89/61/789708961.db2.gz ZEFNSYFMVVNTJG-LJQANCHMSA-N 2 1 337.508 2.034 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001091100334 789804461 /nfs/dbraw/zinc/80/44/61/789804461.db2.gz QCYIHHWJFHRVIG-PPSBMQLTSA-N 2 1 340.471 2.027 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091805023 793276761 /nfs/dbraw/zinc/27/67/61/793276761.db2.gz ZKRWHBARVXDZOE-UTKZUKDTSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091805023 793276767 /nfs/dbraw/zinc/27/67/67/793276767.db2.gz ZKRWHBARVXDZOE-UTKZUKDTSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091805023 793276775 /nfs/dbraw/zinc/27/67/75/793276775.db2.gz ZKRWHBARVXDZOE-UTKZUKDTSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809340 793281388 /nfs/dbraw/zinc/28/13/88/793281388.db2.gz CHOGOJSLOFUWEP-HBFSDRIKSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809340 793281392 /nfs/dbraw/zinc/28/13/92/793281392.db2.gz CHOGOJSLOFUWEP-HBFSDRIKSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809340 793281399 /nfs/dbraw/zinc/28/13/99/793281399.db2.gz CHOGOJSLOFUWEP-HBFSDRIKSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091957792 793462511 /nfs/dbraw/zinc/46/25/11/793462511.db2.gz UTNYXFPMCJFKPV-HLIPFELVSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091957792 793462518 /nfs/dbraw/zinc/46/25/18/793462518.db2.gz UTNYXFPMCJFKPV-HLIPFELVSA-N 2 1 342.487 2.110 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012958 793505699 /nfs/dbraw/zinc/50/56/99/793505699.db2.gz FDNHWTHBNDHIAR-UXPWSPDFSA-N 2 1 349.494 2.003 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012958 793505705 /nfs/dbraw/zinc/50/57/05/793505705.db2.gz FDNHWTHBNDHIAR-UXPWSPDFSA-N 2 1 349.494 2.003 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012958 793505710 /nfs/dbraw/zinc/50/57/10/793505710.db2.gz FDNHWTHBNDHIAR-UXPWSPDFSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2=CCCCC2)C1 ZINC000998923629 793567484 /nfs/dbraw/zinc/56/74/84/793567484.db2.gz STQTZIFMYJLZKJ-ACBHZAAOSA-N 2 1 329.488 2.163 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2=CCCCC2)C1 ZINC000998923629 793567492 /nfs/dbraw/zinc/56/74/92/793567492.db2.gz STQTZIFMYJLZKJ-ACBHZAAOSA-N 2 1 329.488 2.163 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992374726 793868053 /nfs/dbraw/zinc/86/80/53/793868053.db2.gz YFIXOSCFPHFTKR-ICSRJNTNSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CCN1CC[C@@]2(NC(=O)c3cc(-n4ccnc4)ccn3)CCC[C@H]12 ZINC000992395130 793941062 /nfs/dbraw/zinc/94/10/62/793941062.db2.gz RUTBHYRYIYMNNF-ICSRJNTNSA-N 2 1 349.438 2.017 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092675863 794223426 /nfs/dbraw/zinc/22/34/26/794223426.db2.gz OZKJSTAKZZREAB-ZACQAIPSSA-N 2 1 330.476 2.411 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092675863 794223431 /nfs/dbraw/zinc/22/34/31/794223431.db2.gz OZKJSTAKZZREAB-ZACQAIPSSA-N 2 1 330.476 2.411 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079210871 794460565 /nfs/dbraw/zinc/46/05/65/794460565.db2.gz FTHLCXZFKDYESP-NZSAHSFTSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093085431 794595726 /nfs/dbraw/zinc/59/57/26/794595726.db2.gz ZDDSDRDPAKISRK-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093085431 794595730 /nfs/dbraw/zinc/59/57/30/794595730.db2.gz ZDDSDRDPAKISRK-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030988250 794867096 /nfs/dbraw/zinc/86/70/96/794867096.db2.gz XTQHMMWSCNNVGT-MOPGFXCFSA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030988250 794867103 /nfs/dbraw/zinc/86/71/03/794867103.db2.gz XTQHMMWSCNNVGT-MOPGFXCFSA-N 2 1 327.472 2.098 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001093372616 795104805 /nfs/dbraw/zinc/10/48/05/795104805.db2.gz FZODROCKNDIPEF-OALUTQOASA-N 2 1 345.531 2.299 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700951 795119260 /nfs/dbraw/zinc/11/92/60/795119260.db2.gz QOLSGVFFTQWOMB-ZIFCJYIRSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079700951 795119263 /nfs/dbraw/zinc/11/92/63/795119263.db2.gz QOLSGVFFTQWOMB-ZIFCJYIRSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079700951 795119267 /nfs/dbraw/zinc/11/92/67/795119267.db2.gz QOLSGVFFTQWOMB-ZIFCJYIRSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001093546306 795360603 /nfs/dbraw/zinc/36/06/03/795360603.db2.gz KMKRCNNRAVEBMZ-IBGZPJMESA-N 2 1 349.519 2.129 20 30 EEEDMP C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001079967632 795450840 /nfs/dbraw/zinc/45/08/40/795450840.db2.gz QPAVCBFYWLFDFU-KBRIMQKVSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCCCN1C ZINC001079967632 795450844 /nfs/dbraw/zinc/45/08/44/795450844.db2.gz QPAVCBFYWLFDFU-KBRIMQKVSA-N 2 1 346.500 2.041 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667429 796075169 /nfs/dbraw/zinc/07/51/69/796075169.db2.gz ZRZZAUOPXWJNLA-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433909 796227040 /nfs/dbraw/zinc/22/70/40/796227040.db2.gz ILHSNEPYKIAZNQ-MBOZVWFJSA-N 2 1 340.471 2.145 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433909 796227047 /nfs/dbraw/zinc/22/70/47/796227047.db2.gz ILHSNEPYKIAZNQ-MBOZVWFJSA-N 2 1 340.471 2.145 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433846 796227272 /nfs/dbraw/zinc/22/72/72/796227272.db2.gz GGVXUHSKHJTJSD-MBOZVWFJSA-N 2 1 340.471 2.145 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433846 796227277 /nfs/dbraw/zinc/22/72/77/796227277.db2.gz GGVXUHSKHJTJSD-MBOZVWFJSA-N 2 1 340.471 2.145 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2 ZINC001094436573 796242501 /nfs/dbraw/zinc/24/25/01/796242501.db2.gz WMXJXFDBANDSGH-NLWGTHIKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001094436573 796242506 /nfs/dbraw/zinc/24/25/06/796242506.db2.gz WMXJXFDBANDSGH-NLWGTHIKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(C)C)CC2 ZINC001094436573 796242509 /nfs/dbraw/zinc/24/25/09/796242509.db2.gz WMXJXFDBANDSGH-NLWGTHIKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(C)C)CC2 ZINC001094436573 796242514 /nfs/dbraw/zinc/24/25/14/796242514.db2.gz WMXJXFDBANDSGH-NLWGTHIKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC001094453031 796261626 /nfs/dbraw/zinc/26/16/26/796261626.db2.gz JDKVKPHLRNXTDV-UYAOXDASSA-N 2 1 336.439 2.250 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001081179775 796679371 /nfs/dbraw/zinc/67/93/71/796679371.db2.gz JNQIPLWHYXWMEU-YTQUADARSA-N 2 1 327.472 2.241 20 30 EEEDMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@H](C)CCCC#N)CCC2 ZINC001172493771 797006230 /nfs/dbraw/zinc/00/62/30/797006230.db2.gz CQFXASMPZRWGIG-MRXNPFEDSA-N 2 1 345.491 2.372 20 30 EEEDMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+]([C@H](C)CCCC#N)CCC2 ZINC001172493771 797006236 /nfs/dbraw/zinc/00/62/36/797006236.db2.gz CQFXASMPZRWGIG-MRXNPFEDSA-N 2 1 345.491 2.372 20 30 EEEDMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+]([C@H](C)CCCC#N)CCC2 ZINC001172493771 797006247 /nfs/dbraw/zinc/00/62/47/797006247.db2.gz CQFXASMPZRWGIG-MRXNPFEDSA-N 2 1 345.491 2.372 20 30 EEEDMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@H](C)CCCC#N)CCC2 ZINC001172493771 797006252 /nfs/dbraw/zinc/00/62/52/797006252.db2.gz CQFXASMPZRWGIG-MRXNPFEDSA-N 2 1 345.491 2.372 20 30 EEEDMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H](C)CCCC#N)CCC2 ZINC001172493771 797006257 /nfs/dbraw/zinc/00/62/57/797006257.db2.gz CQFXASMPZRWGIG-MRXNPFEDSA-N 2 1 345.491 2.372 20 30 EEEDMP C[C@H](CCCC#N)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001172496581 797007864 /nfs/dbraw/zinc/00/78/64/797007864.db2.gz OGRPGZNRMIUSKE-CVEARBPZSA-N 2 1 331.464 2.220 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993803911 797031772 /nfs/dbraw/zinc/03/17/72/797031772.db2.gz JVPSOQXACGGVCB-PXNSSMCTSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001094938014 797058879 /nfs/dbraw/zinc/05/88/79/797058879.db2.gz SBCDMOBJOFONDR-DZKIICNBSA-N 2 1 325.884 2.192 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994201170 797401600 /nfs/dbraw/zinc/40/16/00/797401600.db2.gz IAQOWGAPSPMFJZ-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175295527 798051411 /nfs/dbraw/zinc/05/14/11/798051411.db2.gz GMBVBYXKODBRPD-GOSISDBHSA-N 2 1 329.488 2.059 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)C)[C@H]2C)CC1 ZINC000994504677 798104091 /nfs/dbraw/zinc/10/40/91/798104091.db2.gz XWGLXKUVCIZRIK-HKUYNNGSSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545876 798314812 /nfs/dbraw/zinc/31/48/12/798314812.db2.gz WVQGMKPDGJBYKH-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545876 798314819 /nfs/dbraw/zinc/31/48/19/798314819.db2.gz WVQGMKPDGJBYKH-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545876 798314825 /nfs/dbraw/zinc/31/48/25/798314825.db2.gz WVQGMKPDGJBYKH-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101246 798675022 /nfs/dbraw/zinc/67/50/22/798675022.db2.gz YSXYKKUOADCFTL-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085152673 798727646 /nfs/dbraw/zinc/72/76/46/798727646.db2.gz NAXUMYWFSSVQPM-QRVBRYPASA-N 2 1 340.471 2.169 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001177348886 798901591 /nfs/dbraw/zinc/90/15/91/798901591.db2.gz PUKJEBIMWNDESG-LJQANCHMSA-N 2 1 333.520 2.493 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001178045462 799229896 /nfs/dbraw/zinc/22/98/96/799229896.db2.gz MEJZKMVPUCBBIY-LJQANCHMSA-N 2 1 342.487 2.419 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083232 801509316 /nfs/dbraw/zinc/50/93/16/801509316.db2.gz ZINYRSXJDCKIHM-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004540886 802331147 /nfs/dbraw/zinc/33/11/47/802331147.db2.gz USQURRRMDMCPJL-RBUKOAKNSA-N 2 1 333.520 2.299 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC=C(C)C)C[C@H]2CC1 ZINC000946628228 802369743 /nfs/dbraw/zinc/36/97/43/802369743.db2.gz MNENIZYMRIONEZ-ZCNNSNEGSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC=C(C)C)C[C@H]2CC1 ZINC000946628228 802369750 /nfs/dbraw/zinc/36/97/50/802369750.db2.gz MNENIZYMRIONEZ-ZCNNSNEGSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC=C(C)C)C[C@H]2CC1 ZINC000946628228 802369758 /nfs/dbraw/zinc/36/97/58/802369758.db2.gz MNENIZYMRIONEZ-ZCNNSNEGSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC=C(C)C)C[C@H]2CC1 ZINC000946628228 802369765 /nfs/dbraw/zinc/36/97/65/802369765.db2.gz MNENIZYMRIONEZ-ZCNNSNEGSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185235096 802435882 /nfs/dbraw/zinc/43/58/82/802435882.db2.gz MCDOTZJGKGXKPS-ROUUACIJSA-N 2 1 344.503 2.494 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608310 802475512 /nfs/dbraw/zinc/47/55/12/802475512.db2.gz YPMOBVKOAJJMHA-GOSISDBHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004615940 802491303 /nfs/dbraw/zinc/49/13/03/802491303.db2.gz JTECRBNNDYHDFT-GOSISDBHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004615940 802491304 /nfs/dbraw/zinc/49/13/04/802491304.db2.gz JTECRBNNDYHDFT-GOSISDBHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001108283473 803157514 /nfs/dbraw/zinc/15/75/14/803157514.db2.gz DOOCLJLNEVZKEL-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001108283473 803157519 /nfs/dbraw/zinc/15/75/19/803157519.db2.gz DOOCLJLNEVZKEL-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001108283473 803157524 /nfs/dbraw/zinc/15/75/24/803157524.db2.gz DOOCLJLNEVZKEL-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001108405314 803475971 /nfs/dbraw/zinc/47/59/71/803475971.db2.gz YIHPPTKCUJYLLT-LJQANCHMSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086624053 810935543 /nfs/dbraw/zinc/93/55/43/810935543.db2.gz LGYSZEREVHSODR-CEXWTWQISA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086624053 810935548 /nfs/dbraw/zinc/93/55/48/810935548.db2.gz LGYSZEREVHSODR-CEXWTWQISA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086624053 810935553 /nfs/dbraw/zinc/93/55/53/810935553.db2.gz LGYSZEREVHSODR-CEXWTWQISA-N 2 1 327.472 2.098 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438959257 1091651924 /nfs/dbraw/zinc/65/19/24/1091651924.db2.gz HZAZWLFIIZOFNB-MOPGFXCFSA-N 2 1 342.487 2.275 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001442803890 1097185807 /nfs/dbraw/zinc/18/58/07/1097185807.db2.gz XVHICLNIQKNMDT-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001442803890 1097185811 /nfs/dbraw/zinc/18/58/11/1097185811.db2.gz XVHICLNIQKNMDT-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001447635298 1103006868 /nfs/dbraw/zinc/00/68/68/1103006868.db2.gz MZRUXEPLZGEJPA-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001506872352 1114942536 /nfs/dbraw/zinc/94/25/36/1114942536.db2.gz PDZFNKMHKCLENP-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000130927131 205266793 /nfs/dbraw/zinc/26/67/93/205266793.db2.gz QUYKXRQSYXYDMH-AWEZNQCLSA-N 2 1 325.416 2.412 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000130927131 205266795 /nfs/dbraw/zinc/26/67/95/205266795.db2.gz QUYKXRQSYXYDMH-AWEZNQCLSA-N 2 1 325.416 2.412 20 30 EEEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000247246341 160316916 /nfs/dbraw/zinc/31/69/16/160316916.db2.gz ZMRDARHTKBNCOH-MOPGFXCFSA-N 2 1 343.471 2.248 20 30 EEEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000247246341 160316917 /nfs/dbraw/zinc/31/69/17/160316917.db2.gz ZMRDARHTKBNCOH-MOPGFXCFSA-N 2 1 343.471 2.248 20 30 EEEDMP C[C@H]1CC[N@@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000537296591 318015675 /nfs/dbraw/zinc/01/56/75/318015675.db2.gz UWIJYCHWCZNZPY-KRWDZBQOSA-N 2 1 326.488 2.454 20 30 EEEDMP N#Cc1cnn2cc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)cnc12 ZINC000550153412 318447626 /nfs/dbraw/zinc/44/76/26/318447626.db2.gz HXPRXXCDQHUZMW-UHFFFAOYSA-N 2 1 346.438 2.487 20 30 EEEDMP Cc1ccc(NCCC[NH2+]C[C@H](O)COc2ccccc2C#N)[nH+]c1 ZINC000600731811 449521882 /nfs/dbraw/zinc/52/18/82/449521882.db2.gz ZYTFPLKJBWHXRJ-KRWDZBQOSA-N 2 1 340.427 2.093 20 30 EEEDMP C[C@H](Cn1ccnc1)NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000329341318 465305069 /nfs/dbraw/zinc/30/50/69/465305069.db2.gz SAVVNTLROZBZFX-AQFXKWCLSA-N 2 1 333.480 2.382 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000491198690 468320189 /nfs/dbraw/zinc/32/01/89/468320189.db2.gz DRVVEQZPFAJILE-WAYWQWQTSA-N 2 1 347.422 2.357 20 30 EEEDMP C[C@@](C#N)(NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000048562953 462919192 /nfs/dbraw/zinc/91/91/92/462919192.db2.gz WKZRSRIYPDTARP-FQEVSTJZSA-N 2 1 346.519 2.383 20 30 EEEDMP COCC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180050250 464231465 /nfs/dbraw/zinc/23/14/65/464231465.db2.gz UZAAMZWFSLLUED-UHFFFAOYSA-N 2 1 341.459 2.017 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000246327174 464572552 /nfs/dbraw/zinc/57/25/52/464572552.db2.gz HOITWMIOTNHACO-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP COCC[N@@H+](C)CCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266971264 464890363 /nfs/dbraw/zinc/89/03/63/464890363.db2.gz FSKJAJYTGRGLCS-UHFFFAOYSA-N 2 1 346.397 2.078 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000330023899 465509928 /nfs/dbraw/zinc/50/99/28/465509928.db2.gz JHJQHSYZVFGBSU-ZDUSSCGKSA-N 2 1 344.463 2.402 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000330023899 465509935 /nfs/dbraw/zinc/50/99/35/465509935.db2.gz JHJQHSYZVFGBSU-ZDUSSCGKSA-N 2 1 344.463 2.402 20 30 EEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCCC#N ZINC000345834222 465907219 /nfs/dbraw/zinc/90/72/19/465907219.db2.gz DPVGCNAKYUOAKB-UHFFFAOYSA-N 2 1 349.523 2.128 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000490589252 468222110 /nfs/dbraw/zinc/22/21/10/468222110.db2.gz AFNXGALHUUJMMB-ZIFCJYIRSA-N 2 1 331.504 2.195 20 30 EEEDMP C[N@H+](CCN1CC[NH+](CC2(CC#N)CC2)CC1)Cc1ccccc1 ZINC000602775369 469065899 /nfs/dbraw/zinc/06/58/99/469065899.db2.gz JJQIECCDPODPFB-UHFFFAOYSA-N 2 1 326.488 2.430 20 30 EEEDMP C[N@@H+](CCN1CC[NH+](CC2(CC#N)CC2)CC1)Cc1ccccc1 ZINC000602775369 469065905 /nfs/dbraw/zinc/06/59/05/469065905.db2.gz JJQIECCDPODPFB-UHFFFAOYSA-N 2 1 326.488 2.430 20 30 EEEDMP CCN(CCC#N)C(=O)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599661256 469330143 /nfs/dbraw/zinc/33/01/43/469330143.db2.gz RFTDTOAPYAZPNY-UHFFFAOYSA-N 2 1 330.476 2.332 20 30 EEEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000614403312 469932109 /nfs/dbraw/zinc/93/21/09/469932109.db2.gz QZSWNLFAYCWYIS-YLJYHZDGSA-N 2 1 326.488 2.325 20 30 EEEDMP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168021192 782134597 /nfs/dbraw/zinc/13/45/97/782134597.db2.gz CJQJHEFCICIIPV-PMACEKPBSA-N 2 1 339.483 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000742949448 577878146 /nfs/dbraw/zinc/87/81/46/577878146.db2.gz QBTWMUPDKLKQAH-PMACEKPBSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000742949448 577878147 /nfs/dbraw/zinc/87/81/47/577878147.db2.gz QBTWMUPDKLKQAH-PMACEKPBSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000742949448 577878148 /nfs/dbraw/zinc/87/81/48/577878148.db2.gz QBTWMUPDKLKQAH-PMACEKPBSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000742949448 577878149 /nfs/dbraw/zinc/87/81/49/577878149.db2.gz QBTWMUPDKLKQAH-PMACEKPBSA-N 2 1 339.483 2.065 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636051 676290152 /nfs/dbraw/zinc/29/01/52/676290152.db2.gz NIRTVIXVOJVTEY-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636051 676290153 /nfs/dbraw/zinc/29/01/53/676290153.db2.gz NIRTVIXVOJVTEY-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700443 676359640 /nfs/dbraw/zinc/35/96/40/676359640.db2.gz PWZSSBAUASVDEK-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001022220730 676742654 /nfs/dbraw/zinc/74/26/54/676742654.db2.gz MAHBTPBAKHLJCH-KSZLIROESA-N 2 1 345.874 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001022220730 676742655 /nfs/dbraw/zinc/74/26/55/676742655.db2.gz MAHBTPBAKHLJCH-KSZLIROESA-N 2 1 345.874 2.174 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001022221181 676742850 /nfs/dbraw/zinc/74/28/50/676742850.db2.gz ZPKWHGMXLTXLQJ-GNBUJSLZSA-N 2 1 339.483 2.390 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001022221181 676742851 /nfs/dbraw/zinc/74/28/51/676742851.db2.gz ZPKWHGMXLTXLQJ-GNBUJSLZSA-N 2 1 339.483 2.390 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473620 676879628 /nfs/dbraw/zinc/87/96/28/676879628.db2.gz OAEGQJBTFNXCOO-LSDHHAIUSA-N 2 1 334.464 2.285 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473620 676879629 /nfs/dbraw/zinc/87/96/29/676879629.db2.gz OAEGQJBTFNXCOO-LSDHHAIUSA-N 2 1 334.464 2.285 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC000972330077 678551225 /nfs/dbraw/zinc/55/12/25/678551225.db2.gz DFTIKTBMIIYSOZ-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC000972330077 678551226 /nfs/dbraw/zinc/55/12/26/678551226.db2.gz DFTIKTBMIIYSOZ-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC000972330077 678551228 /nfs/dbraw/zinc/55/12/28/678551228.db2.gz DFTIKTBMIIYSOZ-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000972330077 678551230 /nfs/dbraw/zinc/55/12/30/678551230.db2.gz DFTIKTBMIIYSOZ-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000972582544 679350219 /nfs/dbraw/zinc/35/02/19/679350219.db2.gz MBFTWHBMRKWEBE-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000972582544 679350221 /nfs/dbraw/zinc/35/02/21/679350221.db2.gz MBFTWHBMRKWEBE-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000972582544 679350222 /nfs/dbraw/zinc/35/02/22/679350222.db2.gz MBFTWHBMRKWEBE-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000972582544 679350223 /nfs/dbraw/zinc/35/02/23/679350223.db2.gz MBFTWHBMRKWEBE-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024517063 680022201 /nfs/dbraw/zinc/02/22/01/680022201.db2.gz QMBONULZAQPFCS-IAGOWNOFSA-N 2 1 330.476 2.382 20 30 EEEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001024801242 681453561 /nfs/dbraw/zinc/45/35/61/681453561.db2.gz LNMKPDUCBQSIEF-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001024801242 681453563 /nfs/dbraw/zinc/45/35/63/681453563.db2.gz LNMKPDUCBQSIEF-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001024801242 681453566 /nfs/dbraw/zinc/45/35/66/681453566.db2.gz LNMKPDUCBQSIEF-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001024801242 681453569 /nfs/dbraw/zinc/45/35/69/681453569.db2.gz LNMKPDUCBQSIEF-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261958624 682641238 /nfs/dbraw/zinc/64/12/38/682641238.db2.gz JNSFKAPWLYYOAQ-RLFYNMQTSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCC=C)C2)CC1 ZINC001025630812 683168497 /nfs/dbraw/zinc/16/84/97/683168497.db2.gz WSLBGJWGIAFVOT-IEBWSBKVSA-N 2 1 331.504 2.124 20 30 EEEDMP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)c1 ZINC001020240001 683565807 /nfs/dbraw/zinc/56/58/07/683565807.db2.gz QIUSKEOHWXSIMU-KZNAEPCWSA-N 2 1 349.438 2.069 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680803 693938219 /nfs/dbraw/zinc/93/82/19/693938219.db2.gz JQFMOERRLQNAJS-LJQANCHMSA-N 2 1 340.471 2.077 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C(C)(C)C1 ZINC000974877609 685654635 /nfs/dbraw/zinc/65/46/35/685654635.db2.gz DYFJWMFVHFVPFN-SFHVURJKSA-N 2 1 336.439 2.336 20 30 EEEDMP CC#CCN1C[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C(C)(C)C1 ZINC000974877609 685654638 /nfs/dbraw/zinc/65/46/38/685654638.db2.gz DYFJWMFVHFVPFN-SFHVURJKSA-N 2 1 336.439 2.336 20 30 EEEDMP CCC(CC)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000304670894 687011902 /nfs/dbraw/zinc/01/19/02/687011902.db2.gz WOINVGAUJKUISG-UHFFFAOYSA-N 2 1 346.519 2.371 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001027441058 688158295 /nfs/dbraw/zinc/15/82/95/688158295.db2.gz RHXGBJCGFWMSSA-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001027441058 688158301 /nfs/dbraw/zinc/15/83/01/688158301.db2.gz RHXGBJCGFWMSSA-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001027441058 688158304 /nfs/dbraw/zinc/15/83/04/688158304.db2.gz RHXGBJCGFWMSSA-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240284 692050214 /nfs/dbraw/zinc/05/02/14/692050214.db2.gz DXJVNWMVFNWNMS-AZUAARDMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240284 692050217 /nfs/dbraw/zinc/05/02/17/692050217.db2.gz DXJVNWMVFNWNMS-AZUAARDMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240284 692050219 /nfs/dbraw/zinc/05/02/19/692050219.db2.gz DXJVNWMVFNWNMS-AZUAARDMSA-N 2 1 333.520 2.465 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001027461714 692203382 /nfs/dbraw/zinc/20/33/82/692203382.db2.gz NWHHXCLKWZSBRC-RTBURBONSA-N 2 1 342.487 2.321 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC3CC(C)(C)C3)CC2)CC1 ZINC000989734807 692231139 /nfs/dbraw/zinc/23/11/39/692231139.db2.gz DZBACNAUQFBRBA-UHFFFAOYSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCC(C)C)CC2(C)C)CC1 ZINC000977652029 692881060 /nfs/dbraw/zinc/88/10/60/692881060.db2.gz HPIDHIPIOAXAJK-SFHVURJKSA-N 2 1 333.520 2.204 20 30 EEEDMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267320015 1178750130 /nfs/dbraw/zinc/75/01/30/1178750130.db2.gz XSZDWHYSZKSGDV-FQEVSTJZSA-N 2 1 343.515 2.453 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@]23CC[N@@H+](C2)CCC3)CCC1 ZINC001105576853 1188191045 /nfs/dbraw/zinc/19/10/45/1188191045.db2.gz MODRNQYFFADZST-NQIIRXRSSA-N 2 1 343.515 2.247 20 30 EEEDMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272869758 1193585732 /nfs/dbraw/zinc/58/57/32/1193585732.db2.gz BDBGIDUJMJXANV-LJQANCHMSA-N 2 1 334.508 2.335 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001486129139 1193689682 /nfs/dbraw/zinc/68/96/82/1193689682.db2.gz MMYRLVKGXGQIAK-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033775856 1195258119 /nfs/dbraw/zinc/25/81/19/1195258119.db2.gz OHGXRNQBOKTCAF-WMLDXEAASA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033775856 1195258124 /nfs/dbraw/zinc/25/81/24/1195258124.db2.gz OHGXRNQBOKTCAF-WMLDXEAASA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033775856 1195258128 /nfs/dbraw/zinc/25/81/28/1195258128.db2.gz OHGXRNQBOKTCAF-WMLDXEAASA-N 2 1 346.500 2.137 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033775856 1195258132 /nfs/dbraw/zinc/25/81/32/1195258132.db2.gz OHGXRNQBOKTCAF-WMLDXEAASA-N 2 1 346.500 2.137 20 30 EEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001005407703 1195409493 /nfs/dbraw/zinc/40/94/93/1195409493.db2.gz QACHVWAMAPEMST-GOSISDBHSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001005407703 1195409498 /nfs/dbraw/zinc/40/94/98/1195409498.db2.gz QACHVWAMAPEMST-GOSISDBHSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001034005001 1195647686 /nfs/dbraw/zinc/64/76/86/1195647686.db2.gz SVPMAOIIFKAYAR-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034005001 1195647691 /nfs/dbraw/zinc/64/76/91/1195647691.db2.gz SVPMAOIIFKAYAR-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005504513 1195745999 /nfs/dbraw/zinc/74/59/99/1195745999.db2.gz SQVUUDRUWFNSSY-LJQANCHMSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335871 1199584889 /nfs/dbraw/zinc/58/48/89/1199584889.db2.gz VOTFRKHGNNOFPM-SJORKVTESA-N 2 1 330.476 2.389 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335871 1199584894 /nfs/dbraw/zinc/58/48/94/1199584894.db2.gz VOTFRKHGNNOFPM-SJORKVTESA-N 2 1 330.476 2.389 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132425508 1199714896 /nfs/dbraw/zinc/71/48/96/1199714896.db2.gz IXHNVPCQLORLJN-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000948449891 1209145891 /nfs/dbraw/zinc/14/58/91/1209145891.db2.gz XZVLSGSLNMGOOL-YIGKEOEDSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000948449891 1209145892 /nfs/dbraw/zinc/14/58/92/1209145892.db2.gz XZVLSGSLNMGOOL-YIGKEOEDSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC000948449891 1209145894 /nfs/dbraw/zinc/14/58/94/1209145894.db2.gz XZVLSGSLNMGOOL-YIGKEOEDSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC000948449891 1209145895 /nfs/dbraw/zinc/14/58/95/1209145895.db2.gz XZVLSGSLNMGOOL-YIGKEOEDSA-N 2 1 337.895 2.149 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726586 1209329822 /nfs/dbraw/zinc/32/98/22/1209329822.db2.gz VFVSBKAZCQZOHU-QGZVFWFLSA-N 2 1 331.460 2.291 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCN([C@H](CC)c2ccccc2)CC1 ZINC000948825408 1209403851 /nfs/dbraw/zinc/40/38/51/1209403851.db2.gz DIOJWNIYUVOSBH-UXHICEINSA-N 2 1 339.483 2.380 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC000961189239 1217077828 /nfs/dbraw/zinc/07/78/28/1217077828.db2.gz YRYYWKKJOSCCKX-IAGOWNOFSA-N 2 1 330.476 2.479 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961189239 1217077831 /nfs/dbraw/zinc/07/78/31/1217077831.db2.gz YRYYWKKJOSCCKX-IAGOWNOFSA-N 2 1 330.476 2.479 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961189239 1217077834 /nfs/dbraw/zinc/07/78/34/1217077834.db2.gz YRYYWKKJOSCCKX-IAGOWNOFSA-N 2 1 330.476 2.479 20 30 EEEDMP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961243618 1217105833 /nfs/dbraw/zinc/10/58/33/1217105833.db2.gz QAGZYNQSQXHBPD-ROUUACIJSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961243618 1217105835 /nfs/dbraw/zinc/10/58/35/1217105835.db2.gz QAGZYNQSQXHBPD-ROUUACIJSA-N 2 1 342.487 2.200 20 30 EEEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961440145 1217191133 /nfs/dbraw/zinc/19/11/33/1217191133.db2.gz JYTQYOUTYXFJKR-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961440145 1217191135 /nfs/dbraw/zinc/19/11/35/1217191135.db2.gz JYTQYOUTYXFJKR-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961440145 1217191137 /nfs/dbraw/zinc/19/11/37/1217191137.db2.gz JYTQYOUTYXFJKR-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000964185848 1218256430 /nfs/dbraw/zinc/25/64/30/1218256430.db2.gz OWSFLPMOOWZHFE-FHERZECASA-N 2 1 327.900 2.440 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967424645 1220501929 /nfs/dbraw/zinc/50/19/29/1220501929.db2.gz UFENXYMORHDHBI-QFBILLFUSA-N 2 1 329.488 2.417 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326084 1221210593 /nfs/dbraw/zinc/21/05/93/1221210593.db2.gz CRFGNIIIIKQINK-XLIONFOSSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968327899 1221212174 /nfs/dbraw/zinc/21/21/74/1221212174.db2.gz UNTPDGDSQKELSF-CRAIPNDOSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968327899 1221212178 /nfs/dbraw/zinc/21/21/78/1221212178.db2.gz UNTPDGDSQKELSF-CRAIPNDOSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968328302 1221212629 /nfs/dbraw/zinc/21/26/29/1221212629.db2.gz ZYRCDEACGMRVNP-YJBOKZPZSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968328302 1221212631 /nfs/dbraw/zinc/21/26/31/1221212631.db2.gz ZYRCDEACGMRVNP-YJBOKZPZSA-N 2 1 346.475 2.287 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000968956688 1221700619 /nfs/dbraw/zinc/70/06/19/1221700619.db2.gz UGEIGGDPFGNURV-UHOSZYNNSA-N 2 1 325.456 2.036 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000968956688 1221700622 /nfs/dbraw/zinc/70/06/22/1221700622.db2.gz UGEIGGDPFGNURV-UHOSZYNNSA-N 2 1 325.456 2.036 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968990841 1221723629 /nfs/dbraw/zinc/72/36/29/1221723629.db2.gz OQQAWKXPHGCAPV-RBUKOAKNSA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990841 1221723631 /nfs/dbraw/zinc/72/36/31/1221723631.db2.gz OQQAWKXPHGCAPV-RBUKOAKNSA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990841 1221723635 /nfs/dbraw/zinc/72/36/35/1221723635.db2.gz OQQAWKXPHGCAPV-RBUKOAKNSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccsc3)C2)CC1 ZINC001009626100 1223307972 /nfs/dbraw/zinc/30/79/72/1223307972.db2.gz ICZNZENNWSLGGP-GOSISDBHSA-N 2 1 345.512 2.174 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001016655775 1226737065 /nfs/dbraw/zinc/73/70/65/1226737065.db2.gz SVBSZJKQTRITET-HZPDHXFCSA-N 2 1 328.460 2.307 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001016818368 1226901342 /nfs/dbraw/zinc/90/13/42/1226901342.db2.gz CRPZQTGHWFGCTN-AEFFLSMTSA-N 2 1 342.487 2.301 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001039139878 1230354127 /nfs/dbraw/zinc/35/41/27/1230354127.db2.gz MCZLZYNJEFUARS-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139878 1230354133 /nfs/dbraw/zinc/35/41/33/1230354133.db2.gz MCZLZYNJEFUARS-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139878 1230354137 /nfs/dbraw/zinc/35/41/37/1230354137.db2.gz MCZLZYNJEFUARS-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001039152410 1230372056 /nfs/dbraw/zinc/37/20/56/1230372056.db2.gz YTTKCCSFJCWUMH-WOJBJXKFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039152410 1230372057 /nfs/dbraw/zinc/37/20/57/1230372057.db2.gz YTTKCCSFJCWUMH-WOJBJXKFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039152410 1230372063 /nfs/dbraw/zinc/37/20/63/1230372063.db2.gz YTTKCCSFJCWUMH-WOJBJXKFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167604 1230390661 /nfs/dbraw/zinc/39/06/61/1230390661.db2.gz YHQQZSNVHXJPGN-AZUAARDMSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039174246 1230401069 /nfs/dbraw/zinc/40/10/69/1230401069.db2.gz PTNYMBSUMVZFHC-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174246 1230401073 /nfs/dbraw/zinc/40/10/73/1230401073.db2.gz PTNYMBSUMVZFHC-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174246 1230401076 /nfs/dbraw/zinc/40/10/76/1230401076.db2.gz PTNYMBSUMVZFHC-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001039270574 1230501900 /nfs/dbraw/zinc/50/19/00/1230501900.db2.gz MLQBMWHMVSFCQI-WTXIUTQJSA-N 2 1 325.884 2.335 20 30 EEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001039292243 1230512485 /nfs/dbraw/zinc/51/24/85/1230512485.db2.gz INFXMMFFUVVENO-CSNJMZFVSA-N 2 1 342.487 2.442 20 30 EEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)C1 ZINC001040510283 1231269722 /nfs/dbraw/zinc/26/97/22/1231269722.db2.gz NMNBIHIGYHFYSF-PMACEKPBSA-N 2 1 331.504 2.363 20 30 EEEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)C1 ZINC001040510283 1231269724 /nfs/dbraw/zinc/26/97/24/1231269724.db2.gz NMNBIHIGYHFYSF-PMACEKPBSA-N 2 1 331.504 2.363 20 30 EEEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)C1 ZINC001040510283 1231269726 /nfs/dbraw/zinc/26/97/26/1231269726.db2.gz NMNBIHIGYHFYSF-PMACEKPBSA-N 2 1 331.504 2.363 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542458 1231283975 /nfs/dbraw/zinc/28/39/75/1231283975.db2.gz IVRLZFNTMUNDIK-HXUWFJFHSA-N 2 1 331.504 2.200 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545640 1231286572 /nfs/dbraw/zinc/28/65/72/1231286572.db2.gz TWHVRWCJZGACMH-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545640 1231286574 /nfs/dbraw/zinc/28/65/74/1231286574.db2.gz TWHVRWCJZGACMH-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545640 1231286577 /nfs/dbraw/zinc/28/65/77/1231286577.db2.gz TWHVRWCJZGACMH-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)CC1 ZINC001040735584 1231352607 /nfs/dbraw/zinc/35/26/07/1231352607.db2.gz SVNZDHQZXLCEDS-HZPDHXFCSA-N 2 1 328.460 2.404 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040817530 1231378634 /nfs/dbraw/zinc/37/86/34/1231378634.db2.gz SRDLCJJYWUHXBK-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040935607 1231406407 /nfs/dbraw/zinc/40/64/07/1231406407.db2.gz CJMPXDCTCXCFPR-OAHLLOKOSA-N 2 1 325.884 2.005 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001040948697 1231408398 /nfs/dbraw/zinc/40/83/98/1231408398.db2.gz XGDAQHSJBGDARC-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782582 1231691964 /nfs/dbraw/zinc/69/19/64/1231691964.db2.gz AQFGJVQUQRTPPC-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782582 1231691965 /nfs/dbraw/zinc/69/19/65/1231691965.db2.gz AQFGJVQUQRTPPC-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782582 1231691966 /nfs/dbraw/zinc/69/19/66/1231691966.db2.gz AQFGJVQUQRTPPC-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](C[C@H](C)CC)C3)C2)CC1 ZINC001041842709 1231726685 /nfs/dbraw/zinc/72/66/85/1231726685.db2.gz ATOAOEWCQXEDRZ-NQIIRXRSSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC001044792597 1233268785 /nfs/dbraw/zinc/26/87/85/1233268785.db2.gz LPEPUXMFXBZSBF-HOCLYGCPSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001046994746 1235407491 /nfs/dbraw/zinc/40/74/91/1235407491.db2.gz LSBGMRJYJNSSGW-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001046994746 1235407494 /nfs/dbraw/zinc/40/74/94/1235407494.db2.gz LSBGMRJYJNSSGW-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001046994746 1235407495 /nfs/dbraw/zinc/40/74/95/1235407495.db2.gz LSBGMRJYJNSSGW-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047241712 1235728821 /nfs/dbraw/zinc/72/88/21/1235728821.db2.gz SWXRCUJFJUVXKI-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049000764 1239706018 /nfs/dbraw/zinc/70/60/18/1239706018.db2.gz GZINJMVCTOBBMA-YESZJQIVSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049000764 1239706026 /nfs/dbraw/zinc/70/60/26/1239706026.db2.gz GZINJMVCTOBBMA-YESZJQIVSA-N 2 1 339.911 2.251 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC001000173181 1240024134 /nfs/dbraw/zinc/02/41/34/1240024134.db2.gz ATGOURXHVQPOCN-QGZVFWFLSA-N 2 1 340.471 2.145 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001000194161 1240049262 /nfs/dbraw/zinc/04/92/62/1240049262.db2.gz UVZZZYODNCVDOO-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000261556 1240110381 /nfs/dbraw/zinc/11/03/81/1240110381.db2.gz OPGDIHFIIZBDJP-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)CC1 ZINC001000290171 1240136769 /nfs/dbraw/zinc/13/67/69/1240136769.db2.gz OTMYPVVZCQVUKC-RTBURBONSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001000742606 1240836319 /nfs/dbraw/zinc/83/63/19/1240836319.db2.gz ODFSGXXXNIDECD-UHFFFAOYSA-N 2 1 331.485 2.195 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049662911 1241808685 /nfs/dbraw/zinc/80/86/85/1241808685.db2.gz JRTKFOIZMWYTOM-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001049673790 1241842982 /nfs/dbraw/zinc/84/29/82/1241842982.db2.gz ZOBIZPMYFPPRNZ-KBAYOESNSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001049673790 1241842989 /nfs/dbraw/zinc/84/29/89/1241842989.db2.gz ZOBIZPMYFPPRNZ-KBAYOESNSA-N 2 1 328.460 2.005 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001001265389 1241939314 /nfs/dbraw/zinc/93/93/14/1241939314.db2.gz SEDNKVSKGSHZOM-QGZVFWFLSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049768367 1242136050 /nfs/dbraw/zinc/13/60/50/1242136050.db2.gz VYGBVQXXLKKPJP-CEXWTWQISA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=C)Cl)CC1 ZINC001049916253 1242695654 /nfs/dbraw/zinc/69/56/54/1242695654.db2.gz FFBBKQBAWHOGPX-QZTJIDSGSA-N 2 1 349.906 2.149 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=C)Cl)CC1 ZINC001049916253 1242695669 /nfs/dbraw/zinc/69/56/69/1242695669.db2.gz FFBBKQBAWHOGPX-QZTJIDSGSA-N 2 1 349.906 2.149 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605367 1242779709 /nfs/dbraw/zinc/77/97/09/1242779709.db2.gz LMOJPMPRGFEGPC-NEWSRXKRSA-N 2 1 325.456 2.107 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605367 1242779718 /nfs/dbraw/zinc/77/97/18/1242779718.db2.gz LMOJPMPRGFEGPC-NEWSRXKRSA-N 2 1 325.456 2.107 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001050175452 1243045134 /nfs/dbraw/zinc/04/51/34/1243045134.db2.gz RFLXPDXBHTVCHI-RBUKOAKNSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001052710041 1244803381 /nfs/dbraw/zinc/80/33/81/1244803381.db2.gz VMXHKIXXDGQFMD-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001052710041 1244803401 /nfs/dbraw/zinc/80/34/01/1244803401.db2.gz VMXHKIXXDGQFMD-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460719 1245858748 /nfs/dbraw/zinc/85/87/48/1245858748.db2.gz UEAKNKCVXFGFGY-NSHGMRRFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460719 1245858758 /nfs/dbraw/zinc/85/87/58/1245858758.db2.gz UEAKNKCVXFGFGY-NSHGMRRFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460719 1245858769 /nfs/dbraw/zinc/85/87/69/1245858769.db2.gz UEAKNKCVXFGFGY-NSHGMRRFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)CO2 ZINC001053855230 1246915766 /nfs/dbraw/zinc/91/57/66/1246915766.db2.gz IGYGUWKWAWCBQA-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CO2 ZINC001053855230 1246915776 /nfs/dbraw/zinc/91/57/76/1246915776.db2.gz IGYGUWKWAWCBQA-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159238 1247564145 /nfs/dbraw/zinc/56/41/45/1247564145.db2.gz UTFPPAMUIUAVAS-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159238 1247564149 /nfs/dbraw/zinc/56/41/49/1247564149.db2.gz UTFPPAMUIUAVAS-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159238 1247564154 /nfs/dbraw/zinc/56/41/54/1247564154.db2.gz UTFPPAMUIUAVAS-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171301 1247597412 /nfs/dbraw/zinc/59/74/12/1247597412.db2.gz OCPLRKISYYYFHZ-AZUAARDMSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054245056 1247861286 /nfs/dbraw/zinc/86/12/86/1247861286.db2.gz NVSGIDWHEAQVRV-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245056 1247861299 /nfs/dbraw/zinc/86/12/99/1247861299.db2.gz NVSGIDWHEAQVRV-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245056 1247861315 /nfs/dbraw/zinc/86/13/15/1247861315.db2.gz NVSGIDWHEAQVRV-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2C1 ZINC001054278519 1247990137 /nfs/dbraw/zinc/99/01/37/1247990137.db2.gz DOIXGOBCAOGXSP-WMZOPIPTSA-N 2 1 339.483 2.372 20 30 EEEDMP CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2C1 ZINC001054278519 1247990146 /nfs/dbraw/zinc/99/01/46/1247990146.db2.gz DOIXGOBCAOGXSP-WMZOPIPTSA-N 2 1 339.483 2.372 20 30 EEEDMP CC#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2C1 ZINC001054278519 1247990152 /nfs/dbraw/zinc/99/01/52/1247990152.db2.gz DOIXGOBCAOGXSP-WMZOPIPTSA-N 2 1 339.483 2.372 20 30 EEEDMP CC#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2C1 ZINC001054278519 1247990159 /nfs/dbraw/zinc/99/01/59/1247990159.db2.gz DOIXGOBCAOGXSP-WMZOPIPTSA-N 2 1 339.483 2.372 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099240566 1258029019 /nfs/dbraw/zinc/02/90/19/1258029019.db2.gz SKFHNFQWUWIVDN-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099240566 1258029027 /nfs/dbraw/zinc/02/90/27/1258029027.db2.gz SKFHNFQWUWIVDN-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001099240566 1258029038 /nfs/dbraw/zinc/02/90/38/1258029038.db2.gz SKFHNFQWUWIVDN-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001099553711 1258202802 /nfs/dbraw/zinc/20/28/02/1258202802.db2.gz VSEIJVIYHUVJHD-OKYOBFRVSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099556030 1258205821 /nfs/dbraw/zinc/20/58/21/1258205821.db2.gz FCTMUSRIGUSOBX-OKYOBFRVSA-N 2 1 333.520 2.462 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556030 1258205826 /nfs/dbraw/zinc/20/58/26/1258205826.db2.gz FCTMUSRIGUSOBX-OKYOBFRVSA-N 2 1 333.520 2.462 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556030 1258205832 /nfs/dbraw/zinc/20/58/32/1258205832.db2.gz FCTMUSRIGUSOBX-OKYOBFRVSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001099597653 1258246277 /nfs/dbraw/zinc/24/62/77/1258246277.db2.gz ZDZILSYEUMLVLH-GOSISDBHSA-N 2 1 349.519 2.036 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773980 1278019357 /nfs/dbraw/zinc/01/93/57/1278019357.db2.gz SNZZBWJNYXVSFY-STQMWFEESA-N 2 1 348.329 2.498 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664307 1279955120 /nfs/dbraw/zinc/95/51/20/1279955120.db2.gz LKHPZRJYQUIAOW-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664307 1279955122 /nfs/dbraw/zinc/95/51/22/1279955122.db2.gz LKHPZRJYQUIAOW-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664307 1279955123 /nfs/dbraw/zinc/95/51/23/1279955123.db2.gz LKHPZRJYQUIAOW-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258601 1280760157 /nfs/dbraw/zinc/76/01/57/1280760157.db2.gz LEUKNBXSFVYGRI-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258601 1280760168 /nfs/dbraw/zinc/76/01/68/1280760168.db2.gz LEUKNBXSFVYGRI-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001190258601 1280760180 /nfs/dbraw/zinc/76/01/80/1280760180.db2.gz LEUKNBXSFVYGRI-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001190258601 1280760192 /nfs/dbraw/zinc/76/01/92/1280760192.db2.gz LEUKNBXSFVYGRI-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001192407209 1281977048 /nfs/dbraw/zinc/97/70/48/1281977048.db2.gz SPNHPWDGKNCTCE-IBGZPJMESA-N 2 1 329.488 2.270 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192407209 1281977049 /nfs/dbraw/zinc/97/70/49/1281977049.db2.gz SPNHPWDGKNCTCE-IBGZPJMESA-N 2 1 329.488 2.270 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192407209 1281977050 /nfs/dbraw/zinc/97/70/50/1281977050.db2.gz SPNHPWDGKNCTCE-IBGZPJMESA-N 2 1 329.488 2.270 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916668 1282234742 /nfs/dbraw/zinc/23/47/42/1282234742.db2.gz BKDITQFOHWNETK-ZWKOTPCHSA-N 2 1 339.524 2.088 20 30 EEEDMP C[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CC[NH+](CC(C)C)CC1 ZINC000121586336 1289611132 /nfs/dbraw/zinc/61/11/32/1289611132.db2.gz AJPHXBKTCONTMB-CQSZACIVSA-N 2 1 335.496 2.244 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268035 1295788479 /nfs/dbraw/zinc/78/84/79/1295788479.db2.gz GDUHQUIENITCJS-RTBURBONSA-N 2 1 345.487 2.073 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001211269349 1295790912 /nfs/dbraw/zinc/79/09/12/1295790912.db2.gz PYJIDUZKBGKSKI-QGZVFWFLSA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001213336274 1295984010 /nfs/dbraw/zinc/98/40/10/1295984010.db2.gz URXOPJHCXLJYSB-USXIJHARSA-N 2 1 349.475 2.125 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001213336274 1295984013 /nfs/dbraw/zinc/98/40/13/1295984013.db2.gz URXOPJHCXLJYSB-USXIJHARSA-N 2 1 349.475 2.125 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2 ZINC001072822445 1296183466 /nfs/dbraw/zinc/18/34/66/1296183466.db2.gz HBDPHNKOEBWERG-KRWDZBQOSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2 ZINC001072822445 1296183470 /nfs/dbraw/zinc/18/34/70/1296183470.db2.gz HBDPHNKOEBWERG-KRWDZBQOSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001072822445 1296183474 /nfs/dbraw/zinc/18/34/74/1296183474.db2.gz HBDPHNKOEBWERG-KRWDZBQOSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001072822445 1296183476 /nfs/dbraw/zinc/18/34/76/1296183476.db2.gz HBDPHNKOEBWERG-KRWDZBQOSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073634455 1297332588 /nfs/dbraw/zinc/33/25/88/1297332588.db2.gz SFLOMLFZJFHAMI-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001073634455 1297332599 /nfs/dbraw/zinc/33/25/99/1297332599.db2.gz SFLOMLFZJFHAMI-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001073634455 1297332613 /nfs/dbraw/zinc/33/26/13/1297332613.db2.gz SFLOMLFZJFHAMI-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052226 1297919277 /nfs/dbraw/zinc/91/92/77/1297919277.db2.gz NESLKXUEGDUNDP-CEXWTWQISA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001074414721 1298104589 /nfs/dbraw/zinc/10/45/89/1298104589.db2.gz DGYUZGVJMRUARV-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001074414721 1298104594 /nfs/dbraw/zinc/10/45/94/1298104594.db2.gz DGYUZGVJMRUARV-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1ccnc1 ZINC001099358610 1299090211 /nfs/dbraw/zinc/09/02/11/1299090211.db2.gz IZBVFVCQOZYVMH-QGZVFWFLSA-N 2 1 330.476 2.293 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225591033 1301077012 /nfs/dbraw/zinc/07/70/12/1301077012.db2.gz LHWKXCINFOWSKS-IBGZPJMESA-N 2 1 327.472 2.141 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102473752 1301117964 /nfs/dbraw/zinc/11/79/64/1301117964.db2.gz NSXYUDJXSUGAGE-HUUCEWRRSA-N 2 1 348.516 2.146 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102495854 1301145545 /nfs/dbraw/zinc/14/55/45/1301145545.db2.gz QLCJSSVOGUIVNT-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102495854 1301145548 /nfs/dbraw/zinc/14/55/48/1301145548.db2.gz QLCJSSVOGUIVNT-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102495854 1301145554 /nfs/dbraw/zinc/14/55/54/1301145554.db2.gz QLCJSSVOGUIVNT-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226889699 1301596135 /nfs/dbraw/zinc/59/61/35/1301596135.db2.gz AMFJFTFYDLUXLH-RCCFBDPRSA-N 2 1 337.508 2.080 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001228611103 1302336979 /nfs/dbraw/zinc/33/69/79/1302336979.db2.gz RMTOAMCQUXBEMA-IAGOWNOFSA-N 2 1 346.475 2.477 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174551 1302386835 /nfs/dbraw/zinc/38/68/35/1302386835.db2.gz RQGLCBFRVBQUJM-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174551 1302386846 /nfs/dbraw/zinc/38/68/46/1302386846.db2.gz RQGLCBFRVBQUJM-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174551 1302386859 /nfs/dbraw/zinc/38/68/59/1302386859.db2.gz RQGLCBFRVBQUJM-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001230571432 1303284346 /nfs/dbraw/zinc/28/43/46/1303284346.db2.gz DOMXGRKJULNGSZ-ROUUACIJSA-N 2 1 337.483 2.003 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001104213559 1303652688 /nfs/dbraw/zinc/65/26/88/1303652688.db2.gz DUYPHAWAXOTOQZ-FGTMMUONSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001112441417 1304551886 /nfs/dbraw/zinc/55/18/86/1304551886.db2.gz YQEMUHIDIPLKJF-UWJYYQICSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001234435420 1304921503 /nfs/dbraw/zinc/92/15/03/1304921503.db2.gz HBVAQGCMOPYWOM-QGZVFWFLSA-N 2 1 330.476 2.261 20 30 EEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001236037703 1305479716 /nfs/dbraw/zinc/47/97/16/1305479716.db2.gz BSZCYZZMDCMENH-YLJYHZDGSA-N 2 1 344.455 2.226 20 30 EEEDMP C=CCOc1ccccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001236037703 1305479723 /nfs/dbraw/zinc/47/97/23/1305479723.db2.gz BSZCYZZMDCMENH-YLJYHZDGSA-N 2 1 344.455 2.226 20 30 EEEDMP C#CCN(CC1CC1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001118312791 1306342463 /nfs/dbraw/zinc/34/24/63/1306342463.db2.gz KTAJRVPAPTZIBF-UHFFFAOYSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001149974583 1316111790 /nfs/dbraw/zinc/11/17/90/1316111790.db2.gz NVMULJNYRXTIKN-GOSISDBHSA-N 2 1 342.443 2.121 20 30 EEEDMP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)[NH+]1CCCC1 ZINC001152470530 1316676549 /nfs/dbraw/zinc/67/65/49/1316676549.db2.gz CUULHMXZQDHLFD-SFHVURJKSA-N 2 1 346.450 2.024 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(F)c1 ZINC001153867625 1316904682 /nfs/dbraw/zinc/90/46/82/1316904682.db2.gz BSCKLOFFVJQVHG-APWZRJJASA-N 2 1 345.462 2.250 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(F)c1 ZINC001153867625 1316904684 /nfs/dbraw/zinc/90/46/84/1316904684.db2.gz BSCKLOFFVJQVHG-APWZRJJASA-N 2 1 345.462 2.250 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(F)c1 ZINC001153867625 1316904685 /nfs/dbraw/zinc/90/46/85/1316904685.db2.gz BSCKLOFFVJQVHG-APWZRJJASA-N 2 1 345.462 2.250 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(F)c1 ZINC001153867625 1316904687 /nfs/dbraw/zinc/90/46/87/1316904687.db2.gz BSCKLOFFVJQVHG-APWZRJJASA-N 2 1 345.462 2.250 20 30 EEEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001252471962 1317610691 /nfs/dbraw/zinc/61/06/91/1317610691.db2.gz LFIBXELGMXZCOY-NJDAHSKKSA-N 2 1 344.499 2.394 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001252471962 1317610694 /nfs/dbraw/zinc/61/06/94/1317610694.db2.gz LFIBXELGMXZCOY-NJDAHSKKSA-N 2 1 344.499 2.394 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001252471962 1317610700 /nfs/dbraw/zinc/61/07/00/1317610700.db2.gz LFIBXELGMXZCOY-NJDAHSKKSA-N 2 1 344.499 2.394 20 30 EEEDMP N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001254664635 1318161303 /nfs/dbraw/zinc/16/13/03/1318161303.db2.gz IXDYVLLFWFJNEI-IAGOWNOFSA-N 2 1 327.476 2.419 20 30 EEEDMP C[NH+]1CCC(C[NH+]2CCN(c3ncc(C#N)cc3Cl)CC2)CC1 ZINC001157836818 1318897931 /nfs/dbraw/zinc/89/79/31/1318897931.db2.gz NSQXTMVUSZZCQG-UHFFFAOYSA-N 2 1 333.867 2.070 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478913 1320173137 /nfs/dbraw/zinc/17/31/37/1320173137.db2.gz DNXQGTKIWDHDLB-YQVWRLOYSA-N 2 1 349.519 2.199 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478913 1320173140 /nfs/dbraw/zinc/17/31/40/1320173140.db2.gz DNXQGTKIWDHDLB-YQVWRLOYSA-N 2 1 349.519 2.199 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160478913 1320173142 /nfs/dbraw/zinc/17/31/42/1320173142.db2.gz DNXQGTKIWDHDLB-YQVWRLOYSA-N 2 1 349.519 2.199 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160478913 1320173144 /nfs/dbraw/zinc/17/31/44/1320173144.db2.gz DNXQGTKIWDHDLB-YQVWRLOYSA-N 2 1 349.519 2.199 20 30 EEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@H+](C)CCC)(COC)CC1 ZINC001162585361 1320904432 /nfs/dbraw/zinc/90/44/32/1320904432.db2.gz HAVRRQJAHGAZSO-UHFFFAOYSA-N 2 1 339.524 2.139 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CCC ZINC001162987766 1321006036 /nfs/dbraw/zinc/00/60/36/1321006036.db2.gz XKJNGYAMUQWJDQ-UHFFFAOYSA-N 2 1 343.515 2.403 20 30 EEEDMP C=CCn1ccc2c1nc[nH+]c2N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163646313 1321179988 /nfs/dbraw/zinc/17/99/88/1321179988.db2.gz OFPOAFYQFWWIAN-MAUKXSAKSA-N 2 1 327.432 2.330 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](CC2(C)COC2)CC3)cc1C#N ZINC001276415710 1321940800 /nfs/dbraw/zinc/94/08/00/1321940800.db2.gz QGRLGPQRLSEICL-UHFFFAOYSA-N 2 1 342.487 2.221 20 30 EEEDMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]3C2)cn1 ZINC001203758401 1321954604 /nfs/dbraw/zinc/95/46/04/1321954604.db2.gz XNSLEQLDPADLSW-UXHICEINSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]3C2)cn1 ZINC001203758401 1321954605 /nfs/dbraw/zinc/95/46/05/1321954605.db2.gz XNSLEQLDPADLSW-UXHICEINSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]3C2)cn1 ZINC001203758401 1321954608 /nfs/dbraw/zinc/95/46/08/1321954608.db2.gz XNSLEQLDPADLSW-UXHICEINSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]3C2)cn1 ZINC001203758401 1321954611 /nfs/dbraw/zinc/95/46/11/1321954611.db2.gz XNSLEQLDPADLSW-UXHICEINSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]3C2)cn1 ZINC001203758401 1321954614 /nfs/dbraw/zinc/95/46/14/1321954614.db2.gz XNSLEQLDPADLSW-UXHICEINSA-N 2 1 335.455 2.246 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001206953563 1323739415 /nfs/dbraw/zinc/73/94/15/1323739415.db2.gz SHGJAPRNTKYAJU-UHFFFAOYSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001209566013 1324972636 /nfs/dbraw/zinc/97/26/36/1324972636.db2.gz MNDZXZYNNHTSAR-QZTJIDSGSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209566013 1324972639 /nfs/dbraw/zinc/97/26/39/1324972639.db2.gz MNDZXZYNNHTSAR-QZTJIDSGSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209566013 1324972642 /nfs/dbraw/zinc/97/26/42/1324972642.db2.gz MNDZXZYNNHTSAR-QZTJIDSGSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001308055643 1331562002 /nfs/dbraw/zinc/56/20/02/1331562002.db2.gz BWHKZAUCEHQXSI-DYXWJJEUSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001308055643 1331562003 /nfs/dbraw/zinc/56/20/03/1331562003.db2.gz BWHKZAUCEHQXSI-DYXWJJEUSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001308055643 1331562004 /nfs/dbraw/zinc/56/20/04/1331562004.db2.gz BWHKZAUCEHQXSI-DYXWJJEUSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001308055643 1331562005 /nfs/dbraw/zinc/56/20/05/1331562005.db2.gz BWHKZAUCEHQXSI-DYXWJJEUSA-N 2 1 339.483 2.227 20 30 EEEDMP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001669910580 1356236870 /nfs/dbraw/zinc/23/68/70/1356236870.db2.gz OQYRDPUIVJCDPQ-CRAIPNDOSA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001669910580 1356236875 /nfs/dbraw/zinc/23/68/75/1356236875.db2.gz OQYRDPUIVJCDPQ-CRAIPNDOSA-N 2 1 349.906 2.468 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC001580066790 1344462053 /nfs/dbraw/zinc/46/20/53/1344462053.db2.gz UGGLFAOCOCMCHA-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC001580066790 1344462057 /nfs/dbraw/zinc/46/20/57/1344462057.db2.gz UGGLFAOCOCMCHA-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1sccc1C#N ZINC001647455436 1353283899 /nfs/dbraw/zinc/28/38/99/1353283899.db2.gz BQWFTAMCRSLVOR-OAHLLOKOSA-N 2 1 349.504 2.500 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001673103182 1356646452 /nfs/dbraw/zinc/64/64/52/1356646452.db2.gz ZSZQJHJBCMZYGH-QAPCUYQASA-N 2 1 345.491 2.337 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001673103182 1356646457 /nfs/dbraw/zinc/64/64/57/1356646457.db2.gz ZSZQJHJBCMZYGH-QAPCUYQASA-N 2 1 345.491 2.337 20 30 EEEDMP C=CCn1c([C@H]2CCCN2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001121682219 1371912851 /nfs/dbraw/zinc/91/28/51/1371912851.db2.gz NVJGTQDFQSFBHR-IAGOWNOFSA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001121682219 1371912859 /nfs/dbraw/zinc/91/28/59/1371912859.db2.gz NVJGTQDFQSFBHR-IAGOWNOFSA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001121682219 1371912864 /nfs/dbraw/zinc/91/28/64/1371912864.db2.gz NVJGTQDFQSFBHR-IAGOWNOFSA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001121682219 1371912869 /nfs/dbraw/zinc/91/28/69/1371912869.db2.gz NVJGTQDFQSFBHR-IAGOWNOFSA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001121682219 1371912876 /nfs/dbraw/zinc/91/28/76/1371912876.db2.gz NVJGTQDFQSFBHR-IAGOWNOFSA-N 2 1 346.523 2.399 20 30 EEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CCCC[NH+]3CCOCC3)C2)C1 ZINC001121908281 1371931735 /nfs/dbraw/zinc/93/17/35/1371931735.db2.gz AMFQXHAXMBQTCO-UHFFFAOYSA-N 2 1 349.519 2.082 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001367874165 1374292874 /nfs/dbraw/zinc/29/28/74/1374292874.db2.gz PICGJQBYTXJQEP-KDOFPFPSSA-N 2 1 348.466 2.220 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1ccc(C#N)cc1F ZINC001372349241 1375954915 /nfs/dbraw/zinc/95/49/15/1375954915.db2.gz SMCPEEZMKGFCNC-SFHVURJKSA-N 2 1 348.466 2.222 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1ccc(C#N)cc1F ZINC001372349241 1375954919 /nfs/dbraw/zinc/95/49/19/1375954919.db2.gz SMCPEEZMKGFCNC-SFHVURJKSA-N 2 1 348.466 2.222 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001390067781 1388427759 /nfs/dbraw/zinc/42/77/59/1388427759.db2.gz VANGEAIVQCVJNB-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001390067781 1388427763 /nfs/dbraw/zinc/42/77/63/1388427763.db2.gz VANGEAIVQCVJNB-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001390067781 1388427764 /nfs/dbraw/zinc/42/77/64/1388427764.db2.gz VANGEAIVQCVJNB-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001379588978 1380769330 /nfs/dbraw/zinc/76/93/30/1380769330.db2.gz TUFAVXIHASSCCC-UONOGXRCSA-N 2 1 346.313 2.206 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001390626779 1388705852 /nfs/dbraw/zinc/70/58/52/1388705852.db2.gz OZADAOIIKLJXCK-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001381532939 1381640795 /nfs/dbraw/zinc/64/07/95/1381640795.db2.gz OFAXQCLWLPZGDK-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]C/C=C/Cl)CC1 ZINC001753273771 1406728820 /nfs/dbraw/zinc/72/88/20/1406728820.db2.gz MCRHXNWRDRYDHC-MUMZPTDHSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]C/C=C/Cl)CC1 ZINC001753273771 1406728824 /nfs/dbraw/zinc/72/88/24/1406728824.db2.gz MCRHXNWRDRYDHC-MUMZPTDHSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=C)C)C1CCCCC1 ZINC001753746543 1406768422 /nfs/dbraw/zinc/76/84/22/1406768422.db2.gz YBLFPLYMVGSHPI-OALUTQOASA-N 2 1 331.504 2.315 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=C)C)C1CCCCC1 ZINC001753746543 1406768430 /nfs/dbraw/zinc/76/84/30/1406768430.db2.gz YBLFPLYMVGSHPI-OALUTQOASA-N 2 1 331.504 2.315 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001422586559 1400052432 /nfs/dbraw/zinc/05/24/32/1400052432.db2.gz BCMSKHHKDJOJBD-YJBOKZPZSA-N 2 1 330.476 2.081 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC001422751273 1400177113 /nfs/dbraw/zinc/17/71/13/1400177113.db2.gz BQBDTXNTBPAIGZ-INIZCTEOSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC001422751273 1400177120 /nfs/dbraw/zinc/17/71/20/1400177120.db2.gz BQBDTXNTBPAIGZ-INIZCTEOSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001755430945 1407447636 /nfs/dbraw/zinc/44/76/36/1407447636.db2.gz UPVWJZJOPHNRCL-OSYLJGHBSA-N 2 1 330.476 2.267 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001755430945 1407447638 /nfs/dbraw/zinc/44/76/38/1407447638.db2.gz UPVWJZJOPHNRCL-OSYLJGHBSA-N 2 1 330.476 2.267 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001755747654 1407806523 /nfs/dbraw/zinc/80/65/23/1407806523.db2.gz VZKHRAXYYJNUOI-WBVHZDCISA-N 2 1 339.443 2.332 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001100071972 1410518581 /nfs/dbraw/zinc/51/85/81/1410518581.db2.gz MYFXDNSEELVGOE-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C(Br)C[NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001167636798 760791322 /nfs/dbraw/zinc/79/13/22/760791322.db2.gz VSHIGPZIBGTJLK-UHFFFAOYSA-N 2 1 346.313 2.113 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415857 768911188 /nfs/dbraw/zinc/91/11/88/768911188.db2.gz DLKVVNQGMKKZIM-GOSISDBHSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105097594 769060956 /nfs/dbraw/zinc/06/09/56/769060956.db2.gz SGRXVGFYZOHSTQ-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105097594 769060962 /nfs/dbraw/zinc/06/09/62/769060962.db2.gz SGRXVGFYZOHSTQ-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC(C)(C)C1 ZINC001089492396 769837126 /nfs/dbraw/zinc/83/71/26/769837126.db2.gz JDWJUNOEDLZMTK-BRWVUGGUSA-N 2 1 342.487 2.154 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540341 770171565 /nfs/dbraw/zinc/17/15/65/770171565.db2.gz UDACCNSMPMXIKV-OAHLLOKOSA-N 2 1 328.460 2.001 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105215 782918927 /nfs/dbraw/zinc/91/89/27/782918927.db2.gz YKPWXFBADRZOBQ-CVEARBPZSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105215 782918932 /nfs/dbraw/zinc/91/89/32/782918932.db2.gz YKPWXFBADRZOBQ-CVEARBPZSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105215 782918938 /nfs/dbraw/zinc/91/89/38/782918938.db2.gz YKPWXFBADRZOBQ-CVEARBPZSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105215 782918945 /nfs/dbraw/zinc/91/89/45/782918945.db2.gz YKPWXFBADRZOBQ-CVEARBPZSA-N 2 1 339.911 2.251 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC000997624109 790467885 /nfs/dbraw/zinc/46/78/85/790467885.db2.gz LFOWWNICEVCXHM-JQHSSLGASA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC000997624109 790467892 /nfs/dbraw/zinc/46/78/92/790467892.db2.gz LFOWWNICEVCXHM-JQHSSLGASA-N 2 1 337.483 2.049 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089819016 776774259 /nfs/dbraw/zinc/77/42/59/776774259.db2.gz DKISGFVIKRKAMX-KANFNMMFSA-N 2 1 331.504 2.216 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089819016 776774263 /nfs/dbraw/zinc/77/42/63/776774263.db2.gz DKISGFVIKRKAMX-KANFNMMFSA-N 2 1 331.504 2.216 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089819016 776774268 /nfs/dbraw/zinc/77/42/68/776774268.db2.gz DKISGFVIKRKAMX-KANFNMMFSA-N 2 1 331.504 2.216 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028049428 776822422 /nfs/dbraw/zinc/82/24/22/776822422.db2.gz SFDSNOQATUIFHW-SFHVURJKSA-N 2 1 327.472 2.008 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000981334713 777190645 /nfs/dbraw/zinc/19/06/45/777190645.db2.gz ODNWTOJWSIAWIV-HUUCEWRRSA-N 2 1 327.900 2.488 20 30 EEEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000982109983 779118973 /nfs/dbraw/zinc/11/89/73/779118973.db2.gz DSHTYRMKHLVCKA-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982305993 779657552 /nfs/dbraw/zinc/65/75/52/779657552.db2.gz CLUDEUJVPXXXLL-JYAXBFRTSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982305993 779657558 /nfs/dbraw/zinc/65/75/58/779657558.db2.gz CLUDEUJVPXXXLL-JYAXBFRTSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982305993 779657565 /nfs/dbraw/zinc/65/75/65/779657565.db2.gz CLUDEUJVPXXXLL-JYAXBFRTSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099542074 781735880 /nfs/dbraw/zinc/73/58/80/781735880.db2.gz AQQOLRZECZZPAJ-YVSFHVDLSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099542074 781735885 /nfs/dbraw/zinc/73/58/85/781735885.db2.gz AQQOLRZECZZPAJ-YVSFHVDLSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099542074 781735895 /nfs/dbraw/zinc/73/58/95/781735895.db2.gz AQQOLRZECZZPAJ-YVSFHVDLSA-N 2 1 339.911 2.250 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396181 781906972 /nfs/dbraw/zinc/90/69/72/781906972.db2.gz IVPLSRNIBGEROH-FQEVSTJZSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396181 781906979 /nfs/dbraw/zinc/90/69/79/781906979.db2.gz IVPLSRNIBGEROH-FQEVSTJZSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396181 781906986 /nfs/dbraw/zinc/90/69/86/781906986.db2.gz IVPLSRNIBGEROH-FQEVSTJZSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678770 784214981 /nfs/dbraw/zinc/21/49/81/784214981.db2.gz ICMICJYUNXMFJT-HZPDHXFCSA-N 2 1 336.480 2.047 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086801848 784692941 /nfs/dbraw/zinc/69/29/41/784692941.db2.gz BQZKIHDMECDUPA-YESZJQIVSA-N 2 1 330.476 2.205 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135977782 784928906 /nfs/dbraw/zinc/92/89/06/784928906.db2.gz ZAQXDYSIGKMOGQ-QZTJIDSGSA-N 2 1 329.488 2.253 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)CC2 ZINC001035794195 785142779 /nfs/dbraw/zinc/14/27/79/785142779.db2.gz ABGSGNDBFDKMIZ-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000818599473 785319059 /nfs/dbraw/zinc/31/90/59/785319059.db2.gz RXGYVKONFVLBPH-IBGZPJMESA-N 2 1 345.462 2.252 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000818599473 785319063 /nfs/dbraw/zinc/31/90/63/785319063.db2.gz RXGYVKONFVLBPH-IBGZPJMESA-N 2 1 345.462 2.252 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000818599473 785319070 /nfs/dbraw/zinc/31/90/70/785319070.db2.gz RXGYVKONFVLBPH-IBGZPJMESA-N 2 1 345.462 2.252 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000818599473 785319078 /nfs/dbraw/zinc/31/90/78/785319078.db2.gz RXGYVKONFVLBPH-IBGZPJMESA-N 2 1 345.462 2.252 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107425566 787203574 /nfs/dbraw/zinc/20/35/74/787203574.db2.gz CGXWEIDIKXJTEK-JFIYKMOQSA-N 2 1 325.472 2.213 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000996730390 787329744 /nfs/dbraw/zinc/32/97/44/787329744.db2.gz SAXIEARMJFBKCK-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107564298 787663170 /nfs/dbraw/zinc/66/31/70/787663170.db2.gz PZSBVCMISJCWGD-YLJYHZDGSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107564298 787663175 /nfs/dbraw/zinc/66/31/75/787663175.db2.gz PZSBVCMISJCWGD-YLJYHZDGSA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946904528 789622260 /nfs/dbraw/zinc/62/22/60/789622260.db2.gz IMHLHKQVMMVOFR-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946904528 789622266 /nfs/dbraw/zinc/62/22/66/789622266.db2.gz IMHLHKQVMMVOFR-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000923584748 789827885 /nfs/dbraw/zinc/82/78/85/789827885.db2.gz XDMJSOBFIZRWRP-IBGZPJMESA-N 2 1 325.456 2.110 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796735 806005272 /nfs/dbraw/zinc/00/52/72/806005272.db2.gz CBTJARYJBACQMJ-YRXWBPOGSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC000997832474 791247095 /nfs/dbraw/zinc/24/70/95/791247095.db2.gz SPRWSKZMFYNCKC-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC000997832474 791247105 /nfs/dbraw/zinc/24/71/05/791247105.db2.gz SPRWSKZMFYNCKC-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997835847 791253305 /nfs/dbraw/zinc/25/33/05/791253305.db2.gz CFBJAICMVXGNBG-AWEZNQCLSA-N 2 1 325.884 2.051 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998091503 791946222 /nfs/dbraw/zinc/94/62/22/791946222.db2.gz BYPCOTFIJGXQNR-GBESFXJTSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998091503 791946224 /nfs/dbraw/zinc/94/62/24/791946224.db2.gz BYPCOTFIJGXQNR-GBESFXJTSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998091503 791946226 /nfs/dbraw/zinc/94/62/26/791946226.db2.gz BYPCOTFIJGXQNR-GBESFXJTSA-N 2 1 333.520 2.443 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902741 806179270 /nfs/dbraw/zinc/17/92/70/806179270.db2.gz YNLNLERPNDYMCK-NBMJBFSESA-N 2 1 349.519 2.173 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086927107 793006209 /nfs/dbraw/zinc/00/62/09/793006209.db2.gz SEVNIVYOPDJBMQ-QGZVFWFLSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092015801 793508843 /nfs/dbraw/zinc/50/88/43/793508843.db2.gz WKEZOGRZPSTRGJ-QKLQHJQFSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092015801 793508849 /nfs/dbraw/zinc/50/88/49/793508849.db2.gz WKEZOGRZPSTRGJ-QKLQHJQFSA-N 2 1 342.487 2.110 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000998992920 793662001 /nfs/dbraw/zinc/66/20/01/793662001.db2.gz BRIARXABTOCKDH-CTWPCTMYSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC000992352763 793775615 /nfs/dbraw/zinc/77/56/15/793775615.db2.gz PLFKITNSUWWCHF-UYAOXDASSA-N 2 1 349.438 2.017 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC000992352763 793775620 /nfs/dbraw/zinc/77/56/20/793775620.db2.gz PLFKITNSUWWCHF-UYAOXDASSA-N 2 1 349.438 2.017 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092610202 794142552 /nfs/dbraw/zinc/14/25/52/794142552.db2.gz PIBJMPDJLOMIPB-GUDVDZBRSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092610202 794142558 /nfs/dbraw/zinc/14/25/58/794142558.db2.gz PIBJMPDJLOMIPB-GUDVDZBRSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092610202 794142566 /nfs/dbraw/zinc/14/25/66/794142566.db2.gz PIBJMPDJLOMIPB-GUDVDZBRSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001092657957 794204679 /nfs/dbraw/zinc/20/46/79/794204679.db2.gz AAMNSYBUYDHNSP-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092657957 794204682 /nfs/dbraw/zinc/20/46/82/794204682.db2.gz AAMNSYBUYDHNSP-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092657957 794204687 /nfs/dbraw/zinc/20/46/87/794204687.db2.gz AAMNSYBUYDHNSP-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676850 794223731 /nfs/dbraw/zinc/22/37/31/794223731.db2.gz MXUVANBKAQFMMN-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676850 794223733 /nfs/dbraw/zinc/22/37/33/794223733.db2.gz MXUVANBKAQFMMN-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676850 794223737 /nfs/dbraw/zinc/22/37/37/794223737.db2.gz MXUVANBKAQFMMN-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540449 794436203 /nfs/dbraw/zinc/43/62/03/794436203.db2.gz XEJAWTPCROLKOD-ZVDOUQERSA-N 2 1 345.531 2.491 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@]3(NC(=O)Cn4ccnc4)CCC[C@@H]23)cc1 ZINC000992528050 794512802 /nfs/dbraw/zinc/51/28/02/794512802.db2.gz GEFGFEKXDQQWDR-UYAOXDASSA-N 2 1 349.438 2.068 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999506871 794557854 /nfs/dbraw/zinc/55/78/54/794557854.db2.gz CFEKXEUIDTWVEG-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093120303 794652675 /nfs/dbraw/zinc/65/26/75/794652675.db2.gz GBTFPEWNPUNHGG-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120303 794652677 /nfs/dbraw/zinc/65/26/77/794652677.db2.gz GBTFPEWNPUNHGG-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120303 794652682 /nfs/dbraw/zinc/65/26/82/794652682.db2.gz GBTFPEWNPUNHGG-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000999976751 795125757 /nfs/dbraw/zinc/12/57/57/795125757.db2.gz ZTHJMJJXLGAIBX-HOTGVXAUSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106150734 795127261 /nfs/dbraw/zinc/12/72/61/795127261.db2.gz CKTUZZMCVHVGEP-IXDOHACOSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993803910 797031732 /nfs/dbraw/zinc/03/17/32/797031732.db2.gz JVPSOQXACGGVCB-FXAWDEMLSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015704499 797386159 /nfs/dbraw/zinc/38/61/59/797386159.db2.gz AEYIEFGRNHZDMV-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015704499 797386167 /nfs/dbraw/zinc/38/61/67/797386167.db2.gz AEYIEFGRNHZDMV-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015704499 797386171 /nfs/dbraw/zinc/38/61/71/797386171.db2.gz AEYIEFGRNHZDMV-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082568840 797591403 /nfs/dbraw/zinc/59/14/03/797591403.db2.gz VBNNSRLQBXWFNP-QRQLOZEOSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082568840 797591407 /nfs/dbraw/zinc/59/14/07/797591407.db2.gz VBNNSRLQBXWFNP-QRQLOZEOSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089405943 798415907 /nfs/dbraw/zinc/41/59/07/798415907.db2.gz FLFOFSXTZPLFBF-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176566144 798500104 /nfs/dbraw/zinc/50/01/04/798500104.db2.gz YTTPIMAMKSWLMZ-APWZRJJASA-N 2 1 342.487 2.275 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957650 798576621 /nfs/dbraw/zinc/57/66/21/798576621.db2.gz MQMFWQZGVYXFFN-QRVBRYPASA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957650 798576624 /nfs/dbraw/zinc/57/66/24/798576624.db2.gz MQMFWQZGVYXFFN-QRVBRYPASA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957650 798576625 /nfs/dbraw/zinc/57/66/25/798576625.db2.gz MQMFWQZGVYXFFN-QRVBRYPASA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[NH2+]CCCCCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001179590582 799996732 /nfs/dbraw/zinc/99/67/32/799996732.db2.gz JFBKRLHBGKZZLJ-UHFFFAOYSA-N 2 1 346.475 2.174 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085307349 800342919 /nfs/dbraw/zinc/34/29/19/800342919.db2.gz SIBHAUMCOZAYEQ-QRVBRYPASA-N 2 1 331.504 2.434 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001181721053 800879252 /nfs/dbraw/zinc/87/92/52/800879252.db2.gz WLNKGAXZPHCHMT-QWFCFKBJSA-N 2 1 333.520 2.062 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004524868 802293445 /nfs/dbraw/zinc/29/34/45/802293445.db2.gz XPADBHWBSJLEDO-IHPCNDPISA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001004524868 802293450 /nfs/dbraw/zinc/29/34/50/802293450.db2.gz XPADBHWBSJLEDO-IHPCNDPISA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001004524868 802293457 /nfs/dbraw/zinc/29/34/57/802293457.db2.gz XPADBHWBSJLEDO-IHPCNDPISA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185234986 802435856 /nfs/dbraw/zinc/43/58/56/802435856.db2.gz KRXICHIZTXAYFB-IRXDYDNUSA-N 2 1 330.476 2.104 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185307568 802452824 /nfs/dbraw/zinc/45/28/24/802452824.db2.gz RAAWGYVHHCGZEH-AEFFLSMTSA-N 2 1 330.476 2.069 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086205213 802491291 /nfs/dbraw/zinc/49/12/91/802491291.db2.gz GEVCNAMCZIXAFB-LULLPPNCSA-N 2 1 327.472 2.002 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086217083 802520463 /nfs/dbraw/zinc/52/04/63/802520463.db2.gz NDTIMGULEJYQAL-OWCLPIDISA-N 2 1 327.900 2.486 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109359286 805359072 /nfs/dbraw/zinc/35/90/72/805359072.db2.gz FPGVLXJGHCAMKZ-QZWWFDLISA-N 2 1 325.472 2.354 20 30 EEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001109442834 805474120 /nfs/dbraw/zinc/47/41/20/805474120.db2.gz IZPHOGCGCHGDFE-ZSXDVEMLSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001109442834 805474128 /nfs/dbraw/zinc/47/41/28/805474128.db2.gz IZPHOGCGCHGDFE-ZSXDVEMLSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109442834 805474132 /nfs/dbraw/zinc/47/41/32/805474132.db2.gz IZPHOGCGCHGDFE-ZSXDVEMLSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109442834 805474141 /nfs/dbraw/zinc/47/41/41/805474141.db2.gz IZPHOGCGCHGDFE-ZSXDVEMLSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001086595689 809097526 /nfs/dbraw/zinc/09/75/26/809097526.db2.gz OFFOBRMKYDOPBM-IPMKNSEASA-N 2 1 327.472 2.241 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC001129428899 810828872 /nfs/dbraw/zinc/82/88/72/810828872.db2.gz AQSRKQFGBDRVSD-IBGZPJMESA-N 2 1 340.471 2.171 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130430538 811629067 /nfs/dbraw/zinc/62/90/67/811629067.db2.gz CBABBBMLTKVXOL-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157977410 811735238 /nfs/dbraw/zinc/73/52/38/811735238.db2.gz BWUVCWUOEKKVDV-BZUAXINKSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157977410 811735245 /nfs/dbraw/zinc/73/52/45/811735245.db2.gz BWUVCWUOEKKVDV-BZUAXINKSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157977410 811735248 /nfs/dbraw/zinc/73/52/48/811735248.db2.gz BWUVCWUOEKKVDV-BZUAXINKSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157977410 811735253 /nfs/dbraw/zinc/73/52/53/811735253.db2.gz BWUVCWUOEKKVDV-BZUAXINKSA-N 2 1 327.900 2.392 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1ccc(C#N)s1 ZINC001437648072 1090170186 /nfs/dbraw/zinc/17/01/86/1090170186.db2.gz FOYKDFNVDFPWFC-QGZVFWFLSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1ccc(C#N)s1 ZINC001437648072 1090170189 /nfs/dbraw/zinc/17/01/89/1090170189.db2.gz FOYKDFNVDFPWFC-QGZVFWFLSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)Cc1ccc(C#N)s1 ZINC001437648072 1090170192 /nfs/dbraw/zinc/17/01/92/1090170192.db2.gz FOYKDFNVDFPWFC-QGZVFWFLSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)Cc1ccc(C#N)s1 ZINC001437648072 1090170193 /nfs/dbraw/zinc/17/01/93/1090170193.db2.gz FOYKDFNVDFPWFC-QGZVFWFLSA-N 2 1 348.516 2.432 20 30 EEEDMP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001438729092 1091267265 /nfs/dbraw/zinc/26/72/65/1091267265.db2.gz VCAKENSMTGUWCM-RTBURBONSA-N 2 1 342.487 2.273 20 30 EEEDMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001508115716 1115422643 /nfs/dbraw/zinc/42/26/43/1115422643.db2.gz SOLYGTQASFPBEC-UHFFFAOYSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)s1 ZINC000487746983 285281166 /nfs/dbraw/zinc/28/11/66/285281166.db2.gz DXIBDFLKHCLDOR-AWEZNQCLSA-N 2 1 334.489 2.108 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1C ZINC000336879080 465075349 /nfs/dbraw/zinc/07/53/49/465075349.db2.gz LCUACGSMEYKWMK-RYQLBKOJSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1C ZINC000336879080 465075355 /nfs/dbraw/zinc/07/53/55/465075355.db2.gz LCUACGSMEYKWMK-RYQLBKOJSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1C ZINC000336879080 465075359 /nfs/dbraw/zinc/07/53/59/465075359.db2.gz LCUACGSMEYKWMK-RYQLBKOJSA-N 2 1 331.460 2.103 20 30 EEEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158724987 463249356 /nfs/dbraw/zinc/24/93/56/463249356.db2.gz ZNXAHJTYEGEUDL-GVDBMIGSSA-N 2 1 332.492 2.134 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000081355670 463424361 /nfs/dbraw/zinc/42/43/61/463424361.db2.gz ISKFYVQDKYNRMR-LJQANCHMSA-N 2 1 342.487 2.203 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000081355670 463424365 /nfs/dbraw/zinc/42/43/65/463424365.db2.gz ISKFYVQDKYNRMR-LJQANCHMSA-N 2 1 342.487 2.203 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000177837828 463801993 /nfs/dbraw/zinc/80/19/93/463801993.db2.gz ZXWRKAHPUVDVFN-HKUYNNGSSA-N 2 1 332.488 2.428 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000177837828 463802001 /nfs/dbraw/zinc/80/20/01/463802001.db2.gz ZXWRKAHPUVDVFN-HKUYNNGSSA-N 2 1 332.488 2.428 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000177837828 463802007 /nfs/dbraw/zinc/80/20/07/463802007.db2.gz ZXWRKAHPUVDVFN-HKUYNNGSSA-N 2 1 332.488 2.428 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000177837828 463802012 /nfs/dbraw/zinc/80/20/12/463802012.db2.gz ZXWRKAHPUVDVFN-HKUYNNGSSA-N 2 1 332.488 2.428 20 30 EEEDMP C[N@H+]1C[C@@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]2C1 ZINC000194535875 463880165 /nfs/dbraw/zinc/88/01/65/463880165.db2.gz AVBWXCHBVBPCNI-HDICACEKSA-N 2 1 335.455 2.457 20 30 EEEDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]2C1 ZINC000194535875 463880168 /nfs/dbraw/zinc/88/01/68/463880168.db2.gz AVBWXCHBVBPCNI-HDICACEKSA-N 2 1 335.455 2.457 20 30 EEEDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]2C1 ZINC000194535875 463880172 /nfs/dbraw/zinc/88/01/72/463880172.db2.gz AVBWXCHBVBPCNI-HDICACEKSA-N 2 1 335.455 2.457 20 30 EEEDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]2C1 ZINC000194535875 463880174 /nfs/dbraw/zinc/88/01/74/463880174.db2.gz AVBWXCHBVBPCNI-HDICACEKSA-N 2 1 335.455 2.457 20 30 EEEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000264081566 464280939 /nfs/dbraw/zinc/28/09/39/464280939.db2.gz HPBXNTQFBABLRI-KRWDZBQOSA-N 2 1 331.508 2.304 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+](C)C(C)C ZINC000264084357 464281010 /nfs/dbraw/zinc/28/10/10/464281010.db2.gz JGQHAYOLAJDVPE-IBGZPJMESA-N 3 1 345.535 2.415 20 30 EEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+](C)C(C)C ZINC000264084357 464281014 /nfs/dbraw/zinc/28/10/14/464281014.db2.gz JGQHAYOLAJDVPE-IBGZPJMESA-N 3 1 345.535 2.415 20 30 EEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+](C)C(C)C ZINC000264084357 464281018 /nfs/dbraw/zinc/28/10/18/464281018.db2.gz JGQHAYOLAJDVPE-IBGZPJMESA-N 3 1 345.535 2.415 20 30 EEEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292895587 464375768 /nfs/dbraw/zinc/37/57/68/464375768.db2.gz VOXGJJMCQRYDNM-WOJBJXKFSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000292895587 464375773 /nfs/dbraw/zinc/37/57/73/464375773.db2.gz VOXGJJMCQRYDNM-WOJBJXKFSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000292895587 464375780 /nfs/dbraw/zinc/37/57/80/464375780.db2.gz VOXGJJMCQRYDNM-WOJBJXKFSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@H+](C)CCCN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000294984933 464670663 /nfs/dbraw/zinc/67/06/63/464670663.db2.gz KWQDYKKLXZEWLP-RTBURBONSA-N 2 1 349.906 2.256 20 30 EEEDMP C#CCN(C)CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000294984933 464670668 /nfs/dbraw/zinc/67/06/68/464670668.db2.gz KWQDYKKLXZEWLP-RTBURBONSA-N 2 1 349.906 2.256 20 30 EEEDMP C#CC[N@H+](C)CCCN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000294984913 464670804 /nfs/dbraw/zinc/67/08/04/464670804.db2.gz KWQDYKKLXZEWLP-MOPGFXCFSA-N 2 1 349.906 2.256 20 30 EEEDMP C#CCN(C)CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000294984913 464670809 /nfs/dbraw/zinc/67/08/09/464670809.db2.gz KWQDYKKLXZEWLP-MOPGFXCFSA-N 2 1 349.906 2.256 20 30 EEEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266916867 464870452 /nfs/dbraw/zinc/87/04/52/464870452.db2.gz KSIQVJLZMFOROV-HUUCEWRRSA-N 2 1 329.448 2.320 20 30 EEEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266916867 464870455 /nfs/dbraw/zinc/87/04/55/464870455.db2.gz KSIQVJLZMFOROV-HUUCEWRRSA-N 2 1 329.448 2.320 20 30 EEEDMP CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000329997491 465501208 /nfs/dbraw/zinc/50/12/08/465501208.db2.gz QQMQOVSJDYIAIZ-AWEZNQCLSA-N 2 1 330.436 2.012 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000329997491 465501213 /nfs/dbraw/zinc/50/12/13/465501213.db2.gz QQMQOVSJDYIAIZ-AWEZNQCLSA-N 2 1 330.436 2.012 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCC1(C#N)CCOCC1 ZINC000368531341 466661922 /nfs/dbraw/zinc/66/19/22/466661922.db2.gz UTIPAKFZDDHHNX-KZNAEPCWSA-N 2 1 335.492 2.270 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)C(C)C ZINC000422163372 466668311 /nfs/dbraw/zinc/66/83/11/466668311.db2.gz FPWGHRGWWHZNCZ-QZTJIDSGSA-N 2 1 336.524 2.421 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C(C)=O)cc2)CC1 ZINC000577602847 468188626 /nfs/dbraw/zinc/18/86/26/468188626.db2.gz QCQJJZBTOVWBTG-LJQANCHMSA-N 2 1 346.471 2.259 20 30 EEEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1sccc1C#N)C2 ZINC000595507502 468881711 /nfs/dbraw/zinc/88/17/11/468881711.db2.gz PDDSJUAOFHTQJU-QGZVFWFLSA-N 2 1 332.473 2.366 20 30 EEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1sccc1C#N)C2 ZINC000595507502 468881716 /nfs/dbraw/zinc/88/17/16/468881716.db2.gz PDDSJUAOFHTQJU-QGZVFWFLSA-N 2 1 332.473 2.366 20 30 EEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000595507502 468881720 /nfs/dbraw/zinc/88/17/20/468881720.db2.gz PDDSJUAOFHTQJU-QGZVFWFLSA-N 2 1 332.473 2.366 20 30 EEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000595507502 468881723 /nfs/dbraw/zinc/88/17/23/468881723.db2.gz PDDSJUAOFHTQJU-QGZVFWFLSA-N 2 1 332.473 2.366 20 30 EEEDMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1 ZINC000593354119 468948430 /nfs/dbraw/zinc/94/84/30/468948430.db2.gz MELPXGHAJVHUKR-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+](C[C@H](O)C[NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CC1 ZINC000573596504 469168419 /nfs/dbraw/zinc/16/84/19/469168419.db2.gz NOHFZYBMADCRLQ-CUYAVPTFSA-N 2 1 343.471 2.293 20 30 EEEDMP C[N@@H+](C[C@H](O)C[NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CC1 ZINC000573596504 469168422 /nfs/dbraw/zinc/16/84/22/469168422.db2.gz NOHFZYBMADCRLQ-CUYAVPTFSA-N 2 1 343.471 2.293 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000730095724 576713800 /nfs/dbraw/zinc/71/38/00/576713800.db2.gz HGHGYHAZUMAKOU-IBGZPJMESA-N 2 1 327.472 2.242 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000730095724 576713802 /nfs/dbraw/zinc/71/38/02/576713802.db2.gz HGHGYHAZUMAKOU-IBGZPJMESA-N 2 1 327.472 2.242 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccccc2CC#N)CC1 ZINC000776841775 577468780 /nfs/dbraw/zinc/46/87/80/577468780.db2.gz NZNCUBXPAJRYPF-UHFFFAOYSA-N 2 1 349.438 2.081 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000742949450 577878165 /nfs/dbraw/zinc/87/81/65/577878165.db2.gz QBTWMUPDKLKQAH-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000742949450 577878166 /nfs/dbraw/zinc/87/81/66/577878166.db2.gz QBTWMUPDKLKQAH-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000742949450 577878167 /nfs/dbraw/zinc/87/81/67/577878167.db2.gz QBTWMUPDKLKQAH-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000742949450 577878168 /nfs/dbraw/zinc/87/81/68/577878168.db2.gz QBTWMUPDKLKQAH-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CC[N@H+](CC)C2)CC1 ZINC001039249540 676266042 /nfs/dbraw/zinc/26/60/42/676266042.db2.gz BIVJHEWPXXCLTF-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2cncn2C)C1 ZINC001021723194 676382435 /nfs/dbraw/zinc/38/24/35/676382435.db2.gz DCGMHROZAQFMQQ-FUHWJXTLSA-N 2 1 330.476 2.242 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740860 676400252 /nfs/dbraw/zinc/40/02/52/676400252.db2.gz WTLDJJQLFZVEMB-OALUTQOASA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479949 679963021 /nfs/dbraw/zinc/96/30/21/679963021.db2.gz VEJDERXIJPGGRP-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(Cl)CN1CC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028592309 681239373 /nfs/dbraw/zinc/23/93/73/681239373.db2.gz KXFJXIXUVRRESI-CVEARBPZSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028592309 681239379 /nfs/dbraw/zinc/23/93/79/681239379.db2.gz KXFJXIXUVRRESI-CVEARBPZSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028592309 681239384 /nfs/dbraw/zinc/23/93/84/681239384.db2.gz KXFJXIXUVRRESI-CVEARBPZSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592309 681239386 /nfs/dbraw/zinc/23/93/86/681239386.db2.gz KXFJXIXUVRRESI-CVEARBPZSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592309 681239390 /nfs/dbraw/zinc/23/93/90/681239390.db2.gz KXFJXIXUVRRESI-CVEARBPZSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024648237 681311833 /nfs/dbraw/zinc/31/18/33/681311833.db2.gz ZJMZBQIRTIAQDB-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024648237 681311836 /nfs/dbraw/zinc/31/18/36/681311836.db2.gz ZJMZBQIRTIAQDB-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028600821 681347310 /nfs/dbraw/zinc/34/73/10/681347310.db2.gz DWHHHZXFZAGJGY-MOPGFXCFSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028600821 681347314 /nfs/dbraw/zinc/34/73/14/681347314.db2.gz DWHHHZXFZAGJGY-MOPGFXCFSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028600821 681347317 /nfs/dbraw/zinc/34/73/17/681347317.db2.gz DWHHHZXFZAGJGY-MOPGFXCFSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028600821 681347322 /nfs/dbraw/zinc/34/73/22/681347322.db2.gz DWHHHZXFZAGJGY-MOPGFXCFSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028600821 681347325 /nfs/dbraw/zinc/34/73/25/681347325.db2.gz DWHHHZXFZAGJGY-MOPGFXCFSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293922 682404484 /nfs/dbraw/zinc/40/44/84/682404484.db2.gz GVXWUINOVGBSLC-MSOLQXFVSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293922 682404486 /nfs/dbraw/zinc/40/44/86/682404486.db2.gz GVXWUINOVGBSLC-MSOLQXFVSA-N 2 1 328.460 2.060 20 30 EEEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000262353890 685591221 /nfs/dbraw/zinc/59/12/21/685591221.db2.gz FNJZZPJNCUOCBE-BBWFWOEESA-N 2 1 336.524 2.039 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025597493 683080981 /nfs/dbraw/zinc/08/09/81/683080981.db2.gz RAIMEWQOAOQZKO-CABCVRRESA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978616664 693750867 /nfs/dbraw/zinc/75/08/67/693750867.db2.gz PJBXNCZPCPCKPV-LUKYLMHMSA-N 2 1 339.911 2.155 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978616664 693750872 /nfs/dbraw/zinc/75/08/72/693750872.db2.gz PJBXNCZPCPCKPV-LUKYLMHMSA-N 2 1 339.911 2.155 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978616664 693750876 /nfs/dbraw/zinc/75/08/76/693750876.db2.gz PJBXNCZPCPCKPV-LUKYLMHMSA-N 2 1 339.911 2.155 20 30 EEEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC000992819465 683530766 /nfs/dbraw/zinc/53/07/66/683530766.db2.gz FBAIIDHDIVAWLA-GVDBMIGSSA-N 2 1 330.476 2.409 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC(=C)Cl)C2)CC1 ZINC001027693852 694000541 /nfs/dbraw/zinc/00/05/41/694000541.db2.gz KSFCSRCANWVLMV-KRWDZBQOSA-N 2 1 337.895 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC(=C)Cl)C2)CC1 ZINC001027693852 694000546 /nfs/dbraw/zinc/00/05/46/694000546.db2.gz KSFCSRCANWVLMV-KRWDZBQOSA-N 2 1 337.895 2.007 20 30 EEEDMP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986352099 688524358 /nfs/dbraw/zinc/52/43/58/688524358.db2.gz FTNOZZPBICCPFK-DYVFJYSZSA-N 2 1 346.500 2.183 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000989450014 691849731 /nfs/dbraw/zinc/84/97/31/691849731.db2.gz MFQPVYORYWNXKK-CABCVRRESA-N 2 1 332.448 2.039 20 30 EEEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241290 692086234 /nfs/dbraw/zinc/08/62/34/692086234.db2.gz MWFCFJBALDUZTG-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241290 692086236 /nfs/dbraw/zinc/08/62/36/692086236.db2.gz MWFCFJBALDUZTG-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241290 692086240 /nfs/dbraw/zinc/08/62/40/692086240.db2.gz MWFCFJBALDUZTG-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)CC)CC2(C)C)CC1 ZINC000977659808 692889898 /nfs/dbraw/zinc/88/98/98/692889898.db2.gz YETWJJYPAOSMPU-SJLPKXTDSA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027605106 693448140 /nfs/dbraw/zinc/44/81/40/693448140.db2.gz VSVKSZOQBMZAJM-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027605106 693448141 /nfs/dbraw/zinc/44/81/41/693448141.db2.gz VSVKSZOQBMZAJM-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945088019 1193361487 /nfs/dbraw/zinc/36/14/87/1193361487.db2.gz ABCOSHMBAMUZDV-APWZRJJASA-N 2 1 327.472 2.212 20 30 EEEDMP C=CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272808306 1193526057 /nfs/dbraw/zinc/52/60/57/1193526057.db2.gz OMHLBJZBTLQFNT-FQEVSTJZSA-N 2 1 334.423 2.170 20 30 EEEDMP C=CCN1c2ccccc2[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272808306 1193526059 /nfs/dbraw/zinc/52/60/59/1193526059.db2.gz OMHLBJZBTLQFNT-FQEVSTJZSA-N 2 1 334.423 2.170 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001484069277 1191195775 /nfs/dbraw/zinc/19/57/75/1191195775.db2.gz YGJYBFDGCOQXHG-FQEVSTJZSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001484069277 1191195777 /nfs/dbraw/zinc/19/57/77/1191195777.db2.gz YGJYBFDGCOQXHG-FQEVSTJZSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001484069277 1191195780 /nfs/dbraw/zinc/19/57/80/1191195780.db2.gz YGJYBFDGCOQXHG-FQEVSTJZSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001484571831 1191424667 /nfs/dbraw/zinc/42/46/67/1191424667.db2.gz JZVAAUOTKWFNDU-FVQBIDKESA-N 2 1 327.900 2.345 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001484728012 1191487478 /nfs/dbraw/zinc/48/74/78/1191487478.db2.gz XPAXGMVPDCWQPB-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001484728012 1191487479 /nfs/dbraw/zinc/48/74/79/1191487479.db2.gz XPAXGMVPDCWQPB-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001484728012 1191487480 /nfs/dbraw/zinc/48/74/80/1191487480.db2.gz XPAXGMVPDCWQPB-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808958 1194416559 /nfs/dbraw/zinc/41/65/59/1194416559.db2.gz VFNOBUQUCSJKMF-SLFFLAALSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001034047082 1195699090 /nfs/dbraw/zinc/69/90/90/1195699090.db2.gz YHABYDAHSQZONF-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034405081 1196197935 /nfs/dbraw/zinc/19/79/35/1196197935.db2.gz NWZNMRLYQPGYRR-HXUWFJFHSA-N 2 1 341.499 2.398 20 30 EEEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545801 1196374340 /nfs/dbraw/zinc/37/43/40/1196374340.db2.gz XXAMONPVSLAQGA-MRXNPFEDSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545801 1196374344 /nfs/dbraw/zinc/37/43/44/1196374344.db2.gz XXAMONPVSLAQGA-MRXNPFEDSA-N 2 1 331.460 2.339 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC001034792965 1196736288 /nfs/dbraw/zinc/73/62/88/1196736288.db2.gz PTJCBGQGVWLOFS-GUDVDZBRSA-N 2 1 340.471 2.027 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001411038470 1198720794 /nfs/dbraw/zinc/72/07/94/1198720794.db2.gz GAYSQRLWRSCMEE-PBHICJAKSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001411038470 1198720796 /nfs/dbraw/zinc/72/07/96/1198720796.db2.gz GAYSQRLWRSCMEE-PBHICJAKSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001411038470 1198720801 /nfs/dbraw/zinc/72/08/01/1198720801.db2.gz GAYSQRLWRSCMEE-PBHICJAKSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001411038470 1198720804 /nfs/dbraw/zinc/72/08/04/1198720804.db2.gz GAYSQRLWRSCMEE-PBHICJAKSA-N 2 1 348.516 2.431 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132348887 1199612257 /nfs/dbraw/zinc/61/22/57/1199612257.db2.gz UVXGLBNLZBDADV-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132348887 1199612259 /nfs/dbraw/zinc/61/22/59/1199612259.db2.gz UVXGLBNLZBDADV-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134613935 1199690513 /nfs/dbraw/zinc/69/05/13/1199690513.db2.gz YYGYXYQCQFHXHS-HOTGVXAUSA-N 2 1 342.487 2.415 20 30 EEEDMP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607827 1199700269 /nfs/dbraw/zinc/70/02/69/1199700269.db2.gz MFNDXNWYCPUIOI-KBPBESRZSA-N 2 1 348.516 2.477 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541576 1199837423 /nfs/dbraw/zinc/83/74/23/1199837423.db2.gz HMRUCSLHAFYJTP-PKOBYXMFSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541576 1199837427 /nfs/dbraw/zinc/83/74/27/1199837427.db2.gz HMRUCSLHAFYJTP-PKOBYXMFSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541576 1199837433 /nfs/dbraw/zinc/83/74/33/1199837433.db2.gz HMRUCSLHAFYJTP-PKOBYXMFSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541576 1199837438 /nfs/dbraw/zinc/83/74/38/1199837438.db2.gz HMRUCSLHAFYJTP-PKOBYXMFSA-N 2 1 327.472 2.111 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001132736899 1199964277 /nfs/dbraw/zinc/96/42/77/1199964277.db2.gz FNAZWALWWJRPOU-QGZVFWFLSA-N 2 1 346.450 2.025 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC001274921056 1205207401 /nfs/dbraw/zinc/20/74/01/1205207401.db2.gz YSVNNVRERUCBEH-UHFFFAOYSA-N 2 1 326.488 2.060 20 30 EEEDMP Cc1ccc(C#N)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000930527215 1206564925 /nfs/dbraw/zinc/56/49/25/1206564925.db2.gz XADBITOZVVTFCF-UHFFFAOYSA-N 2 1 335.411 2.266 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001015290225 1225045088 /nfs/dbraw/zinc/04/50/88/1225045088.db2.gz LRMCIMBLAPZLEX-SFHVURJKSA-N 2 1 345.406 2.210 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001015290225 1225045094 /nfs/dbraw/zinc/04/50/94/1225045094.db2.gz LRMCIMBLAPZLEX-SFHVURJKSA-N 2 1 345.406 2.210 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=C)Cl)[C@H](C)C2)CC1 ZINC000948070532 1208854116 /nfs/dbraw/zinc/85/41/16/1208854116.db2.gz QBGKNWFQKKQTAN-NVXWUHKLSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=C)Cl)[C@H](C)C2)CC1 ZINC000948070532 1208854119 /nfs/dbraw/zinc/85/41/19/1208854119.db2.gz QBGKNWFQKKQTAN-NVXWUHKLSA-N 2 1 337.895 2.053 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948378268 1209101985 /nfs/dbraw/zinc/10/19/85/1209101985.db2.gz SQFDRHWLBRIIPT-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000949531650 1209731131 /nfs/dbraw/zinc/73/11/31/1209731131.db2.gz NVNGDXUXWBHGEK-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000949531650 1209731133 /nfs/dbraw/zinc/73/11/33/1209731133.db2.gz NVNGDXUXWBHGEK-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000949531650 1209731136 /nfs/dbraw/zinc/73/11/36/1209731136.db2.gz NVNGDXUXWBHGEK-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C[C@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000303875974 1213917435 /nfs/dbraw/zinc/91/74/35/1213917435.db2.gz HWERNAVWQKZAPO-IRXDYDNUSA-N 2 1 344.503 2.454 20 30 EEEDMP C[C@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000303875974 1213917442 /nfs/dbraw/zinc/91/74/42/1213917442.db2.gz HWERNAVWQKZAPO-IRXDYDNUSA-N 2 1 344.503 2.454 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303885723 1213920621 /nfs/dbraw/zinc/92/06/21/1213920621.db2.gz JYUWEPPZCAXORR-ROUUACIJSA-N 3 1 337.556 2.132 20 30 EEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000960304322 1216482615 /nfs/dbraw/zinc/48/26/15/1216482615.db2.gz MMPMFQSNDOTAPZ-IEBWSBKVSA-N 2 1 327.472 2.276 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)COc1ccccc1OC ZINC000305688143 1216975689 /nfs/dbraw/zinc/97/56/89/1216975689.db2.gz PHWVJQXCRQQIBO-HZPDHXFCSA-N 2 1 348.491 2.099 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180485 1217073837 /nfs/dbraw/zinc/07/38/37/1217073837.db2.gz HKESATFYSWNGAI-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961233206 1217100822 /nfs/dbraw/zinc/10/08/22/1217100822.db2.gz UTVSOAVFBLSZDU-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961374151 1217162870 /nfs/dbraw/zinc/16/28/70/1217162870.db2.gz JWJYSCBNNKSHDD-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961377981 1217165466 /nfs/dbraw/zinc/16/54/66/1217165466.db2.gz JJRATWNIPVTAPF-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961384163 1217168389 /nfs/dbraw/zinc/16/83/89/1217168389.db2.gz NQMXRJDRPRCBFM-IBGZPJMESA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961384163 1217168390 /nfs/dbraw/zinc/16/83/90/1217168390.db2.gz NQMXRJDRPRCBFM-IBGZPJMESA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961411336 1217179605 /nfs/dbraw/zinc/17/96/05/1217179605.db2.gz LSVQDLHNSSXCKV-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961411336 1217179607 /nfs/dbraw/zinc/17/96/07/1217179607.db2.gz LSVQDLHNSSXCKV-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961411336 1217179609 /nfs/dbraw/zinc/17/96/09/1217179609.db2.gz LSVQDLHNSSXCKV-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000961949368 1217417247 /nfs/dbraw/zinc/41/72/47/1217417247.db2.gz VEMRIEULNAMPRR-XUWVNRHRSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000961949368 1217417251 /nfs/dbraw/zinc/41/72/51/1217417251.db2.gz VEMRIEULNAMPRR-XUWVNRHRSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000961949368 1217417254 /nfs/dbraw/zinc/41/72/54/1217417254.db2.gz VEMRIEULNAMPRR-XUWVNRHRSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000961949368 1217417255 /nfs/dbraw/zinc/41/72/55/1217417255.db2.gz VEMRIEULNAMPRR-XUWVNRHRSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000963801342 1218045634 /nfs/dbraw/zinc/04/56/34/1218045634.db2.gz RMNPZVOSOMBYHI-YYIRHMBSSA-N 2 1 331.504 2.454 20 30 EEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000964711321 1218563383 /nfs/dbraw/zinc/56/33/83/1218563383.db2.gz YOXGWADMMWAJMP-UEBDJUODSA-N 2 1 342.487 2.347 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1CC ZINC001037868596 1219693830 /nfs/dbraw/zinc/69/38/30/1219693830.db2.gz BRXWNHMEQUJNBG-GOEBONIOSA-N 2 1 334.464 2.143 20 30 EEEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1CC ZINC001037884329 1219960687 /nfs/dbraw/zinc/96/06/87/1219960687.db2.gz YBNJDHUFNBRLJY-CVEARBPZSA-N 2 1 330.476 2.165 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681633 1221487603 /nfs/dbraw/zinc/48/76/03/1221487603.db2.gz KVCRTFIBEQBCBL-VQIMIIECSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000968954890 1221699467 /nfs/dbraw/zinc/69/94/67/1221699467.db2.gz XLLBLRKIVKAGIF-GGPKGHCWSA-N 2 1 339.483 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000968954890 1221699471 /nfs/dbraw/zinc/69/94/71/1221699471.db2.gz XLLBLRKIVKAGIF-GGPKGHCWSA-N 2 1 339.483 2.344 20 30 EEEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014631043 1226860493 /nfs/dbraw/zinc/86/04/93/1226860493.db2.gz OBWLQOOJMIVCRW-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014631043 1226860495 /nfs/dbraw/zinc/86/04/95/1226860495.db2.gz OBWLQOOJMIVCRW-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001014631043 1226860500 /nfs/dbraw/zinc/86/05/00/1226860500.db2.gz OBWLQOOJMIVCRW-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001014631043 1226860502 /nfs/dbraw/zinc/86/05/02/1226860502.db2.gz OBWLQOOJMIVCRW-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001020250828 1229583110 /nfs/dbraw/zinc/58/31/10/1229583110.db2.gz SXBYHNBQVIHCSF-ZULIPRJHSA-N 2 1 337.467 2.008 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001020250828 1229583114 /nfs/dbraw/zinc/58/31/14/1229583114.db2.gz SXBYHNBQVIHCSF-ZULIPRJHSA-N 2 1 337.467 2.008 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039133872 1230345021 /nfs/dbraw/zinc/34/50/21/1230345021.db2.gz LRMFMIIVMAAVOS-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC001039144837 1230363381 /nfs/dbraw/zinc/36/33/81/1230363381.db2.gz NXQBFRVAZXGBQY-KRWDZBQOSA-N 2 1 336.439 2.142 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182212 1230409791 /nfs/dbraw/zinc/40/97/91/1230409791.db2.gz LCSHGQDUMBINOU-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182212 1230409793 /nfs/dbraw/zinc/40/97/93/1230409793.db2.gz LCSHGQDUMBINOU-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182212 1230409796 /nfs/dbraw/zinc/40/97/96/1230409796.db2.gz LCSHGQDUMBINOU-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039233239 1230466160 /nfs/dbraw/zinc/46/61/60/1230466160.db2.gz JJEUXDYOKCMTQZ-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039233239 1230466162 /nfs/dbraw/zinc/46/61/62/1230466162.db2.gz JJEUXDYOKCMTQZ-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039233239 1230466164 /nfs/dbraw/zinc/46/61/64/1230466164.db2.gz JJEUXDYOKCMTQZ-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001039292244 1230512515 /nfs/dbraw/zinc/51/25/15/1230512515.db2.gz INFXMMFFUVVENO-OOKSDGMUSA-N 2 1 342.487 2.442 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039474238 1230638317 /nfs/dbraw/zinc/63/83/17/1230638317.db2.gz YJHYFCXHWBUBJP-MOPGFXCFSA-N 2 1 339.483 2.450 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040453016 1231242122 /nfs/dbraw/zinc/24/21/22/1231242122.db2.gz MATFTZREYXJHLX-OAQYLSRUSA-N 2 1 339.483 2.310 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358352 1231518768 /nfs/dbraw/zinc/51/87/68/1231518768.db2.gz NEZNPNWVTHLVGY-APWZRJJASA-N 2 1 328.460 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358352 1231518769 /nfs/dbraw/zinc/51/87/69/1231518769.db2.gz NEZNPNWVTHLVGY-APWZRJJASA-N 2 1 328.460 2.261 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CC=C(C)C)C3)C2)CC1 ZINC001041845085 1231728084 /nfs/dbraw/zinc/72/80/84/1231728084.db2.gz SIFWWMHYEHPPDB-NRFANRHFSA-N 2 1 343.515 2.222 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847166 1231729361 /nfs/dbraw/zinc/72/93/61/1231729361.db2.gz KDVUBDZTBHKXTN-QUCCMNQESA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847166 1231729363 /nfs/dbraw/zinc/72/93/63/1231729363.db2.gz KDVUBDZTBHKXTN-QUCCMNQESA-N 2 1 327.472 2.400 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297650 1232012954 /nfs/dbraw/zinc/01/29/54/1232012954.db2.gz STVLWJSBPODAAI-IEBWSBKVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCCC)[C@@H]3C2)CC1 ZINC001042368222 1232049972 /nfs/dbraw/zinc/04/99/72/1232049972.db2.gz OVKZJCWIJQICNN-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001045673624 1233899470 /nfs/dbraw/zinc/89/94/70/1233899470.db2.gz VTZRCYNPYYGQQA-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970197 1234253458 /nfs/dbraw/zinc/25/34/58/1234253458.db2.gz CMNUEBNDOCQSPO-OAQYLSRUSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001046849785 1235247352 /nfs/dbraw/zinc/24/73/52/1235247352.db2.gz JBHCQKXHHSWMBB-OAQYLSRUSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC2CCC2)C3)CC1 ZINC001047208553 1235672153 /nfs/dbraw/zinc/67/21/53/1235672153.db2.gz IUMXXORFDCTDHX-IHPCNDPISA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](CCC)CC2)C1 ZINC001047244479 1235736665 /nfs/dbraw/zinc/73/66/65/1235736665.db2.gz SMMXWSOGABVSLH-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](CCC)CC2)C1 ZINC001047244479 1235736676 /nfs/dbraw/zinc/73/66/76/1235736676.db2.gz SMMXWSOGABVSLH-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047245281 1235737438 /nfs/dbraw/zinc/73/74/38/1235737438.db2.gz YDRLSTJWILTOEI-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263499 1235772611 /nfs/dbraw/zinc/77/26/11/1235772611.db2.gz HOOBPVXEAYBVIW-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003350 1239715996 /nfs/dbraw/zinc/71/59/96/1239715996.db2.gz JEZLHZVANSXCSD-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003350 1239716009 /nfs/dbraw/zinc/71/60/09/1239716009.db2.gz JEZLHZVANSXCSD-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003350 1239716020 /nfs/dbraw/zinc/71/60/20/1239716020.db2.gz JEZLHZVANSXCSD-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000261555 1240109525 /nfs/dbraw/zinc/10/95/25/1240109525.db2.gz OPGDIHFIIZBDJP-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172228 1240175766 /nfs/dbraw/zinc/17/57/66/1240175766.db2.gz VKDHABNYJIRKBN-AKHDSKFASA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCC(C)(C)C)C[C@@H]3C2)CC1 ZINC001049234580 1240339939 /nfs/dbraw/zinc/33/99/39/1240339939.db2.gz FNCKLIFHFRDQJM-KDURUIRLSA-N 2 1 345.531 2.158 20 30 EEEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000687738 1240737612 /nfs/dbraw/zinc/73/76/12/1240737612.db2.gz HTTRHWWHRXSPSY-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049523785 1241241027 /nfs/dbraw/zinc/24/10/27/1241241027.db2.gz HDZOZXDFRPPVRW-IPMKNSEASA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049523785 1241241036 /nfs/dbraw/zinc/24/10/36/1241241036.db2.gz HDZOZXDFRPPVRW-IPMKNSEASA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049523785 1241241051 /nfs/dbraw/zinc/24/10/51/1241241051.db2.gz HDZOZXDFRPPVRW-IPMKNSEASA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049716998 1241977859 /nfs/dbraw/zinc/97/78/59/1241977859.db2.gz BYUGJPWXVXNHHN-MBOZVWFJSA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001049716998 1241977874 /nfs/dbraw/zinc/97/78/74/1241977874.db2.gz BYUGJPWXVXNHHN-MBOZVWFJSA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001049716998 1241977883 /nfs/dbraw/zinc/97/78/83/1241977883.db2.gz BYUGJPWXVXNHHN-MBOZVWFJSA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761152 1242117535 /nfs/dbraw/zinc/11/75/35/1242117535.db2.gz FXZFBZWVCKJYKX-ZWKOTPCHSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761152 1242117537 /nfs/dbraw/zinc/11/75/37/1242117537.db2.gz FXZFBZWVCKJYKX-ZWKOTPCHSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049913591 1242678314 /nfs/dbraw/zinc/67/83/14/1242678314.db2.gz DDMBRQBHIKZUBX-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049928054 1242749824 /nfs/dbraw/zinc/74/98/24/1242749824.db2.gz ZZQLDHGRRPKEFP-ROUUACIJSA-N 2 1 343.471 2.434 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCC(=C)C)C[C@H]32)CC1 ZINC001050208582 1243125509 /nfs/dbraw/zinc/12/55/09/1243125509.db2.gz OKCHIRFNWGJIDC-VQTJNVASSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)CC1 ZINC001050520755 1243776748 /nfs/dbraw/zinc/77/67/48/1243776748.db2.gz JMFGJMAUVAKWBX-SFHVURJKSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050686821 1244126970 /nfs/dbraw/zinc/12/69/70/1244126970.db2.gz CMXJFDHVBRYNBQ-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=C)Cl)CC2)CC1 ZINC001052957837 1245554518 /nfs/dbraw/zinc/55/45/18/1245554518.db2.gz JJZLCVOPRVYIRG-QGZVFWFLSA-N 2 1 337.895 2.055 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053033799 1245727982 /nfs/dbraw/zinc/72/79/82/1245727982.db2.gz URNPWNJLEYQATN-RTBURBONSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053033799 1245727989 /nfs/dbraw/zinc/72/79/89/1245727989.db2.gz URNPWNJLEYQATN-RTBURBONSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107609 1245925957 /nfs/dbraw/zinc/92/59/57/1245925957.db2.gz KCUDWPRYQHHEKK-RTBURBONSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107609 1245925960 /nfs/dbraw/zinc/92/59/60/1245925960.db2.gz KCUDWPRYQHHEKK-RTBURBONSA-N 2 1 342.487 2.308 20 30 EEEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)CO2 ZINC001053980119 1247102010 /nfs/dbraw/zinc/10/20/10/1247102010.db2.gz HPHXGFFMPGIATE-ROUUACIJSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)CO2 ZINC001053980119 1247102020 /nfs/dbraw/zinc/10/20/20/1247102020.db2.gz HPHXGFFMPGIATE-ROUUACIJSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)C)CC1 ZINC001098460830 1257697487 /nfs/dbraw/zinc/69/74/87/1257697487.db2.gz KNYGWHRAPNKDPJ-QRVBRYPASA-N 2 1 331.504 2.099 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001099106930 1257970349 /nfs/dbraw/zinc/97/03/49/1257970349.db2.gz SDBGWDMHXLPKSH-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106930 1257970351 /nfs/dbraw/zinc/97/03/51/1257970351.db2.gz SDBGWDMHXLPKSH-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106930 1257970354 /nfs/dbraw/zinc/97/03/54/1257970354.db2.gz SDBGWDMHXLPKSH-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185788830 1278783321 /nfs/dbraw/zinc/78/33/21/1278783321.db2.gz QHFMSANIXRKFKD-AZUAARDMSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185788830 1278783327 /nfs/dbraw/zinc/78/33/27/1278783327.db2.gz QHFMSANIXRKFKD-AZUAARDMSA-N 2 1 341.499 2.216 20 30 EEEDMP CN(CCC#N)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850396968 1277211735 /nfs/dbraw/zinc/21/17/35/1277211735.db2.gz RLWDHCRACUJRHT-HXUWFJFHSA-N 2 1 342.487 2.379 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189771643 1280493036 /nfs/dbraw/zinc/49/30/36/1280493036.db2.gz PSAZSRFSRQQANO-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC(CC)CC)C2)CC1 ZINC001194247795 1282956929 /nfs/dbraw/zinc/95/69/29/1282956929.db2.gz ZPQHRWKBAUBGAH-LJQANCHMSA-N 2 1 333.520 2.301 20 30 EEEDMP C=CCN1C[C@H](c2ccccc2)[C@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711416 1283886627 /nfs/dbraw/zinc/88/66/27/1283886627.db2.gz CWGUTUCJOJVMJZ-TZIWHRDSSA-N 2 1 341.499 2.442 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071974135 1295057999 /nfs/dbraw/zinc/05/79/99/1295057999.db2.gz KYUDSRPIBKWNGY-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001072812001 1296171402 /nfs/dbraw/zinc/17/14/02/1296171402.db2.gz OQXJMKXMTACEFY-INIZCTEOSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072812001 1296171407 /nfs/dbraw/zinc/17/14/07/1296171407.db2.gz OQXJMKXMTACEFY-INIZCTEOSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072812001 1296171429 /nfs/dbraw/zinc/17/14/29/1296171429.db2.gz OQXJMKXMTACEFY-INIZCTEOSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072812001 1296171437 /nfs/dbraw/zinc/17/14/37/1296171437.db2.gz OQXJMKXMTACEFY-INIZCTEOSA-N 2 1 339.911 2.251 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001073478684 1297119734 /nfs/dbraw/zinc/11/97/34/1297119734.db2.gz TXUMCBKWIGITNM-UHFFFAOYSA-N 2 1 343.471 2.293 20 30 EEEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218820185 1297811406 /nfs/dbraw/zinc/81/14/06/1297811406.db2.gz ZNOMXGJYABDVMO-ZWKOTPCHSA-N 2 1 339.524 2.210 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001074824746 1298320679 /nfs/dbraw/zinc/32/06/79/1298320679.db2.gz OMAOIHHULHEVAW-JYJNAYRXSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(Cc2cccc(C)c2)CCC[NH2+]1 ZINC001220868659 1298566613 /nfs/dbraw/zinc/56/66/13/1298566613.db2.gz NVHQRZAUKQABHL-FPOVZHCZSA-N 2 1 341.499 2.426 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)N(C)CC)[C@@H]2C1 ZINC001221942427 1299215678 /nfs/dbraw/zinc/21/56/78/1299215678.db2.gz LLAUMYQOUXHXPN-GUDVDZBRSA-N 2 1 327.472 2.398 20 30 EEEDMP Cn1cncc1CN1c2ccccc2[C@]2(CC[N@@H+](CCCC#N)C2)C1=O ZINC001276951797 1300455074 /nfs/dbraw/zinc/45/50/74/1300455074.db2.gz RWTJZTLKGRFRTE-HXUWFJFHSA-N 2 1 349.438 2.214 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001228602313 1302333295 /nfs/dbraw/zinc/33/32/95/1302333295.db2.gz HOULVSDKQFKACD-GPMSIDNRSA-N 2 1 337.483 2.239 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360393 1302814866 /nfs/dbraw/zinc/81/48/66/1302814866.db2.gz BYUCRLPYDQZFOS-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001103360393 1302814870 /nfs/dbraw/zinc/81/48/70/1302814870.db2.gz BYUCRLPYDQZFOS-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001103360393 1302814882 /nfs/dbraw/zinc/81/48/82/1302814882.db2.gz BYUCRLPYDQZFOS-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1cccnc1 ZINC001230846837 1303498594 /nfs/dbraw/zinc/49/85/94/1303498594.db2.gz YOTNULVXAWTFQW-SFHVURJKSA-N 2 1 344.503 2.308 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1cccnc1 ZINC001230846837 1303498595 /nfs/dbraw/zinc/49/85/95/1303498595.db2.gz YOTNULVXAWTFQW-SFHVURJKSA-N 2 1 344.503 2.308 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1cccnc1 ZINC001230846837 1303498596 /nfs/dbraw/zinc/49/85/96/1303498596.db2.gz YOTNULVXAWTFQW-SFHVURJKSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)CCC[NH+]1CCCC1)Cc1cccnc1 ZINC001230931785 1303550434 /nfs/dbraw/zinc/55/04/34/1303550434.db2.gz FPFKJNQRAMDZOG-UHFFFAOYSA-N 2 1 344.503 2.452 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001112111279 1304249523 /nfs/dbraw/zinc/24/95/23/1304249523.db2.gz ORIFPFZNVXAMHD-KFWWJZLASA-N 2 1 347.425 2.416 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112116965 1304254690 /nfs/dbraw/zinc/25/46/90/1304254690.db2.gz KTUHHNQARJROEZ-RBSFLKMASA-N 2 1 347.425 2.416 20 30 EEEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)N3CCC#N)cc1 ZINC001277939449 1305203551 /nfs/dbraw/zinc/20/35/51/1305203551.db2.gz SOESPVQXFQMFBE-KDURUIRLSA-N 2 1 342.487 2.189 20 30 EEEDMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3CCC#N)cc1 ZINC001277939449 1305203560 /nfs/dbraw/zinc/20/35/60/1305203560.db2.gz SOESPVQXFQMFBE-KDURUIRLSA-N 2 1 342.487 2.189 20 30 EEEDMP N#Cc1ccc(N2CCC[N@@H+](Cc3cccc4cncn43)CC2)nc1 ZINC001238120084 1306233292 /nfs/dbraw/zinc/23/32/92/1306233292.db2.gz UBLYQFUMRMHGIL-UHFFFAOYSA-N 2 1 332.411 2.313 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423412 1309526694 /nfs/dbraw/zinc/52/66/94/1309526694.db2.gz UHGVFZPLOCBKAB-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150394445 1316254026 /nfs/dbraw/zinc/25/40/26/1316254026.db2.gz JFFZJLQIYLJRTK-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731848 1316357094 /nfs/dbraw/zinc/35/70/94/1316357094.db2.gz SFZRTLVJWMQVLO-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001252615592 1317646979 /nfs/dbraw/zinc/64/69/79/1317646979.db2.gz AOAHJWYRLGBGNA-FQEVSTJZSA-N 2 1 331.504 2.241 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC#Cc1ccc(F)cc1 ZINC001156525444 1318052908 /nfs/dbraw/zinc/05/29/08/1318052908.db2.gz ORSPIJNUYUATSL-QGZVFWFLSA-N 2 1 347.478 2.346 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC#Cc1ccc(F)cc1 ZINC001156525444 1318052916 /nfs/dbraw/zinc/05/29/16/1318052916.db2.gz ORSPIJNUYUATSL-QGZVFWFLSA-N 2 1 347.478 2.346 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC#Cc1ccc(F)cc1 ZINC001156525444 1318052925 /nfs/dbraw/zinc/05/29/25/1318052925.db2.gz ORSPIJNUYUATSL-QGZVFWFLSA-N 2 1 347.478 2.346 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175559 1320090966 /nfs/dbraw/zinc/09/09/66/1320090966.db2.gz YONOKTNKLHJDRS-GDBMZVCRSA-N 2 1 325.884 2.218 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175559 1320090969 /nfs/dbraw/zinc/09/09/69/1320090969.db2.gz YONOKTNKLHJDRS-GDBMZVCRSA-N 2 1 325.884 2.218 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175559 1320090974 /nfs/dbraw/zinc/09/09/74/1320090974.db2.gz YONOKTNKLHJDRS-GDBMZVCRSA-N 2 1 325.884 2.218 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175559 1320090977 /nfs/dbraw/zinc/09/09/77/1320090977.db2.gz YONOKTNKLHJDRS-GDBMZVCRSA-N 2 1 325.884 2.218 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001160546737 1320192855 /nfs/dbraw/zinc/19/28/55/1320192855.db2.gz WXJNHJNZNBXVQV-UHFFFAOYSA-N 2 1 340.471 2.070 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001161250744 1320434789 /nfs/dbraw/zinc/43/47/89/1320434789.db2.gz DOMIYQUXXBBWAZ-UHFFFAOYSA-N 2 1 334.439 2.024 20 30 EEEDMP CC#CC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465240 1320508880 /nfs/dbraw/zinc/50/88/80/1320508880.db2.gz DZTNYWPZNZLDJB-UHFFFAOYSA-N 2 1 328.460 2.133 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465240 1320508881 /nfs/dbraw/zinc/50/88/81/1320508881.db2.gz DZTNYWPZNZLDJB-UHFFFAOYSA-N 2 1 328.460 2.133 20 30 EEEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001162747187 1320948706 /nfs/dbraw/zinc/94/87/06/1320948706.db2.gz OOMNSPPTEGPGBK-LJQANCHMSA-N 2 1 329.488 2.318 20 30 EEEDMP C[NH+]1CCC(C)(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001208114042 1324322104 /nfs/dbraw/zinc/32/21/04/1324322104.db2.gz QALIPLWEJWVYEJ-UHFFFAOYSA-N 2 1 327.476 2.197 20 30 EEEDMP C=CCC1(O)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001332738726 1335895373 /nfs/dbraw/zinc/89/53/73/1335895373.db2.gz KJBQEBGXXHOCKF-UHFFFAOYSA-N 2 1 347.478 2.481 20 30 EEEDMP CC(C)C[C@@H]([NH3+])CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001575627020 1343847560 /nfs/dbraw/zinc/84/75/60/1343847560.db2.gz GVDQGZGNSJPFPO-LJQANCHMSA-N 2 1 342.487 2.356 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073633830 1370900837 /nfs/dbraw/zinc/90/08/37/1370900837.db2.gz HVFVBZVUZSLGFB-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001073633830 1370900844 /nfs/dbraw/zinc/90/08/44/1370900844.db2.gz HVFVBZVUZSLGFB-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001073633830 1370900848 /nfs/dbraw/zinc/90/08/48/1370900848.db2.gz HVFVBZVUZSLGFB-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000838586919 1372853386 /nfs/dbraw/zinc/85/33/86/1372853386.db2.gz JEFJFCPINWBBNU-PKOBYXMFSA-N 2 1 344.503 2.241 20 30 EEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100679945 1373118782 /nfs/dbraw/zinc/11/87/82/1373118782.db2.gz WSNUZFLFAGSOEE-JTTJXQCZSA-N 2 1 325.472 2.259 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001369843840 1374677171 /nfs/dbraw/zinc/67/71/71/1374677171.db2.gz DZXKRDFHCZJZOD-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001369843840 1374677173 /nfs/dbraw/zinc/67/71/73/1374677173.db2.gz DZXKRDFHCZJZOD-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001369843840 1374677177 /nfs/dbraw/zinc/67/71/77/1374677177.db2.gz DZXKRDFHCZJZOD-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001369843840 1374677181 /nfs/dbraw/zinc/67/71/81/1374677181.db2.gz DZXKRDFHCZJZOD-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)s1)C1CCC1 ZINC001377404248 1379209960 /nfs/dbraw/zinc/20/99/60/1379209960.db2.gz IYOUABOZAUEWKL-OAHLLOKOSA-N 2 1 346.500 2.185 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)s1)C1CCC1 ZINC001377404248 1379209964 /nfs/dbraw/zinc/20/99/64/1379209964.db2.gz IYOUABOZAUEWKL-OAHLLOKOSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1)C1CCC1 ZINC001377404248 1379209969 /nfs/dbraw/zinc/20/99/69/1379209969.db2.gz IYOUABOZAUEWKL-OAHLLOKOSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1)C1CCC1 ZINC001377404248 1379209973 /nfs/dbraw/zinc/20/99/73/1379209973.db2.gz IYOUABOZAUEWKL-OAHLLOKOSA-N 2 1 346.500 2.185 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001377676319 1379433695 /nfs/dbraw/zinc/43/36/95/1379433695.db2.gz ZPSFSTPVLXPYAR-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001377676319 1379433696 /nfs/dbraw/zinc/43/36/96/1379433696.db2.gz ZPSFSTPVLXPYAR-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Br)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001377766311 1379506216 /nfs/dbraw/zinc/50/62/16/1379506216.db2.gz XIWLOIMJJHHXIU-KBPBESRZSA-N 2 1 346.313 2.016 20 30 EEEDMP C=C(Br)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001377766311 1379506224 /nfs/dbraw/zinc/50/62/24/1379506224.db2.gz XIWLOIMJJHHXIU-KBPBESRZSA-N 2 1 346.313 2.016 20 30 EEEDMP C[N@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001378073224 1379684596 /nfs/dbraw/zinc/68/45/96/1379684596.db2.gz OHGQIFLQQQEGDE-AWEZNQCLSA-N 2 1 348.516 2.288 20 30 EEEDMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001378073224 1379684601 /nfs/dbraw/zinc/68/46/01/1379684601.db2.gz OHGQIFLQQQEGDE-AWEZNQCLSA-N 2 1 348.516 2.288 20 30 EEEDMP C[NH+](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001378073224 1379684603 /nfs/dbraw/zinc/68/46/03/1379684603.db2.gz OHGQIFLQQQEGDE-AWEZNQCLSA-N 2 1 348.516 2.288 20 30 EEEDMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001378073224 1379684607 /nfs/dbraw/zinc/68/46/07/1379684607.db2.gz OHGQIFLQQQEGDE-AWEZNQCLSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001378893655 1380243497 /nfs/dbraw/zinc/24/34/97/1380243497.db2.gz COANXJOPRSNMJD-RHSMWYFYSA-N 2 1 348.516 2.288 20 30 EEEDMP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001392594542 1390108639 /nfs/dbraw/zinc/10/86/39/1390108639.db2.gz VBAWDNTUXBZOHM-AWEZNQCLSA-N 2 1 348.466 2.270 20 30 EEEDMP C=C(Cl)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001392973555 1390270353 /nfs/dbraw/zinc/27/03/53/1390270353.db2.gz CIKYKENNGYVVIH-INIZCTEOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001392973555 1390270356 /nfs/dbraw/zinc/27/03/56/1390270356.db2.gz CIKYKENNGYVVIH-INIZCTEOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001392973555 1390270360 /nfs/dbraw/zinc/27/03/60/1390270360.db2.gz CIKYKENNGYVVIH-INIZCTEOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001393208645 1390374991 /nfs/dbraw/zinc/37/49/91/1390374991.db2.gz RXUZACVRXSVQNM-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001393208645 1390374994 /nfs/dbraw/zinc/37/49/94/1390374994.db2.gz RXUZACVRXSVQNM-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001401141704 1396975882 /nfs/dbraw/zinc/97/58/82/1396975882.db2.gz VFRGNVOPRLGDIJ-KDOFPFPSSA-N 2 1 346.450 2.024 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001401302365 1397136424 /nfs/dbraw/zinc/13/64/24/1397136424.db2.gz VUGMCJHNVRUBKB-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001401385341 1397217163 /nfs/dbraw/zinc/21/71/63/1397217163.db2.gz JDXJBJBHTSRASV-GOSISDBHSA-N 2 1 330.476 2.035 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001402066401 1397743987 /nfs/dbraw/zinc/74/39/87/1397743987.db2.gz RGDRTXWHHBTGFL-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001403166787 1398447211 /nfs/dbraw/zinc/44/72/11/1398447211.db2.gz LJTSLGHLBSRZPB-CZUORRHYSA-N 2 1 336.505 2.142 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001403166787 1398447214 /nfs/dbraw/zinc/44/72/14/1398447214.db2.gz LJTSLGHLBSRZPB-CZUORRHYSA-N 2 1 336.505 2.142 20 30 EEEDMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001754946800 1407009307 /nfs/dbraw/zinc/00/93/07/1407009307.db2.gz XOBMXCYGOPYEGO-UHFFFAOYSA-N 2 1 341.499 2.490 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001422517091 1399976124 /nfs/dbraw/zinc/97/61/24/1399976124.db2.gz LJTSLGHLBSRZPB-CJNGLKHVSA-N 2 1 336.505 2.142 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001422517091 1399976133 /nfs/dbraw/zinc/97/61/33/1399976133.db2.gz LJTSLGHLBSRZPB-CJNGLKHVSA-N 2 1 336.505 2.142 20 30 EEEDMP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001755360156 1407358185 /nfs/dbraw/zinc/35/81/85/1407358185.db2.gz SEPMSAFAJZYQMS-APWZRJJASA-N 2 1 339.499 2.487 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001755458732 1407487746 /nfs/dbraw/zinc/48/77/46/1407487746.db2.gz RHKWXWBQXJADAO-UHFFFAOYSA-N 2 1 339.483 2.066 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001755458732 1407487750 /nfs/dbraw/zinc/48/77/50/1407487750.db2.gz RHKWXWBQXJADAO-UHFFFAOYSA-N 2 1 339.483 2.066 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001755458732 1407487756 /nfs/dbraw/zinc/48/77/56/1407487756.db2.gz RHKWXWBQXJADAO-UHFFFAOYSA-N 2 1 339.483 2.066 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001755458732 1407487764 /nfs/dbraw/zinc/48/77/64/1407487764.db2.gz RHKWXWBQXJADAO-UHFFFAOYSA-N 2 1 339.483 2.066 20 30 EEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001121628076 1410236842 /nfs/dbraw/zinc/23/68/42/1410236842.db2.gz ARZIJBCWQNFIPN-QAELIBMJSA-N 2 1 349.519 2.079 20 30 EEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001121628076 1410236846 /nfs/dbraw/zinc/23/68/46/1410236846.db2.gz ARZIJBCWQNFIPN-QAELIBMJSA-N 2 1 349.519 2.079 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@@H]2CC)CC1 ZINC001087839213 782349690 /nfs/dbraw/zinc/34/96/90/782349690.db2.gz PYIRLOZBIOUKEN-VQTJNVASSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001075454044 760708925 /nfs/dbraw/zinc/70/89/25/760708925.db2.gz JWYOKMQLFAWZNN-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075454044 760708933 /nfs/dbraw/zinc/70/89/33/760708933.db2.gz JWYOKMQLFAWZNN-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075454044 760708942 /nfs/dbraw/zinc/70/89/42/760708942.db2.gz JWYOKMQLFAWZNN-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454088 760709078 /nfs/dbraw/zinc/70/90/78/760709078.db2.gz KTWKWOTZRZMSLM-YLJYHZDGSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3cnc[nH]3)CC2)CC1 ZINC001075458763 760850612 /nfs/dbraw/zinc/85/06/12/760850612.db2.gz PFIOAVOYDSPCNN-KRWDZBQOSA-N 2 1 342.487 2.316 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020744 764798787 /nfs/dbraw/zinc/79/87/87/764798787.db2.gz YJTARYYCPQWLSX-ICSRJNTNSA-N 2 1 331.504 2.247 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001098605220 765088368 /nfs/dbraw/zinc/08/83/68/765088368.db2.gz GYXAJNHMPVGDLL-QGZVFWFLSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530880 782632785 /nfs/dbraw/zinc/63/27/85/782632785.db2.gz XTNCBJMLOHRCRV-PXNSSMCTSA-N 2 1 341.499 2.254 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000979712477 770929112 /nfs/dbraw/zinc/92/91/12/770929112.db2.gz MUFBCCJVTXLNPN-GBESFXJTSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107165 782921970 /nfs/dbraw/zinc/92/19/70/782921970.db2.gz KNABQAJMLWDQLX-KSZLIROESA-N 2 1 342.487 2.110 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107165 782921976 /nfs/dbraw/zinc/92/19/76/782921976.db2.gz KNABQAJMLWDQLX-KSZLIROESA-N 2 1 342.487 2.110 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166549 783011161 /nfs/dbraw/zinc/01/11/61/783011161.db2.gz HBFVOFVXCHAGIM-QYZOEREBSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166549 783011163 /nfs/dbraw/zinc/01/11/63/783011163.db2.gz HBFVOFVXCHAGIM-QYZOEREBSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166549 783011170 /nfs/dbraw/zinc/01/11/70/783011170.db2.gz HBFVOFVXCHAGIM-QYZOEREBSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089643868 773674252 /nfs/dbraw/zinc/67/42/52/773674252.db2.gz CMJHNPAKPGKGFP-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089643868 773674256 /nfs/dbraw/zinc/67/42/56/773674256.db2.gz CMJHNPAKPGKGFP-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089643868 773674260 /nfs/dbraw/zinc/67/42/60/773674260.db2.gz CMJHNPAKPGKGFP-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001089869546 783131075 /nfs/dbraw/zinc/13/10/75/783131075.db2.gz LWLVDOBCAVZYKP-VJANTYMQSA-N 2 1 331.504 2.073 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)CC[NH+](C)C)c1ccccc1O2 ZINC001111531807 790358316 /nfs/dbraw/zinc/35/83/16/790358316.db2.gz IXONNERSDGYOLS-YLJYHZDGSA-N 2 1 343.471 2.209 20 30 EEEDMP N#Cc1cccc(C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001031846744 777298528 /nfs/dbraw/zinc/29/85/28/777298528.db2.gz YYVGUUDMYOEZFD-UHFFFAOYSA-N 2 1 345.406 2.068 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981914945 778545870 /nfs/dbraw/zinc/54/58/70/778545870.db2.gz URSSONKEERMWHZ-SFHVURJKSA-N 2 1 331.504 2.361 20 30 EEEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001127679131 778670943 /nfs/dbraw/zinc/67/09/43/778670943.db2.gz IMDJWGLVWUCUOE-OAHLLOKOSA-N 2 1 339.443 2.174 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000982011625 778857738 /nfs/dbraw/zinc/85/77/38/778857738.db2.gz GVWBPBFULCRQII-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000982011625 778857744 /nfs/dbraw/zinc/85/77/44/778857744.db2.gz GVWBPBFULCRQII-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000982011625 778857754 /nfs/dbraw/zinc/85/77/54/778857754.db2.gz GVWBPBFULCRQII-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000982011625 778857758 /nfs/dbraw/zinc/85/77/58/778857758.db2.gz GVWBPBFULCRQII-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116994 779127841 /nfs/dbraw/zinc/12/78/41/779127841.db2.gz WOYHSDCYSYNHGQ-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@]2(C)C1 ZINC000982318749 779698150 /nfs/dbraw/zinc/69/81/50/779698150.db2.gz IVXADNQTEJMDJR-KDURUIRLSA-N 2 1 346.475 2.096 20 30 EEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@]2(C)C1 ZINC000982318749 779698155 /nfs/dbraw/zinc/69/81/55/779698155.db2.gz IVXADNQTEJMDJR-KDURUIRLSA-N 2 1 346.475 2.096 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001105395781 781888529 /nfs/dbraw/zinc/88/85/29/781888529.db2.gz FLEWRYBKRRVYKR-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001105395781 781888536 /nfs/dbraw/zinc/88/85/36/781888536.db2.gz FLEWRYBKRRVYKR-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001105395781 781888548 /nfs/dbraw/zinc/88/85/48/781888548.db2.gz FLEWRYBKRRVYKR-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942824345 783259070 /nfs/dbraw/zinc/25/90/70/783259070.db2.gz XMTPOYJGMCRWIQ-UKRRQHHQSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942824345 783259078 /nfs/dbraw/zinc/25/90/78/783259078.db2.gz XMTPOYJGMCRWIQ-UKRRQHHQSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942824345 783259088 /nfs/dbraw/zinc/25/90/88/783259088.db2.gz XMTPOYJGMCRWIQ-UKRRQHHQSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942824345 783259096 /nfs/dbraw/zinc/25/90/96/783259096.db2.gz XMTPOYJGMCRWIQ-UKRRQHHQSA-N 2 1 327.900 2.297 20 30 EEEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000809742972 783354466 /nfs/dbraw/zinc/35/44/66/783354466.db2.gz OZTZZEIAYMADHO-QGZVFWFLSA-N 2 1 330.476 2.047 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001135437050 783766822 /nfs/dbraw/zinc/76/68/22/783766822.db2.gz LDRNBZRUFBUARL-UHFFFAOYSA-N 2 1 348.466 2.415 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575045 783901235 /nfs/dbraw/zinc/90/12/35/783901235.db2.gz OMNINOIJEMVWLJ-RTBURBONSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575045 783901240 /nfs/dbraw/zinc/90/12/40/783901240.db2.gz OMNINOIJEMVWLJ-RTBURBONSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575045 783901244 /nfs/dbraw/zinc/90/12/44/783901244.db2.gz OMNINOIJEMVWLJ-RTBURBONSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035201335 784044051 /nfs/dbraw/zinc/04/40/51/784044051.db2.gz UUWAATSAQZUGJX-UHFFFAOYSA-N 2 1 343.515 2.200 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035237399 784156673 /nfs/dbraw/zinc/15/66/73/784156673.db2.gz JQLVWSKZMWMWKF-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035237399 784156677 /nfs/dbraw/zinc/15/66/77/784156677.db2.gz JQLVWSKZMWMWKF-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035237399 784156684 /nfs/dbraw/zinc/15/66/84/784156684.db2.gz JQLVWSKZMWMWKF-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC000996209611 786156153 /nfs/dbraw/zinc/15/61/53/786156153.db2.gz VLMRTAFILNANIX-DOTOQJQBSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485207 787381823 /nfs/dbraw/zinc/38/18/23/787381823.db2.gz OYJNQNCAAYQYSG-SVFBPWRDSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107543894 787564753 /nfs/dbraw/zinc/56/47/53/787564753.db2.gz BOIMXHHRUYJMJX-QWFCFKBJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550443 787579070 /nfs/dbraw/zinc/57/90/70/787579070.db2.gz VQSGBDWYSHRCGK-NSISKUIASA-N 2 1 349.494 2.193 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000996937129 788202130 /nfs/dbraw/zinc/20/21/30/788202130.db2.gz VMJKWFVUCFDLHT-CQSZACIVSA-N 2 1 336.867 2.087 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000996995722 788394994 /nfs/dbraw/zinc/39/49/94/788394994.db2.gz PMTCOJJAMPJPEJ-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997192047 789415981 /nfs/dbraw/zinc/41/59/81/789415981.db2.gz UMKZBDQLBVJGBY-MJGOQNOKSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941976 789561484 /nfs/dbraw/zinc/56/14/84/789561484.db2.gz PEEHEGKWVNAWBC-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107941976 789561492 /nfs/dbraw/zinc/56/14/92/789561492.db2.gz PEEHEGKWVNAWBC-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107941976 789561499 /nfs/dbraw/zinc/56/14/99/789561499.db2.gz PEEHEGKWVNAWBC-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946905020 789622930 /nfs/dbraw/zinc/62/29/30/789622930.db2.gz YPEGSLVNZJCPHD-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC[C@@H]2C1 ZINC000946904959 789623362 /nfs/dbraw/zinc/62/33/62/789623362.db2.gz VITBOXQGPILKIY-HSALFYBXSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC[C@@H]2C1 ZINC000946904959 789623370 /nfs/dbraw/zinc/62/33/70/789623370.db2.gz VITBOXQGPILKIY-HSALFYBXSA-N 2 1 339.483 2.093 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146338902 791192057 /nfs/dbraw/zinc/19/20/57/791192057.db2.gz ISVYQLOJNRNOJJ-DLBZAZTESA-N 2 1 338.455 2.116 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998189159 792173242 /nfs/dbraw/zinc/17/32/42/792173242.db2.gz LXOKDTHPDCADMO-HZPDHXFCSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998189159 792173244 /nfs/dbraw/zinc/17/32/44/792173244.db2.gz LXOKDTHPDCADMO-HZPDHXFCSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998189159 792173249 /nfs/dbraw/zinc/17/32/49/792173249.db2.gz LXOKDTHPDCADMO-HZPDHXFCSA-N 2 1 327.900 2.394 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001148153879 792193361 /nfs/dbraw/zinc/19/33/61/792193361.db2.gz WYEDTJDLURYBFV-UHFFFAOYSA-N 2 1 331.460 2.455 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684502 792224535 /nfs/dbraw/zinc/22/45/35/792224535.db2.gz GLNBDUWKSKNMLV-FCEWJHQRSA-N 2 1 330.476 2.363 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684502 792224545 /nfs/dbraw/zinc/22/45/45/792224545.db2.gz GLNBDUWKSKNMLV-FCEWJHQRSA-N 2 1 330.476 2.363 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001086938324 793023038 /nfs/dbraw/zinc/02/30/38/793023038.db2.gz NKUJFQFVAYQDDK-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992374731 793867532 /nfs/dbraw/zinc/86/75/32/793867532.db2.gz YFIXOSCFPHFTKR-UYAOXDASSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092774017 794354897 /nfs/dbraw/zinc/35/48/97/794354897.db2.gz FNGCYQDLFSTZEE-UKRRQHHQSA-N 2 1 325.884 2.051 20 30 EEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854569 794417476 /nfs/dbraw/zinc/41/74/76/794417476.db2.gz PSOOHDSWKAYCOG-SJLPKXTDSA-N 2 1 329.488 2.274 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997251 795303693 /nfs/dbraw/zinc/30/36/93/795303693.db2.gz VCIAGKUWJGVMJG-VQIMIIECSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107997251 795303696 /nfs/dbraw/zinc/30/36/96/795303696.db2.gz VCIAGKUWJGVMJG-VQIMIIECSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001107997251 795303702 /nfs/dbraw/zinc/30/37/02/795303702.db2.gz VCIAGKUWJGVMJG-VQIMIIECSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001093543471 795354466 /nfs/dbraw/zinc/35/44/66/795354466.db2.gz SIQMNWXPJLGFDK-QGZVFWFLSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001093543471 795354476 /nfs/dbraw/zinc/35/44/76/795354476.db2.gz SIQMNWXPJLGFDK-QGZVFWFLSA-N 2 1 349.519 2.129 20 30 EEEDMP CC(C)(C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)[NH+]1CCCCC1 ZINC001127317251 795356477 /nfs/dbraw/zinc/35/64/77/795356477.db2.gz LJVXXXZCWYCZJI-UHFFFAOYSA-N 2 1 346.450 2.168 20 30 EEEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089960120 795619025 /nfs/dbraw/zinc/61/90/25/795619025.db2.gz YOKNQPCOCGRIEV-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089960120 795619026 /nfs/dbraw/zinc/61/90/26/795619026.db2.gz YOKNQPCOCGRIEV-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089960120 795619027 /nfs/dbraw/zinc/61/90/27/795619027.db2.gz YOKNQPCOCGRIEV-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430776 796222403 /nfs/dbraw/zinc/22/24/03/796222403.db2.gz WAFVQRAFKBHZNC-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430776 796222409 /nfs/dbraw/zinc/22/24/09/796222409.db2.gz WAFVQRAFKBHZNC-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430776 796222411 /nfs/dbraw/zinc/22/24/11/796222411.db2.gz WAFVQRAFKBHZNC-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432804 796226551 /nfs/dbraw/zinc/22/65/51/796226551.db2.gz BGBYTCIVIKBYCU-SFHLNBCPSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432804 796226556 /nfs/dbraw/zinc/22/65/56/796226556.db2.gz BGBYTCIVIKBYCU-SFHLNBCPSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432804 796226557 /nfs/dbraw/zinc/22/65/57/796226557.db2.gz BGBYTCIVIKBYCU-SFHLNBCPSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC000993826442 797056857 /nfs/dbraw/zinc/05/68/57/797056857.db2.gz QCQAFYWIWKHAET-GDBMZVCRSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001082059526 797145974 /nfs/dbraw/zinc/14/59/74/797145974.db2.gz SGNCSEQEKDYXMS-CEXWTWQISA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082059526 797145979 /nfs/dbraw/zinc/14/59/79/797145979.db2.gz SGNCSEQEKDYXMS-CEXWTWQISA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082059526 797145983 /nfs/dbraw/zinc/14/59/83/797145983.db2.gz SGNCSEQEKDYXMS-CEXWTWQISA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(Cl)CN1CCC[C@@H](NC(=O)CN2CCC(C)CC2)[C@H]1C ZINC000994061871 797268962 /nfs/dbraw/zinc/26/89/62/797268962.db2.gz VNIQABHOCBGYTR-HZPDHXFCSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994119519 797301854 /nfs/dbraw/zinc/30/18/54/797301854.db2.gz XCCCNULHKQELGW-CRAIPNDOSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994119519 797301857 /nfs/dbraw/zinc/30/18/57/797301857.db2.gz XCCCNULHKQELGW-CRAIPNDOSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001150332203 797700195 /nfs/dbraw/zinc/70/01/95/797700195.db2.gz GZLJUFFTMCLGDI-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150332203 797700198 /nfs/dbraw/zinc/70/01/98/797700198.db2.gz GZLJUFFTMCLGDI-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150332203 797700199 /nfs/dbraw/zinc/70/01/99/797700199.db2.gz GZLJUFFTMCLGDI-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)[C@H]2C)CC1 ZINC000994494876 798094262 /nfs/dbraw/zinc/09/42/62/798094262.db2.gz FWDNIIRKHKWIGA-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403103 798198651 /nfs/dbraw/zinc/19/86/51/798198651.db2.gz FULBMWUXIVCXQT-GUDVDZBRSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403103 798198656 /nfs/dbraw/zinc/19/86/56/798198656.db2.gz FULBMWUXIVCXQT-GUDVDZBRSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403103 798198659 /nfs/dbraw/zinc/19/86/59/798198659.db2.gz FULBMWUXIVCXQT-GUDVDZBRSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178729337 799617898 /nfs/dbraw/zinc/61/78/98/799617898.db2.gz UKZSCOLKFRWUBO-GOSISDBHSA-N 2 1 339.524 2.330 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001003624066 799903966 /nfs/dbraw/zinc/90/39/66/799903966.db2.gz KPAYKUXGGMUSKP-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001179420522 799926917 /nfs/dbraw/zinc/92/69/17/799926917.db2.gz NAEVSNURRUQAAB-ZVZYQTTQSA-N 2 1 330.476 2.299 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001179982882 800197897 /nfs/dbraw/zinc/19/78/97/800197897.db2.gz GBMIUXMBLQFFBY-LPHOPBHVSA-N 2 1 345.462 2.098 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085229869 800264831 /nfs/dbraw/zinc/26/48/31/800264831.db2.gz OGOSDAWJIWWIGH-QRVBRYPASA-N 2 1 331.504 2.291 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085229869 800264835 /nfs/dbraw/zinc/26/48/35/800264835.db2.gz OGOSDAWJIWWIGH-QRVBRYPASA-N 2 1 331.504 2.291 20 30 EEEDMP C=CCC[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001003851498 800345519 /nfs/dbraw/zinc/34/55/19/800345519.db2.gz DITVGTZKNXSARB-UHFFFAOYSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001181992318 800985964 /nfs/dbraw/zinc/98/59/64/800985964.db2.gz NDJJCBDXOFIDDU-RDTXWAMCSA-N 2 1 334.464 2.000 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184578224 802079960 /nfs/dbraw/zinc/07/99/60/802079960.db2.gz SJHYEZJNLFAANG-ZFWWWQNUSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498097 802230337 /nfs/dbraw/zinc/23/03/37/802230337.db2.gz MJYIRMWSISMGMT-PMACEKPBSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001086221520 802530738 /nfs/dbraw/zinc/53/07/38/802530738.db2.gz XKQFSLWSTLCDDT-QKPAOTATSA-N 2 1 325.884 2.240 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCn2ncc(CNC(=O)CC[N@@H+](C)CC)c2C1 ZINC001128544559 802873608 /nfs/dbraw/zinc/87/36/08/802873608.db2.gz PQAFKUDQIWLKHT-INIZCTEOSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCn2ncc(CNC(=O)CC[N@H+](C)CC)c2C1 ZINC001128544559 802873611 /nfs/dbraw/zinc/87/36/11/802873611.db2.gz PQAFKUDQIWLKHT-INIZCTEOSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCn2ncc(CNC(=O)CC[NH+](C)CC)c2C1 ZINC001128544559 802873616 /nfs/dbraw/zinc/87/36/16/802873616.db2.gz PQAFKUDQIWLKHT-INIZCTEOSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCn2ncc(CNC(=O)CC[NH+](C)CC)c2C1 ZINC001128544559 802873621 /nfs/dbraw/zinc/87/36/21/802873621.db2.gz PQAFKUDQIWLKHT-INIZCTEOSA-N 2 1 347.507 2.011 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086389461 802876855 /nfs/dbraw/zinc/87/68/55/802876855.db2.gz LDMYFTTWLAXDTK-FHWLQOOXSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086389461 802876862 /nfs/dbraw/zinc/87/68/62/802876862.db2.gz LDMYFTTWLAXDTK-FHWLQOOXSA-N 2 1 331.504 2.149 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946742597 802991084 /nfs/dbraw/zinc/99/10/84/802991084.db2.gz CDMNKITYLILYBH-IYBDPMFKSA-N 2 1 331.460 2.311 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCc1ccc(Cl)cc1 ZINC001129771112 810994812 /nfs/dbraw/zinc/99/48/12/810994812.db2.gz RIFPYVDMFXYRQF-SFHVURJKSA-N 2 1 347.890 2.076 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCc1ccc(Cl)cc1 ZINC001129771112 810994820 /nfs/dbraw/zinc/99/48/20/810994820.db2.gz RIFPYVDMFXYRQF-SFHVURJKSA-N 2 1 347.890 2.076 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001440398411 1093579850 /nfs/dbraw/zinc/57/98/50/1093579850.db2.gz RQEJJRWCJWWJTQ-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001495232911 1100922370 /nfs/dbraw/zinc/92/23/70/1100922370.db2.gz KBSXIOXUMBJWJK-QUCCMNQESA-N 2 1 340.471 2.027 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001495232917 1100922853 /nfs/dbraw/zinc/92/28/53/1100922853.db2.gz KBSXIOXUMBJWJK-UYAOXDASSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(Br)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001506970707 1115020782 /nfs/dbraw/zinc/02/07/82/1115020782.db2.gz PIQRIUIHYLRYLZ-UHFFFAOYSA-N 2 1 346.313 2.160 20 30 EEEDMP C=C(Br)C[NH+](C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001506970707 1115020785 /nfs/dbraw/zinc/02/07/85/1115020785.db2.gz PIQRIUIHYLRYLZ-UHFFFAOYSA-N 2 1 346.313 2.160 20 30 EEEDMP C=C(Br)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001506970707 1115020790 /nfs/dbraw/zinc/02/07/90/1115020790.db2.gz PIQRIUIHYLRYLZ-UHFFFAOYSA-N 2 1 346.313 2.160 20 30 EEEDMP C=C(Br)C[N@H+](C)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001506970707 1115020794 /nfs/dbraw/zinc/02/07/94/1115020794.db2.gz PIQRIUIHYLRYLZ-UHFFFAOYSA-N 2 1 346.313 2.160 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H]1C ZINC001507292620 1115177177 /nfs/dbraw/zinc/17/71/77/1115177177.db2.gz LCWUYMGLNUGLSN-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528390762 268296274 /nfs/dbraw/zinc/29/62/74/268296274.db2.gz PBDNPAASSITKJW-HKUYNNGSSA-N 2 1 343.471 2.106 20 30 EEEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528390762 268296276 /nfs/dbraw/zinc/29/62/76/268296276.db2.gz PBDNPAASSITKJW-HKUYNNGSSA-N 2 1 343.471 2.106 20 30 EEEDMP C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424148472 278361228 /nfs/dbraw/zinc/36/12/28/278361228.db2.gz ULRCTGOQBFBEBH-FUHWJXTLSA-N 2 1 328.460 2.131 20 30 EEEDMP C=CCOCCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000348040501 465388985 /nfs/dbraw/zinc/38/89/85/465388985.db2.gz DOBMQRAMZXNXPR-QZTJIDSGSA-N 2 1 340.508 2.169 20 30 EEEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262401795 464019296 /nfs/dbraw/zinc/01/92/96/464019296.db2.gz NXROKUIOQQJOLU-RDJZCZTQSA-N 2 1 330.476 2.392 20 30 EEEDMP C=CCc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc(OC)c1O ZINC000289409440 464076732 /nfs/dbraw/zinc/07/67/32/464076732.db2.gz HRPADJOLHPKQNM-UHFFFAOYSA-N 2 1 347.503 2.199 20 30 EEEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000264086904 464281395 /nfs/dbraw/zinc/28/13/95/464281395.db2.gz JSBNNYYRAZVNPF-UHFFFAOYSA-N 2 1 331.508 2.448 20 30 EEEDMP CC(C)[C@H]1C[NH+](CC#CC[N@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339819369 465530652 /nfs/dbraw/zinc/53/06/52/465530652.db2.gz JIFBOVWNZTZWMN-WOJBJXKFSA-N 2 1 336.520 2.484 20 30 EEEDMP Cn1cc[nH+]c1[C@@H]1CCCN(CC(=O)Nc2sccc2C#N)C1 ZINC000373100606 466693089 /nfs/dbraw/zinc/69/30/89/466693089.db2.gz SOLJPDRBRFLVHP-CYBMUJFWSA-N 2 1 329.429 2.171 20 30 EEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(C#N)CCC1 ZINC000365910904 466986247 /nfs/dbraw/zinc/98/62/47/466986247.db2.gz BAVYVGZKIBYDGH-UHFFFAOYSA-N 2 1 346.519 2.335 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424139067 466988497 /nfs/dbraw/zinc/98/84/97/466988497.db2.gz DVTPOTNFMROXJC-JFRXWTBNSA-N 2 1 342.487 2.280 20 30 EEEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000570721218 468682747 /nfs/dbraw/zinc/68/27/47/468682747.db2.gz UZABVZJWAHVCAU-VQIMIIECSA-N 2 1 326.444 2.176 20 30 EEEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000570721218 468682750 /nfs/dbraw/zinc/68/27/50/468682750.db2.gz UZABVZJWAHVCAU-VQIMIIECSA-N 2 1 326.444 2.176 20 30 EEEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2)CCO1 ZINC000598720355 468973523 /nfs/dbraw/zinc/97/35/23/468973523.db2.gz MTQLLCCRCBAKTK-LPHOPBHVSA-N 2 1 345.487 2.298 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2)CCO1 ZINC000598720355 468973528 /nfs/dbraw/zinc/97/35/28/468973528.db2.gz MTQLLCCRCBAKTK-LPHOPBHVSA-N 2 1 345.487 2.298 20 30 EEEDMP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C#N ZINC000599301773 469200582 /nfs/dbraw/zinc/20/05/82/469200582.db2.gz ABXAJFZWPWJWGH-FQEVSTJZSA-N 2 1 326.488 2.467 20 30 EEEDMP N#CCCNC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127952 577513546 /nfs/dbraw/zinc/51/35/46/577513546.db2.gz GGQAMJODDTUGTH-MOPGFXCFSA-N 2 1 340.471 2.003 20 30 EEEDMP C#C[C@H]1CCCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000890656054 675248215 /nfs/dbraw/zinc/24/82/15/675248215.db2.gz TWPWAGDMEGALHI-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001021096361 675728964 /nfs/dbraw/zinc/72/89/64/675728964.db2.gz PAWZPJRFMDOMMW-FHWLQOOXSA-N 2 1 340.471 2.169 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001022109056 676658928 /nfs/dbraw/zinc/65/89/28/676658928.db2.gz CPWUUORVOICFJE-ZSYWTGECSA-N 2 1 340.471 2.025 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001022221173 676742869 /nfs/dbraw/zinc/74/28/69/676742869.db2.gz ZHNOLTBWWZXSFS-KSZLIROESA-N 2 1 345.874 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001022221173 676742870 /nfs/dbraw/zinc/74/28/70/676742870.db2.gz ZHNOLTBWWZXSFS-KSZLIROESA-N 2 1 345.874 2.174 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971800483 676812184 /nfs/dbraw/zinc/81/21/84/676812184.db2.gz KCECELYSCYWXEB-PBHICJAKSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971800483 676812187 /nfs/dbraw/zinc/81/21/87/676812187.db2.gz KCECELYSCYWXEB-PBHICJAKSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971800483 676812190 /nfs/dbraw/zinc/81/21/90/676812190.db2.gz KCECELYSCYWXEB-PBHICJAKSA-N 2 1 346.500 2.137 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001023403118 679292187 /nfs/dbraw/zinc/29/21/87/679292187.db2.gz DEWWYFCEUAIRGR-CVEARBPZSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001023403118 679292188 /nfs/dbraw/zinc/29/21/88/679292188.db2.gz DEWWYFCEUAIRGR-CVEARBPZSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023403118 679292189 /nfs/dbraw/zinc/29/21/89/679292189.db2.gz DEWWYFCEUAIRGR-CVEARBPZSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023403118 679292190 /nfs/dbraw/zinc/29/21/90/679292190.db2.gz DEWWYFCEUAIRGR-CVEARBPZSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450166 679315726 /nfs/dbraw/zinc/31/57/26/679315726.db2.gz FNPWTPYXEUIQNJ-INIZCTEOSA-N 2 1 339.911 2.443 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450166 679315728 /nfs/dbraw/zinc/31/57/28/679315728.db2.gz FNPWTPYXEUIQNJ-INIZCTEOSA-N 2 1 339.911 2.443 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001023671979 679467658 /nfs/dbraw/zinc/46/76/58/679467658.db2.gz QHUZWRCBRGYGHK-INIZCTEOSA-N 2 1 339.443 2.285 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001023671979 679467660 /nfs/dbraw/zinc/46/76/60/679467660.db2.gz QHUZWRCBRGYGHK-INIZCTEOSA-N 2 1 339.443 2.285 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001023671979 679467664 /nfs/dbraw/zinc/46/76/64/679467664.db2.gz QHUZWRCBRGYGHK-INIZCTEOSA-N 2 1 339.443 2.285 20 30 EEEDMP C[NH+]=C(NCc1cc(C)no1)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262843720 679556205 /nfs/dbraw/zinc/55/62/05/679556205.db2.gz XVYIOEFOFSUTTM-NVXWUHKLSA-N 2 1 341.459 2.484 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023761777 679566662 /nfs/dbraw/zinc/56/66/62/679566662.db2.gz JCTPGUGTHSFMKC-HZPDHXFCSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023761777 679566664 /nfs/dbraw/zinc/56/66/64/679566664.db2.gz JCTPGUGTHSFMKC-HZPDHXFCSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761777 679566666 /nfs/dbraw/zinc/56/66/66/679566666.db2.gz JCTPGUGTHSFMKC-HZPDHXFCSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761777 679566668 /nfs/dbraw/zinc/56/66/68/679566668.db2.gz JCTPGUGTHSFMKC-HZPDHXFCSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769851 679579460 /nfs/dbraw/zinc/57/94/60/679579460.db2.gz IKDRWQPQTYNMAZ-MRXNPFEDSA-N 2 1 331.460 2.196 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001026921827 685308308 /nfs/dbraw/zinc/30/83/08/685308308.db2.gz YAAKKASVQBXZOP-PBHICJAKSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(Cl)CN1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028592311 681239762 /nfs/dbraw/zinc/23/97/62/681239762.db2.gz KXFJXIXUVRRESI-HZPDHXFCSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028592311 681239769 /nfs/dbraw/zinc/23/97/69/681239769.db2.gz KXFJXIXUVRRESI-HZPDHXFCSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028592311 681239771 /nfs/dbraw/zinc/23/97/71/681239771.db2.gz KXFJXIXUVRRESI-HZPDHXFCSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592311 681239778 /nfs/dbraw/zinc/23/97/78/681239778.db2.gz KXFJXIXUVRRESI-HZPDHXFCSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592311 681239784 /nfs/dbraw/zinc/23/97/84/681239784.db2.gz KXFJXIXUVRRESI-HZPDHXFCSA-N 2 1 327.900 2.155 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001024652655 681318815 /nfs/dbraw/zinc/31/88/15/681318815.db2.gz RTTGPUZDRYWXJV-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001024652655 681318819 /nfs/dbraw/zinc/31/88/19/681318819.db2.gz RTTGPUZDRYWXJV-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028648349 681521858 /nfs/dbraw/zinc/52/18/58/681521858.db2.gz YULPUNOACDWBMS-HOTGVXAUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028648349 681521862 /nfs/dbraw/zinc/52/18/62/681521862.db2.gz YULPUNOACDWBMS-HOTGVXAUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028648349 681521868 /nfs/dbraw/zinc/52/18/68/681521868.db2.gz YULPUNOACDWBMS-HOTGVXAUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028648349 681521872 /nfs/dbraw/zinc/52/18/72/681521872.db2.gz YULPUNOACDWBMS-HOTGVXAUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028648351 681522393 /nfs/dbraw/zinc/52/23/93/681522393.db2.gz YULPUNOACDWBMS-JKSUJKDBSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028648351 681522397 /nfs/dbraw/zinc/52/23/97/681522397.db2.gz YULPUNOACDWBMS-JKSUJKDBSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028648351 681522404 /nfs/dbraw/zinc/52/24/04/681522404.db2.gz YULPUNOACDWBMS-JKSUJKDBSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028648351 681522408 /nfs/dbraw/zinc/52/24/08/681522408.db2.gz YULPUNOACDWBMS-JKSUJKDBSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800727 682254545 /nfs/dbraw/zinc/25/45/45/682254545.db2.gz YNGBAYRBGIVJCN-DLBZAZTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800727 682254547 /nfs/dbraw/zinc/25/45/47/682254547.db2.gz YNGBAYRBGIVJCN-DLBZAZTESA-N 2 1 330.476 2.158 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281335 682391238 /nfs/dbraw/zinc/39/12/38/682391238.db2.gz TWMBQZAZIREISY-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000974798496 685561981 /nfs/dbraw/zinc/56/19/81/685561981.db2.gz FLKOKFKSSBQHMF-KRWDZBQOSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001025481613 682888860 /nfs/dbraw/zinc/88/88/60/682888860.db2.gz JLABXHMWPWXPCD-JKSUJKDBSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001026370233 684465761 /nfs/dbraw/zinc/46/57/61/684465761.db2.gz QWWVJAAQARSIKB-YESZJQIVSA-N 2 1 330.476 2.409 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303899065 686938247 /nfs/dbraw/zinc/93/82/47/686938247.db2.gz VXNNPJZLSOOMEQ-BBWFWOEESA-N 3 1 337.556 2.132 20 30 EEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303899065 686938252 /nfs/dbraw/zinc/93/82/52/686938252.db2.gz VXNNPJZLSOOMEQ-BBWFWOEESA-N 3 1 337.556 2.132 20 30 EEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303899065 686938256 /nfs/dbraw/zinc/93/82/56/686938256.db2.gz VXNNPJZLSOOMEQ-BBWFWOEESA-N 3 1 337.556 2.132 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027332601 687515829 /nfs/dbraw/zinc/51/58/29/687515829.db2.gz OZOXLSHKSUSYFL-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001027420163 688040412 /nfs/dbraw/zinc/04/04/12/688040412.db2.gz QMAWKVMOWJHHCQ-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001027420163 688040421 /nfs/dbraw/zinc/04/04/21/688040421.db2.gz QMAWKVMOWJHHCQ-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001027420163 688040428 /nfs/dbraw/zinc/04/04/28/688040428.db2.gz QMAWKVMOWJHHCQ-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001027420163 688040440 /nfs/dbraw/zinc/04/04/40/688040440.db2.gz QMAWKVMOWJHHCQ-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C[NH+]=C(NCc1cc(F)ccc1SC)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262770666 688413814 /nfs/dbraw/zinc/41/38/14/688413814.db2.gz IOVZMHGTRZSTKB-CQSZACIVSA-N 2 1 336.480 2.449 20 30 EEEDMP C[NH+]=C(NCc1cc(F)ccc1SC)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262770666 688413816 /nfs/dbraw/zinc/41/38/16/688413816.db2.gz IOVZMHGTRZSTKB-CQSZACIVSA-N 2 1 336.480 2.449 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC000978226794 693393049 /nfs/dbraw/zinc/39/30/49/693393049.db2.gz RKGUFGQMUVLSMS-PHZGNYQRSA-N 2 1 333.501 2.293 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001203431355 1188100932 /nfs/dbraw/zinc/10/09/32/1188100932.db2.gz CJYAIGZNXYUKJL-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001105549372 1188165272 /nfs/dbraw/zinc/16/52/72/1188165272.db2.gz IXWLSOPJWUOBQT-SFHVURJKSA-N 2 1 342.487 2.356 20 30 EEEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)CC1 ZINC001273038616 1194343738 /nfs/dbraw/zinc/34/37/38/1194343738.db2.gz HAUUMBINRVZBPN-LJQANCHMSA-N 2 1 332.492 2.089 20 30 EEEDMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001005177931 1194667387 /nfs/dbraw/zinc/66/73/87/1194667387.db2.gz GGWHTVIAXQUOCX-FQEVSTJZSA-N 2 1 339.483 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001033685908 1195068817 /nfs/dbraw/zinc/06/88/17/1195068817.db2.gz XEFYASYQYRSYDQ-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001034660192 1196485781 /nfs/dbraw/zinc/48/57/81/1196485781.db2.gz WHTTUABVVPABJD-ZHALLVOQSA-N 2 1 349.519 2.223 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC001034792326 1196734991 /nfs/dbraw/zinc/73/49/91/1196734991.db2.gz GKZJMTQWZMBSRX-FHWLQOOXSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001034962777 1196943498 /nfs/dbraw/zinc/94/34/98/1196943498.db2.gz QGOXXZWEBUPOIL-RLLQIKCJSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001034962777 1196943502 /nfs/dbraw/zinc/94/35/02/1196943502.db2.gz QGOXXZWEBUPOIL-RLLQIKCJSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335104 1199583106 /nfs/dbraw/zinc/58/31/06/1199583106.db2.gz JMFADJRASPTPMZ-DLBZAZTESA-N 2 1 330.476 2.389 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335104 1199583112 /nfs/dbraw/zinc/58/31/12/1199583112.db2.gz JMFADJRASPTPMZ-DLBZAZTESA-N 2 1 330.476 2.389 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1cccc(C#N)c1 ZINC001274891160 1205201644 /nfs/dbraw/zinc/20/16/44/1205201644.db2.gz WGZAWCPGOBUJRA-BGYRXZFFSA-N 2 1 326.488 2.201 20 30 EEEDMP C=CCn1cc(C[NH+]2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)cn1 ZINC001275381031 1205330465 /nfs/dbraw/zinc/33/04/65/1205330465.db2.gz DCXNONWAPCPUMD-UHFFFAOYSA-N 2 1 345.535 2.309 20 30 EEEDMP C=CCn1cc(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)cn1 ZINC001275381031 1205330466 /nfs/dbraw/zinc/33/04/66/1205330466.db2.gz DCXNONWAPCPUMD-UHFFFAOYSA-N 2 1 345.535 2.309 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(CCn2ccnc2)C3=O)cc1 ZINC001275588536 1205433548 /nfs/dbraw/zinc/43/35/48/1205433548.db2.gz CZDXKZAFLUUSDT-FQEVSTJZSA-N 2 1 349.438 2.022 20 30 EEEDMP N#Cc1ccc(CN2CCC[C@@]23CCN(CCn2ccnc2)C3=O)cc1 ZINC001275588536 1205433549 /nfs/dbraw/zinc/43/35/49/1205433549.db2.gz CZDXKZAFLUUSDT-FQEVSTJZSA-N 2 1 349.438 2.022 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@H]3CCCN3C)n[nH]1)C2 ZINC001095442352 1205758558 /nfs/dbraw/zinc/75/85/58/1205758558.db2.gz XENATGWWJKUMLH-NONVJHHQSA-N 2 1 343.475 2.088 20 30 EEEDMP C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000778233656 1207929343 /nfs/dbraw/zinc/92/93/43/1207929343.db2.gz MWLIDNVELBDILX-UHFFFAOYSA-N 2 1 330.476 2.275 20 30 EEEDMP C=C(C)C[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000778233656 1207929344 /nfs/dbraw/zinc/92/93/44/1207929344.db2.gz MWLIDNVELBDILX-UHFFFAOYSA-N 2 1 330.476 2.275 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001111270150 1208523678 /nfs/dbraw/zinc/52/36/78/1208523678.db2.gz ICPIBDGZZLGGRB-ZRNYENFQSA-N 2 1 339.483 2.424 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001111270150 1208523679 /nfs/dbraw/zinc/52/36/79/1208523679.db2.gz ICPIBDGZZLGGRB-ZRNYENFQSA-N 2 1 339.483 2.424 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270150 1208523680 /nfs/dbraw/zinc/52/36/80/1208523680.db2.gz ICPIBDGZZLGGRB-ZRNYENFQSA-N 2 1 339.483 2.424 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270150 1208523682 /nfs/dbraw/zinc/52/36/82/1208523682.db2.gz ICPIBDGZZLGGRB-ZRNYENFQSA-N 2 1 339.483 2.424 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948378267 1209101759 /nfs/dbraw/zinc/10/17/59/1209101759.db2.gz SQFDRHWLBRIIPT-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc(CN(C)C)on2)CC1 ZINC000948565402 1209225710 /nfs/dbraw/zinc/22/57/10/1209225710.db2.gz FERYZCZAXOBTRU-OAHLLOKOSA-N 2 1 334.464 2.239 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948565402 1209225714 /nfs/dbraw/zinc/22/57/14/1209225714.db2.gz FERYZCZAXOBTRU-OAHLLOKOSA-N 2 1 334.464 2.239 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948565402 1209225717 /nfs/dbraw/zinc/22/57/17/1209225717.db2.gz FERYZCZAXOBTRU-OAHLLOKOSA-N 2 1 334.464 2.239 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948821002 1209400992 /nfs/dbraw/zinc/40/09/92/1209400992.db2.gz WPDHARJRAJGMQU-QGZVFWFLSA-N 2 1 330.476 2.343 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948821002 1209400994 /nfs/dbraw/zinc/40/09/94/1209400994.db2.gz WPDHARJRAJGMQU-QGZVFWFLSA-N 2 1 330.476 2.343 20 30 EEEDMP CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC001015499096 1225336533 /nfs/dbraw/zinc/33/65/33/1225336533.db2.gz NJHWUJJEIHAQKP-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC001015499096 1225336538 /nfs/dbraw/zinc/33/65/38/1225336538.db2.gz NJHWUJJEIHAQKP-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP CC(C)(C)c1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000303783556 1213904673 /nfs/dbraw/zinc/90/46/73/1213904673.db2.gz OJECBDGKXKZIFW-UHFFFAOYSA-N 2 1 346.519 2.153 20 30 EEEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N[C@H](C)CCCC(C)C)CC1 ZINC000303885433 1213920539 /nfs/dbraw/zinc/92/05/39/1213920539.db2.gz NDRPSOCKZUKSOZ-ZWKOTPCHSA-N 2 1 339.572 2.379 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC000960884753 1216959900 /nfs/dbraw/zinc/95/99/00/1216959900.db2.gz SONNSPMRGLIPNB-YOEHRIQHSA-N 2 1 348.516 2.383 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CC[N@H+](CC=C)C3)C2)CC1 ZINC000961292513 1217131898 /nfs/dbraw/zinc/13/18/98/1217131898.db2.gz JPPTZJGLMGNSDA-VQTJNVASSA-N 2 1 343.515 2.078 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961374984 1217163564 /nfs/dbraw/zinc/16/35/64/1217163564.db2.gz NBCZKDDOGAOXNP-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961374984 1217163566 /nfs/dbraw/zinc/16/35/66/1217163566.db2.gz NBCZKDDOGAOXNP-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961374984 1217163569 /nfs/dbraw/zinc/16/35/69/1217163569.db2.gz NBCZKDDOGAOXNP-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000961434862 1217188859 /nfs/dbraw/zinc/18/88/59/1217188859.db2.gz IVKCWZHPROJDEX-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434862 1217188860 /nfs/dbraw/zinc/18/88/60/1217188860.db2.gz IVKCWZHPROJDEX-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434862 1217188861 /nfs/dbraw/zinc/18/88/61/1217188861.db2.gz IVKCWZHPROJDEX-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CCC[N@@H+]3CCF)C2)CC1 ZINC000963431619 1217625168 /nfs/dbraw/zinc/62/51/68/1217625168.db2.gz XRYPINWLZHMFQC-OALUTQOASA-N 2 1 349.494 2.004 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC ZINC001037859229 1219616159 /nfs/dbraw/zinc/61/61/59/1219616159.db2.gz IMRICSDFLYYHKR-GDBMZVCRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1CC ZINC001037884332 1219960538 /nfs/dbraw/zinc/96/05/38/1219960538.db2.gz YBNJDHUFNBRLJY-JKSUJKDBSA-N 2 1 330.476 2.165 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416782 1221288383 /nfs/dbraw/zinc/28/83/83/1221288383.db2.gz AYNFAAUEMBQWAT-VQIMIIECSA-N 2 1 327.472 2.212 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533119 1222909499 /nfs/dbraw/zinc/90/94/99/1222909499.db2.gz JZTDZTGBDNGKTG-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533119 1222909503 /nfs/dbraw/zinc/90/95/03/1222909503.db2.gz JZTDZTGBDNGKTG-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008613428 1222960478 /nfs/dbraw/zinc/96/04/78/1222960478.db2.gz XVHQJJIDPIJFDN-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008613428 1222960481 /nfs/dbraw/zinc/96/04/81/1222960481.db2.gz XVHQJJIDPIJFDN-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008613428 1222960484 /nfs/dbraw/zinc/96/04/84/1222960484.db2.gz XVHQJJIDPIJFDN-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016661608 1226743904 /nfs/dbraw/zinc/74/39/04/1226743904.db2.gz GXUWWICHKSVVEE-MOPGFXCFSA-N 2 1 343.515 2.387 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001016828233 1226908888 /nfs/dbraw/zinc/90/88/88/1226908888.db2.gz DWYIWVSSIFEJAK-HUUCEWRRSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018986223 1228607991 /nfs/dbraw/zinc/60/79/91/1228607991.db2.gz WJVHLMYSVJACOK-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018986223 1228607994 /nfs/dbraw/zinc/60/79/94/1228607994.db2.gz WJVHLMYSVJACOK-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001019820517 1229362785 /nfs/dbraw/zinc/36/27/85/1229362785.db2.gz NRSOGGZPAKHNPP-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001020146243 1229510126 /nfs/dbraw/zinc/51/01/26/1229510126.db2.gz YCZDAPLTWNUQGJ-FHWLQOOXSA-N 2 1 340.471 2.168 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001020174463 1229531829 /nfs/dbraw/zinc/53/18/29/1229531829.db2.gz BUBWMOBLPZWAOV-CADBVGFASA-N 2 1 340.471 2.025 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039163390 1230385194 /nfs/dbraw/zinc/38/51/94/1230385194.db2.gz BQXKYRZGNPXVCR-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039163390 1230385199 /nfs/dbraw/zinc/38/51/99/1230385199.db2.gz BQXKYRZGNPXVCR-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039163390 1230385203 /nfs/dbraw/zinc/38/52/03/1230385203.db2.gz BQXKYRZGNPXVCR-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039204829 1230432005 /nfs/dbraw/zinc/43/20/05/1230432005.db2.gz FFQRVCNUASIYMC-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039204829 1230432006 /nfs/dbraw/zinc/43/20/06/1230432006.db2.gz FFQRVCNUASIYMC-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039204829 1230432009 /nfs/dbraw/zinc/43/20/09/1230432009.db2.gz FFQRVCNUASIYMC-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001039297956 1230515174 /nfs/dbraw/zinc/51/51/74/1230515174.db2.gz FBLFFHBLBTXOEE-CSNJMZFVSA-N 2 1 342.487 2.442 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001039376252 1230562514 /nfs/dbraw/zinc/56/25/14/1230562514.db2.gz PROMTDGSDKHXNF-CEXWTWQISA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039387264 1230572114 /nfs/dbraw/zinc/57/21/14/1230572114.db2.gz ZWEVBQUJEGFUQB-QYZOEREBSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039387264 1230572115 /nfs/dbraw/zinc/57/21/15/1230572115.db2.gz ZWEVBQUJEGFUQB-QYZOEREBSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039387264 1230572116 /nfs/dbraw/zinc/57/21/16/1230572116.db2.gz ZWEVBQUJEGFUQB-QYZOEREBSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039398099 1230581033 /nfs/dbraw/zinc/58/10/33/1230581033.db2.gz LGDGGCBWYIWEKK-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039398099 1230581036 /nfs/dbraw/zinc/58/10/36/1230581036.db2.gz LGDGGCBWYIWEKK-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039398099 1230581039 /nfs/dbraw/zinc/58/10/39/1230581039.db2.gz LGDGGCBWYIWEKK-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242703 1231128457 /nfs/dbraw/zinc/12/84/57/1231128457.db2.gz ZWEWTTMFFPTFLZ-PXNSSMCTSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242703 1231128459 /nfs/dbraw/zinc/12/84/59/1231128459.db2.gz ZWEWTTMFFPTFLZ-PXNSSMCTSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040423726 1231223282 /nfs/dbraw/zinc/22/32/82/1231223282.db2.gz UZBGTKHZLDLEAL-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040423726 1231223284 /nfs/dbraw/zinc/22/32/84/1231223284.db2.gz UZBGTKHZLDLEAL-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040639048 1231323708 /nfs/dbraw/zinc/32/37/08/1231323708.db2.gz XGHBXMDHSUMPGU-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041360463 1231519406 /nfs/dbraw/zinc/51/94/06/1231519406.db2.gz YMEFYDPXCZALQJ-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041360463 1231519407 /nfs/dbraw/zinc/51/94/07/1231519407.db2.gz YMEFYDPXCZALQJ-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041360463 1231519409 /nfs/dbraw/zinc/51/94/09/1231519409.db2.gz YMEFYDPXCZALQJ-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001041677378 1231646959 /nfs/dbraw/zinc/64/69/59/1231646959.db2.gz BJOHAHIUYRDQNQ-MOPGFXCFSA-N 2 1 337.483 2.309 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677378 1231646960 /nfs/dbraw/zinc/64/69/60/1231646960.db2.gz BJOHAHIUYRDQNQ-MOPGFXCFSA-N 2 1 337.483 2.309 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677378 1231646963 /nfs/dbraw/zinc/64/69/63/1231646963.db2.gz BJOHAHIUYRDQNQ-MOPGFXCFSA-N 2 1 337.483 2.309 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041680526 1231648067 /nfs/dbraw/zinc/64/80/67/1231648067.db2.gz TXFZHBOLPQTQTE-RHSMWYFYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041680526 1231648069 /nfs/dbraw/zinc/64/80/69/1231648069.db2.gz TXFZHBOLPQTQTE-RHSMWYFYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041680526 1231648070 /nfs/dbraw/zinc/64/80/70/1231648070.db2.gz TXFZHBOLPQTQTE-RHSMWYFYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041680526 1231648071 /nfs/dbraw/zinc/64/80/71/1231648071.db2.gz TXFZHBOLPQTQTE-RHSMWYFYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041726408 1231663642 /nfs/dbraw/zinc/66/36/42/1231663642.db2.gz YAWAXXSEEQVPPF-SFHVURJKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041726408 1231663643 /nfs/dbraw/zinc/66/36/43/1231663643.db2.gz YAWAXXSEEQVPPF-SFHVURJKSA-N 2 1 339.911 2.395 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845861 1231728910 /nfs/dbraw/zinc/72/89/10/1231728910.db2.gz PVIPZFDHGCUJEL-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297651 1232012697 /nfs/dbraw/zinc/01/26/97/1232012697.db2.gz STVLWJSBPODAAI-MJGOQNOKSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046951372 1235346935 /nfs/dbraw/zinc/34/69/35/1235346935.db2.gz BLOAKWMZQLOHIQ-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046951372 1235346939 /nfs/dbraw/zinc/34/69/39/1235346939.db2.gz BLOAKWMZQLOHIQ-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001046955015 1235352836 /nfs/dbraw/zinc/35/28/36/1235352836.db2.gz WPAOWBGTTGPUJB-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046955015 1235352838 /nfs/dbraw/zinc/35/28/38/1235352838.db2.gz WPAOWBGTTGPUJB-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046955015 1235352843 /nfs/dbraw/zinc/35/28/43/1235352843.db2.gz WPAOWBGTTGPUJB-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046992875 1235405117 /nfs/dbraw/zinc/40/51/17/1235405117.db2.gz FNYSPPSQCKAYRT-QGZVFWFLSA-N 2 1 349.425 2.068 20 30 EEEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046992875 1235405121 /nfs/dbraw/zinc/40/51/21/1235405121.db2.gz FNYSPPSQCKAYRT-QGZVFWFLSA-N 2 1 349.425 2.068 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047256370 1235759532 /nfs/dbraw/zinc/75/95/32/1235759532.db2.gz JQKKPRBGXQWBTR-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001048538822 1237912079 /nfs/dbraw/zinc/91/20/79/1237912079.db2.gz CJUNGLSFFGEMOJ-MUJYYYPQSA-N 2 1 346.475 2.285 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001048538822 1237912087 /nfs/dbraw/zinc/91/20/87/1237912087.db2.gz CJUNGLSFFGEMOJ-MUJYYYPQSA-N 2 1 346.475 2.285 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001048581885 1238017531 /nfs/dbraw/zinc/01/75/31/1238017531.db2.gz YKPGYYBKFLWOLA-FNLKRUPLSA-N 2 1 343.515 2.101 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235646 1240341376 /nfs/dbraw/zinc/34/13/76/1240341376.db2.gz QJHBJZNKRLMGFM-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC001049235753 1240342060 /nfs/dbraw/zinc/34/20/60/1240342060.db2.gz UJFCVNJUSMJWLG-HDICACEKSA-N 2 1 327.472 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049524899 1241246313 /nfs/dbraw/zinc/24/63/13/1241246313.db2.gz OKHPRSRSRGUNED-ZACQAIPSSA-N 2 1 328.460 2.402 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049524899 1241246325 /nfs/dbraw/zinc/24/63/25/1241246325.db2.gz OKHPRSRSRGUNED-ZACQAIPSSA-N 2 1 328.460 2.402 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001049810557 1242267634 /nfs/dbraw/zinc/26/76/34/1242267634.db2.gz MDMKCJNEAFGGLK-ROUUACIJSA-N 2 1 337.427 2.132 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001049810557 1242267638 /nfs/dbraw/zinc/26/76/38/1242267638.db2.gz MDMKCJNEAFGGLK-ROUUACIJSA-N 2 1 337.427 2.132 20 30 EEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001001570224 1242495389 /nfs/dbraw/zinc/49/53/89/1242495389.db2.gz OQACFYJJMPEHPE-UHFFFAOYSA-N 2 1 334.464 2.144 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049913589 1242680383 /nfs/dbraw/zinc/68/03/83/1242680383.db2.gz DDMBRQBHIKZUBX-OTWHNJEPSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(C)C)CC1 ZINC001049917897 1242704189 /nfs/dbraw/zinc/70/41/89/1242704189.db2.gz JBGKNIQMTWFCHQ-RTBURBONSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001050165131 1243021963 /nfs/dbraw/zinc/02/19/63/1243021963.db2.gz VQDKWTNPJSUONR-VQTJNVASSA-N 2 1 339.483 2.308 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001050544503 1243817976 /nfs/dbraw/zinc/81/79/76/1243817976.db2.gz KBRGAUNXFPIZSM-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC)CC2 ZINC001050551218 1243831738 /nfs/dbraw/zinc/83/17/38/1243831738.db2.gz SFRYMJVEYGNCTD-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC)CC2 ZINC001050551218 1243831747 /nfs/dbraw/zinc/83/17/47/1243831747.db2.gz SFRYMJVEYGNCTD-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCc2c(CNC(=O)[C@H]3CCCC[N@@H+]3C)cccc2C1 ZINC001051293325 1245491833 /nfs/dbraw/zinc/49/18/33/1245491833.db2.gz QOJJPEIZTMHZGV-HXUWFJFHSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CCC[N@H+]1CCc2c(CNC(=O)[C@H]3CCCC[NH+]3C)cccc2C1 ZINC001051293325 1245491842 /nfs/dbraw/zinc/49/18/42/1245491842.db2.gz QOJJPEIZTMHZGV-HXUWFJFHSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CCC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCCC[NH+]3C)cccc2C1 ZINC001051293325 1245491846 /nfs/dbraw/zinc/49/18/46/1245491846.db2.gz QOJJPEIZTMHZGV-HXUWFJFHSA-N 2 1 339.483 2.169 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473070 1245877653 /nfs/dbraw/zinc/87/76/53/1245877653.db2.gz FCHKAKXDCXMXRN-AEFFLSMTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473070 1245877659 /nfs/dbraw/zinc/87/76/59/1245877659.db2.gz FCHKAKXDCXMXRN-AEFFLSMTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107298 1245925878 /nfs/dbraw/zinc/92/58/78/1245925878.db2.gz DRRBHXCAVGZTNW-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107298 1245925883 /nfs/dbraw/zinc/92/58/83/1245925883.db2.gz DRRBHXCAVGZTNW-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001101574879 1245979295 /nfs/dbraw/zinc/97/92/95/1245979295.db2.gz HZUDLEVCUDDQNW-FUHWJXTLSA-N 2 1 333.520 2.062 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](C/C=C/Cl)C2)C1 ZINC001054147556 1247523979 /nfs/dbraw/zinc/52/39/79/1247523979.db2.gz UKECLBDSAGFRNG-FMKYGRDNSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](C/C=C/Cl)C2)C1 ZINC001054147556 1247523983 /nfs/dbraw/zinc/52/39/83/1247523983.db2.gz UKECLBDSAGFRNG-FMKYGRDNSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](C/C=C/Cl)C2)C1 ZINC001054147556 1247523986 /nfs/dbraw/zinc/52/39/86/1247523986.db2.gz UKECLBDSAGFRNG-FMKYGRDNSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](C/C=C/Cl)C2)C1 ZINC001054147556 1247523991 /nfs/dbraw/zinc/52/39/91/1247523991.db2.gz UKECLBDSAGFRNG-FMKYGRDNSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160017 1247565384 /nfs/dbraw/zinc/56/53/84/1247565384.db2.gz SRBFWRGNMAIEFV-FQEVSTJZSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159756 1247565998 /nfs/dbraw/zinc/56/59/98/1247565998.db2.gz YWKAUANLGASBCV-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159756 1247566002 /nfs/dbraw/zinc/56/60/02/1247566002.db2.gz YWKAUANLGASBCV-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159756 1247566007 /nfs/dbraw/zinc/56/60/07/1247566007.db2.gz YWKAUANLGASBCV-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174568 1247609857 /nfs/dbraw/zinc/60/98/57/1247609857.db2.gz ULGNSOYRHBACJW-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@@H]1C ZINC001071828412 1254691589 /nfs/dbraw/zinc/69/15/89/1254691589.db2.gz OCNCNWZSAYJJSA-HOTGVXAUSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@@H]1C ZINC001071828412 1254691604 /nfs/dbraw/zinc/69/16/04/1254691604.db2.gz OCNCNWZSAYJJSA-HOTGVXAUSA-N 2 1 346.475 2.429 20 30 EEEDMP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001075042517 1257293831 /nfs/dbraw/zinc/29/38/31/1257293831.db2.gz WIILUOSWMDTSEO-ZQIUZPCESA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099002361 1257925511 /nfs/dbraw/zinc/92/55/11/1257925511.db2.gz XNGHMKIWIKZHCX-ZWOKBUDYSA-N 2 1 342.487 2.301 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099002361 1257925514 /nfs/dbraw/zinc/92/55/14/1257925514.db2.gz XNGHMKIWIKZHCX-ZWOKBUDYSA-N 2 1 342.487 2.301 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098403 1257964221 /nfs/dbraw/zinc/96/42/21/1257964221.db2.gz PBACDFASNBFRCD-DLBZAZTESA-N 2 1 339.499 2.296 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCn1cc[nH+]c1C ZINC001099538252 1258194966 /nfs/dbraw/zinc/19/49/66/1258194966.db2.gz VKMXLDNPEAAHLB-MANSERQUSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCn1cc[nH+]c1C ZINC001099538252 1258194971 /nfs/dbraw/zinc/19/49/71/1258194971.db2.gz VKMXLDNPEAAHLB-MANSERQUSA-N 2 1 342.487 2.327 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185789892 1278783116 /nfs/dbraw/zinc/78/31/16/1278783116.db2.gz WFPGBPGBPMHUIZ-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185789892 1278783123 /nfs/dbraw/zinc/78/31/23/1278783123.db2.gz WFPGBPGBPMHUIZ-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850397575 1277213310 /nfs/dbraw/zinc/21/33/10/1277213310.db2.gz YAINFSDTZFNSSB-YJBOKZPZSA-N 2 1 329.444 2.320 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001187240232 1279446615 /nfs/dbraw/zinc/44/66/15/1279446615.db2.gz ITZDYEOIFFEHTR-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001191030748 1281185192 /nfs/dbraw/zinc/18/51/92/1281185192.db2.gz VCBHGZGFEWJXSQ-SFHVURJKSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001191030748 1281185196 /nfs/dbraw/zinc/18/51/96/1281185196.db2.gz VCBHGZGFEWJXSQ-SFHVURJKSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC001191030748 1281185199 /nfs/dbraw/zinc/18/51/99/1281185199.db2.gz VCBHGZGFEWJXSQ-SFHVURJKSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC001191030748 1281185202 /nfs/dbraw/zinc/18/52/02/1281185202.db2.gz VCBHGZGFEWJXSQ-SFHVURJKSA-N 2 1 342.487 2.321 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110750212 1294155949 /nfs/dbraw/zinc/15/59/49/1294155949.db2.gz ATCDBCUDDQNTAP-KURKYZTESA-N 2 1 331.504 2.384 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110750212 1294155954 /nfs/dbraw/zinc/15/59/54/1294155954.db2.gz ATCDBCUDDQNTAP-KURKYZTESA-N 2 1 331.504 2.384 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110750212 1294155957 /nfs/dbraw/zinc/15/59/57/1294155957.db2.gz ATCDBCUDDQNTAP-KURKYZTESA-N 2 1 331.504 2.384 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125965 1296552969 /nfs/dbraw/zinc/55/29/69/1296552969.db2.gz QPKRWRCBRHPVOK-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125965 1296552979 /nfs/dbraw/zinc/55/29/79/1296552979.db2.gz QPKRWRCBRHPVOK-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001216490585 1297190897 /nfs/dbraw/zinc/19/08/97/1297190897.db2.gz FRNBGGTVLAMLOV-UYAOXDASSA-N 2 1 341.499 2.207 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001102378483 1300959010 /nfs/dbraw/zinc/95/90/10/1300959010.db2.gz YPNBDXKDYLZOCK-RLLQIKCJSA-N 2 1 341.499 2.062 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001102525077 1301183125 /nfs/dbraw/zinc/18/31/25/1301183125.db2.gz KHCKYQSDCPDKSV-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001102525077 1301183132 /nfs/dbraw/zinc/18/31/32/1301183132.db2.gz KHCKYQSDCPDKSV-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001102525077 1301183137 /nfs/dbraw/zinc/18/31/37/1301183137.db2.gz KHCKYQSDCPDKSV-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102601010 1301273092 /nfs/dbraw/zinc/27/30/92/1301273092.db2.gz GUJJPDIUNRGHOV-HUUCEWRRSA-N 2 1 348.516 2.144 20 30 EEEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102601010 1301273094 /nfs/dbraw/zinc/27/30/94/1301273094.db2.gz GUJJPDIUNRGHOV-HUUCEWRRSA-N 2 1 348.516 2.144 20 30 EEEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102601010 1301273102 /nfs/dbraw/zinc/27/31/02/1301273102.db2.gz GUJJPDIUNRGHOV-HUUCEWRRSA-N 2 1 348.516 2.144 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103086770 1302193186 /nfs/dbraw/zinc/19/31/86/1302193186.db2.gz QFLSDNLYQNBPCK-BRWVUGGUSA-N 2 1 330.476 2.411 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103086770 1302193194 /nfs/dbraw/zinc/19/31/94/1302193194.db2.gz QFLSDNLYQNBPCK-BRWVUGGUSA-N 2 1 330.476 2.411 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1cccnc1 ZINC001230835421 1303489732 /nfs/dbraw/zinc/48/97/32/1303489732.db2.gz FGGIIARCYQETSC-UHFFFAOYSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCOCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001235336947 1305195199 /nfs/dbraw/zinc/19/51/99/1305195199.db2.gz RAZFTOWQRUTQOM-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001235336947 1305195204 /nfs/dbraw/zinc/19/52/04/1305195204.db2.gz RAZFTOWQRUTQOM-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001235336947 1305195205 /nfs/dbraw/zinc/19/52/05/1305195205.db2.gz RAZFTOWQRUTQOM-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001235336947 1305195210 /nfs/dbraw/zinc/19/52/10/1305195210.db2.gz RAZFTOWQRUTQOM-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001235336947 1305195213 /nfs/dbraw/zinc/19/52/13/1305195213.db2.gz RAZFTOWQRUTQOM-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CCCCC1 ZINC001115571705 1305391662 /nfs/dbraw/zinc/39/16/62/1305391662.db2.gz LQUOELXLXWSOGA-GOSISDBHSA-N 2 1 333.520 2.396 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591873 1305464139 /nfs/dbraw/zinc/46/41/39/1305464139.db2.gz JKCUVXYRMSGYCQ-ROUUACIJSA-N 2 1 331.504 2.435 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCCC1 ZINC001115592169 1305465084 /nfs/dbraw/zinc/46/50/84/1305465084.db2.gz WYRAZAARLRTYGR-ZWKOTPCHSA-N 2 1 331.504 2.435 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120448724 1309546688 /nfs/dbraw/zinc/54/66/88/1309546688.db2.gz FDCSSAYJHLCZIM-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448724 1309546697 /nfs/dbraw/zinc/54/66/97/1309546697.db2.gz FDCSSAYJHLCZIM-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448724 1309546703 /nfs/dbraw/zinc/54/67/03/1309546703.db2.gz FDCSSAYJHLCZIM-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP CCCCCCCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001245981795 1310200917 /nfs/dbraw/zinc/20/09/17/1310200917.db2.gz MLNPWWDCRNYVKG-YESZJQIVSA-N 2 1 328.497 2.229 20 30 EEEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122243064 1310247609 /nfs/dbraw/zinc/24/76/09/1310247609.db2.gz ZBSJKXSNLCWPRF-WZXTXQKWSA-N 2 1 349.519 2.080 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001149733776 1316029053 /nfs/dbraw/zinc/02/90/53/1316029053.db2.gz NBFDOBYKJVSOFM-IRXDYDNUSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001149733776 1316029063 /nfs/dbraw/zinc/02/90/63/1316029063.db2.gz NBFDOBYKJVSOFM-IRXDYDNUSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001153802927 1316887221 /nfs/dbraw/zinc/88/72/21/1316887221.db2.gz NHLGQFYFQLQAOF-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001153802927 1316887224 /nfs/dbraw/zinc/88/72/24/1316887224.db2.gz NHLGQFYFQLQAOF-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001153802927 1316887227 /nfs/dbraw/zinc/88/72/27/1316887227.db2.gz NHLGQFYFQLQAOF-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112919 1318416527 /nfs/dbraw/zinc/41/65/27/1318416527.db2.gz CFGPFZRYBYRZJE-MRXNPFEDSA-N 2 1 330.476 2.225 20 30 EEEDMP CCN(Cc1ccccc1C#N)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157112919 1318416514 /nfs/dbraw/zinc/41/65/14/1318416514.db2.gz CFGPFZRYBYRZJE-MRXNPFEDSA-N 2 1 330.476 2.225 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112919 1318416518 /nfs/dbraw/zinc/41/65/18/1318416518.db2.gz CFGPFZRYBYRZJE-MRXNPFEDSA-N 2 1 330.476 2.225 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157112919 1318416539 /nfs/dbraw/zinc/41/65/39/1318416539.db2.gz CFGPFZRYBYRZJE-MRXNPFEDSA-N 2 1 330.476 2.225 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001157886258 1318917132 /nfs/dbraw/zinc/91/71/32/1318917132.db2.gz DEKBRGWXQXVKJV-SFHVURJKSA-N 2 1 346.450 2.166 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)s1 ZINC001158040748 1318981585 /nfs/dbraw/zinc/98/15/85/1318981585.db2.gz YYFIPYOBTLBHAI-LSDHHAIUSA-N 2 1 346.500 2.090 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001159327213 1319741505 /nfs/dbraw/zinc/74/15/05/1319741505.db2.gz APEJSMQIKAOOBG-SFHVURJKSA-N 2 1 346.450 2.168 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001160209139 1320100418 /nfs/dbraw/zinc/10/04/18/1320100418.db2.gz ABNVKNNXRGIGCV-YJBOKZPZSA-N 2 1 331.435 2.080 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001160209139 1320100421 /nfs/dbraw/zinc/10/04/21/1320100421.db2.gz ABNVKNNXRGIGCV-YJBOKZPZSA-N 2 1 331.435 2.080 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160466833 1320169366 /nfs/dbraw/zinc/16/93/66/1320169366.db2.gz KPBIKKBFNHPESX-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001160466833 1320169369 /nfs/dbraw/zinc/16/93/69/1320169369.db2.gz KPBIKKBFNHPESX-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001160466833 1320169374 /nfs/dbraw/zinc/16/93/74/1320169374.db2.gz KPBIKKBFNHPESX-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001161030333 1320360459 /nfs/dbraw/zinc/36/04/59/1320360459.db2.gz YUPFYGLIGJNUBE-SFHVURJKSA-N 2 1 342.487 2.468 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001161030333 1320360460 /nfs/dbraw/zinc/36/04/60/1320360460.db2.gz YUPFYGLIGJNUBE-SFHVURJKSA-N 2 1 342.487 2.468 20 30 EEEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C12CCC2 ZINC001203492717 1321895330 /nfs/dbraw/zinc/89/53/30/1321895330.db2.gz NONPFONRYCCPDG-ZWKOTPCHSA-N 2 1 349.519 2.082 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](CC4(C)COC4)C[C@H]3CC2)cc1C#N ZINC001276416028 1321941805 /nfs/dbraw/zinc/94/18/05/1321941805.db2.gz ZRDRZBUNMOVGIM-HDICACEKSA-N 2 1 342.487 2.077 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(CC)CC)CC1 ZINC001205479407 1323154592 /nfs/dbraw/zinc/15/45/92/1323154592.db2.gz KUQAAUUAPYDLQE-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(CC)CC)CC1 ZINC001205479407 1323154595 /nfs/dbraw/zinc/15/45/95/1323154595.db2.gz KUQAAUUAPYDLQE-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205518875 1323174188 /nfs/dbraw/zinc/17/41/88/1323174188.db2.gz NUXYLJKELHWTOG-RBUKOAKNSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209952967 1325108790 /nfs/dbraw/zinc/10/87/90/1325108790.db2.gz RRVISFMJQIDYGW-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001491891404 1330291960 /nfs/dbraw/zinc/29/19/60/1330291960.db2.gz KBPNXFFBLDTJPM-OALUTQOASA-N 2 1 342.487 2.417 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200636389 1338484306 /nfs/dbraw/zinc/48/43/06/1338484306.db2.gz ZFEVPKPHDARHKR-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[C@@H]1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC001574545122 1343682829 /nfs/dbraw/zinc/68/28/29/1343682829.db2.gz NLNOEUAMIBYSMB-GOSISDBHSA-N 2 1 339.483 2.242 20 30 EEEDMP C#CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC001115729689 1371698663 /nfs/dbraw/zinc/69/86/63/1371698663.db2.gz PKLKWETVKMZDOP-IBGZPJMESA-N 2 1 337.483 2.241 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001367862039 1374290951 /nfs/dbraw/zinc/29/09/51/1374290951.db2.gz MGGLNAMNWHQCCZ-GDBMZVCRSA-N 2 1 327.900 2.488 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001378167068 1379747345 /nfs/dbraw/zinc/74/73/45/1379747345.db2.gz QEFCGAAZPZXCIR-RBUKOAKNSA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001378167068 1379747351 /nfs/dbraw/zinc/74/73/51/1379747351.db2.gz QEFCGAAZPZXCIR-RBUKOAKNSA-N 2 1 342.487 2.177 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001401302348 1397135282 /nfs/dbraw/zinc/13/52/82/1397135282.db2.gz VUGMCJHNVRUBKB-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC001754312044 1406887913 /nfs/dbraw/zinc/88/79/13/1406887913.db2.gz VWMWSQTWIKIKIY-AZUAARDMSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001754312044 1406887920 /nfs/dbraw/zinc/88/79/20/1406887920.db2.gz VWMWSQTWIKIKIY-AZUAARDMSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001754312044 1406887925 /nfs/dbraw/zinc/88/79/25/1406887925.db2.gz VWMWSQTWIKIKIY-AZUAARDMSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001754312044 1406887931 /nfs/dbraw/zinc/88/79/31/1406887931.db2.gz VWMWSQTWIKIKIY-AZUAARDMSA-N 2 1 341.499 2.347 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1csc(C)c1 ZINC001754313185 1406889031 /nfs/dbraw/zinc/88/90/31/1406889031.db2.gz PZERLKDEBKVSPO-PBHICJAKSA-N 2 1 333.501 2.091 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1csc(C)c1 ZINC001754313185 1406889034 /nfs/dbraw/zinc/88/90/34/1406889034.db2.gz PZERLKDEBKVSPO-PBHICJAKSA-N 2 1 333.501 2.091 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1csc(C)c1 ZINC001754313185 1406889039 /nfs/dbraw/zinc/88/90/39/1406889039.db2.gz PZERLKDEBKVSPO-PBHICJAKSA-N 2 1 333.501 2.091 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1csc(C)c1 ZINC001754313185 1406889043 /nfs/dbraw/zinc/88/90/43/1406889043.db2.gz PZERLKDEBKVSPO-PBHICJAKSA-N 2 1 333.501 2.091 20 30 EEEDMP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001754865598 1406969824 /nfs/dbraw/zinc/96/98/24/1406969824.db2.gz OBFCIPRRIDWRGI-GUDVDZBRSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001754865598 1406969827 /nfs/dbraw/zinc/96/98/27/1406969827.db2.gz OBFCIPRRIDWRGI-GUDVDZBRSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001754865598 1406969832 /nfs/dbraw/zinc/96/98/32/1406969832.db2.gz OBFCIPRRIDWRGI-GUDVDZBRSA-N 2 1 349.519 2.129 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001422757259 1400182756 /nfs/dbraw/zinc/18/27/56/1400182756.db2.gz VQSYWIQJFOLXIO-CXAGYDPISA-N 2 1 348.516 2.142 20 30 EEEDMP C#CC[C@@]1(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574515923 1403521382 /nfs/dbraw/zinc/52/13/82/1403521382.db2.gz BEPVZAPHFITKDK-RXVVDRJESA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[C@@]1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC001574515852 1403521689 /nfs/dbraw/zinc/52/16/89/1403521689.db2.gz AITGKINUKNPJFO-PXNSSMCTSA-N 2 1 327.472 2.159 20 30 EEEDMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001755445748 1407460176 /nfs/dbraw/zinc/46/01/76/1407460176.db2.gz QEOCZLKHFSBSBR-IRXDYDNUSA-N 2 1 339.524 2.136 20 30 EEEDMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001755588401 1407659642 /nfs/dbraw/zinc/65/96/42/1407659642.db2.gz YQFXATLXESWSGL-WMLDXEAASA-N 2 1 333.480 2.193 20 30 EEEDMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001755588401 1407659649 /nfs/dbraw/zinc/65/96/49/1407659649.db2.gz YQFXATLXESWSGL-WMLDXEAASA-N 2 1 333.480 2.193 20 30 EEEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121193543 1410214942 /nfs/dbraw/zinc/21/49/42/1410214942.db2.gz FDGSPPQQICRHMN-WZXTXQKWSA-N 2 1 349.519 2.080 20 30 EEEDMP C[C@]1(CNC(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000691560099 1410396938 /nfs/dbraw/zinc/39/69/38/1410396938.db2.gz JBWNIZWPZKKFTA-PKOBYXMFSA-N 2 1 328.460 2.036 20 30 EEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001167235884 757544194 /nfs/dbraw/zinc/54/41/94/757544194.db2.gz BRMBETKHNUWUFS-INIZCTEOSA-N 2 1 330.476 2.206 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001210789399 758131181 /nfs/dbraw/zinc/13/11/81/758131181.db2.gz OXWUOLYPFRAWNY-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461828 760942111 /nfs/dbraw/zinc/94/21/11/760942111.db2.gz SCSHJHNETNQGDS-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461828 760942117 /nfs/dbraw/zinc/94/21/17/760942117.db2.gz SCSHJHNETNQGDS-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461828 760942121 /nfs/dbraw/zinc/94/21/21/760942121.db2.gz SCSHJHNETNQGDS-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]2C1 ZINC001088077559 782870780 /nfs/dbraw/zinc/87/07/80/782870780.db2.gz FLIYZOTXUQUAII-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077559 782870784 /nfs/dbraw/zinc/87/07/84/782870784.db2.gz FLIYZOTXUQUAII-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077559 782870788 /nfs/dbraw/zinc/87/07/88/782870788.db2.gz FLIYZOTXUQUAII-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001089649288 773776205 /nfs/dbraw/zinc/77/62/05/773776205.db2.gz GOYFDWRSBKQRCC-SJORKVTESA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649288 773776210 /nfs/dbraw/zinc/77/62/10/773776210.db2.gz GOYFDWRSBKQRCC-SJORKVTESA-N 2 1 342.487 2.391 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656556 774020538 /nfs/dbraw/zinc/02/05/38/774020538.db2.gz JSGNXEQMWSTIMY-KRWDZBQOSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001031740414 774179693 /nfs/dbraw/zinc/17/96/93/774179693.db2.gz BPOSCMBSVMJICK-XLIONFOSSA-N 2 1 339.483 2.202 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001031740414 774179697 /nfs/dbraw/zinc/17/96/97/774179697.db2.gz BPOSCMBSVMJICK-XLIONFOSSA-N 2 1 339.483 2.202 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CC2)CC1 ZINC001089735672 774815641 /nfs/dbraw/zinc/81/56/41/774815641.db2.gz NZTZIFHIMJLLRD-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001089805932 775955533 /nfs/dbraw/zinc/95/55/33/775955533.db2.gz MFJINDDJYJEBFR-OKYOBFRVSA-N 2 1 343.515 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC(C)C)CC1 ZINC000997624500 790469334 /nfs/dbraw/zinc/46/93/34/790469334.db2.gz QLXBVZADXHXTFK-HKUYNNGSSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC(C)C)CC1 ZINC000997624500 790469341 /nfs/dbraw/zinc/46/93/41/790469341.db2.gz QLXBVZADXHXTFK-HKUYNNGSSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997653754 790551941 /nfs/dbraw/zinc/55/19/41/790551941.db2.gz RAXPHCTZAMYJSP-HKUYNNGSSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997734591 790916138 /nfs/dbraw/zinc/91/61/38/790916138.db2.gz JBHHYGXRIWLLFP-AWEZNQCLSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942824343 783258017 /nfs/dbraw/zinc/25/80/17/783258017.db2.gz XMTPOYJGMCRWIQ-DZGCQCFKSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942824343 783258027 /nfs/dbraw/zinc/25/80/27/783258027.db2.gz XMTPOYJGMCRWIQ-DZGCQCFKSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942824343 783258035 /nfs/dbraw/zinc/25/80/35/783258035.db2.gz XMTPOYJGMCRWIQ-DZGCQCFKSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942824343 783258042 /nfs/dbraw/zinc/25/80/42/783258042.db2.gz XMTPOYJGMCRWIQ-DZGCQCFKSA-N 2 1 327.900 2.297 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)CC2 ZINC001035197455 784032279 /nfs/dbraw/zinc/03/22/79/784032279.db2.gz ODMJWRLOBMONQR-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC001035197455 784032282 /nfs/dbraw/zinc/03/22/82/784032282.db2.gz ODMJWRLOBMONQR-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001035197455 784032288 /nfs/dbraw/zinc/03/22/88/784032288.db2.gz ODMJWRLOBMONQR-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@]13CC[NH+](C1)CCC3)CC2 ZINC001035251534 784247054 /nfs/dbraw/zinc/24/70/54/784247054.db2.gz GXOWLHMZLZERRD-FQEVSTJZSA-N 2 1 331.504 2.363 20 30 EEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@]13CC[N@H+](C1)CCC3)CC2 ZINC001035251534 784247064 /nfs/dbraw/zinc/24/70/64/784247064.db2.gz GXOWLHMZLZERRD-FQEVSTJZSA-N 2 1 331.504 2.363 20 30 EEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)CC2 ZINC001035251534 784247073 /nfs/dbraw/zinc/24/70/73/784247073.db2.gz GXOWLHMZLZERRD-FQEVSTJZSA-N 2 1 331.504 2.363 20 30 EEEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135689725 784250151 /nfs/dbraw/zinc/25/01/51/784250151.db2.gz AUSZVPMFFFLUBW-ROUUACIJSA-N 2 1 339.524 2.328 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135976047 784924522 /nfs/dbraw/zinc/92/45/22/784924522.db2.gz GHRZJQAOGVXYNT-CHWSQXEVSA-N 2 1 334.302 2.110 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](C[C@@H](C)CC)C2)CC1 ZINC001035724501 785022834 /nfs/dbraw/zinc/02/28/34/785022834.db2.gz JKSRUVXXRCAJMM-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](C[C@@H](C)CC)C2)CC1 ZINC001035724501 785022841 /nfs/dbraw/zinc/02/28/41/785022841.db2.gz JKSRUVXXRCAJMM-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC001036195454 785968282 /nfs/dbraw/zinc/96/82/82/785968282.db2.gz RPMBQBPZRLSHSS-DOTOQJQBSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC[C@@H]2C1 ZINC000946875462 789134503 /nfs/dbraw/zinc/13/45/03/789134503.db2.gz RDNLMQOWVOJZKS-NSHGMRRFSA-N 2 1 331.504 2.219 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC[C@@H]2C1 ZINC000946875462 789134505 /nfs/dbraw/zinc/13/45/05/789134505.db2.gz RDNLMQOWVOJZKS-NSHGMRRFSA-N 2 1 331.504 2.219 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC[C@@H]2C1 ZINC000946875462 789134510 /nfs/dbraw/zinc/13/45/10/789134510.db2.gz RDNLMQOWVOJZKS-NSHGMRRFSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001005985954 789150255 /nfs/dbraw/zinc/15/02/55/789150255.db2.gz IISSKDPZJNRDFM-IBGZPJMESA-N 2 1 337.483 2.145 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908411 789775526 /nfs/dbraw/zinc/77/55/26/789775526.db2.gz BDXPKYATVVEMNV-YRPNKDGESA-N 2 1 343.515 2.055 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872466 791250972 /nfs/dbraw/zinc/25/09/72/791250972.db2.gz VIKAZFOAHQUTPS-LMCOJAPRSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872466 791250983 /nfs/dbraw/zinc/25/09/83/791250983.db2.gz VIKAZFOAHQUTPS-LMCOJAPRSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872466 791250993 /nfs/dbraw/zinc/25/09/93/791250993.db2.gz VIKAZFOAHQUTPS-LMCOJAPRSA-N 2 1 341.499 2.487 20 30 EEEDMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001147359115 791799765 /nfs/dbraw/zinc/79/97/65/791799765.db2.gz LLTWPGZRMPOIQN-KRWDZBQOSA-N 2 1 348.516 2.480 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998009810 791826731 /nfs/dbraw/zinc/82/67/31/791826731.db2.gz YXHPGNGMESMKCR-GBESFXJTSA-N 2 1 333.520 2.443 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147657889 791903156 /nfs/dbraw/zinc/90/31/56/791903156.db2.gz GPFUOLCGWWVCEN-MRXNPFEDSA-N 2 1 325.472 2.167 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147975116 792071508 /nfs/dbraw/zinc/07/15/08/792071508.db2.gz GCDIRHHRRRYTBS-IBGZPJMESA-N 2 1 342.487 2.100 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992169864 793025590 /nfs/dbraw/zinc/02/55/90/793025590.db2.gz SLCIUPJJSBFLJH-CTNGQTDRSA-N 2 1 339.483 2.151 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001109928188 806226109 /nfs/dbraw/zinc/22/61/09/806226109.db2.gz LHHCZVMTCVAQQY-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805942 793278679 /nfs/dbraw/zinc/27/86/79/793278679.db2.gz XWOHFBXUXSUOGF-BEFAXECRSA-N 2 1 346.475 2.096 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805942 793278687 /nfs/dbraw/zinc/27/86/87/793278687.db2.gz XWOHFBXUXSUOGF-BEFAXECRSA-N 2 1 346.475 2.096 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092130200 793598010 /nfs/dbraw/zinc/59/80/10/793598010.db2.gz SJFUKIHIRLAMJE-AEFFLSMTSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092130200 793598018 /nfs/dbraw/zinc/59/80/18/793598018.db2.gz SJFUKIHIRLAMJE-AEFFLSMTSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092157596 793611702 /nfs/dbraw/zinc/61/17/02/793611702.db2.gz GDICDWQADBTJGF-QUCCMNQESA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992409726 793995747 /nfs/dbraw/zinc/99/57/47/793995747.db2.gz UDKAKDBSIXEMON-TZIWHRDSSA-N 2 1 343.515 2.245 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079189394 794468909 /nfs/dbraw/zinc/46/89/09/794468909.db2.gz NDQUWRQGGWZVIR-OTWHNJEPSA-N 2 1 345.462 2.380 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056547 794564948 /nfs/dbraw/zinc/56/49/48/794564948.db2.gz FAZBQCTXAJXNEA-VQIMIIECSA-N 2 1 327.472 2.069 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnc4c3CCCC4)CC[C@H]21 ZINC001036774561 794922629 /nfs/dbraw/zinc/92/26/29/794922629.db2.gz HMPIXGFUBOJGBN-SJLPKXTDSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@H]21 ZINC001036774561 794922632 /nfs/dbraw/zinc/92/26/32/794922632.db2.gz HMPIXGFUBOJGBN-SJLPKXTDSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@H]21 ZINC001036774561 794922637 /nfs/dbraw/zinc/92/26/37/794922637.db2.gz HMPIXGFUBOJGBN-SJLPKXTDSA-N 2 1 342.487 2.261 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001093371937 795103336 /nfs/dbraw/zinc/10/33/36/795103336.db2.gz XAJSFNKOYCLHNE-FQEVSTJZSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001093371937 795103340 /nfs/dbraw/zinc/10/33/40/795103340.db2.gz XAJSFNKOYCLHNE-FQEVSTJZSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001093371937 795103343 /nfs/dbraw/zinc/10/33/43/795103343.db2.gz XAJSFNKOYCLHNE-FQEVSTJZSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001093378454 795114648 /nfs/dbraw/zinc/11/46/48/795114648.db2.gz OHWOZWXSAYJZET-FXAWDEMLSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001093378454 795114652 /nfs/dbraw/zinc/11/46/52/795114652.db2.gz OHWOZWXSAYJZET-FXAWDEMLSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001093378454 795114656 /nfs/dbraw/zinc/11/46/56/795114656.db2.gz OHWOZWXSAYJZET-FXAWDEMLSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093383807 795126807 /nfs/dbraw/zinc/12/68/07/795126807.db2.gz PDVJMABQSBIPPY-OALUTQOASA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001093383807 795126814 /nfs/dbraw/zinc/12/68/14/795126814.db2.gz PDVJMABQSBIPPY-OALUTQOASA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093383807 795126819 /nfs/dbraw/zinc/12/68/19/795126819.db2.gz PDVJMABQSBIPPY-OALUTQOASA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106250059 795290566 /nfs/dbraw/zinc/29/05/66/795290566.db2.gz XKYISKJJYPJYFX-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106434710 795588404 /nfs/dbraw/zinc/58/84/04/795588404.db2.gz DWZQYYJOIRCFKJ-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433910 796227301 /nfs/dbraw/zinc/22/73/01/796227301.db2.gz ILHSNEPYKIAZNQ-SQGPQFPESA-N 2 1 340.471 2.145 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433910 796227306 /nfs/dbraw/zinc/22/73/06/796227306.db2.gz ILHSNEPYKIAZNQ-SQGPQFPESA-N 2 1 340.471 2.145 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(C)(C)C2)CC1 ZINC001032800398 796415783 /nfs/dbraw/zinc/41/57/83/796415783.db2.gz HBVIMPBWDHKPEY-OALUTQOASA-N 2 1 343.515 2.053 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081097830 796631341 /nfs/dbraw/zinc/63/13/41/796631341.db2.gz HYDIFBJCAJOPIP-KSZLIROESA-N 2 1 347.890 2.417 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC2(CCOCC2)C1 ZINC001089969653 796692620 /nfs/dbraw/zinc/69/26/20/796692620.db2.gz MBMMGFLKHGJULA-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC2(CCOCC2)C1 ZINC001089969653 796692623 /nfs/dbraw/zinc/69/26/23/796692623.db2.gz MBMMGFLKHGJULA-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC2(CCOCC2)C1 ZINC001089969653 796692627 /nfs/dbraw/zinc/69/26/27/796692627.db2.gz MBMMGFLKHGJULA-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172971029 797176058 /nfs/dbraw/zinc/17/60/58/797176058.db2.gz LHZVNVNSQRCUHJ-KSWRQPAISA-N 2 1 348.491 2.493 20 30 EEEDMP COCC[N@H+]1CCO[C@@H]2C[NH+](C3CCC(CC#N)CC3)CC[C@@H]2C1 ZINC001173332517 797362818 /nfs/dbraw/zinc/36/28/18/797362818.db2.gz AWNNPBJIVRNUPH-JWHDQAAXSA-N 2 1 335.492 2.128 20 30 EEEDMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)CC[C@@H]2C1 ZINC001173332517 797362825 /nfs/dbraw/zinc/36/28/25/797362825.db2.gz AWNNPBJIVRNUPH-JWHDQAAXSA-N 2 1 335.492 2.128 20 30 EEEDMP COCC[NH+]1CCO[C@@H]2C[N@H+](C3CCC(CC#N)CC3)CC[C@@H]2C1 ZINC001173332517 797362833 /nfs/dbraw/zinc/36/28/33/797362833.db2.gz AWNNPBJIVRNUPH-JWHDQAAXSA-N 2 1 335.492 2.128 20 30 EEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174889704 797903311 /nfs/dbraw/zinc/90/33/11/797903311.db2.gz LIPKHZKSGKIEHA-JKSUJKDBSA-N 2 1 345.915 2.113 20 30 EEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174889704 797903315 /nfs/dbraw/zinc/90/33/15/797903315.db2.gz LIPKHZKSGKIEHA-JKSUJKDBSA-N 2 1 345.915 2.113 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCC3)[C@H]2C)CC1 ZINC000994498547 798095675 /nfs/dbraw/zinc/09/56/75/798095675.db2.gz NBMKCTBVRLTGCC-FXAWDEMLSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084767783 798438735 /nfs/dbraw/zinc/43/87/35/798438735.db2.gz JCBGIQJVHWQEER-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084767783 798438739 /nfs/dbraw/zinc/43/87/39/798438739.db2.gz JCBGIQJVHWQEER-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084767783 798438742 /nfs/dbraw/zinc/43/87/42/798438742.db2.gz JCBGIQJVHWQEER-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)[C@H](OC)C1 ZINC001212465656 798643821 /nfs/dbraw/zinc/64/38/21/798643821.db2.gz QKRNUORBZUGKBG-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001212465656 798643823 /nfs/dbraw/zinc/64/38/23/798643823.db2.gz QKRNUORBZUGKBG-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001212465656 798643825 /nfs/dbraw/zinc/64/38/25/798643825.db2.gz QKRNUORBZUGKBG-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001212465656 798643829 /nfs/dbraw/zinc/64/38/29/798643829.db2.gz QKRNUORBZUGKBG-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001179395007 799889081 /nfs/dbraw/zinc/88/90/81/799889081.db2.gz CGKGHSLKTOBSPJ-KRWDZBQOSA-N 2 1 330.476 2.043 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]1C ZINC001179976527 800194064 /nfs/dbraw/zinc/19/40/64/800194064.db2.gz RVNVKWAVMYMZCD-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085333158 800374111 /nfs/dbraw/zinc/37/41/11/800374111.db2.gz CMGLVUYIETWDQP-KBAYOESNSA-N 2 1 330.476 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598100 800865662 /nfs/dbraw/zinc/86/56/62/800865662.db2.gz MXGWXJNXVGJUQW-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598100 800865668 /nfs/dbraw/zinc/86/56/68/800865668.db2.gz MXGWXJNXVGJUQW-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598100 800865676 /nfs/dbraw/zinc/86/56/76/800865676.db2.gz MXGWXJNXVGJUQW-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CCCC2)CC1 ZINC001085986412 801838540 /nfs/dbraw/zinc/83/85/40/801838540.db2.gz DCFUIYLSNORGHQ-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001004444839 802057239 /nfs/dbraw/zinc/05/72/39/802057239.db2.gz BMDHMOASKALZCA-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004444839 802057243 /nfs/dbraw/zinc/05/72/43/802057243.db2.gz BMDHMOASKALZCA-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004444839 802057246 /nfs/dbraw/zinc/05/72/46/802057246.db2.gz BMDHMOASKALZCA-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001004478686 802181342 /nfs/dbraw/zinc/18/13/42/802181342.db2.gz XIFBYQIDIDBVHE-LJQANCHMSA-N 2 1 336.439 2.284 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001185169453 802373387 /nfs/dbraw/zinc/37/33/87/802373387.db2.gz LRIAHIGGYZWGQY-ICSRJNTNSA-N 2 1 343.515 2.421 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCn2ncc(CNC(=O)C[NH+](CC)CC)c2C1 ZINC001128524418 802762126 /nfs/dbraw/zinc/76/21/26/802762126.db2.gz HEBJCOTWSOHKIL-MRXNPFEDSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCn2ncc(CNC(=O)C[NH+](CC)CC)c2C1 ZINC001128524418 802762129 /nfs/dbraw/zinc/76/21/29/802762129.db2.gz HEBJCOTWSOHKIL-MRXNPFEDSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCCCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001108356460 803361958 /nfs/dbraw/zinc/36/19/58/803361958.db2.gz FGIVNBPHXMRACK-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108356460 803361967 /nfs/dbraw/zinc/36/19/67/803361967.db2.gz FGIVNBPHXMRACK-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108356460 803361975 /nfs/dbraw/zinc/36/19/75/803361975.db2.gz FGIVNBPHXMRACK-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001445868773 1091791819 /nfs/dbraw/zinc/79/18/19/1091791819.db2.gz HSLNNEJSCVGYBA-QGZVFWFLSA-N 2 1 342.487 2.371 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001441971343 1096176568 /nfs/dbraw/zinc/17/65/68/1096176568.db2.gz JFCDRQACOXKIHU-OAHLLOKOSA-N 2 1 339.443 2.173 20 30 EEEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)CCC)C2 ZINC001446953285 1101651100 /nfs/dbraw/zinc/65/11/00/1101651100.db2.gz KKTBDJYMJNURSG-MUJYYYPQSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)CCC)C2 ZINC001446953285 1101651104 /nfs/dbraw/zinc/65/11/04/1101651104.db2.gz KKTBDJYMJNURSG-MUJYYYPQSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)CCC)C2 ZINC001446953285 1101651133 /nfs/dbraw/zinc/65/11/33/1101651133.db2.gz KKTBDJYMJNURSG-MUJYYYPQSA-N 2 1 327.900 2.440 20 30 EEEDMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001447315831 1102434794 /nfs/dbraw/zinc/43/47/94/1102434794.db2.gz BPYLHNSTTGDNBC-YOEHRIQHSA-N 2 1 348.516 2.431 20 30 EEEDMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001448108921 1104025629 /nfs/dbraw/zinc/02/56/29/1104025629.db2.gz ZTCBUHUFTSERJY-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501081018 1113192226 /nfs/dbraw/zinc/19/22/26/1113192226.db2.gz XEUSWRGJABMALU-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](C)CCNc1cc(NCC[N@H+](C)CC)c(C#N)cc1[N+](=O)[O-] ZINC000288317328 266101972 /nfs/dbraw/zinc/10/19/72/266101972.db2.gz HSRQZNPCZTVCRN-UHFFFAOYSA-N 2 1 348.451 2.194 20 30 EEEDMP CC[NH+](C)CCNc1cc(NCC[N@H+](C)CC)c([N+](=O)[O-])cc1C#N ZINC000288317328 266101975 /nfs/dbraw/zinc/10/19/75/266101975.db2.gz HSRQZNPCZTVCRN-UHFFFAOYSA-N 2 1 348.451 2.194 20 30 EEEDMP CC[NH+](C)CCNc1cc(NCC[N@@H+](C)CC)c([N+](=O)[O-])cc1C#N ZINC000288317328 266101979 /nfs/dbraw/zinc/10/19/79/266101979.db2.gz HSRQZNPCZTVCRN-UHFFFAOYSA-N 2 1 348.451 2.194 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087698343 782088097 /nfs/dbraw/zinc/08/80/97/782088097.db2.gz SLJNIGSSXONHQJ-IPMKNSEASA-N 2 1 331.504 2.386 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087698343 782088104 /nfs/dbraw/zinc/08/81/04/782088104.db2.gz SLJNIGSSXONHQJ-IPMKNSEASA-N 2 1 331.504 2.386 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087698343 782088117 /nfs/dbraw/zinc/08/81/17/782088117.db2.gz SLJNIGSSXONHQJ-IPMKNSEASA-N 2 1 331.504 2.386 20 30 EEEDMP C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000337177223 465230350 /nfs/dbraw/zinc/23/03/50/465230350.db2.gz JHMOVFIWZGARKD-RTBURBONSA-N 2 1 348.535 2.045 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491298100 468345058 /nfs/dbraw/zinc/34/50/58/468345058.db2.gz TZNCALHAKIKJLC-IBGZPJMESA-N 2 1 348.535 2.239 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000108555451 463615581 /nfs/dbraw/zinc/61/55/81/463615581.db2.gz YYCBZGJMHCQJJL-ZWKOTPCHSA-N 2 1 336.524 2.326 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000264135491 464287184 /nfs/dbraw/zinc/28/71/84/464287184.db2.gz ZPVWDGDQKPACAG-GJZGRUSLSA-N 2 1 348.491 2.229 20 30 EEEDMP C#CCNC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292887025 464376105 /nfs/dbraw/zinc/37/61/05/464376105.db2.gz URUNRYFOBWXBEL-PKOBYXMFSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCNC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292887025 464376113 /nfs/dbraw/zinc/37/61/13/464376113.db2.gz URUNRYFOBWXBEL-PKOBYXMFSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCNC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000292887025 464376117 /nfs/dbraw/zinc/37/61/17/464376117.db2.gz URUNRYFOBWXBEL-PKOBYXMFSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCNC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000292887025 464376123 /nfs/dbraw/zinc/37/61/23/464376123.db2.gz URUNRYFOBWXBEL-PKOBYXMFSA-N 2 1 327.472 2.111 20 30 EEEDMP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1ccccn1 ZINC000190536943 464670196 /nfs/dbraw/zinc/67/01/96/464670196.db2.gz ZJMPKLVJZZLMSJ-KRWDZBQOSA-N 2 1 339.443 2.099 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000247415483 464677671 /nfs/dbraw/zinc/67/76/71/464677671.db2.gz ZXWRKAHPUVDVFN-IEBWSBKVSA-N 2 1 332.488 2.428 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000247415483 464677680 /nfs/dbraw/zinc/67/76/80/464677680.db2.gz ZXWRKAHPUVDVFN-IEBWSBKVSA-N 2 1 332.488 2.428 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000247415483 464677688 /nfs/dbraw/zinc/67/76/88/464677688.db2.gz ZXWRKAHPUVDVFN-IEBWSBKVSA-N 2 1 332.488 2.428 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000247415483 464677698 /nfs/dbraw/zinc/67/76/98/464677698.db2.gz ZXWRKAHPUVDVFN-IEBWSBKVSA-N 2 1 332.488 2.428 20 30 EEEDMP C#CCOc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282216039 464739843 /nfs/dbraw/zinc/73/98/43/464739843.db2.gz HQSDUABHQAZQJW-KRWDZBQOSA-N 2 1 329.488 2.375 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1([NH+](C)C)CCC1 ZINC000330070912 465523201 /nfs/dbraw/zinc/52/32/01/465523201.db2.gz XMQCTCPLRRFBSA-UHFFFAOYSA-N 2 1 330.436 2.012 20 30 EEEDMP [O-]C(N[C@H]1CCn2ccnc2C1)=[NH+]C1CC[NH+](C2CCCC2)CC1 ZINC000330202806 465566536 /nfs/dbraw/zinc/56/65/36/465566536.db2.gz ZUHUNHSFQVKLRX-HNNXBMFYSA-N 2 1 331.464 2.109 20 30 EEEDMP [O-]C(NC1CC[NH+](C2CCCC2)CC1)=[NH+][C@H]1CCn2ccnc2C1 ZINC000330202806 465566539 /nfs/dbraw/zinc/56/65/39/465566539.db2.gz ZUHUNHSFQVKLRX-HNNXBMFYSA-N 2 1 331.464 2.109 20 30 EEEDMP CC[N@@H+]1CCCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000330223885 465574889 /nfs/dbraw/zinc/57/48/89/465574889.db2.gz ANCPYPMJIUHJDE-HNNXBMFYSA-N 2 1 347.507 2.437 20 30 EEEDMP CC[N@H+]1CCCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000330223885 465574896 /nfs/dbraw/zinc/57/48/96/465574896.db2.gz ANCPYPMJIUHJDE-HNNXBMFYSA-N 2 1 347.507 2.437 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000340962805 466470867 /nfs/dbraw/zinc/47/08/67/466470867.db2.gz SVIOCGXGGLNDLF-OKZBNKHCSA-N 2 1 336.524 2.467 20 30 EEEDMP C=CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000420305934 467346482 /nfs/dbraw/zinc/34/64/82/467346482.db2.gz QDXCMEIGJUJTAB-CVEARBPZSA-N 2 1 326.448 2.211 20 30 EEEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000562427947 468957800 /nfs/dbraw/zinc/95/78/00/468957800.db2.gz FJGJJHMFAJEDRN-INIZCTEOSA-N 2 1 338.459 2.290 20 30 EEEDMP C[C@@H]([NH2+]C1CCN(CC#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611564138 469280466 /nfs/dbraw/zinc/28/04/66/469280466.db2.gz NGOBTFDOPDCZBB-MJGOQNOKSA-N 2 1 326.488 2.475 20 30 EEEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000623493197 469674835 /nfs/dbraw/zinc/67/48/35/469674835.db2.gz YHMBUDJVSHSYOH-QGZVFWFLSA-N 2 1 340.851 2.070 20 30 EEEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000623493197 469674837 /nfs/dbraw/zinc/67/48/37/469674837.db2.gz YHMBUDJVSHSYOH-QGZVFWFLSA-N 2 1 340.851 2.070 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660705921 471453738 /nfs/dbraw/zinc/45/37/38/471453738.db2.gz XSJNAOZHJVHTED-QGZVFWFLSA-N 2 1 334.508 2.058 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969154205 674640864 /nfs/dbraw/zinc/64/08/64/674640864.db2.gz ZKZVLHGADURQSJ-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001020509056 674970165 /nfs/dbraw/zinc/97/01/65/674970165.db2.gz KEQNDEZDDNGLQM-QZHFEQFPSA-N 2 1 340.471 2.025 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001020591099 675223460 /nfs/dbraw/zinc/22/34/60/675223460.db2.gz DNDYSOXKGUWXIK-IYARVYRRSA-N 2 1 340.471 2.027 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001020591098 675223697 /nfs/dbraw/zinc/22/36/97/675223697.db2.gz DLVICACTWJTYAH-IYARVYRRSA-N 2 1 340.471 2.027 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001021096802 675729266 /nfs/dbraw/zinc/72/92/66/675729266.db2.gz ZRMKVFKZHLABOK-ZQIUZPCESA-N 2 1 346.500 2.231 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C)c2)C1 ZINC000971703229 676747718 /nfs/dbraw/zinc/74/77/18/676747718.db2.gz BAOPOGVRALPMKH-MSOLQXFVSA-N 2 1 345.512 2.187 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C)c2)C1 ZINC000971703229 676747721 /nfs/dbraw/zinc/74/77/21/676747721.db2.gz BAOPOGVRALPMKH-MSOLQXFVSA-N 2 1 345.512 2.187 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2csc(C)c2)C1 ZINC000971703229 676747722 /nfs/dbraw/zinc/74/77/22/676747722.db2.gz BAOPOGVRALPMKH-MSOLQXFVSA-N 2 1 345.512 2.187 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2csc(C)c2)C1 ZINC000971703229 676747723 /nfs/dbraw/zinc/74/77/23/676747723.db2.gz BAOPOGVRALPMKH-MSOLQXFVSA-N 2 1 345.512 2.187 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC000971785817 676790772 /nfs/dbraw/zinc/79/07/72/676790772.db2.gz ZGMVUMRRABYODG-SJLPKXTDSA-N 2 1 346.450 2.070 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972583850 679356753 /nfs/dbraw/zinc/35/67/53/679356753.db2.gz ZKLSFGPMGLFVKC-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028648878 681526903 /nfs/dbraw/zinc/52/69/03/681526903.db2.gz OOIIHFAEYYTVGQ-CQSZACIVSA-N 2 1 332.835 2.447 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028648878 681526905 /nfs/dbraw/zinc/52/69/05/681526905.db2.gz OOIIHFAEYYTVGQ-CQSZACIVSA-N 2 1 332.835 2.447 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@]2(C)C1 ZINC000982650917 681968497 /nfs/dbraw/zinc/96/84/97/681968497.db2.gz DVUFRVHCZBKEEN-OYRHEFFESA-N 2 1 339.483 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025241456 682300890 /nfs/dbraw/zinc/30/08/90/682300890.db2.gz XNVGQBOGCOBXPX-ZWKOTPCHSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025245963 682314451 /nfs/dbraw/zinc/31/44/51/682314451.db2.gz AUJSIEIPTDVVBF-MOPGFXCFSA-N 2 1 343.515 2.484 20 30 EEEDMP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262015827 682848452 /nfs/dbraw/zinc/84/84/52/682848452.db2.gz XRYYXYJQRWEKBQ-GXTWGEPZSA-N 2 1 333.480 2.120 20 30 EEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000985432127 686708667 /nfs/dbraw/zinc/70/86/67/686708667.db2.gz DKXMSESVOOCCLS-MRXNPFEDSA-N 2 1 325.884 2.004 20 30 EEEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCSCC2)[C@@H]1c1cccs1 ZINC000262519234 686800776 /nfs/dbraw/zinc/80/07/76/686800776.db2.gz HUAJXOFLSODDMK-DZGCQCFKSA-N 2 1 338.546 2.495 20 30 EEEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000303886582 686934218 /nfs/dbraw/zinc/93/42/18/686934218.db2.gz KGJZQUKZTULJNC-OAHLLOKOSA-N 2 1 349.910 2.119 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001029758179 687022883 /nfs/dbraw/zinc/02/28/83/687022883.db2.gz UFKMVUNPIFNYCP-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001029758179 687022887 /nfs/dbraw/zinc/02/28/87/687022887.db2.gz UFKMVUNPIFNYCP-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001029758179 687022889 /nfs/dbraw/zinc/02/28/89/687022889.db2.gz UFKMVUNPIFNYCP-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2ccccc2)C1 ZINC001029758179 687022892 /nfs/dbraw/zinc/02/28/92/687022892.db2.gz UFKMVUNPIFNYCP-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2ccccc2)C1 ZINC001029758179 687022895 /nfs/dbraw/zinc/02/28/95/687022895.db2.gz UFKMVUNPIFNYCP-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001267132784 1178303493 /nfs/dbraw/zinc/30/34/93/1178303493.db2.gz SNRUJMQGZOMSDS-KSSFIOAISA-N 2 1 349.425 2.047 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001267132784 1178303500 /nfs/dbraw/zinc/30/35/00/1178303500.db2.gz SNRUJMQGZOMSDS-KSSFIOAISA-N 2 1 349.425 2.047 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001481530579 1181657017 /nfs/dbraw/zinc/65/70/17/1181657017.db2.gz HVYKHNOVBCAHNM-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001481530579 1181657019 /nfs/dbraw/zinc/65/70/19/1181657019.db2.gz HVYKHNOVBCAHNM-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001481530579 1181657023 /nfs/dbraw/zinc/65/70/23/1181657023.db2.gz HVYKHNOVBCAHNM-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001481530579 1181657026 /nfs/dbraw/zinc/65/70/26/1181657026.db2.gz HVYKHNOVBCAHNM-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001481530579 1181657027 /nfs/dbraw/zinc/65/70/27/1181657027.db2.gz HVYKHNOVBCAHNM-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C[NH+]1CCC(C[N@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001272888262 1193592064 /nfs/dbraw/zinc/59/20/64/1193592064.db2.gz SYECBCYURNJGLM-LJQANCHMSA-N 2 1 332.492 2.089 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001076627029 1189053736 /nfs/dbraw/zinc/05/37/36/1189053736.db2.gz JZHWMPJKFKMVEW-FUHWJXTLSA-N 2 1 343.471 2.291 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001076627029 1189053740 /nfs/dbraw/zinc/05/37/40/1189053740.db2.gz JZHWMPJKFKMVEW-FUHWJXTLSA-N 2 1 343.471 2.291 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088836006 1189144390 /nfs/dbraw/zinc/14/43/90/1189144390.db2.gz ZNGLWNFEKISXGA-DYVFJYSZSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088836006 1189144393 /nfs/dbraw/zinc/14/43/93/1189144393.db2.gz ZNGLWNFEKISXGA-DYVFJYSZSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccccc1C#N ZINC001409684853 1190186084 /nfs/dbraw/zinc/18/60/84/1190186084.db2.gz KKHJPPLVCKGUGU-KRWDZBQOSA-N 2 1 342.487 2.371 20 30 EEEDMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1C#N ZINC001409684853 1190186089 /nfs/dbraw/zinc/18/60/89/1190186089.db2.gz KKHJPPLVCKGUGU-KRWDZBQOSA-N 2 1 342.487 2.371 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819263 1194445588 /nfs/dbraw/zinc/44/55/88/1194445588.db2.gz YMVQCQJPEARULH-RDGPPVDQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946819263 1194445590 /nfs/dbraw/zinc/44/55/90/1194445590.db2.gz YMVQCQJPEARULH-RDGPPVDQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946819263 1194445594 /nfs/dbraw/zinc/44/55/94/1194445594.db2.gz YMVQCQJPEARULH-RDGPPVDQSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005503929 1195737694 /nfs/dbraw/zinc/73/76/94/1195737694.db2.gz LOVHXQYVGOYKDM-LJQANCHMSA-N 2 1 331.504 2.340 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366106 1196155499 /nfs/dbraw/zinc/15/54/99/1196155499.db2.gz WWCFTOABLNUEFU-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366106 1196155503 /nfs/dbraw/zinc/15/55/03/1196155503.db2.gz WWCFTOABLNUEFU-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC001034961315 1196942242 /nfs/dbraw/zinc/94/22/42/1196942242.db2.gz NGFXDMHWYSKMKX-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC001034961315 1196942245 /nfs/dbraw/zinc/94/22/45/1196942245.db2.gz NGFXDMHWYSKMKX-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011585 1200332674 /nfs/dbraw/zinc/33/26/74/1200332674.db2.gz KTEXWPVAFXOVIN-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3ccc(C#N)nc3)CC2)C1 ZINC001275295850 1205301704 /nfs/dbraw/zinc/30/17/04/1205301704.db2.gz MEQCYKHKGAIDAI-UHFFFAOYSA-N 2 1 341.503 2.193 20 30 EEEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3c[nH]c4c3cccc4C#N)[C@@H]2C1 ZINC001275367700 1205324469 /nfs/dbraw/zinc/32/44/69/1205324469.db2.gz NKSAAKMNGQJABE-QFBILLFUSA-N 2 1 337.471 2.107 20 30 EEEDMP N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001015273832 1225020227 /nfs/dbraw/zinc/02/02/27/1225020227.db2.gz FSDSXNHQDWWHBJ-SFHVURJKSA-N 2 1 345.406 2.210 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001015273832 1225020233 /nfs/dbraw/zinc/02/02/33/1225020233.db2.gz FSDSXNHQDWWHBJ-SFHVURJKSA-N 2 1 345.406 2.210 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439411 1209139507 /nfs/dbraw/zinc/13/95/07/1209139507.db2.gz OXRPFKMEUCIPRX-IRXDYDNUSA-N 2 1 328.460 2.097 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439411 1209139510 /nfs/dbraw/zinc/13/95/10/1209139510.db2.gz OXRPFKMEUCIPRX-IRXDYDNUSA-N 2 1 328.460 2.097 20 30 EEEDMP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948985473 1209489806 /nfs/dbraw/zinc/48/98/06/1209489806.db2.gz DZOJSGMJQDKHMQ-PKOBYXMFSA-N 2 1 327.472 2.230 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948985473 1209489809 /nfs/dbraw/zinc/48/98/09/1209489809.db2.gz DZOJSGMJQDKHMQ-PKOBYXMFSA-N 2 1 327.472 2.230 20 30 EEEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948985473 1209489813 /nfs/dbraw/zinc/48/98/13/1209489813.db2.gz DZOJSGMJQDKHMQ-PKOBYXMFSA-N 2 1 327.472 2.230 20 30 EEEDMP C[C@@H]1C[N@H+](CCC[NH+]=C(NCc2ccccc2)N(C)C)C[C@H](C)O1 ZINC000303788780 1213906129 /nfs/dbraw/zinc/90/61/29/1213906129.db2.gz UQYMJASXVRYFDP-CALCHBBNSA-N 2 1 332.492 2.193 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NCC3CCC3)c2)CCO1 ZINC000303883768 1213919324 /nfs/dbraw/zinc/91/93/24/1213919324.db2.gz MGBXYSDIFDMSMH-OAHLLOKOSA-N 2 1 330.476 2.112 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NCC3CCC3)c2)CCO1 ZINC000303883768 1213919328 /nfs/dbraw/zinc/91/93/28/1213919328.db2.gz MGBXYSDIFDMSMH-OAHLLOKOSA-N 2 1 330.476 2.112 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303885720 1213920556 /nfs/dbraw/zinc/92/05/56/1213920556.db2.gz JYUWEPPZCAXORR-MSOLQXFVSA-N 3 1 337.556 2.132 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000304468578 1216044001 /nfs/dbraw/zinc/04/40/01/1216044001.db2.gz CMIHAKRUHULGBV-PKOBYXMFSA-N 3 1 345.535 2.286 20 30 EEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000304468578 1216044005 /nfs/dbraw/zinc/04/40/05/1216044005.db2.gz CMIHAKRUHULGBV-PKOBYXMFSA-N 3 1 345.535 2.286 20 30 EEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000304468578 1216044011 /nfs/dbraw/zinc/04/40/11/1216044011.db2.gz CMIHAKRUHULGBV-PKOBYXMFSA-N 3 1 345.535 2.286 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960269969 1216461260 /nfs/dbraw/zinc/46/12/60/1216461260.db2.gz BOGITGKIEIRYKJ-FBBABVLZSA-N 2 1 339.483 2.254 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2C)C1 ZINC000961938970 1217411938 /nfs/dbraw/zinc/41/19/38/1217411938.db2.gz VPBHBVUAVNQIGW-UUKMXZOPSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2C)C1 ZINC000961938970 1217411948 /nfs/dbraw/zinc/41/19/48/1217411948.db2.gz VPBHBVUAVNQIGW-UUKMXZOPSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383291 1217579948 /nfs/dbraw/zinc/57/99/48/1217579948.db2.gz MXDXPQIZFXASAQ-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401592 1220482945 /nfs/dbraw/zinc/48/29/45/1220482945.db2.gz DRWRWAGYQQMNOZ-NVXWUHKLSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401592 1220482949 /nfs/dbraw/zinc/48/29/49/1220482949.db2.gz DRWRWAGYQQMNOZ-NVXWUHKLSA-N 2 1 330.476 2.165 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425184 1220501502 /nfs/dbraw/zinc/50/15/02/1220501502.db2.gz YHFVYEONOCINAK-PXNSSMCTSA-N 2 1 341.499 2.254 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477389 1221336116 /nfs/dbraw/zinc/33/61/16/1221336116.db2.gz SOOQOGRMJKXOMR-QAPCUYQASA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477389 1221336120 /nfs/dbraw/zinc/33/61/20/1221336120.db2.gz SOOQOGRMJKXOMR-QAPCUYQASA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008990774 1223106060 /nfs/dbraw/zinc/10/60/60/1223106060.db2.gz AQQIAWKUKJTMBL-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008990774 1223106063 /nfs/dbraw/zinc/10/60/63/1223106063.db2.gz AQQIAWKUKJTMBL-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014394020 1226557373 /nfs/dbraw/zinc/55/73/73/1226557373.db2.gz AAWFPUZGGXKQMU-RBUKOAKNSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014394020 1226557377 /nfs/dbraw/zinc/55/73/77/1226557377.db2.gz AAWFPUZGGXKQMU-RBUKOAKNSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001014394020 1226557381 /nfs/dbraw/zinc/55/73/81/1226557381.db2.gz AAWFPUZGGXKQMU-RBUKOAKNSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001014394020 1226557386 /nfs/dbraw/zinc/55/73/86/1226557386.db2.gz AAWFPUZGGXKQMU-RBUKOAKNSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702017 1226796437 /nfs/dbraw/zinc/79/64/37/1226796437.db2.gz HVQLBMBSHZQOEV-MSOLQXFVSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001019383795 1229055016 /nfs/dbraw/zinc/05/50/16/1229055016.db2.gz NGZUGNDBUYQPLJ-BBRMVZONSA-N 2 1 331.863 2.142 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCC2=CCCCC2)CC1 ZINC001039041278 1230257269 /nfs/dbraw/zinc/25/72/69/1230257269.db2.gz BKNKBTFTPOICQE-HXUWFJFHSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2C)CC1 ZINC001039041933 1230258018 /nfs/dbraw/zinc/25/80/18/1230258018.db2.gz JUSZGCDCXSPZLO-HXUWFJFHSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039183357 1230411055 /nfs/dbraw/zinc/41/10/55/1230411055.db2.gz ZWARRJAUWQJTDM-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039211524 1230439182 /nfs/dbraw/zinc/43/91/82/1230439182.db2.gz BEYSJGMRGBJTHO-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039211524 1230439183 /nfs/dbraw/zinc/43/91/83/1230439183.db2.gz BEYSJGMRGBJTHO-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039211524 1230439186 /nfs/dbraw/zinc/43/91/86/1230439186.db2.gz BEYSJGMRGBJTHO-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375769 1230562529 /nfs/dbraw/zinc/56/25/29/1230562529.db2.gz WJNHHCOOKPTBJZ-MSOLQXFVSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452433 1230619507 /nfs/dbraw/zinc/61/95/07/1230619507.db2.gz VZAMVVVDRQIVEQ-MOPGFXCFSA-N 2 1 325.456 2.060 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039473909 1230637738 /nfs/dbraw/zinc/63/77/38/1230637738.db2.gz ILMZYOXMSBNLQF-MOPGFXCFSA-N 2 1 339.483 2.450 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040277254 1231148527 /nfs/dbraw/zinc/14/85/27/1231148527.db2.gz ZJOHMDYJAOLRKV-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040277254 1231148529 /nfs/dbraw/zinc/14/85/29/1231148529.db2.gz ZJOHMDYJAOLRKV-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040277254 1231148536 /nfs/dbraw/zinc/14/85/36/1231148536.db2.gz ZJOHMDYJAOLRKV-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347367 1231180703 /nfs/dbraw/zinc/18/07/03/1231180703.db2.gz KAIMKOUDGQDPTJ-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347367 1231180708 /nfs/dbraw/zinc/18/07/08/1231180708.db2.gz KAIMKOUDGQDPTJ-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347367 1231180712 /nfs/dbraw/zinc/18/07/12/1231180712.db2.gz KAIMKOUDGQDPTJ-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040496819 1231263662 /nfs/dbraw/zinc/26/36/62/1231263662.db2.gz MMTDODYFCXSVTR-IBGZPJMESA-N 2 1 328.460 2.262 20 30 EEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040496819 1231263663 /nfs/dbraw/zinc/26/36/63/1231263663.db2.gz MMTDODYFCXSVTR-IBGZPJMESA-N 2 1 328.460 2.262 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001040721817 1231348070 /nfs/dbraw/zinc/34/80/70/1231348070.db2.gz AREXOYIQGFJYMT-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505617 1231571160 /nfs/dbraw/zinc/57/11/60/1231571160.db2.gz LBBSQIWPDKWZHN-AZUAARDMSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041597959 1231616634 /nfs/dbraw/zinc/61/66/34/1231616634.db2.gz IJJNATLOBDSVCT-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041597959 1231616636 /nfs/dbraw/zinc/61/66/36/1231616636.db2.gz IJJNATLOBDSVCT-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041792151 1231697415 /nfs/dbraw/zinc/69/74/15/1231697415.db2.gz WPYBJMXADISQDQ-LJQANCHMSA-N 2 1 328.460 2.262 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041792151 1231697417 /nfs/dbraw/zinc/69/74/17/1231697417.db2.gz WPYBJMXADISQDQ-LJQANCHMSA-N 2 1 328.460 2.262 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847164 1231729669 /nfs/dbraw/zinc/72/96/69/1231729669.db2.gz KDVUBDZTBHKXTN-AZUAARDMSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847164 1231729670 /nfs/dbraw/zinc/72/96/70/1231729670.db2.gz KDVUBDZTBHKXTN-AZUAARDMSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042270774 1231995225 /nfs/dbraw/zinc/99/52/25/1231995225.db2.gz SECOOCYZJPVUSX-MJGOQNOKSA-N 2 1 327.472 2.471 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](C/C=C\Cl)[C@H]3C2)CC1 ZINC001042367590 1232049711 /nfs/dbraw/zinc/04/97/11/1232049711.db2.gz IICQWIFFDCKTIC-JJSZIUKISA-N 2 1 349.906 2.007 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042368456 1232049880 /nfs/dbraw/zinc/04/98/80/1232049880.db2.gz QMEMAHAAXRLMLV-PXNSSMCTSA-N 2 1 339.483 2.308 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC001045070312 1233483591 /nfs/dbraw/zinc/48/35/91/1233483591.db2.gz CIGWTKUUGUWQSK-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC[C@H](C)F)CC1 ZINC001045896040 1234128313 /nfs/dbraw/zinc/12/83/13/1234128313.db2.gz SYFHOXXMUVMFCO-UHOSZYNNSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045937533 1234190734 /nfs/dbraw/zinc/19/07/34/1234190734.db2.gz FVTFUDXFXLQBPF-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976393 1234262693 /nfs/dbraw/zinc/26/26/93/1234262693.db2.gz YFYRLRGPUQRDKH-OAQYLSRUSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046990441 1235401255 /nfs/dbraw/zinc/40/12/55/1235401255.db2.gz QVYLYQDIUKJTDR-HNNXBMFYSA-N 2 1 341.446 2.122 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048527562 1237871661 /nfs/dbraw/zinc/87/16/61/1237871661.db2.gz RXIDVQMHPKTONO-FCGDIQPGSA-N 2 1 331.504 2.242 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048527562 1237871668 /nfs/dbraw/zinc/87/16/68/1237871668.db2.gz RXIDVQMHPKTONO-FCGDIQPGSA-N 2 1 331.504 2.242 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001048527562 1237871673 /nfs/dbraw/zinc/87/16/73/1237871673.db2.gz RXIDVQMHPKTONO-FCGDIQPGSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001048557564 1237959445 /nfs/dbraw/zinc/95/94/45/1237959445.db2.gz PPAZRYZJJYMCLZ-OKYOBFRVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048557564 1237959451 /nfs/dbraw/zinc/95/94/51/1237959451.db2.gz PPAZRYZJJYMCLZ-OKYOBFRVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048557564 1237959457 /nfs/dbraw/zinc/95/94/57/1237959457.db2.gz PPAZRYZJJYMCLZ-OKYOBFRVSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049000767 1239706472 /nfs/dbraw/zinc/70/64/72/1239706472.db2.gz GZINJMVCTOBBMA-ZACQAIPSSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049000767 1239706476 /nfs/dbraw/zinc/70/64/76/1239706476.db2.gz GZINJMVCTOBBMA-ZACQAIPSSA-N 2 1 339.911 2.251 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050067023 1242765324 /nfs/dbraw/zinc/76/53/24/1242765324.db2.gz KNPQTFFAQWHZLW-IPMKNSEASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067023 1242765333 /nfs/dbraw/zinc/76/53/33/1242765333.db2.gz KNPQTFFAQWHZLW-IPMKNSEASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067023 1242765340 /nfs/dbraw/zinc/76/53/40/1242765340.db2.gz KNPQTFFAQWHZLW-IPMKNSEASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050575277 1243871057 /nfs/dbraw/zinc/87/10/57/1243871057.db2.gz ALQKXEAPKNGLRG-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053039274 1245742052 /nfs/dbraw/zinc/74/20/52/1245742052.db2.gz DLQQLCIYHYZNOY-UXHICEINSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)O2 ZINC001053605837 1246522732 /nfs/dbraw/zinc/52/27/32/1246522732.db2.gz MTCHKEKXQBBXPO-ZWKOTPCHSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)O2 ZINC001053674156 1246625399 /nfs/dbraw/zinc/62/53/99/1246625399.db2.gz JRTFJGLIQLQJKO-ROUUACIJSA-N 2 1 349.519 2.175 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001052255273 1246783735 /nfs/dbraw/zinc/78/37/35/1246783735.db2.gz YPTVENQIETUOBK-PMACEKPBSA-N 2 1 339.483 2.103 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001052255273 1246783740 /nfs/dbraw/zinc/78/37/40/1246783740.db2.gz YPTVENQIETUOBK-PMACEKPBSA-N 2 1 339.483 2.103 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001052255273 1246783745 /nfs/dbraw/zinc/78/37/45/1246783745.db2.gz YPTVENQIETUOBK-PMACEKPBSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054173466 1247607110 /nfs/dbraw/zinc/60/71/10/1247607110.db2.gz BYXYRHSPRIQXNN-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209727 1247725590 /nfs/dbraw/zinc/72/55/90/1247725590.db2.gz WKZUGDGJKOYBPE-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209727 1247725597 /nfs/dbraw/zinc/72/55/97/1247725597.db2.gz WKZUGDGJKOYBPE-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209727 1247725605 /nfs/dbraw/zinc/72/56/05/1247725605.db2.gz WKZUGDGJKOYBPE-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)cc2C1 ZINC001054265329 1247934735 /nfs/dbraw/zinc/93/47/35/1247934735.db2.gz KKFXVOHDYGNSDH-LJQANCHMSA-N 2 1 325.456 2.146 20 30 EEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)cc2C1 ZINC001054265329 1247934746 /nfs/dbraw/zinc/93/47/46/1247934746.db2.gz KKFXVOHDYGNSDH-LJQANCHMSA-N 2 1 325.456 2.146 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001074877927 1257185933 /nfs/dbraw/zinc/18/59/33/1257185933.db2.gz SAYUZLOKVPCPHT-KEYYUXOJSA-N 2 1 346.500 2.183 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)CC)CC1 ZINC001098461187 1257698049 /nfs/dbraw/zinc/69/80/49/1257698049.db2.gz SEGNIMTWDSDPGI-AITUJVMLSA-N 2 1 331.504 2.099 20 30 EEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185780272 1278779100 /nfs/dbraw/zinc/77/91/00/1278779100.db2.gz UWWWWGVBFGLPND-PKOBYXMFSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185780272 1278779106 /nfs/dbraw/zinc/77/91/06/1278779106.db2.gz UWWWWGVBFGLPND-PKOBYXMFSA-N 2 1 329.488 2.379 20 30 EEEDMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)C1 ZINC001192142483 1281843150 /nfs/dbraw/zinc/84/31/50/1281843150.db2.gz IOUQMESJWSUTRJ-SFHVURJKSA-N 2 1 347.890 2.176 20 30 EEEDMP CC#CC[NH2+][C@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198969937 1285452674 /nfs/dbraw/zinc/45/26/74/1285452674.db2.gz YYHIKSRHTYQXNI-GOSISDBHSA-N 2 1 345.487 2.197 20 30 EEEDMP C#C[C@H](CC)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000854073533 1292609796 /nfs/dbraw/zinc/60/97/96/1292609796.db2.gz WLVZIBIBCJNHAF-GOSISDBHSA-N 2 1 348.535 2.236 20 30 EEEDMP C#CCCOC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000859078540 1294311074 /nfs/dbraw/zinc/31/10/74/1294311074.db2.gz BJRXVOHZHDDGAR-ROUUACIJSA-N 2 1 335.492 2.415 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](CC)CC)C1 ZINC001099539236 1299197874 /nfs/dbraw/zinc/19/78/74/1299197874.db2.gz ZOMOCZBEPDHLFA-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3ccnc3)C[C@@H]21 ZINC001222936773 1299925752 /nfs/dbraw/zinc/92/57/52/1299925752.db2.gz PEZDHUGKOGKZKO-QRVBRYPASA-N 2 1 342.487 2.416 20 30 EEEDMP C#CCCC[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001276979730 1300638586 /nfs/dbraw/zinc/63/85/86/1300638586.db2.gz LUXATMOZXXXSAR-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)[C@H](C)C1 ZINC001102285159 1300739538 /nfs/dbraw/zinc/73/95/38/1300739538.db2.gz CQWXYXHFVRXDAL-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001102285159 1300739544 /nfs/dbraw/zinc/73/95/44/1300739544.db2.gz CQWXYXHFVRXDAL-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001102285159 1300739551 /nfs/dbraw/zinc/73/95/51/1300739551.db2.gz CQWXYXHFVRXDAL-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C=C(Br)C[NH+]1CCC(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001225228681 1300935242 /nfs/dbraw/zinc/93/52/42/1300935242.db2.gz UMOTUTFHSLLDJV-UHFFFAOYSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[NH+]1CCC(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001225228681 1300935243 /nfs/dbraw/zinc/93/52/43/1300935243.db2.gz UMOTUTFHSLLDJV-UHFFFAOYSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001103050122 1302130033 /nfs/dbraw/zinc/13/00/33/1302130033.db2.gz SXPVGGPNIVIAFS-FVQBIDKESA-N 2 1 347.906 2.493 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001228166810 1302134481 /nfs/dbraw/zinc/13/44/81/1302134481.db2.gz AZFHAHAWRJJQRO-KZNAEPCWSA-N 2 1 337.508 2.079 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001228166810 1302134483 /nfs/dbraw/zinc/13/44/83/1302134483.db2.gz AZFHAHAWRJJQRO-KZNAEPCWSA-N 2 1 337.508 2.079 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001103099285 1302221306 /nfs/dbraw/zinc/22/13/06/1302221306.db2.gz HXEDSVUHUBDTEJ-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001103099285 1302221311 /nfs/dbraw/zinc/22/13/11/1302221311.db2.gz HXEDSVUHUBDTEJ-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001103099285 1302221314 /nfs/dbraw/zinc/22/13/14/1302221314.db2.gz HXEDSVUHUBDTEJ-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001103099285 1302221317 /nfs/dbraw/zinc/22/13/17/1302221317.db2.gz HXEDSVUHUBDTEJ-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407570 1302918828 /nfs/dbraw/zinc/91/88/28/1302918828.db2.gz JNSPKQAIYLVOCG-FVQBIDKESA-N 2 1 329.916 2.399 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001111817182 1303934920 /nfs/dbraw/zinc/93/49/20/1303934920.db2.gz SYKQJDUAUCGCKC-RXVVDRJESA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](C)CC(C)C)C[C@H]32)CC1 ZINC001115290002 1304907557 /nfs/dbraw/zinc/90/75/57/1304907557.db2.gz LTEHYCPOXKYZNK-IJXRJRJASA-N 2 1 345.531 2.060 20 30 EEEDMP C(#Cc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1)c1ccccc1 ZINC001234979171 1305070321 /nfs/dbraw/zinc/07/03/21/1305070321.db2.gz CCACIBGUQFFPSN-QFIPXVFZSA-N 2 1 331.463 2.224 20 30 EEEDMP C=CCOc1cccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)c1 ZINC001236040242 1305485218 /nfs/dbraw/zinc/48/52/18/1305485218.db2.gz IJEVDVOYDCWASB-YLJYHZDGSA-N 2 1 344.455 2.226 20 30 EEEDMP C=CCOc1cccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)c1 ZINC001236040242 1305485230 /nfs/dbraw/zinc/48/52/30/1305485230.db2.gz IJEVDVOYDCWASB-YLJYHZDGSA-N 2 1 344.455 2.226 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCCCC1 ZINC001115730685 1305682211 /nfs/dbraw/zinc/68/22/11/1305682211.db2.gz PBBWDYFFEKULMS-QGZVFWFLSA-N 2 1 342.487 2.186 20 30 EEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001238189977 1306284835 /nfs/dbraw/zinc/28/48/35/1306284835.db2.gz BNNCLQDBKSSYIW-ZWKOTPCHSA-N 2 1 332.879 2.422 20 30 EEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001238189977 1306284845 /nfs/dbraw/zinc/28/48/45/1306284845.db2.gz BNNCLQDBKSSYIW-ZWKOTPCHSA-N 2 1 332.879 2.422 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001246306349 1310276515 /nfs/dbraw/zinc/27/65/15/1310276515.db2.gz WHBXXLPDFASISX-IRXDYDNUSA-N 3 1 327.513 2.313 20 30 EEEDMP C[C@]1([NH3+])CCC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001246556337 1310341461 /nfs/dbraw/zinc/34/14/61/1310341461.db2.gz YXBNWTNBEVYDQY-FQEVSTJZSA-N 2 1 340.471 2.366 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033790 1316941234 /nfs/dbraw/zinc/94/12/34/1316941234.db2.gz MWGHYLMHHJUIBW-RHSMWYFYSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033790 1316941235 /nfs/dbraw/zinc/94/12/35/1316941235.db2.gz MWGHYLMHHJUIBW-RHSMWYFYSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033790 1316941237 /nfs/dbraw/zinc/94/12/37/1316941237.db2.gz MWGHYLMHHJUIBW-RHSMWYFYSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227088 1317511990 /nfs/dbraw/zinc/51/19/90/1317511990.db2.gz UAKMEVQWXWIFGD-IAGOWNOFSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227088 1317511996 /nfs/dbraw/zinc/51/19/96/1317511996.db2.gz UAKMEVQWXWIFGD-IAGOWNOFSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155227088 1317511998 /nfs/dbraw/zinc/51/19/98/1317511998.db2.gz UAKMEVQWXWIFGD-IAGOWNOFSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155227088 1317512005 /nfs/dbraw/zinc/51/20/05/1317512005.db2.gz UAKMEVQWXWIFGD-IAGOWNOFSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C[C@](C)(O)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001252552574 1317633915 /nfs/dbraw/zinc/63/39/15/1317633915.db2.gz KNMJBGDQPRKWJA-KRWDZBQOSA-N 2 1 336.501 2.352 20 30 EEEDMP C=C[C@](C)(O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001252552574 1317633922 /nfs/dbraw/zinc/63/39/22/1317633922.db2.gz KNMJBGDQPRKWJA-KRWDZBQOSA-N 2 1 336.501 2.352 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(C#N)c1 ZINC001156525434 1318052771 /nfs/dbraw/zinc/05/27/71/1318052771.db2.gz OFXKCXQRMKEFPH-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(C#N)c1 ZINC001156525434 1318052773 /nfs/dbraw/zinc/05/27/73/1318052773.db2.gz OFXKCXQRMKEFPH-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C#N)c1 ZINC001156525434 1318052780 /nfs/dbraw/zinc/05/27/80/1318052780.db2.gz OFXKCXQRMKEFPH-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001157887732 1318918126 /nfs/dbraw/zinc/91/81/26/1318918126.db2.gz YFQSXPAJBUIQPY-SFHVURJKSA-N 2 1 328.460 2.027 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1cn2c(n1)CCCC2 ZINC001157981351 1318958478 /nfs/dbraw/zinc/95/84/78/1318958478.db2.gz GUYNGKHHTUFNCC-GOSISDBHSA-N 2 1 342.487 2.098 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001158029707 1318976636 /nfs/dbraw/zinc/97/66/36/1318976636.db2.gz MAXVXFMWFDAQTG-SJORKVTESA-N 2 1 325.472 2.003 20 30 EEEDMP N#Cc1ccc(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)cc1F ZINC001159084986 1319599475 /nfs/dbraw/zinc/59/94/75/1319599475.db2.gz XNOIJBOUHDEHMZ-UHFFFAOYSA-N 2 1 326.379 2.027 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160518930 1320181901 /nfs/dbraw/zinc/18/19/01/1320181901.db2.gz TWEVRHQUQAILAM-UHFFFAOYSA-N 2 1 337.508 2.058 20 30 EEEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160518930 1320181902 /nfs/dbraw/zinc/18/19/02/1320181902.db2.gz TWEVRHQUQAILAM-UHFFFAOYSA-N 2 1 337.508 2.058 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160518930 1320181903 /nfs/dbraw/zinc/18/19/03/1320181903.db2.gz TWEVRHQUQAILAM-UHFFFAOYSA-N 2 1 337.508 2.058 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001161041653 1320364987 /nfs/dbraw/zinc/36/49/87/1320364987.db2.gz KURUYQHCOLLBPR-GOSISDBHSA-N 2 1 347.890 2.272 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161472144 1320511210 /nfs/dbraw/zinc/51/12/10/1320511210.db2.gz NNPOSMJWGQFTJB-GOSISDBHSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161472144 1320511213 /nfs/dbraw/zinc/51/12/13/1320511213.db2.gz NNPOSMJWGQFTJB-GOSISDBHSA-N 2 1 349.519 2.202 20 30 EEEDMP C#CCC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578862 1321424092 /nfs/dbraw/zinc/42/40/92/1321424092.db2.gz WKVKRDZUGXKLNH-INIZCTEOSA-N 2 1 330.476 2.296 20 30 EEEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCCO2)cc1C#N ZINC001276431067 1321998417 /nfs/dbraw/zinc/99/84/17/1321998417.db2.gz AQVDEVLDQNEICJ-RGPMPMONSA-N 2 1 328.460 2.161 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205290591 1322344142 /nfs/dbraw/zinc/34/41/42/1322344142.db2.gz LOKMSQUJKRJRIW-IBGZPJMESA-N 2 1 345.531 2.493 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001208605982 1324586990 /nfs/dbraw/zinc/58/69/90/1324586990.db2.gz YGDKGVFBFQLCSI-CRAIPNDOSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001208605982 1324586994 /nfs/dbraw/zinc/58/69/94/1324586994.db2.gz YGDKGVFBFQLCSI-CRAIPNDOSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCN(CC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1)C(=O)OCC ZINC001209024010 1324767235 /nfs/dbraw/zinc/76/72/35/1324767235.db2.gz PGQFMIQRBBPKNS-UHFFFAOYSA-N 2 1 332.448 2.157 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210243083 1325210897 /nfs/dbraw/zinc/21/08/97/1325210897.db2.gz FCUDDNTWKMRBGT-QRQLOZEOSA-N 2 1 327.472 2.139 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210243083 1325210904 /nfs/dbraw/zinc/21/09/04/1325210904.db2.gz FCUDDNTWKMRBGT-QRQLOZEOSA-N 2 1 327.472 2.139 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243083 1325210913 /nfs/dbraw/zinc/21/09/13/1325210913.db2.gz FCUDDNTWKMRBGT-QRQLOZEOSA-N 2 1 327.472 2.139 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243083 1325210920 /nfs/dbraw/zinc/21/09/20/1325210920.db2.gz FCUDDNTWKMRBGT-QRQLOZEOSA-N 2 1 327.472 2.139 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001282454680 1325725119 /nfs/dbraw/zinc/72/51/19/1325725119.db2.gz FYPQRPUATWWBSB-PKOBYXMFSA-N 2 1 329.488 2.061 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001282454680 1325725121 /nfs/dbraw/zinc/72/51/21/1325725121.db2.gz FYPQRPUATWWBSB-PKOBYXMFSA-N 2 1 329.488 2.061 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CCC3)C2)CC1 ZINC001072096210 1370606043 /nfs/dbraw/zinc/60/60/43/1370606043.db2.gz VLGOWORLMKQSKH-VQIMIIECSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001122248485 1371955229 /nfs/dbraw/zinc/95/52/29/1371955229.db2.gz IVQDIMRGDZIZGN-WZXTXQKWSA-N 2 1 327.472 2.492 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)cc1F ZINC001372557095 1376073346 /nfs/dbraw/zinc/07/33/46/1376073346.db2.gz QNOKNNQAHWECBK-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)cc1F ZINC001372557095 1376073348 /nfs/dbraw/zinc/07/33/48/1376073348.db2.gz QNOKNNQAHWECBK-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001372557095 1376073353 /nfs/dbraw/zinc/07/33/53/1376073353.db2.gz QNOKNNQAHWECBK-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001372557095 1376073354 /nfs/dbraw/zinc/07/33/54/1376073354.db2.gz QNOKNNQAHWECBK-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001377209010 1379036531 /nfs/dbraw/zinc/03/65/31/1379036531.db2.gz SARRTVAXQUNKBQ-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001377209010 1379036533 /nfs/dbraw/zinc/03/65/33/1379036533.db2.gz SARRTVAXQUNKBQ-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@@H+](C)CCC(=C)C)C2)CC1 ZINC001752526175 1406317602 /nfs/dbraw/zinc/31/76/02/1406317602.db2.gz QTBBIMWIUPUEAC-IBGZPJMESA-N 2 1 345.531 2.468 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001754581976 1406931543 /nfs/dbraw/zinc/93/15/43/1406931543.db2.gz PBFCAPIJDGGSHX-GDBMZVCRSA-N 2 1 330.476 2.251 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001754920243 1406997347 /nfs/dbraw/zinc/99/73/47/1406997347.db2.gz XSWZBMGMWCNRTF-UXHICEINSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001754920243 1406997350 /nfs/dbraw/zinc/99/73/50/1406997350.db2.gz XSWZBMGMWCNRTF-UXHICEINSA-N 2 1 339.483 2.112 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001422757263 1400183264 /nfs/dbraw/zinc/18/32/64/1400183264.db2.gz VQSYWIQJFOLXIO-GUYCJALGSA-N 2 1 348.516 2.142 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001425969646 1401824396 /nfs/dbraw/zinc/82/43/96/1401824396.db2.gz PVAUIQOSENRTDE-KBPBESRZSA-N 2 1 346.313 2.111 20 30 EEEDMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001567777504 1403506090 /nfs/dbraw/zinc/50/60/90/1403506090.db2.gz DIEZEEQJPQDLNE-SFHVURJKSA-N 2 1 347.890 2.224 20 30 EEEDMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001567777504 1403506094 /nfs/dbraw/zinc/50/60/94/1403506094.db2.gz DIEZEEQJPQDLNE-SFHVURJKSA-N 2 1 347.890 2.224 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001725169165 1405785589 /nfs/dbraw/zinc/78/55/89/1405785589.db2.gz FYPQRPUATWWBSB-HKUYNNGSSA-N 2 1 329.488 2.061 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001725169165 1405785599 /nfs/dbraw/zinc/78/55/99/1405785599.db2.gz FYPQRPUATWWBSB-HKUYNNGSSA-N 2 1 329.488 2.061 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2ccccc2C#N)CC[N@H+]1C ZINC001751978576 1406158370 /nfs/dbraw/zinc/15/83/70/1406158370.db2.gz DIOVPKMVAACVGJ-RBUKOAKNSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001751978576 1406158374 /nfs/dbraw/zinc/15/83/74/1406158374.db2.gz DIOVPKMVAACVGJ-RBUKOAKNSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001751978576 1406158375 /nfs/dbraw/zinc/15/83/75/1406158375.db2.gz DIOVPKMVAACVGJ-RBUKOAKNSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001100681888 1410695524 /nfs/dbraw/zinc/69/55/24/1410695524.db2.gz WPZUIVVLQZKZQU-UHFFFAOYSA-N 2 1 329.488 2.221 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001089863405 782298148 /nfs/dbraw/zinc/29/81/48/782298148.db2.gz ZQCMBPVEFAFMDF-MANSERQUSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089863405 782298155 /nfs/dbraw/zinc/29/81/55/782298155.db2.gz ZQCMBPVEFAFMDF-MANSERQUSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089863405 782298158 /nfs/dbraw/zinc/29/81/58/782298158.db2.gz ZQCMBPVEFAFMDF-MANSERQUSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001087313904 761597742 /nfs/dbraw/zinc/59/77/42/761597742.db2.gz BQHFFKPYFABCNM-IXDOHACOSA-N 2 1 331.504 2.264 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1CCC)C[C@@H](C)O2 ZINC001098603029 764968011 /nfs/dbraw/zinc/96/80/11/764968011.db2.gz JDELEZLLPDOXAH-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089417179 768919624 /nfs/dbraw/zinc/91/96/24/768919624.db2.gz VZRKLCOLPVEZLG-KRWDZBQOSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992508 782735486 /nfs/dbraw/zinc/73/54/86/782735486.db2.gz YFRFLFIIHKIBGE-CABCVRRESA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992508 782735493 /nfs/dbraw/zinc/73/54/93/782735493.db2.gz YFRFLFIIHKIBGE-CABCVRRESA-N 2 1 325.884 2.004 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]2C1 ZINC001088077560 782870566 /nfs/dbraw/zinc/87/05/66/782870566.db2.gz FLIYZOTXUQUAII-QYZOEREBSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077560 782870573 /nfs/dbraw/zinc/87/05/73/782870573.db2.gz FLIYZOTXUQUAII-QYZOEREBSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077560 782870579 /nfs/dbraw/zinc/87/05/79/782870579.db2.gz FLIYZOTXUQUAII-QYZOEREBSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088130037 782950282 /nfs/dbraw/zinc/95/02/82/782950282.db2.gz SVZYEFCYSKUYAJ-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166548 783011270 /nfs/dbraw/zinc/01/12/70/783011270.db2.gz HBFVOFVXCHAGIM-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166548 783011278 /nfs/dbraw/zinc/01/12/78/783011278.db2.gz HBFVOFVXCHAGIM-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166548 783011287 /nfs/dbraw/zinc/01/12/87/783011287.db2.gz HBFVOFVXCHAGIM-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC000980083031 773839294 /nfs/dbraw/zinc/83/92/94/773839294.db2.gz GWOJLFWAXUZKIM-ULQDDVLXSA-N 2 1 336.439 2.106 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980165981 773991250 /nfs/dbraw/zinc/99/12/50/773991250.db2.gz VTDJZLQNZQIPSA-UAGQMJEPSA-N 2 1 331.460 2.358 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980179957 774012716 /nfs/dbraw/zinc/01/27/16/774012716.db2.gz UFMABIGHKCYHCL-ULQDDVLXSA-N 2 1 339.911 2.297 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001089658931 774056592 /nfs/dbraw/zinc/05/65/92/774056592.db2.gz PSZYJFRWIRZSDD-IAGOWNOFSA-N 2 1 342.487 2.076 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664272 774080916 /nfs/dbraw/zinc/08/09/16/774080916.db2.gz HFUKGTSBRBRWSK-KRWDZBQOSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664272 774080918 /nfs/dbraw/zinc/08/09/18/774080918.db2.gz HFUKGTSBRBRWSK-KRWDZBQOSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC000980236218 774139078 /nfs/dbraw/zinc/13/90/78/774139078.db2.gz BXJXSHHKPWLAOX-KSZLIROESA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980236218 774139081 /nfs/dbraw/zinc/13/90/81/774139081.db2.gz BXJXSHHKPWLAOX-KSZLIROESA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980236218 774139082 /nfs/dbraw/zinc/13/90/82/774139082.db2.gz BXJXSHHKPWLAOX-KSZLIROESA-N 2 1 330.476 2.374 20 30 EEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997613191 790445394 /nfs/dbraw/zinc/44/53/94/790445394.db2.gz FPNKAQRKYRFGHM-HKUYNNGSSA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(C)CC[NH+]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000981211488 776827615 /nfs/dbraw/zinc/82/76/15/776827615.db2.gz XCFMHQIODMJTNQ-SFHVURJKSA-N 2 1 345.491 2.291 20 30 EEEDMP C=C(C)CC[NH+]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000981211488 776827625 /nfs/dbraw/zinc/82/76/25/776827625.db2.gz XCFMHQIODMJTNQ-SFHVURJKSA-N 2 1 345.491 2.291 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000981211488 776827633 /nfs/dbraw/zinc/82/76/33/776827633.db2.gz XCFMHQIODMJTNQ-SFHVURJKSA-N 2 1 345.491 2.291 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000981211488 776827646 /nfs/dbraw/zinc/82/76/46/776827646.db2.gz XCFMHQIODMJTNQ-SFHVURJKSA-N 2 1 345.491 2.291 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089831991 777327501 /nfs/dbraw/zinc/32/75/01/777327501.db2.gz PWZFSDLNRPTNJF-RDGPPVDQSA-N 2 1 343.515 2.360 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1occc1C[NH+](C)C ZINC001089856660 778344234 /nfs/dbraw/zinc/34/42/34/778344234.db2.gz ULSNNUHKEUBUNM-RANZSIQMSA-N 2 1 343.471 2.310 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000981954031 778653568 /nfs/dbraw/zinc/65/35/68/778653568.db2.gz WJOUNDGIQSGSRT-QGZVFWFLSA-N 2 1 340.471 2.077 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000981954031 778653570 /nfs/dbraw/zinc/65/35/70/778653570.db2.gz WJOUNDGIQSGSRT-QGZVFWFLSA-N 2 1 340.471 2.077 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000981954031 778653571 /nfs/dbraw/zinc/65/35/71/778653571.db2.gz WJOUNDGIQSGSRT-QGZVFWFLSA-N 2 1 340.471 2.077 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000981954031 778653574 /nfs/dbraw/zinc/65/35/74/778653574.db2.gz WJOUNDGIQSGSRT-QGZVFWFLSA-N 2 1 340.471 2.077 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCCC)C[C@]2(C)C1 ZINC000982298967 779623430 /nfs/dbraw/zinc/62/34/30/779623430.db2.gz SRDDMVMCFAXCKI-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCCC)C[C@]2(C)C1 ZINC000982298967 779623440 /nfs/dbraw/zinc/62/34/40/779623440.db2.gz SRDDMVMCFAXCKI-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCCC)C[C@]2(C)C1 ZINC000982298967 779623446 /nfs/dbraw/zinc/62/34/46/779623446.db2.gz SRDDMVMCFAXCKI-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCCC)C[C@]2(C)C1 ZINC000982298967 779623449 /nfs/dbraw/zinc/62/34/49/779623449.db2.gz SRDDMVMCFAXCKI-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCCC)C[C@]2(C)C1 ZINC000982298967 779623454 /nfs/dbraw/zinc/62/34/54/779623454.db2.gz SRDDMVMCFAXCKI-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946784371 783281196 /nfs/dbraw/zinc/28/11/96/783281196.db2.gz HWZIXDMUEVIKGW-XHSDSOJGSA-N 2 1 327.900 2.250 20 30 EEEDMP C[N@@H+](CCC(=O)NCC[NH2+]Cc1ccccc1C#N)C1CCCCC1 ZINC001131815630 783298521 /nfs/dbraw/zinc/29/85/21/783298521.db2.gz MLSMCSXDEGXDBG-UHFFFAOYSA-N 2 1 342.487 2.419 20 30 EEEDMP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471130 783825239 /nfs/dbraw/zinc/82/52/39/783825239.db2.gz HICQUFNLCZNFBW-GJZGRUSLSA-N 2 1 334.464 2.333 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244896 784178242 /nfs/dbraw/zinc/17/82/42/784178242.db2.gz WHRDMFWNMZSTLO-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135860821 784649625 /nfs/dbraw/zinc/64/96/25/784649625.db2.gz HYODXRBGQZRYMS-JKSUJKDBSA-N 2 1 330.476 2.273 20 30 EEEDMP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083179383 784692513 /nfs/dbraw/zinc/69/25/13/784692513.db2.gz TUCGZDGDUHZNCN-OAHLLOKOSA-N 2 1 343.450 2.251 20 30 EEEDMP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083179383 784692525 /nfs/dbraw/zinc/69/25/25/784692525.db2.gz TUCGZDGDUHZNCN-OAHLLOKOSA-N 2 1 343.450 2.251 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135974408 784919994 /nfs/dbraw/zinc/91/99/94/784919994.db2.gz ORZXYMZITPZJOD-KGLIPLIRSA-N 2 1 348.329 2.500 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CC2 ZINC001035778535 785163393 /nfs/dbraw/zinc/16/33/93/785163393.db2.gz HUOODBZGOICQDX-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](C/C=C/Cl)C3)CC2)CC1 ZINC001035857576 785298821 /nfs/dbraw/zinc/29/88/21/785298821.db2.gz WOVBOTANSOITLA-FPYGCLRLSA-N 2 1 349.906 2.009 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1(C)C ZINC000995850983 785766483 /nfs/dbraw/zinc/76/64/83/785766483.db2.gz WQUXALACCYDTJK-SJORKVTESA-N 2 1 345.491 2.193 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1(C)C ZINC000995850983 785766487 /nfs/dbraw/zinc/76/64/87/785766487.db2.gz WQUXALACCYDTJK-SJORKVTESA-N 2 1 345.491 2.193 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109646194 805820354 /nfs/dbraw/zinc/82/03/54/805820354.db2.gz MOHIPPJLQDZOSX-NBMJBFSESA-N 2 1 342.487 2.442 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109646194 805820363 /nfs/dbraw/zinc/82/03/63/805820363.db2.gz MOHIPPJLQDZOSX-NBMJBFSESA-N 2 1 342.487 2.442 20 30 EEEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997034537 788526062 /nfs/dbraw/zinc/52/60/62/788526062.db2.gz QDIBWOORRIMNHW-MOPGFXCFSA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946856360 788795898 /nfs/dbraw/zinc/79/58/98/788795898.db2.gz HIZCDBPRHXQRRT-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856360 788795902 /nfs/dbraw/zinc/79/59/02/788795902.db2.gz HIZCDBPRHXQRRT-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856360 788795906 /nfs/dbraw/zinc/79/59/06/788795906.db2.gz HIZCDBPRHXQRRT-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098842135 789606239 /nfs/dbraw/zinc/60/62/39/789606239.db2.gz XSTDYRDECXQOEL-NSHGMRRFSA-N 2 1 331.504 2.265 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798769 805989440 /nfs/dbraw/zinc/98/94/40/805989440.db2.gz RJDXZASGKZHFBY-XWSJACJDSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798769 805989444 /nfs/dbraw/zinc/98/94/44/805989444.db2.gz RJDXZASGKZHFBY-XWSJACJDSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798769 805989448 /nfs/dbraw/zinc/98/94/48/805989448.db2.gz RJDXZASGKZHFBY-XWSJACJDSA-N 2 1 349.519 2.173 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923586200 789828483 /nfs/dbraw/zinc/82/84/83/789828483.db2.gz ZPJHSDDYJAAISW-FQEVSTJZSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923586200 789828490 /nfs/dbraw/zinc/82/84/90/789828490.db2.gz ZPJHSDDYJAAISW-FQEVSTJZSA-N 2 1 339.483 2.112 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146334466 791179038 /nfs/dbraw/zinc/17/90/38/791179038.db2.gz XOMQAOIAYXAVGM-STQMWFEESA-N 2 1 345.472 2.198 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843549 806066408 /nfs/dbraw/zinc/06/64/08/806066408.db2.gz PTYYWJJXNXBCSQ-QYZOEREBSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843549 806066414 /nfs/dbraw/zinc/06/64/14/806066414.db2.gz PTYYWJJXNXBCSQ-QYZOEREBSA-N 2 1 349.519 2.177 20 30 EEEDMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001147359118 791799656 /nfs/dbraw/zinc/79/96/56/791799656.db2.gz LLYVFTCHGMSIQV-LJQANCHMSA-N 2 1 342.487 2.419 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737536 792597809 /nfs/dbraw/zinc/59/78/09/792597809.db2.gz MTRBDMGOQBRLJM-HBFSDRIKSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737536 792597814 /nfs/dbraw/zinc/59/78/14/792597814.db2.gz MTRBDMGOQBRLJM-HBFSDRIKSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737536 792597822 /nfs/dbraw/zinc/59/78/22/792597822.db2.gz MTRBDMGOQBRLJM-HBFSDRIKSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738482 792600393 /nfs/dbraw/zinc/60/03/93/792600393.db2.gz ZWCKZZOLUJACRP-POAQFYNOSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738482 792600394 /nfs/dbraw/zinc/60/03/94/792600394.db2.gz ZWCKZZOLUJACRP-POAQFYNOSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738482 792600395 /nfs/dbraw/zinc/60/03/95/792600395.db2.gz ZWCKZZOLUJACRP-POAQFYNOSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001086926661 793004874 /nfs/dbraw/zinc/00/48/74/793004874.db2.gz GLIVLPTULIQCCK-SJORKVTESA-N 2 1 340.471 2.097 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071102 793534286 /nfs/dbraw/zinc/53/42/86/793534286.db2.gz GBQAJCDJVMBVMP-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001093243664 794861806 /nfs/dbraw/zinc/86/18/06/794861806.db2.gz PNXISDWSPKMPPE-IAGOWNOFSA-N 2 1 345.487 2.442 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036802224 795080156 /nfs/dbraw/zinc/08/01/56/795080156.db2.gz ZYRFQOOBQYPSHW-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036802224 795080159 /nfs/dbraw/zinc/08/01/59/795080159.db2.gz ZYRFQOOBQYPSHW-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001093363286 795090166 /nfs/dbraw/zinc/09/01/66/795090166.db2.gz YMNDYCLLPRKKTM-MSOLQXFVSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093363286 795090170 /nfs/dbraw/zinc/09/01/70/795090170.db2.gz YMNDYCLLPRKKTM-MSOLQXFVSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093363286 795090176 /nfs/dbraw/zinc/09/01/76/795090176.db2.gz YMNDYCLLPRKKTM-MSOLQXFVSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249277 795288377 /nfs/dbraw/zinc/28/83/77/795288377.db2.gz FMXVQVFSDUUZNH-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834407 795339291 /nfs/dbraw/zinc/33/92/91/795339291.db2.gz JNNNWWOMZVTRIO-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834407 795339300 /nfs/dbraw/zinc/33/93/00/795339300.db2.gz JNNNWWOMZVTRIO-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106434727 795588018 /nfs/dbraw/zinc/58/80/18/795588018.db2.gz FZUOKQGHYYHTAG-HZPDHXFCSA-N 2 1 330.476 2.022 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC001094582589 796423282 /nfs/dbraw/zinc/42/32/82/796423282.db2.gz RXVIBWNRKXDHSV-TZIWHRDSSA-N 2 1 339.483 2.356 20 30 EEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001112546045 806509050 /nfs/dbraw/zinc/50/90/50/806509050.db2.gz QQFQBVRCQSPDAS-HKUYNNGSSA-N 2 1 330.476 2.376 20 30 EEEDMP C[C@@H]1C[C@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC001171735137 796732935 /nfs/dbraw/zinc/73/29/35/796732935.db2.gz SVMPVQMRXLORLK-KDOFPFPSSA-N 2 1 336.439 2.154 20 30 EEEDMP C[C@@H]1C[C@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC001171735137 796732936 /nfs/dbraw/zinc/73/29/36/796732936.db2.gz SVMPVQMRXLORLK-KDOFPFPSSA-N 2 1 336.439 2.154 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](OC)C1 ZINC001082392281 797492031 /nfs/dbraw/zinc/49/20/31/797492031.db2.gz AOFKUPGWFHEQOO-SJLPKXTDSA-N 2 1 349.475 2.127 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](OC)C1 ZINC001082392281 797492036 /nfs/dbraw/zinc/49/20/36/797492036.db2.gz AOFKUPGWFHEQOO-SJLPKXTDSA-N 2 1 349.475 2.127 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089391420 798330110 /nfs/dbraw/zinc/33/01/10/798330110.db2.gz LTYZGOYFADGMPC-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089391420 798330116 /nfs/dbraw/zinc/33/01/16/798330116.db2.gz LTYZGOYFADGMPC-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089391420 798330122 /nfs/dbraw/zinc/33/01/22/798330122.db2.gz LTYZGOYFADGMPC-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC[C@@H](C)F)[C@H]3C2)CC1 ZINC001085100537 798674283 /nfs/dbraw/zinc/67/42/83/798674283.db2.gz KUACDCLVQUZJIA-LMMKCTJWSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C[C@H](C)CC)[C@H]3C2)CC1 ZINC001085100681 798674337 /nfs/dbraw/zinc/67/43/37/798674337.db2.gz WSQOFCXCPIZTIH-GGPKGHCWSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001177157009 798779983 /nfs/dbraw/zinc/77/99/83/798779983.db2.gz PNVVAUSBEDGDJC-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001177157009 798779986 /nfs/dbraw/zinc/77/99/86/798779986.db2.gz PNVVAUSBEDGDJC-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001177316695 798856056 /nfs/dbraw/zinc/85/60/56/798856056.db2.gz FWJRRQXQSZHBDE-LJQANCHMSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001177335406 798869122 /nfs/dbraw/zinc/86/91/22/798869122.db2.gz AXVWOMWRTSBZCX-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001112586082 806698219 /nfs/dbraw/zinc/69/82/19/806698219.db2.gz GMGGZGGZBJXWIP-ZJOUEHCJSA-N 2 1 339.483 2.141 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003624676 799905808 /nfs/dbraw/zinc/90/58/08/799905808.db2.gz UKFNPRYUJXOBRQ-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003624676 799905812 /nfs/dbraw/zinc/90/58/12/799905812.db2.gz UKFNPRYUJXOBRQ-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001003626616 799909088 /nfs/dbraw/zinc/90/90/88/799909088.db2.gz SLDXHZCSKLZKDZ-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001003626616 799909094 /nfs/dbraw/zinc/90/90/94/799909094.db2.gz SLDXHZCSKLZKDZ-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085333157 800373634 /nfs/dbraw/zinc/37/36/34/800373634.db2.gz CMGLVUYIETWDQP-CGTJXYLNSA-N 2 1 330.476 2.347 20 30 EEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181728910 800882410 /nfs/dbraw/zinc/88/24/10/800882410.db2.gz UFNFYQXHCKVPLH-JTDSTZFVSA-N 2 1 330.476 2.411 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081203 801500890 /nfs/dbraw/zinc/50/08/90/801500890.db2.gz FZXPOPKJQAUTND-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033081203 801500897 /nfs/dbraw/zinc/50/08/97/801500897.db2.gz FZXPOPKJQAUTND-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033081203 801500901 /nfs/dbraw/zinc/50/09/01/801500901.db2.gz FZXPOPKJQAUTND-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001004444835 802057777 /nfs/dbraw/zinc/05/77/77/802057777.db2.gz BMDHMOASKALZCA-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004444835 802057780 /nfs/dbraw/zinc/05/77/80/802057780.db2.gz BMDHMOASKALZCA-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001004444835 802057786 /nfs/dbraw/zinc/05/77/86/802057786.db2.gz BMDHMOASKALZCA-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001184822746 802210231 /nfs/dbraw/zinc/21/02/31/802210231.db2.gz VVDQHKVKZUWCPZ-DLBZAZTESA-N 2 1 344.503 2.412 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086132715 802258089 /nfs/dbraw/zinc/25/80/89/802258089.db2.gz CKELADGTRBTSEA-OWCLPIDISA-N 2 1 327.900 2.344 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001004525385 802295458 /nfs/dbraw/zinc/29/54/58/802295458.db2.gz GDVDKCWMSZRMLI-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001004525385 802295462 /nfs/dbraw/zinc/29/54/62/802295462.db2.gz GDVDKCWMSZRMLI-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001004525385 802295467 /nfs/dbraw/zinc/29/54/67/802295467.db2.gz GDVDKCWMSZRMLI-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]2CC1 ZINC000946628180 802367869 /nfs/dbraw/zinc/36/78/69/802367869.db2.gz KKWNHPSIIAUJDI-YTBJJFHHSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C/C=C/Cl)C[C@H]2CC1 ZINC000946628180 802367878 /nfs/dbraw/zinc/36/78/78/802367878.db2.gz KKWNHPSIIAUJDI-YTBJJFHHSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]2CC1 ZINC000946628180 802367883 /nfs/dbraw/zinc/36/78/83/802367883.db2.gz KKWNHPSIIAUJDI-YTBJJFHHSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C/C=C/Cl)C[C@H]2CC1 ZINC000946628180 802367888 /nfs/dbraw/zinc/36/78/88/802367888.db2.gz KKWNHPSIIAUJDI-YTBJJFHHSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C/C=C/Cl)C[C@H]2CC1 ZINC000946628180 802367895 /nfs/dbraw/zinc/36/78/95/802367895.db2.gz KKWNHPSIIAUJDI-YTBJJFHHSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004595020 802448062 /nfs/dbraw/zinc/44/80/62/802448062.db2.gz DZOSKDYUFKTZSF-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595020 802448068 /nfs/dbraw/zinc/44/80/68/802448068.db2.gz DZOSKDYUFKTZSF-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595020 802448072 /nfs/dbraw/zinc/44/80/72/802448072.db2.gz DZOSKDYUFKTZSF-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086456134 803004861 /nfs/dbraw/zinc/00/48/61/803004861.db2.gz SBLGSIAPNXDUFZ-JYJNAYRXSA-N 2 1 327.900 2.345 20 30 EEEDMP N#Cc1ccc(CNc2cc[nH+]c(N3CCC([NH3+])CC3)n2)cc1F ZINC001170090407 807709457 /nfs/dbraw/zinc/70/94/57/807709457.db2.gz BUJOFRVTGZKGCP-UHFFFAOYSA-N 2 1 326.379 2.027 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607344 809734055 /nfs/dbraw/zinc/73/40/55/809734055.db2.gz WDADPCSHAJZZGV-VQTJNVASSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C(C)C ZINC001129770534 810994681 /nfs/dbraw/zinc/99/46/81/810994681.db2.gz HNFMEQYAVOCXKR-IBGZPJMESA-N 2 1 327.472 2.113 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C(C)C ZINC001129770534 810994687 /nfs/dbraw/zinc/99/46/87/810994687.db2.gz HNFMEQYAVOCXKR-IBGZPJMESA-N 2 1 327.472 2.113 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001449402360 1094383451 /nfs/dbraw/zinc/38/34/51/1094383451.db2.gz NHAVPDKMPZIIKW-UHFFFAOYSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001441763429 1095763244 /nfs/dbraw/zinc/76/32/44/1095763244.db2.gz ZHVREFYOSHRKTD-UHFFFAOYSA-N 2 1 342.487 2.417 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000072811329 216310188 /nfs/dbraw/zinc/31/01/88/216310188.db2.gz HOITWMIOTNHACO-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248124429 160338140 /nfs/dbraw/zinc/33/81/40/160338140.db2.gz NTPWYRLOHYCAKG-IAGOWNOFSA-N 2 1 329.444 2.362 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248124429 160338141 /nfs/dbraw/zinc/33/81/41/160338141.db2.gz NTPWYRLOHYCAKG-IAGOWNOFSA-N 2 1 329.444 2.362 20 30 EEEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248124429 160338142 /nfs/dbraw/zinc/33/81/42/160338142.db2.gz NTPWYRLOHYCAKG-IAGOWNOFSA-N 2 1 329.444 2.362 20 30 EEEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248124429 160338143 /nfs/dbraw/zinc/33/81/43/160338143.db2.gz NTPWYRLOHYCAKG-IAGOWNOFSA-N 2 1 329.444 2.362 20 30 EEEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580791036 324130226 /nfs/dbraw/zinc/13/02/26/324130226.db2.gz WWCVUOBNGKBJDA-HNNXBMFYSA-N 2 1 326.448 2.203 20 30 EEEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156403011 463019208 /nfs/dbraw/zinc/01/92/08/463019208.db2.gz VEELVFMALQKKHX-KDOFPFPSSA-N 2 1 336.395 2.434 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)C(C)C ZINC000159651290 463297267 /nfs/dbraw/zinc/29/72/67/463297267.db2.gz YJNCQZDCVBDFKW-GOSISDBHSA-N 2 1 336.524 2.422 20 30 EEEDMP Cn1ccnc1C[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000123812333 463370770 /nfs/dbraw/zinc/37/07/70/463370770.db2.gz DHIDDWDAMZAVRF-MRXNPFEDSA-N 2 1 343.475 2.017 20 30 EEEDMP CN(CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152386130 463683253 /nfs/dbraw/zinc/68/32/53/463683253.db2.gz NDVWLNJATVKTQW-CYBMUJFWSA-N 2 1 334.851 2.424 20 30 EEEDMP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263798768 464196078 /nfs/dbraw/zinc/19/60/78/464196078.db2.gz ZZCXCRCCISCPSL-HDICACEKSA-N 2 1 349.519 2.008 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000579704450 468399111 /nfs/dbraw/zinc/39/91/11/468399111.db2.gz ACDBFRKHWJRJGX-QFBILLFUSA-N 2 1 330.472 2.395 20 30 EEEDMP COc1ccc(CCNC(=[NH2+])NCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000264075656 464279608 /nfs/dbraw/zinc/27/96/08/464279608.db2.gz FRBLKMNWDKRMAK-OAHLLOKOSA-N 2 1 348.491 2.025 20 30 EEEDMP CCN(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccco1 ZINC000264068178 464279636 /nfs/dbraw/zinc/27/96/36/464279636.db2.gz BZVPPYSDEMCPJI-JKSUJKDBSA-N 2 1 335.496 2.051 20 30 EEEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292937293 464377882 /nfs/dbraw/zinc/37/78/82/464377882.db2.gz JNQZOAJCXKDVAE-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292937293 464377887 /nfs/dbraw/zinc/37/78/87/464377887.db2.gz JNQZOAJCXKDVAE-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292937293 464377890 /nfs/dbraw/zinc/37/78/90/464377890.db2.gz JNQZOAJCXKDVAE-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCCCC1 ZINC000190536538 464670371 /nfs/dbraw/zinc/67/03/71/464670371.db2.gz VTEVYWBPXJJREJ-SFHVURJKSA-N 2 1 330.476 2.078 20 30 EEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000516085517 468012340 /nfs/dbraw/zinc/01/23/40/468012340.db2.gz KSXGEBCSRBNGTJ-UHFFFAOYSA-N 2 1 342.487 2.180 20 30 EEEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000598725675 468974460 /nfs/dbraw/zinc/97/44/60/468974460.db2.gz YYGDGPHIIRRSQV-RTBURBONSA-N 2 1 345.487 2.168 20 30 EEEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000598725675 468974463 /nfs/dbraw/zinc/97/44/63/468974463.db2.gz YYGDGPHIIRRSQV-RTBURBONSA-N 2 1 345.487 2.168 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168021208 782133847 /nfs/dbraw/zinc/13/38/47/782133847.db2.gz CJUFPXJPCBVXMV-ZIAGYGMSSA-N 2 1 344.297 2.008 20 30 EEEDMP C#CCCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365287549 526678380 /nfs/dbraw/zinc/67/83/80/526678380.db2.gz GAIANRVHFFELQM-UHFFFAOYSA-N 2 1 333.520 2.445 20 30 EEEDMP CCC(=[NH+]NC(=S)NCCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000759195692 577638828 /nfs/dbraw/zinc/63/88/28/577638828.db2.gz HEJRDBZGDUXULY-UHFFFAOYSA-N 2 1 335.521 2.283 20 30 EEEDMP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1C#N ZINC000742370652 577872063 /nfs/dbraw/zinc/87/20/63/577872063.db2.gz HBQQIQGSVNPWRR-GOSISDBHSA-N 2 1 329.444 2.300 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118914 674595009 /nfs/dbraw/zinc/59/50/09/674595009.db2.gz ZSLDMHNPMUVGTA-INIZCTEOSA-N 2 1 328.460 2.145 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000969866458 675268176 /nfs/dbraw/zinc/26/81/76/675268176.db2.gz WNGCZJOPFDPDHO-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000969866458 675268179 /nfs/dbraw/zinc/26/81/79/675268179.db2.gz WNGCZJOPFDPDHO-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706549 676366722 /nfs/dbraw/zinc/36/67/22/676366722.db2.gz LSUMNIGWGIDXEV-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC000971784489 676790008 /nfs/dbraw/zinc/79/00/08/676790008.db2.gz KATPSAMDRLWKOT-SJLPKXTDSA-N 2 1 346.450 2.070 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC000971784489 676790009 /nfs/dbraw/zinc/79/00/09/676790009.db2.gz KATPSAMDRLWKOT-SJLPKXTDSA-N 2 1 346.450 2.070 20 30 EEEDMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCSCC1 ZINC000261983707 676891796 /nfs/dbraw/zinc/89/17/96/676891796.db2.gz JEKRNILUIFCHHH-CQSZACIVSA-N 2 1 338.546 2.324 20 30 EEEDMP CC[NH+]=C(NCc1ccc2c(c1)COC2)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261998902 677802745 /nfs/dbraw/zinc/80/27/45/677802745.db2.gz SZSDCNXAURUSCX-IFXJQAMLSA-N 2 1 342.487 2.255 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972419159 678714264 /nfs/dbraw/zinc/71/42/64/678714264.db2.gz BOXLPZFRSALPNW-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000972419159 678714266 /nfs/dbraw/zinc/71/42/66/678714266.db2.gz BOXLPZFRSALPNW-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000972419159 678714268 /nfs/dbraw/zinc/71/42/68/678714268.db2.gz BOXLPZFRSALPNW-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001024811862 681463696 /nfs/dbraw/zinc/46/36/96/681463696.db2.gz CFYWSLCHWSSLFO-AEFFLSMTSA-N 2 1 337.483 2.050 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001025279438 682388388 /nfs/dbraw/zinc/38/83/88/682388388.db2.gz BQLHADYJQVNING-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453372 682794022 /nfs/dbraw/zinc/79/40/22/682794022.db2.gz QSHNQEHOVKURCU-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001026368344 684462393 /nfs/dbraw/zinc/46/23/93/684462393.db2.gz OEZZBCTZFDFDGS-YESZJQIVSA-N 2 1 330.476 2.409 20 30 EEEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974950169 685778066 /nfs/dbraw/zinc/77/80/66/685778066.db2.gz VRLTUXJWRFOSCD-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974950169 685778073 /nfs/dbraw/zinc/77/80/73/685778073.db2.gz VRLTUXJWRFOSCD-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974950169 685778080 /nfs/dbraw/zinc/77/80/80/685778080.db2.gz VRLTUXJWRFOSCD-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974950169 685778086 /nfs/dbraw/zinc/77/80/86/685778086.db2.gz VRLTUXJWRFOSCD-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977335679 692478144 /nfs/dbraw/zinc/47/81/44/692478144.db2.gz MYIQKHGUPPWTKK-SFHVURJKSA-N 2 1 327.472 2.212 20 30 EEEDMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001481780120 1182683491 /nfs/dbraw/zinc/68/34/91/1182683491.db2.gz ZFQZUPVCXJDUKA-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001481780120 1182683497 /nfs/dbraw/zinc/68/34/97/1182683497.db2.gz ZFQZUPVCXJDUKA-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001481780120 1182683503 /nfs/dbraw/zinc/68/35/03/1182683503.db2.gz ZFQZUPVCXJDUKA-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001481780120 1182683510 /nfs/dbraw/zinc/68/35/10/1182683510.db2.gz ZFQZUPVCXJDUKA-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001105438333 1187117810 /nfs/dbraw/zinc/11/78/10/1187117810.db2.gz DKTDAMVADKNJHC-HFSMHLIXSA-N 2 1 341.499 2.320 20 30 EEEDMP C=C(C)CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001105487198 1188103661 /nfs/dbraw/zinc/10/36/61/1188103661.db2.gz URJAQGFDZAGEFM-PGYGNJIDSA-N 2 1 349.519 2.034 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001203431649 1188298697 /nfs/dbraw/zinc/29/86/97/1188298697.db2.gz ODWUDJRMKSSTPU-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C[N@@H+](CC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001484047175 1191178155 /nfs/dbraw/zinc/17/81/55/1191178155.db2.gz IHMKKSTYKOOJLT-FQEVSTJZSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001484047175 1191178156 /nfs/dbraw/zinc/17/81/56/1191178156.db2.gz IHMKKSTYKOOJLT-FQEVSTJZSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001484047175 1191178158 /nfs/dbraw/zinc/17/81/58/1191178158.db2.gz IHMKKSTYKOOJLT-FQEVSTJZSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCN1C(=O)C[C@@]2(CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001273128149 1194411448 /nfs/dbraw/zinc/41/14/48/1194411448.db2.gz PBMCORZYXLIRRP-HXUWFJFHSA-N 2 1 347.503 2.136 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960101 1195556620 /nfs/dbraw/zinc/55/66/20/1195556620.db2.gz YAVIZISHLNKJFB-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960101 1195556624 /nfs/dbraw/zinc/55/66/24/1195556624.db2.gz YAVIZISHLNKJFB-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001034786653 1196721557 /nfs/dbraw/zinc/72/15/57/1196721557.db2.gz PTXCLEGXKNHOAJ-ZOBUZTSGSA-N 2 1 325.884 2.242 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132173532 1199388143 /nfs/dbraw/zinc/38/81/43/1199388143.db2.gz NMEWJNZOYPBHQB-DOTOQJQBSA-N 2 1 342.443 2.120 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001132269136 1199508334 /nfs/dbraw/zinc/50/83/34/1199508334.db2.gz FVUXIDFAXCRQRI-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170749972 1199559545 /nfs/dbraw/zinc/55/95/45/1199559545.db2.gz FEOXTDRKOQQYLM-MSOLQXFVSA-N 2 1 339.524 2.326 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132331150 1199578094 /nfs/dbraw/zinc/57/80/94/1199578094.db2.gz LVVHGTIABFZBAH-SJORKVTESA-N 2 1 348.491 2.178 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132331150 1199578096 /nfs/dbraw/zinc/57/80/96/1199578096.db2.gz LVVHGTIABFZBAH-SJORKVTESA-N 2 1 348.491 2.178 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132409533 1199676679 /nfs/dbraw/zinc/67/66/79/1199676679.db2.gz AOVXCHFJZYITJL-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132409533 1199676682 /nfs/dbraw/zinc/67/66/82/1199676682.db2.gz AOVXCHFJZYITJL-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132409533 1199676685 /nfs/dbraw/zinc/67/66/85/1199676685.db2.gz AOVXCHFJZYITJL-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP N#Cc1ccc(CC[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001274914276 1205207226 /nfs/dbraw/zinc/20/72/26/1205207226.db2.gz QJATXMUQHCYJBQ-UHFFFAOYSA-N 2 1 335.455 2.422 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000930980149 1206597121 /nfs/dbraw/zinc/59/71/21/1206597121.db2.gz UAIBXIVPHDJEKJ-LJQANCHMSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001111169293 1208312119 /nfs/dbraw/zinc/31/21/19/1208312119.db2.gz MEYMCLLWEJUPOI-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001111169293 1208312121 /nfs/dbraw/zinc/31/21/21/1208312121.db2.gz MEYMCLLWEJUPOI-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000948705645 1209312481 /nfs/dbraw/zinc/31/24/81/1209312481.db2.gz ITKFANPRFOSWKE-MJGOQNOKSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948716745 1209321486 /nfs/dbraw/zinc/32/14/86/1209321486.db2.gz DWGMEKJHJKDEJP-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948716745 1209321488 /nfs/dbraw/zinc/32/14/88/1209321488.db2.gz DWGMEKJHJKDEJP-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)[NH+]1CCCC1 ZINC000303774050 1213904139 /nfs/dbraw/zinc/90/41/39/1213904139.db2.gz FTBKUIKFGWPCLN-QZTJIDSGSA-N 3 1 337.556 2.276 20 30 EEEDMP CCCC(=O)Nc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000303879972 1213917144 /nfs/dbraw/zinc/91/71/44/1213917144.db2.gz GVIGUXJRUJZHFI-KRWDZBQOSA-N 2 1 345.491 2.314 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)cc1 ZINC000304677805 1216083891 /nfs/dbraw/zinc/08/38/91/1216083891.db2.gz DIOKVVLETRTNOJ-AWEZNQCLSA-N 2 1 339.281 2.338 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000960305143 1216483424 /nfs/dbraw/zinc/48/34/24/1216483424.db2.gz SUXRRRZTHDEFNR-XFQXTVEOSA-N 2 1 327.472 2.419 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410407 1217179470 /nfs/dbraw/zinc/17/94/70/1217179470.db2.gz HNKARFUJIZGFIM-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410407 1217179472 /nfs/dbraw/zinc/17/94/72/1217179472.db2.gz HNKARFUJIZGFIM-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410407 1217179474 /nfs/dbraw/zinc/17/94/74/1217179474.db2.gz HNKARFUJIZGFIM-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337105 1217531829 /nfs/dbraw/zinc/53/18/29/1217531829.db2.gz KTOCKEANZWYYQJ-ZWKOTPCHSA-N 2 1 342.487 2.079 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963368400 1217565178 /nfs/dbraw/zinc/56/51/78/1217565178.db2.gz WFWOVJDAPGKKNN-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383289 1217580047 /nfs/dbraw/zinc/58/00/47/1217580047.db2.gz MXDXPQIZFXASAQ-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000963809207 1218050527 /nfs/dbraw/zinc/05/05/27/1218050527.db2.gz XMQAUJQLPJPPBZ-KZYAKZRFSA-N 2 1 343.515 2.291 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968954864 1221699346 /nfs/dbraw/zinc/69/93/46/1221699346.db2.gz WJVHLMYSVJACOK-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968954864 1221699354 /nfs/dbraw/zinc/69/93/54/1221699354.db2.gz WJVHLMYSVJACOK-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC000968956268 1221700439 /nfs/dbraw/zinc/70/04/39/1221700439.db2.gz HIFIIBPXSDPYLO-AQNXPRMDSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC000968956268 1221700441 /nfs/dbraw/zinc/70/04/41/1221700441.db2.gz HIFIIBPXSDPYLO-AQNXPRMDSA-N 2 1 339.483 2.426 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016663464 1226747355 /nfs/dbraw/zinc/74/73/55/1226747355.db2.gz RQXFPOHVNRFSSZ-MOPGFXCFSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(=C)C)CC2 ZINC001016670343 1226757145 /nfs/dbraw/zinc/75/71/45/1226757145.db2.gz QQLODEADHQSYID-ROUUACIJSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(=C)C)CC2 ZINC001016670343 1226757150 /nfs/dbraw/zinc/75/71/50/1226757150.db2.gz QQLODEADHQSYID-ROUUACIJSA-N 2 1 329.488 2.021 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001016930987 1226978532 /nfs/dbraw/zinc/97/85/32/1226978532.db2.gz OLMSXPSTSHEBFH-CABCVRRESA-N 2 1 325.884 2.051 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039155329 1230375838 /nfs/dbraw/zinc/37/58/38/1230375838.db2.gz QIEGWTRLXIATAS-LJQANCHMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001039406111 1230588119 /nfs/dbraw/zinc/58/81/19/1230588119.db2.gz ZLCHGYZHQHXECL-SJORKVTESA-N 2 1 342.487 2.403 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001039406111 1230588125 /nfs/dbraw/zinc/58/81/25/1230588125.db2.gz ZLCHGYZHQHXECL-SJORKVTESA-N 2 1 342.487 2.403 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040705774 1231342917 /nfs/dbraw/zinc/34/29/17/1231342917.db2.gz KHVYHFRXXDIFPD-HZPDHXFCSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)CC)CC2 ZINC001040732271 1231351955 /nfs/dbraw/zinc/35/19/55/1231351955.db2.gz ZOHBWGNGUAHVGF-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)CC)CC2 ZINC001040732271 1231351958 /nfs/dbraw/zinc/35/19/58/1231351958.db2.gz ZOHBWGNGUAHVGF-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041357422 1231518600 /nfs/dbraw/zinc/51/86/00/1231518600.db2.gz HHYXRFJUQQOSPE-TZIWHRDSSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357422 1231518602 /nfs/dbraw/zinc/51/86/02/1231518602.db2.gz HHYXRFJUQQOSPE-TZIWHRDSSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357422 1231518603 /nfs/dbraw/zinc/51/86/03/1231518603.db2.gz HHYXRFJUQQOSPE-TZIWHRDSSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041422418 1231540701 /nfs/dbraw/zinc/54/07/01/1231540701.db2.gz NUDQNZADKNAXCQ-FQEVSTJZSA-N 2 1 336.439 2.204 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041607677 1231622039 /nfs/dbraw/zinc/62/20/39/1231622039.db2.gz ZNITVZPHIRJAQW-LJQANCHMSA-N 2 1 331.460 2.455 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845924 1231728696 /nfs/dbraw/zinc/72/86/96/1231728696.db2.gz RVXLSXJXFGDVOM-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042124441 1231905243 /nfs/dbraw/zinc/90/52/43/1231905243.db2.gz GGRCEWHGOUZEGS-SJLPKXTDSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042124441 1231905246 /nfs/dbraw/zinc/90/52/46/1231905246.db2.gz GGRCEWHGOUZEGS-SJLPKXTDSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042124441 1231905248 /nfs/dbraw/zinc/90/52/48/1231905248.db2.gz GGRCEWHGOUZEGS-SJLPKXTDSA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC001042157583 1231925502 /nfs/dbraw/zinc/92/55/02/1231925502.db2.gz SERSPXWDXCMTSG-VQIMIIECSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC001042157583 1231925504 /nfs/dbraw/zinc/92/55/04/1231925504.db2.gz SERSPXWDXCMTSG-VQIMIIECSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042316735 1232024489 /nfs/dbraw/zinc/02/44/89/1232024489.db2.gz RTGKNPVBOXMZCV-MAUKXSAKSA-N 2 1 328.460 2.260 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042316735 1232024490 /nfs/dbraw/zinc/02/44/90/1232024490.db2.gz RTGKNPVBOXMZCV-MAUKXSAKSA-N 2 1 328.460 2.260 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001045074220 1233486630 /nfs/dbraw/zinc/48/66/30/1233486630.db2.gz ZZXXIAFBVPXCOV-OALUTQOASA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001045074220 1233486634 /nfs/dbraw/zinc/48/66/34/1233486634.db2.gz ZZXXIAFBVPXCOV-OALUTQOASA-N 2 1 343.446 2.004 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001045673626 1233899293 /nfs/dbraw/zinc/89/92/93/1233899293.db2.gz VTZRCYNPYYGQQA-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045980397 1234271296 /nfs/dbraw/zinc/27/12/96/1234271296.db2.gz XLWQYUBGWXYKDM-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980397 1234271300 /nfs/dbraw/zinc/27/13/00/1234271300.db2.gz XLWQYUBGWXYKDM-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980397 1234271304 /nfs/dbraw/zinc/27/13/04/1234271304.db2.gz XLWQYUBGWXYKDM-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCn3ccnc3C1)C2 ZINC001048542021 1237920736 /nfs/dbraw/zinc/92/07/36/1237920736.db2.gz MLICCCTVWVPSGI-ZJPYXAASSA-N 2 1 342.487 2.381 20 30 EEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001048561463 1237969559 /nfs/dbraw/zinc/96/95/59/1237969559.db2.gz ZFDUFWUAUPNQDO-FJIDUMEYSA-N 2 1 342.487 2.299 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001048561463 1237969567 /nfs/dbraw/zinc/96/95/67/1237969567.db2.gz ZFDUFWUAUPNQDO-FJIDUMEYSA-N 2 1 342.487 2.299 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001048590583 1238044006 /nfs/dbraw/zinc/04/40/06/1238044006.db2.gz OURXVMINABCNKP-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048590583 1238044009 /nfs/dbraw/zinc/04/40/09/1238044009.db2.gz OURXVMINABCNKP-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048590583 1238044019 /nfs/dbraw/zinc/04/40/19/1238044019.db2.gz OURXVMINABCNKP-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003266 1239716796 /nfs/dbraw/zinc/71/67/96/1239716796.db2.gz FVWXIKBGSGUOFG-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003266 1239716804 /nfs/dbraw/zinc/71/68/04/1239716804.db2.gz FVWXIKBGSGUOFG-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003266 1239716817 /nfs/dbraw/zinc/71/68/17/1239716817.db2.gz FVWXIKBGSGUOFG-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)CC1 ZINC001000290156 1240136451 /nfs/dbraw/zinc/13/64/51/1240136451.db2.gz OTMYPVVZCQVUKC-MOPGFXCFSA-N 2 1 343.515 2.387 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001000551262 1240502464 /nfs/dbraw/zinc/50/24/64/1240502464.db2.gz DBIWQTHYQDLIMA-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001049561395 1241423003 /nfs/dbraw/zinc/42/30/03/1241423003.db2.gz KPOTWIZOTNHLMT-AYOQOUSVSA-N 2 1 342.487 2.464 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049716996 1241976426 /nfs/dbraw/zinc/97/64/26/1241976426.db2.gz BYUGJPWXVXNHHN-HLIPFELVSA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001049716996 1241976434 /nfs/dbraw/zinc/97/64/34/1241976434.db2.gz BYUGJPWXVXNHHN-HLIPFELVSA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001049716996 1241976441 /nfs/dbraw/zinc/97/64/41/1241976441.db2.gz BYUGJPWXVXNHHN-HLIPFELVSA-N 2 1 349.494 2.288 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001001421706 1242237561 /nfs/dbraw/zinc/23/75/61/1242237561.db2.gz GKUQLBHRNCUWTJ-JKSUJKDBSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001001421706 1242237567 /nfs/dbraw/zinc/23/75/67/1242237567.db2.gz GKUQLBHRNCUWTJ-JKSUJKDBSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846490 1242402628 /nfs/dbraw/zinc/40/26/28/1242402628.db2.gz IVKVSNIEHISRBG-QZTJIDSGSA-N 2 1 328.460 2.403 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846490 1242402631 /nfs/dbraw/zinc/40/26/31/1242402631.db2.gz IVKVSNIEHISRBG-QZTJIDSGSA-N 2 1 328.460 2.403 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913390 1242675006 /nfs/dbraw/zinc/67/50/06/1242675006.db2.gz WPRXRMBYBQXWMY-RBUKOAKNSA-N 2 1 325.456 2.060 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCC2CC2)CC1 ZINC001049922324 1242722788 /nfs/dbraw/zinc/72/27/88/1242722788.db2.gz YTHKXGSOYCPVPC-UXHICEINSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001073899269 1242762758 /nfs/dbraw/zinc/76/27/58/1242762758.db2.gz PDSISCOGJSEIRQ-SFHVURJKSA-N 2 1 345.487 2.145 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001050212192 1243131996 /nfs/dbraw/zinc/13/19/96/1243131996.db2.gz UIORSPOMZLIRJB-FUHWJXTLSA-N 2 1 343.471 2.291 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517776 1243770142 /nfs/dbraw/zinc/77/01/42/1243770142.db2.gz FLJFPMVJOARGIT-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](F)CC)CC2)CC1 ZINC001052957641 1245555703 /nfs/dbraw/zinc/55/57/03/1245555703.db2.gz IGGBCRLHWNYBFB-ZWKOTPCHSA-N 2 1 337.483 2.050 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050047 1245769180 /nfs/dbraw/zinc/76/91/80/1245769180.db2.gz BKEZMHQPZDNVKJ-MOPGFXCFSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001054057743 1247260541 /nfs/dbraw/zinc/26/05/41/1247260541.db2.gz CQAVCDIBDXUKIM-IBGZPJMESA-N 2 1 339.483 2.201 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001054057743 1247260555 /nfs/dbraw/zinc/26/05/55/1247260555.db2.gz CQAVCDIBDXUKIM-IBGZPJMESA-N 2 1 339.483 2.201 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001054158316 1247561016 /nfs/dbraw/zinc/56/10/16/1247561016.db2.gz IGZMQWWXRXUYCZ-LJQANCHMSA-N 2 1 346.475 2.240 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001054158316 1247561019 /nfs/dbraw/zinc/56/10/19/1247561019.db2.gz IGZMQWWXRXUYCZ-LJQANCHMSA-N 2 1 346.475 2.240 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)cc2C1 ZINC001054281548 1248000108 /nfs/dbraw/zinc/00/01/08/1248000108.db2.gz PPMXXILLUDRGEN-BEFAXECRSA-N 2 1 327.472 2.392 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281548 1248000116 /nfs/dbraw/zinc/00/01/16/1248000116.db2.gz PPMXXILLUDRGEN-BEFAXECRSA-N 2 1 327.472 2.392 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281548 1248000127 /nfs/dbraw/zinc/00/01/27/1248000127.db2.gz PPMXXILLUDRGEN-BEFAXECRSA-N 2 1 327.472 2.392 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[NH+]1CCCC1)C[C@H](C)O2 ZINC001071198753 1254045515 /nfs/dbraw/zinc/04/55/15/1254045515.db2.gz DLBRADNUUMBKAN-FXAWDEMLSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099664 1254929585 /nfs/dbraw/zinc/92/95/85/1254929585.db2.gz VJQJIFHYCRQFDM-FUHWJXTLSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001099131041 1257981411 /nfs/dbraw/zinc/98/14/11/1257981411.db2.gz VVSPMAWRJOUJTL-SFHVURJKSA-N 2 1 342.487 2.148 20 30 EEEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850397572 1277213340 /nfs/dbraw/zinc/21/33/40/1277213340.db2.gz YAINFSDTZFNSSB-CRAIPNDOSA-N 2 1 329.444 2.320 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001193600811 1282626041 /nfs/dbraw/zinc/62/60/41/1282626041.db2.gz MELVSTPMYXRYTH-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001193600811 1282626057 /nfs/dbraw/zinc/62/60/57/1282626057.db2.gz MELVSTPMYXRYTH-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001193600811 1282626072 /nfs/dbraw/zinc/62/60/72/1282626072.db2.gz MELVSTPMYXRYTH-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194229368 1282933741 /nfs/dbraw/zinc/93/37/41/1282933741.db2.gz WSBOVLNHKNKFCK-IBGZPJMESA-N 2 1 345.487 2.097 20 30 EEEDMP C=CCCC[N@@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196366406 1284051888 /nfs/dbraw/zinc/05/18/88/1284051888.db2.gz LKDSFYVCTTVKGF-UHFFFAOYSA-N 2 1 330.476 2.408 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@H](C)CCC=C)CC2)CC1 ZINC001198236662 1285048070 /nfs/dbraw/zinc/04/80/70/1285048070.db2.gz SCHYFWBFSNRTDP-GOSISDBHSA-N 2 1 331.504 2.221 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201558267 1289666067 /nfs/dbraw/zinc/66/60/67/1289666067.db2.gz NGOQLIMJVWXWLS-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001110662333 1292334540 /nfs/dbraw/zinc/33/45/40/1292334540.db2.gz LVSQNBBXOCZYBV-NCOADZHNSA-N 2 1 328.460 2.448 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001110662333 1292334549 /nfs/dbraw/zinc/33/45/49/1292334549.db2.gz LVSQNBBXOCZYBV-NCOADZHNSA-N 2 1 328.460 2.448 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001073697496 1297409963 /nfs/dbraw/zinc/40/99/63/1297409963.db2.gz KVZOYVNBCYSECI-GOSISDBHSA-N 2 1 342.443 2.121 20 30 EEEDMP C=CCOCC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227793096 1301968002 /nfs/dbraw/zinc/96/80/02/1301968002.db2.gz ZZWREFISQYTPSE-GOSISDBHSA-N 2 1 337.508 2.033 20 30 EEEDMP C[NH+](C)CCCC(=O)NC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001228879894 1302502861 /nfs/dbraw/zinc/50/28/61/1302502861.db2.gz XECCVZGIGUULFG-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC(C)[C@H](C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001229073256 1302598656 /nfs/dbraw/zinc/59/86/56/1302598656.db2.gz DZVXJFVROSVTDN-HXUWFJFHSA-N 2 1 341.499 2.205 20 30 EEEDMP C=CCCCCC[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229626081 1302900158 /nfs/dbraw/zinc/90/01/58/1302900158.db2.gz QTMOHKFHHBCUOP-UHFFFAOYSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436311 1302959023 /nfs/dbraw/zinc/95/90/23/1302959023.db2.gz SUDQFFAIUYWPFQ-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436311 1302959030 /nfs/dbraw/zinc/95/90/30/1302959030.db2.gz SUDQFFAIUYWPFQ-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103437213 1302960864 /nfs/dbraw/zinc/96/08/64/1302960864.db2.gz OTIVVZYUURJNFA-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103437213 1302960868 /nfs/dbraw/zinc/96/08/68/1302960868.db2.gz OTIVVZYUURJNFA-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592365 1303300807 /nfs/dbraw/zinc/30/08/07/1303300807.db2.gz ZZVZDTWSSDEFDF-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111906195 1304071769 /nfs/dbraw/zinc/07/17/69/1304071769.db2.gz WSWLQBOLPOANMY-BJLQDIEVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111906195 1304071774 /nfs/dbraw/zinc/07/17/74/1304071774.db2.gz WSWLQBOLPOANMY-BJLQDIEVSA-N 2 1 349.519 2.034 20 30 EEEDMP N#Cc1ccc(Oc2ccc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001234986292 1305074172 /nfs/dbraw/zinc/07/41/72/1305074172.db2.gz JOTVHEPBHSCTOQ-NRFANRHFSA-N 2 1 348.450 2.488 20 30 EEEDMP C[C@H](CO)C[N@H+]1CCC[C@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277998885 1305642150 /nfs/dbraw/zinc/64/21/50/1305642150.db2.gz SLDGEYANBDEMDX-PXNSSMCTSA-N 2 1 344.503 2.203 20 30 EEEDMP C=CCOCC[NH2+]C1(CNC(=O)CC[N@H+](C)CCC)CCCCC1 ZINC001120041576 1309293666 /nfs/dbraw/zinc/29/36/66/1309293666.db2.gz YUQQLWQFDSAQKC-UHFFFAOYSA-N 2 1 339.524 2.330 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC001246308839 1310277938 /nfs/dbraw/zinc/27/79/38/1310277938.db2.gz SHLWBOSLHOWEOS-QAPCUYQASA-N 2 1 334.460 2.443 20 30 EEEDMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834505689 1314846313 /nfs/dbraw/zinc/84/63/13/1314846313.db2.gz MVMQRSSUIWYMBI-VQTJNVASSA-N 2 1 348.450 2.160 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451858 1316266980 /nfs/dbraw/zinc/26/69/80/1316266980.db2.gz ARYZCKTYTAGLAK-MSOLQXFVSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001150580742 1316306368 /nfs/dbraw/zinc/30/63/68/1316306368.db2.gz ZIMRHUCWNSZGKI-RTBURBONSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001150580742 1316306374 /nfs/dbraw/zinc/30/63/74/1316306374.db2.gz ZIMRHUCWNSZGKI-RTBURBONSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001150580742 1316306378 /nfs/dbraw/zinc/30/63/78/1316306378.db2.gz ZIMRHUCWNSZGKI-RTBURBONSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606582 1316314101 /nfs/dbraw/zinc/31/41/01/1316314101.db2.gz HGOPTFXURNTHRE-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150624802 1316320106 /nfs/dbraw/zinc/32/01/06/1316320106.db2.gz GQURQYHCZJUFTD-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150624802 1316320111 /nfs/dbraw/zinc/32/01/11/1316320111.db2.gz GQURQYHCZJUFTD-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150624802 1316320118 /nfs/dbraw/zinc/32/01/18/1316320118.db2.gz GQURQYHCZJUFTD-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001151352302 1316510854 /nfs/dbraw/zinc/51/08/54/1316510854.db2.gz XPRIIXRQSPTKNY-QZTJIDSGSA-N 2 1 349.519 2.177 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001152148861 1316638212 /nfs/dbraw/zinc/63/82/12/1316638212.db2.gz SEXZWLFKWHMZHL-IYBDPMFKSA-N 2 1 347.890 2.270 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904142 1317378301 /nfs/dbraw/zinc/37/83/01/1317378301.db2.gz MMKIJINEIBEYOW-GOSISDBHSA-N 2 1 329.488 2.207 20 30 EEEDMP C=CCC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001252595446 1317642909 /nfs/dbraw/zinc/64/29/09/1317642909.db2.gz HUVXTGYKZANTDC-GOSISDBHSA-N 2 1 332.492 2.178 20 30 EEEDMP C=CCC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001252595446 1317642915 /nfs/dbraw/zinc/64/29/15/1317642915.db2.gz HUVXTGYKZANTDC-GOSISDBHSA-N 2 1 332.492 2.178 20 30 EEEDMP [NH2+]=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC001252945046 1317734650 /nfs/dbraw/zinc/73/46/50/1317734650.db2.gz WJHQLLWWTRNSES-GOSISDBHSA-N 2 1 344.846 2.077 20 30 EEEDMP CCN(Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157113316 1318415104 /nfs/dbraw/zinc/41/51/04/1318415104.db2.gz HITDXYJSUGQUBU-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113316 1318415110 /nfs/dbraw/zinc/41/51/10/1318415110.db2.gz HITDXYJSUGQUBU-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113316 1318415113 /nfs/dbraw/zinc/41/51/13/1318415113.db2.gz HITDXYJSUGQUBU-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[NH+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157113316 1318415121 /nfs/dbraw/zinc/41/51/21/1318415121.db2.gz HITDXYJSUGQUBU-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001157887034 1318918033 /nfs/dbraw/zinc/91/80/33/1318918033.db2.gz PTMVIUTUVVLCBZ-SFHVURJKSA-N 2 1 346.450 2.166 20 30 EEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001158474318 1319258738 /nfs/dbraw/zinc/25/87/38/1319258738.db2.gz XKFDEIZCFFSAJQ-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001158474318 1319258743 /nfs/dbraw/zinc/25/87/43/1319258743.db2.gz XKFDEIZCFFSAJQ-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131478 1320079161 /nfs/dbraw/zinc/07/91/61/1320079161.db2.gz NGNOQMBOYRQIAT-RBUKOAKNSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131478 1320079167 /nfs/dbraw/zinc/07/91/67/1320079167.db2.gz NGNOQMBOYRQIAT-RBUKOAKNSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131478 1320079170 /nfs/dbraw/zinc/07/91/70/1320079170.db2.gz NGNOQMBOYRQIAT-RBUKOAKNSA-N 2 1 329.488 2.023 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161722731 1320599789 /nfs/dbraw/zinc/59/97/89/1320599789.db2.gz DKXJBXCAIIXGAU-UHFFFAOYSA-N 2 1 328.460 2.476 20 30 EEEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946767 1320687979 /nfs/dbraw/zinc/68/79/79/1320687979.db2.gz BURFMAASTMTCPT-FQEVSTJZSA-N 2 1 339.483 2.451 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946767 1320687982 /nfs/dbraw/zinc/68/79/82/1320687982.db2.gz BURFMAASTMTCPT-FQEVSTJZSA-N 2 1 339.483 2.451 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001162826509 1320969202 /nfs/dbraw/zinc/96/92/02/1320969202.db2.gz FRIDLNUJSHTCAC-FQEVSTJZSA-N 2 1 341.499 2.155 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531824 1321409580 /nfs/dbraw/zinc/40/95/80/1321409580.db2.gz TXJIJSWLXZYCKU-HOTGVXAUSA-N 2 1 339.911 2.489 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001205707257 1323256949 /nfs/dbraw/zinc/25/69/49/1323256949.db2.gz RLWTXEXTTVXRNH-UHFFFAOYSA-N 2 1 330.476 2.166 20 30 EEEDMP C[NH+]1CCC(CN2CC[NH+](CCCc3ccc(C#N)cc3)CC2)CC1 ZINC001208864111 1324697359 /nfs/dbraw/zinc/69/73/59/1324697359.db2.gz IOFDRZPTHCNTEF-UHFFFAOYSA-N 2 1 340.515 2.450 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210145036 1325177450 /nfs/dbraw/zinc/17/74/50/1325177450.db2.gz CTDHYGQBNRELBF-SFHVURJKSA-N 2 1 339.524 2.260 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426661 1325280767 /nfs/dbraw/zinc/28/07/67/1325280767.db2.gz KEOUABMKKIYIHN-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426661 1325280772 /nfs/dbraw/zinc/28/07/72/1325280772.db2.gz KEOUABMKKIYIHN-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210645831 1325365661 /nfs/dbraw/zinc/36/56/61/1325365661.db2.gz UZHBKAIAWIKHOY-OALUTQOASA-N 2 1 327.472 2.283 20 30 EEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001121340798 1371869907 /nfs/dbraw/zinc/86/99/07/1371869907.db2.gz JWJBVUOMDBYWCC-UHFFFAOYSA-N 2 1 346.475 2.333 20 30 EEEDMP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001369847241 1374678722 /nfs/dbraw/zinc/67/87/22/1374678722.db2.gz XOXRDSQGBGUXRJ-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001369847241 1374678728 /nfs/dbraw/zinc/67/87/28/1374678728.db2.gz XOXRDSQGBGUXRJ-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001372157414 1375818278 /nfs/dbraw/zinc/81/82/78/1375818278.db2.gz OTLJIMLXQCJFPY-UHFFFAOYSA-N 2 1 339.443 2.092 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001372157414 1375818280 /nfs/dbraw/zinc/81/82/80/1375818280.db2.gz OTLJIMLXQCJFPY-UHFFFAOYSA-N 2 1 339.443 2.092 20 30 EEEDMP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1C#N ZINC001377395348 1379202970 /nfs/dbraw/zinc/20/29/70/1379202970.db2.gz RZZOOUWBWCXIIZ-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001393057858 1390297247 /nfs/dbraw/zinc/29/72/47/1390297247.db2.gz NOJVVOGZQPQBEV-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001752894652 1406523784 /nfs/dbraw/zinc/52/37/84/1406523784.db2.gz KSKNIYLTTODOAG-RYRKJORJSA-N 2 1 345.462 2.002 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001755464738 1407499810 /nfs/dbraw/zinc/49/98/10/1407499810.db2.gz PDZFNKMHKCLENP-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[N@@H+](C)CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)C(C)C ZINC001755812538 1407865720 /nfs/dbraw/zinc/86/57/20/1407865720.db2.gz RILBHAALTQWSQM-UHFFFAOYSA-N 2 1 346.475 2.076 20 30 EEEDMP C#CCC[N@H+](C)CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)C(C)C ZINC001755812538 1407865724 /nfs/dbraw/zinc/86/57/24/1407865724.db2.gz RILBHAALTQWSQM-UHFFFAOYSA-N 2 1 346.475 2.076 20 30 EEEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100406032 1410651160 /nfs/dbraw/zinc/65/11/60/1410651160.db2.gz YJAGZLBJQZGMIG-TVPLGVNVSA-N 2 1 349.519 2.080 20 30 EEEDMP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030317 782402300 /nfs/dbraw/zinc/40/23/00/782402300.db2.gz NGTJNKNAASUULB-OALUTQOASA-N 2 1 340.471 2.171 20 30 EEEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470319 756996456 /nfs/dbraw/zinc/99/64/56/756996456.db2.gz IRFRMHKLCFAMEY-HKUYNNGSSA-N 2 1 330.476 2.376 20 30 EEEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167093870 757260769 /nfs/dbraw/zinc/26/07/69/757260769.db2.gz UBMJYCAEDAXQQW-SJORKVTESA-N 2 1 335.879 2.180 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449985 760441937 /nfs/dbraw/zinc/44/19/37/760441937.db2.gz XFUXVBDDQIJLQL-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457520 760815579 /nfs/dbraw/zinc/81/55/79/760815579.db2.gz VFSMLHJVEAMICZ-GOSISDBHSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)CC[C@H]1CCC[N@H+]1C)C[C@H](C)O2 ZINC001098606781 765221802 /nfs/dbraw/zinc/22/18/02/765221802.db2.gz VKXWZIQJBHHPSY-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C(C)C)CC(C)(C)C2)CC1 ZINC001089560831 770361020 /nfs/dbraw/zinc/36/10/20/770361020.db2.gz IETSCBFSQMRGBD-GOSISDBHSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000979999347 773689011 /nfs/dbraw/zinc/68/90/11/773689011.db2.gz JBRDFBLJQDSNOK-GBESFXJTSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089734827 774811720 /nfs/dbraw/zinc/81/17/20/774811720.db2.gz YPZDTUAGMHIXPN-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734827 774811727 /nfs/dbraw/zinc/81/17/27/774811727.db2.gz YPZDTUAGMHIXPN-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734827 774811733 /nfs/dbraw/zinc/81/17/33/774811733.db2.gz YPZDTUAGMHIXPN-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC(=C)C)CC1 ZINC000997623677 790467583 /nfs/dbraw/zinc/46/75/83/790467583.db2.gz HTGUDDMGLZFNCI-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC(=C)C)CC1 ZINC000997623677 790467590 /nfs/dbraw/zinc/46/75/90/790467590.db2.gz HTGUDDMGLZFNCI-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045705 776774807 /nfs/dbraw/zinc/77/48/07/776774807.db2.gz OORZEDLGTPRLPU-GOSISDBHSA-N 2 1 327.472 2.008 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001089839509 777552230 /nfs/dbraw/zinc/55/22/30/777552230.db2.gz UNNFYDVNELEKQK-QAETUUGQSA-N 2 1 348.878 2.113 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001089839509 777552235 /nfs/dbraw/zinc/55/22/35/777552235.db2.gz UNNFYDVNELEKQK-QAETUUGQSA-N 2 1 348.878 2.113 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000981769112 778184332 /nfs/dbraw/zinc/18/43/32/778184332.db2.gz XUZXJELYWDGWHP-UHFFFAOYSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000981865672 778421456 /nfs/dbraw/zinc/42/14/56/778421456.db2.gz VHCNIDGFCVSHPU-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865672 778421462 /nfs/dbraw/zinc/42/14/62/778421462.db2.gz VHCNIDGFCVSHPU-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865672 778421471 /nfs/dbraw/zinc/42/14/71/778421471.db2.gz VHCNIDGFCVSHPU-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211703026 778708608 /nfs/dbraw/zinc/70/86/08/778708608.db2.gz QORVEYXJNVAXJW-RBUKOAKNSA-N 2 1 329.488 2.489 20 30 EEEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006398 778843830 /nfs/dbraw/zinc/84/38/30/778843830.db2.gz GATNECSEPKLFLQ-MOPGFXCFSA-N 2 1 327.472 2.052 20 30 EEEDMP C=CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006398 778843839 /nfs/dbraw/zinc/84/38/39/778843839.db2.gz GATNECSEPKLFLQ-MOPGFXCFSA-N 2 1 327.472 2.052 20 30 EEEDMP C=CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006398 778843850 /nfs/dbraw/zinc/84/38/50/778843850.db2.gz GATNECSEPKLFLQ-MOPGFXCFSA-N 2 1 327.472 2.052 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279893 779519112 /nfs/dbraw/zinc/51/91/12/779519112.db2.gz LUCYXMHXDJRPJD-UKAVVXHISA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279893 779519118 /nfs/dbraw/zinc/51/91/18/779519118.db2.gz LUCYXMHXDJRPJD-UKAVVXHISA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982279893 779519126 /nfs/dbraw/zinc/51/91/26/779519126.db2.gz LUCYXMHXDJRPJD-UKAVVXHISA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@@H](C)CC)C[C@]2(C)C1 ZINC000982298945 779623847 /nfs/dbraw/zinc/62/38/47/779623847.db2.gz SACYNCABZHWMKJ-JYAXBFRTSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](C)CC)C[C@]2(C)C1 ZINC000982298945 779623849 /nfs/dbraw/zinc/62/38/49/779623849.db2.gz SACYNCABZHWMKJ-JYAXBFRTSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@@H](C)CC)C[C@]2(C)C1 ZINC000982298945 779623851 /nfs/dbraw/zinc/62/38/51/779623851.db2.gz SACYNCABZHWMKJ-JYAXBFRTSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C[C@@H](C)CC)C[C@]2(C)C1 ZINC000982298945 779623854 /nfs/dbraw/zinc/62/38/54/779623854.db2.gz SACYNCABZHWMKJ-JYAXBFRTSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C[C@@H](C)CC)C[C@]2(C)C1 ZINC000982298945 779623857 /nfs/dbraw/zinc/62/38/57/779623857.db2.gz SACYNCABZHWMKJ-JYAXBFRTSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471919 783827576 /nfs/dbraw/zinc/82/75/76/783827576.db2.gz QBJKACVCAFCQAQ-HUUCEWRRSA-N 2 1 334.464 2.333 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035227131 784115199 /nfs/dbraw/zinc/11/51/99/784115199.db2.gz OMHMCMOSHZKKBM-ROUUACIJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227131 784115202 /nfs/dbraw/zinc/11/52/02/784115202.db2.gz OMHMCMOSHZKKBM-ROUUACIJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227131 784115204 /nfs/dbraw/zinc/11/52/04/784115204.db2.gz OMHMCMOSHZKKBM-ROUUACIJSA-N 2 1 333.520 2.465 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135882297 784666497 /nfs/dbraw/zinc/66/64/97/784666497.db2.gz KHPYJBOSJGMGBZ-HOTGVXAUSA-N 2 1 330.476 2.273 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135980918 784907803 /nfs/dbraw/zinc/90/78/03/784907803.db2.gz UXGPNSBFDXHKSR-CABCVRRESA-N 2 1 348.466 2.412 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035719764 785012811 /nfs/dbraw/zinc/01/28/11/785012811.db2.gz AJAYCJFZPSIKDR-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC000996685322 787132292 /nfs/dbraw/zinc/13/22/92/787132292.db2.gz ORMAYRVLFNPTSR-XLIONFOSSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC000996685322 787132296 /nfs/dbraw/zinc/13/22/96/787132296.db2.gz ORMAYRVLFNPTSR-XLIONFOSSA-N 2 1 339.483 2.426 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439329 787247805 /nfs/dbraw/zinc/24/78/05/787247805.db2.gz WDOGCVWVKGECTN-SOLBZPMBSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000996996939 788427941 /nfs/dbraw/zinc/42/79/41/788427941.db2.gz AUKCANOWWRUNPY-GOSISDBHSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]c(NC(=O)CC)c1 ZINC001171074805 788475052 /nfs/dbraw/zinc/47/50/52/788475052.db2.gz JBFXHJBZAJUBNP-AWEZNQCLSA-N 2 1 334.420 2.069 20 30 EEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001006001277 789231965 /nfs/dbraw/zinc/23/19/65/789231965.db2.gz LSGPNZWRJHSOPO-INIZCTEOSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC000991881444 791238063 /nfs/dbraw/zinc/23/80/63/791238063.db2.gz DXUVGDICDSOHKH-UYAOXDASSA-N 2 1 342.487 2.451 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC000991881444 791238072 /nfs/dbraw/zinc/23/80/72/791238072.db2.gz DXUVGDICDSOHKH-UYAOXDASSA-N 2 1 342.487 2.451 20 30 EEEDMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001147358616 791798911 /nfs/dbraw/zinc/79/89/11/791798911.db2.gz HILTWEQNVQUHLI-FQEVSTJZSA-N 2 1 341.499 2.399 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001109864522 806107652 /nfs/dbraw/zinc/10/76/52/806107652.db2.gz GWHQNLBLPGRTNQ-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001109864522 806107658 /nfs/dbraw/zinc/10/76/58/806107658.db2.gz GWHQNLBLPGRTNQ-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098952 792121609 /nfs/dbraw/zinc/12/16/09/792121609.db2.gz ZJRUGHLFOQYYSI-JKSUJKDBSA-N 2 1 327.488 2.459 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001032629084 792580569 /nfs/dbraw/zinc/58/05/69/792580569.db2.gz SWDOFQLROUKHAI-NJAFHUGGSA-N 2 1 328.460 2.005 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001032629084 792580575 /nfs/dbraw/zinc/58/05/75/792580575.db2.gz SWDOFQLROUKHAI-NJAFHUGGSA-N 2 1 328.460 2.005 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924630 792996355 /nfs/dbraw/zinc/99/63/55/792996355.db2.gz XVVKFTMLKAGQTI-RCCFBDPRSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C/C=C\Cl)CC3)CC1 ZINC000992510253 794455385 /nfs/dbraw/zinc/45/53/85/794455385.db2.gz PFIWIZYAONJPNG-OEFHSZDZSA-N 2 1 349.906 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036730860 794676719 /nfs/dbraw/zinc/67/67/19/794676719.db2.gz KIVAWRUEWHTPBK-NVXWUHKLSA-N 2 1 345.512 2.369 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036755366 794785999 /nfs/dbraw/zinc/78/59/99/794785999.db2.gz VMEZZLVWHGFBBD-VQIMIIECSA-N 2 1 336.439 2.202 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001093382652 795123890 /nfs/dbraw/zinc/12/38/90/795123890.db2.gz CMBULRBYJSRXAV-OALUTQOASA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093382652 795123893 /nfs/dbraw/zinc/12/38/93/795123893.db2.gz CMBULRBYJSRXAV-OALUTQOASA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093382652 795123895 /nfs/dbraw/zinc/12/38/95/795123895.db2.gz CMBULRBYJSRXAV-OALUTQOASA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036853970 795502518 /nfs/dbraw/zinc/50/25/18/795502518.db2.gz CBGAWVHNAWWOCY-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089959841 795610441 /nfs/dbraw/zinc/61/04/41/795610441.db2.gz RXFGWCBAQKJLBE-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089959841 795610445 /nfs/dbraw/zinc/61/04/45/795610445.db2.gz RXFGWCBAQKJLBE-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089959841 795610450 /nfs/dbraw/zinc/61/04/50/795610450.db2.gz RXFGWCBAQKJLBE-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497882 796290504 /nfs/dbraw/zinc/29/05/04/796290504.db2.gz OZWQHHFJIOQJCQ-PNYFIKQUSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497882 796290510 /nfs/dbraw/zinc/29/05/10/796290510.db2.gz OZWQHHFJIOQJCQ-PNYFIKQUSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497882 796290514 /nfs/dbraw/zinc/29/05/14/796290514.db2.gz OZWQHHFJIOQJCQ-PNYFIKQUSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC)CC3)CC1 ZINC001094582006 796422674 /nfs/dbraw/zinc/42/26/74/796422674.db2.gz JGXUYHOFGOFNOX-UYAOXDASSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001106804249 796640798 /nfs/dbraw/zinc/64/07/98/796640798.db2.gz JDXAHEZHFNQGSB-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226528 796678273 /nfs/dbraw/zinc/67/82/73/796678273.db2.gz FNAUYPXNRLIXDM-CEXWTWQISA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241437 797346042 /nfs/dbraw/zinc/34/60/42/797346042.db2.gz SDZYEZGFNKZLOU-RTBURBONSA-N 2 1 345.487 2.143 20 30 EEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262281 798058910 /nfs/dbraw/zinc/05/89/10/798058910.db2.gz FGRLTOLFAAQOEP-QAPCUYQASA-N 2 1 325.472 2.097 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978585 798591167 /nfs/dbraw/zinc/59/11/67/798591167.db2.gz ZWCDODGHCOWEQU-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978585 798591172 /nfs/dbraw/zinc/59/11/72/798591172.db2.gz ZWCDODGHCOWEQU-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978585 798591177 /nfs/dbraw/zinc/59/11/77/798591177.db2.gz ZWCDODGHCOWEQU-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001177169977 798760801 /nfs/dbraw/zinc/76/08/01/798760801.db2.gz JTMBKCGOJZZUGT-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001177169977 798760804 /nfs/dbraw/zinc/76/08/04/798760804.db2.gz JTMBKCGOJZZUGT-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001177316781 798855625 /nfs/dbraw/zinc/85/56/25/798855625.db2.gz GZCDYPOSVOVRES-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001177335407 798869442 /nfs/dbraw/zinc/86/94/42/798869442.db2.gz AXVWOMWRTSBZCX-LJQANCHMSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001177489305 798979569 /nfs/dbraw/zinc/97/95/69/798979569.db2.gz ZJAZTTDQNZZNDY-LJQANCHMSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccns1 ZINC001178722815 799580956 /nfs/dbraw/zinc/58/09/56/799580956.db2.gz PHLPKYTUXRAIQH-KRWDZBQOSA-N 2 1 348.516 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccns1 ZINC001178722815 799580959 /nfs/dbraw/zinc/58/09/59/799580959.db2.gz PHLPKYTUXRAIQH-KRWDZBQOSA-N 2 1 348.516 2.007 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178890994 799676813 /nfs/dbraw/zinc/67/68/13/799676813.db2.gz LKEQRGXGVNQBIK-BZSNNMDCSA-N 2 1 337.508 2.031 20 30 EEEDMP C#CCC[NH2+]CCCCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001179929914 800165113 /nfs/dbraw/zinc/16/51/13/800165113.db2.gz PSZVHDRQYRWTDG-UHFFFAOYSA-N 2 1 339.443 2.170 20 30 EEEDMP C=CC[NH2+]CCCCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001179929482 800165298 /nfs/dbraw/zinc/16/52/98/800165298.db2.gz FZBDLLQAOWLJGH-UHFFFAOYSA-N 2 1 327.432 2.333 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004458484 802123206 /nfs/dbraw/zinc/12/32/06/802123206.db2.gz PJTAJVZBEXWDDP-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001004458506 802123411 /nfs/dbraw/zinc/12/34/11/802123411.db2.gz PMOMOODATOMIAM-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001004458506 802123418 /nfs/dbraw/zinc/12/34/18/802123418.db2.gz PMOMOODATOMIAM-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004458506 802123423 /nfs/dbraw/zinc/12/34/23/802123423.db2.gz PMOMOODATOMIAM-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004458506 802123427 /nfs/dbraw/zinc/12/34/27/802123427.db2.gz PMOMOODATOMIAM-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001108433670 803562442 /nfs/dbraw/zinc/56/24/42/803562442.db2.gz IGAYRCAVWFNPQT-IBGZPJMESA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001108433670 803562444 /nfs/dbraw/zinc/56/24/44/803562444.db2.gz IGAYRCAVWFNPQT-IBGZPJMESA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599528 809273155 /nfs/dbraw/zinc/27/31/55/809273155.db2.gz UYKWJIVMNYEEEQ-RBUKOAKNSA-N 2 1 338.455 2.352 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599528 809273158 /nfs/dbraw/zinc/27/31/58/809273158.db2.gz UYKWJIVMNYEEEQ-RBUKOAKNSA-N 2 1 338.455 2.352 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001442198554 1096478192 /nfs/dbraw/zinc/47/81/92/1096478192.db2.gz HAPHTQIIXGLJSC-HUUCEWRRSA-N 2 1 348.516 2.479 20 30 EEEDMP C=C(Br)C[NH+]1CC[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001443268400 1097750668 /nfs/dbraw/zinc/75/06/68/1097750668.db2.gz RPMMOOYJLAJTSV-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[NH+]1CC[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001443268400 1097750672 /nfs/dbraw/zinc/75/06/72/1097750672.db2.gz RPMMOOYJLAJTSV-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001443268400 1097750674 /nfs/dbraw/zinc/75/06/74/1097750674.db2.gz RPMMOOYJLAJTSV-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001443268400 1097750678 /nfs/dbraw/zinc/75/06/78/1097750678.db2.gz RPMMOOYJLAJTSV-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001480264530 1099952582 /nfs/dbraw/zinc/95/25/82/1099952582.db2.gz FCWBPHBVVOLHMN-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[NH+]1CCC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001480264530 1099952586 /nfs/dbraw/zinc/95/25/86/1099952586.db2.gz FCWBPHBVVOLHMN-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001480264530 1099952593 /nfs/dbraw/zinc/95/25/93/1099952593.db2.gz FCWBPHBVVOLHMN-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001480264530 1099952597 /nfs/dbraw/zinc/95/25/97/1099952597.db2.gz FCWBPHBVVOLHMN-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001495959876 1101834123 /nfs/dbraw/zinc/83/41/23/1101834123.db2.gz PEZJKLNSGWOYRO-UHFFFAOYSA-N 2 1 348.516 2.480 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001480771078 1107081929 /nfs/dbraw/zinc/08/19/29/1107081929.db2.gz OMYZTCGUFWYCKM-LPHOPBHVSA-N 2 1 345.462 2.216 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001480771078 1107081943 /nfs/dbraw/zinc/08/19/43/1107081943.db2.gz OMYZTCGUFWYCKM-LPHOPBHVSA-N 2 1 345.462 2.216 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166468 781950323 /nfs/dbraw/zinc/95/03/23/781950323.db2.gz VSTXGSRJRCCZEQ-RRFJBIMHSA-N 2 1 347.425 2.273 20 30 EEEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266588205 248372670 /nfs/dbraw/zinc/37/26/70/248372670.db2.gz KXOQEEJLSNBWHB-MOPGFXCFSA-N 2 1 343.471 2.106 20 30 EEEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266588205 248372672 /nfs/dbraw/zinc/37/26/72/248372672.db2.gz KXOQEEJLSNBWHB-MOPGFXCFSA-N 2 1 343.471 2.106 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158967246 533503897 /nfs/dbraw/zinc/50/38/97/533503897.db2.gz NTPWYRLOHYCAKG-IRXDYDNUSA-N 2 1 329.444 2.362 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158967246 533503902 /nfs/dbraw/zinc/50/39/02/533503902.db2.gz NTPWYRLOHYCAKG-IRXDYDNUSA-N 2 1 329.444 2.362 20 30 EEEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158967246 533503908 /nfs/dbraw/zinc/50/39/08/533503908.db2.gz NTPWYRLOHYCAKG-IRXDYDNUSA-N 2 1 329.444 2.362 20 30 EEEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158967246 533503911 /nfs/dbraw/zinc/50/39/11/533503911.db2.gz NTPWYRLOHYCAKG-IRXDYDNUSA-N 2 1 329.444 2.362 20 30 EEEDMP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190609332 152210738 /nfs/dbraw/zinc/21/07/38/152210738.db2.gz ZWIAZPBFZDFTFD-IBGZPJMESA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1CC ZINC001087653428 782021856 /nfs/dbraw/zinc/02/18/56/782021856.db2.gz WYNGBUCVAWSMMY-FUHWJXTLSA-N 2 1 339.443 2.426 20 30 EEEDMP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083198848 463539927 /nfs/dbraw/zinc/53/99/27/463539927.db2.gz AKBPRJWPNFHKDZ-MRXNPFEDSA-N 2 1 346.500 2.389 20 30 EEEDMP C=CC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000261785443 463859149 /nfs/dbraw/zinc/85/91/49/463859149.db2.gz PSLJYQMHQXPGMT-OAHLLOKOSA-N 2 1 326.448 2.211 20 30 EEEDMP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261994244 463919738 /nfs/dbraw/zinc/91/97/38/463919738.db2.gz RZYDKMHEFVMWHE-VUCAUUSGSA-N 2 1 338.499 2.220 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]=C(N(C)C)N(C)C)cc2)C[C@H](C)O1 ZINC000262006636 463924445 /nfs/dbraw/zinc/92/44/45/463924445.db2.gz RTUDGRBTEGHHLM-IYBDPMFKSA-N 2 1 332.492 2.275 20 30 EEEDMP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@@H]1CCC[N@H+]1C ZINC000262720506 464039240 /nfs/dbraw/zinc/03/92/40/464039240.db2.gz FODNQPYSNUBGGN-HNNXBMFYSA-N 2 1 331.439 2.109 20 30 EEEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)Nc1ccccc1OC(F)(F)F ZINC000187855590 464169521 /nfs/dbraw/zinc/16/95/21/464169521.db2.gz OLZURKMGCJVAHJ-UHFFFAOYSA-N 2 1 346.353 2.034 20 30 EEEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)Nc1ccccc1OC(F)(F)F ZINC000187855590 464169526 /nfs/dbraw/zinc/16/95/26/464169526.db2.gz OLZURKMGCJVAHJ-UHFFFAOYSA-N 2 1 346.353 2.034 20 30 EEEDMP C#CCNC(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293478535 464407035 /nfs/dbraw/zinc/40/70/35/464407035.db2.gz FOHZHRXTJXELKR-UHFFFAOYSA-N 2 1 339.483 2.114 20 30 EEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC1(C#N)CCC1 ZINC000348407962 465587474 /nfs/dbraw/zinc/58/74/74/465587474.db2.gz XOQAHDSLVWYRDJ-IXDOHACOSA-N 2 1 334.508 2.428 20 30 EEEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310562231 466516921 /nfs/dbraw/zinc/51/69/21/466516921.db2.gz WCAVVXXMPRFLEK-WDSOQIARSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310562231 466516927 /nfs/dbraw/zinc/51/69/27/466516927.db2.gz WCAVVXXMPRFLEK-WDSOQIARSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310562231 466516936 /nfs/dbraw/zinc/51/69/36/466516936.db2.gz WCAVVXXMPRFLEK-WDSOQIARSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310562231 466516946 /nfs/dbraw/zinc/51/69/46/466516946.db2.gz WCAVVXXMPRFLEK-WDSOQIARSA-N 2 1 327.472 2.131 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000411398334 466818571 /nfs/dbraw/zinc/81/85/71/466818571.db2.gz JFBYPVZLXYFUKI-UHFFFAOYSA-N 2 1 325.416 2.414 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000411398334 466818575 /nfs/dbraw/zinc/81/85/75/466818575.db2.gz JFBYPVZLXYFUKI-UHFFFAOYSA-N 2 1 325.416 2.414 20 30 EEEDMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2)C[C@@H](C)O1 ZINC000424143444 466989347 /nfs/dbraw/zinc/98/93/47/466989347.db2.gz JSXIFHGFTKCFKR-RKVPGOIHSA-N 2 1 344.459 2.255 20 30 EEEDMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)C1 ZINC000424156793 466993361 /nfs/dbraw/zinc/99/33/61/466993361.db2.gz QCAFSFYDHGFWSP-YJBOKZPZSA-N 2 1 344.459 2.367 20 30 EEEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000598729004 468975974 /nfs/dbraw/zinc/97/59/74/468975974.db2.gz GTAULBQIBSBPMA-RBUKOAKNSA-N 2 1 345.487 2.034 20 30 EEEDMP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000598729003 468976248 /nfs/dbraw/zinc/97/62/48/468976248.db2.gz GTAULBQIBSBPMA-OALUTQOASA-N 2 1 345.487 2.034 20 30 EEEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000598729005 468976745 /nfs/dbraw/zinc/97/67/45/468976745.db2.gz GTAULBQIBSBPMA-RTBURBONSA-N 2 1 345.487 2.034 20 30 EEEDMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN[C@H](C)CC#N)CC2)cc1 ZINC000602865796 469128432 /nfs/dbraw/zinc/12/84/32/469128432.db2.gz YZRXQPMXOCOOQU-QGZVFWFLSA-N 2 1 342.487 2.346 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000609133425 469894562 /nfs/dbraw/zinc/89/45/62/469894562.db2.gz BOUKSSRDQOKENI-LJQANCHMSA-N 2 1 345.487 2.350 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634702349 470281861 /nfs/dbraw/zinc/28/18/61/470281861.db2.gz FSEYVUIIPMUMFC-NRFANRHFSA-N 2 1 343.515 2.254 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728125 782140736 /nfs/dbraw/zinc/14/07/36/782140736.db2.gz FDRMYYYAWJAUCK-VQTJNVASSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000369592923 526723812 /nfs/dbraw/zinc/72/38/12/526723812.db2.gz ROMADZJUUJNMNV-FQEVSTJZSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC=C)CC1 ZINC000969156569 674648443 /nfs/dbraw/zinc/64/84/43/674648443.db2.gz WURFZENIEQQTTH-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCCCC2)C1 ZINC000969865428 675266380 /nfs/dbraw/zinc/26/63/80/675266380.db2.gz NOZBTGHDZJKKKN-PXNSSMCTSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCCCC2)C1 ZINC000969865428 675266383 /nfs/dbraw/zinc/26/63/83/675266383.db2.gz NOZBTGHDZJKKKN-PXNSSMCTSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140242 675645129 /nfs/dbraw/zinc/64/51/29/675645129.db2.gz RDRLYVAGTNVMLC-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140242 675645135 /nfs/dbraw/zinc/64/51/35/675645135.db2.gz RDRLYVAGTNVMLC-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140242 675645138 /nfs/dbraw/zinc/64/51/38/675645138.db2.gz RDRLYVAGTNVMLC-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C[C@@H]1CCOC1 ZINC000261597996 676333589 /nfs/dbraw/zinc/33/35/89/676333589.db2.gz AGRATZDOGYDNJA-BBWFWOEESA-N 2 1 338.540 2.287 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023421590 679301148 /nfs/dbraw/zinc/30/11/48/679301148.db2.gz CWCMGWHCTSUQCU-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023421590 679301149 /nfs/dbraw/zinc/30/11/49/679301149.db2.gz CWCMGWHCTSUQCU-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023421590 679301150 /nfs/dbraw/zinc/30/11/50/679301150.db2.gz CWCMGWHCTSUQCU-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023421590 679301151 /nfs/dbraw/zinc/30/11/51/679301151.db2.gz CWCMGWHCTSUQCU-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023421590 679301152 /nfs/dbraw/zinc/30/11/52/679301152.db2.gz CWCMGWHCTSUQCU-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696399 679486695 /nfs/dbraw/zinc/48/66/95/679486695.db2.gz MFUQEFKOWFGRAN-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023696399 679486697 /nfs/dbraw/zinc/48/66/97/679486697.db2.gz MFUQEFKOWFGRAN-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023696399 679486698 /nfs/dbraw/zinc/48/66/98/679486698.db2.gz MFUQEFKOWFGRAN-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001024448693 679909416 /nfs/dbraw/zinc/90/94/16/679909416.db2.gz VTBZNZDACNGYTI-YJBOKZPZSA-N 2 1 345.491 2.337 20 30 EEEDMP CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479954 679962533 /nfs/dbraw/zinc/96/25/33/679962533.db2.gz VEMFNFZIBULIIH-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479954 679962535 /nfs/dbraw/zinc/96/25/35/679962535.db2.gz VEMFNFZIBULIIH-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479954 679962538 /nfs/dbraw/zinc/96/25/38/679962538.db2.gz VEMFNFZIBULIIH-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479954 679962541 /nfs/dbraw/zinc/96/25/41/679962541.db2.gz VEMFNFZIBULIIH-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479954 679962543 /nfs/dbraw/zinc/96/25/43/679962543.db2.gz VEMFNFZIBULIIH-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832373 681350702 /nfs/dbraw/zinc/35/07/02/681350702.db2.gz XOJKHAICKIDZTI-QGZVKYPTSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001028602137 681350854 /nfs/dbraw/zinc/35/08/54/681350854.db2.gz XXFDXRZRZYHCMP-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001028602137 681350859 /nfs/dbraw/zinc/35/08/59/681350859.db2.gz XXFDXRZRZYHCMP-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001028602137 681350863 /nfs/dbraw/zinc/35/08/63/681350863.db2.gz XXFDXRZRZYHCMP-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028602137 681350866 /nfs/dbraw/zinc/35/08/66/681350866.db2.gz XXFDXRZRZYHCMP-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028602137 681350870 /nfs/dbraw/zinc/35/08/70/681350870.db2.gz XXFDXRZRZYHCMP-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982834341 681357148 /nfs/dbraw/zinc/35/71/48/681357148.db2.gz WYIZLUWXMMHAQC-SESVDKBCSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC[C@H](C)F)CC1 ZINC001024811865 681463501 /nfs/dbraw/zinc/46/35/01/681463501.db2.gz CFYWSLCHWSSLFO-WMZOPIPTSA-N 2 1 337.483 2.050 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCn4c(C)ncc4C3)C[C@@]2(C)C1 ZINC000982558449 681648828 /nfs/dbraw/zinc/64/88/28/681648828.db2.gz ZXJLHANTBWGWGJ-FFZOFVMBSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@]2(C)C1 ZINC000982558449 681648834 /nfs/dbraw/zinc/64/88/34/681648834.db2.gz ZXJLHANTBWGWGJ-FFZOFVMBSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@]2(C)C1 ZINC000982558449 681648839 /nfs/dbraw/zinc/64/88/39/681648839.db2.gz ZXJLHANTBWGWGJ-FFZOFVMBSA-N 2 1 342.487 2.110 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982726234 682111965 /nfs/dbraw/zinc/11/19/65/682111965.db2.gz SVWMZHPRXUFFRJ-IZZBFERCSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@@]2(C)C1 ZINC000982775034 682173653 /nfs/dbraw/zinc/17/36/53/682173653.db2.gz SIIDGXHBOZUFGX-ZCNNSNEGSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@@]2(C)C1 ZINC000982775034 682173659 /nfs/dbraw/zinc/17/36/59/682173659.db2.gz SIIDGXHBOZUFGX-ZCNNSNEGSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@@]2(C)C1 ZINC000982775034 682173661 /nfs/dbraw/zinc/17/36/61/682173661.db2.gz SIIDGXHBOZUFGX-ZCNNSNEGSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]12 ZINC001026360561 684439300 /nfs/dbraw/zinc/43/93/00/684439300.db2.gz KZWBFTNRLJNORG-OWCLPIDISA-N 2 1 339.911 2.297 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001026550668 684735650 /nfs/dbraw/zinc/73/56/50/684735650.db2.gz SEKCJEGBLBQKGJ-KLAILNCOSA-N 2 1 330.476 2.347 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC001026605129 684782199 /nfs/dbraw/zinc/78/21/99/684782199.db2.gz DSUJZQYTTFMJJI-LMDPOFIKSA-N 2 1 340.471 2.027 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001027578536 693202561 /nfs/dbraw/zinc/20/25/61/693202561.db2.gz NCDTVWBNPCNVCE-PBHICJAKSA-N 2 1 348.516 2.383 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978318076 693494209 /nfs/dbraw/zinc/49/42/09/693494209.db2.gz GFBRENCNHSBJSD-NNZMDNLPSA-N 2 1 331.504 2.123 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577058 1188191220 /nfs/dbraw/zinc/19/12/20/1188191220.db2.gz PVMFZYRIWLQCED-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@H+](CC3(C[NH+](C)C)CCCC3)CC2)C1=O ZINC001273128432 1194411642 /nfs/dbraw/zinc/41/16/42/1194411642.db2.gz TVVCSLUNJJZBCE-OAQYLSRUSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034361039 1196148663 /nfs/dbraw/zinc/14/86/63/1196148663.db2.gz CMNLQIDXUKNKHL-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034361039 1196148667 /nfs/dbraw/zinc/14/86/67/1196148667.db2.gz CMNLQIDXUKNKHL-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034361039 1196148668 /nfs/dbraw/zinc/14/86/68/1196148668.db2.gz CMNLQIDXUKNKHL-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034361039 1196148671 /nfs/dbraw/zinc/14/86/71/1196148671.db2.gz CMNLQIDXUKNKHL-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034405079 1196197680 /nfs/dbraw/zinc/19/76/80/1196197680.db2.gz NWZNMRLYQPGYRR-FQEVSTJZSA-N 2 1 341.499 2.398 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001034610958 1196433196 /nfs/dbraw/zinc/43/31/96/1196433196.db2.gz HBSAAYMIAQLRGU-FHWLQOOXSA-N 2 1 340.471 2.169 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@H+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273143773 1197008576 /nfs/dbraw/zinc/00/85/76/1197008576.db2.gz KYSWIRYBRUMEMR-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001410393544 1197794949 /nfs/dbraw/zinc/79/49/49/1197794949.db2.gz VGVFVRJVZLBFAK-ZDUSSCGKSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1cccc(C#N)c1 ZINC001132266752 1199506131 /nfs/dbraw/zinc/50/61/31/1199506131.db2.gz ZQKXQEPGDMHCQP-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310908 1199562083 /nfs/dbraw/zinc/56/20/83/1199562083.db2.gz PYSCJVPASZINMF-AZUAARDMSA-N 2 1 341.499 2.153 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310908 1199562086 /nfs/dbraw/zinc/56/20/86/1199562086.db2.gz PYSCJVPASZINMF-AZUAARDMSA-N 2 1 341.499 2.153 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310908 1199562090 /nfs/dbraw/zinc/56/20/90/1199562090.db2.gz PYSCJVPASZINMF-AZUAARDMSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541575 1199837296 /nfs/dbraw/zinc/83/72/96/1199837296.db2.gz HMRUCSLHAFYJTP-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541575 1199837299 /nfs/dbraw/zinc/83/72/99/1199837299.db2.gz HMRUCSLHAFYJTP-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541575 1199837303 /nfs/dbraw/zinc/83/73/03/1199837303.db2.gz HMRUCSLHAFYJTP-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541575 1199837313 /nfs/dbraw/zinc/83/73/13/1199837313.db2.gz HMRUCSLHAFYJTP-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(C#N)cc1 ZINC001274920850 1205210323 /nfs/dbraw/zinc/21/03/23/1205210323.db2.gz QUTGKLCQNZEPRA-IHWFROFDSA-N 2 1 326.488 2.247 20 30 EEEDMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(C#N)cc1 ZINC001274920850 1205210324 /nfs/dbraw/zinc/21/03/24/1205210324.db2.gz QUTGKLCQNZEPRA-IHWFROFDSA-N 2 1 326.488 2.247 20 30 EEEDMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(C#N)cc1 ZINC001274920850 1205210326 /nfs/dbraw/zinc/21/03/26/1205210326.db2.gz QUTGKLCQNZEPRA-IHWFROFDSA-N 2 1 326.488 2.247 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c[nH]c3c1cccc3C#N)C2 ZINC001275367047 1205323872 /nfs/dbraw/zinc/32/38/72/1205323872.db2.gz HDMWQBWTKRUFGB-QAPCUYQASA-N 2 1 337.471 2.107 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@]23CCN(CCn2ccnc2)C3=O)cc1 ZINC001275588539 1205433589 /nfs/dbraw/zinc/43/35/89/1205433589.db2.gz CZDXKZAFLUUSDT-HXUWFJFHSA-N 2 1 349.438 2.022 20 30 EEEDMP N#Cc1ccc(CN2CCC[C@]23CCN(CCn2ccnc2)C3=O)cc1 ZINC001275588539 1205433590 /nfs/dbraw/zinc/43/35/90/1205433590.db2.gz CZDXKZAFLUUSDT-HXUWFJFHSA-N 2 1 349.438 2.022 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947536006 1208610574 /nfs/dbraw/zinc/61/05/74/1208610574.db2.gz BZPXCAQWULTTSB-CVEARBPZSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC000949124094 1209544673 /nfs/dbraw/zinc/54/46/73/1209544673.db2.gz PKTAMRHSJYZTLY-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001095813249 1210417716 /nfs/dbraw/zinc/41/77/16/1210417716.db2.gz LBBREAGEPMMZQK-HOJAQTOUSA-N 2 1 339.483 2.149 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518204 1212361639 /nfs/dbraw/zinc/36/16/39/1212361639.db2.gz DNXQJHUNLBCNCK-PIIMJCKOSA-N 2 1 331.504 2.408 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303899073 1213922959 /nfs/dbraw/zinc/92/29/59/1213922959.db2.gz VXNNPJZLSOOMEQ-YESZJQIVSA-N 3 1 337.556 2.132 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC000957579140 1215225704 /nfs/dbraw/zinc/22/57/04/1215225704.db2.gz HMTIHJXWOUFJQW-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957603064 1215248447 /nfs/dbraw/zinc/24/84/47/1215248447.db2.gz MRUAKDWLZPBGFF-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C[NH+](C)C ZINC000962778829 1216075056 /nfs/dbraw/zinc/07/50/56/1216075056.db2.gz QIDVYKBTTTZIMG-FVQHAEBGSA-N 2 1 333.863 2.161 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C[NH+](C)C ZINC000962778829 1216075061 /nfs/dbraw/zinc/07/50/61/1216075061.db2.gz QIDVYKBTTTZIMG-FVQHAEBGSA-N 2 1 333.863 2.161 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nc(C(C)(C)C)cs1 ZINC000304742350 1216102129 /nfs/dbraw/zinc/10/21/29/1216102129.db2.gz CPWCDGNWBHJYPX-ZDUSSCGKSA-N 2 1 337.537 2.372 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(Cl)c1 ZINC000304806856 1216106885 /nfs/dbraw/zinc/10/68/85/1216106885.db2.gz SOUUCKCCNRANDH-ZFWWWQNUSA-N 2 1 338.883 2.496 20 30 EEEDMP CC[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)Oc1cccc(F)c1 ZINC000304850389 1216109173 /nfs/dbraw/zinc/10/91/73/1216109173.db2.gz QTCNSVZULITZRF-CVEARBPZSA-N 2 1 336.455 2.372 20 30 EEEDMP CN1CC[NH+](Cc2ccc(CNC(=[NH2+])N3CCCCCC3)cc2)CC1 ZINC000305037922 1216132438 /nfs/dbraw/zinc/13/24/38/1216132438.db2.gz BULPBLSRPOHHGV-UHFFFAOYSA-N 2 1 343.519 2.125 20 30 EEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000960262690 1216458345 /nfs/dbraw/zinc/45/83/45/1216458345.db2.gz PFWNEDFEBYZGBC-CEXWTWQISA-N 2 1 327.472 2.417 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961206468 1217089053 /nfs/dbraw/zinc/08/90/53/1217089053.db2.gz DVLIUIKAYKMXEC-IAGOWNOFSA-N 2 1 336.439 2.142 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961407361 1217178548 /nfs/dbraw/zinc/17/85/48/1217178548.db2.gz XFQFYWYVDRDING-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961407361 1217178549 /nfs/dbraw/zinc/17/85/49/1217178549.db2.gz XFQFYWYVDRDING-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961407361 1217178550 /nfs/dbraw/zinc/17/85/50/1217178550.db2.gz XFQFYWYVDRDING-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961414284 1217180593 /nfs/dbraw/zinc/18/05/93/1217180593.db2.gz AXVDZNGMRAFLCW-FQEVSTJZSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963326915 1217522217 /nfs/dbraw/zinc/52/22/17/1217522217.db2.gz ZSAUSUGOGLDWOP-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC000963404027 1217600981 /nfs/dbraw/zinc/60/09/81/1217600981.db2.gz KUFJWGHHHYQYCR-HKUYNNGSSA-N 2 1 342.487 2.079 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000963419136 1217615435 /nfs/dbraw/zinc/61/54/35/1217615435.db2.gz CODLDDPGFSQUDH-FAFZWHIHSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401594 1220482892 /nfs/dbraw/zinc/48/28/92/1220482892.db2.gz DRWRWAGYQQMNOZ-WBVHZDCISA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401594 1220482896 /nfs/dbraw/zinc/48/28/96/1220482896.db2.gz DRWRWAGYQQMNOZ-WBVHZDCISA-N 2 1 330.476 2.165 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326764 1221211180 /nfs/dbraw/zinc/21/11/80/1221211180.db2.gz IOSUZJSHZIZACM-XLIONFOSSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(=C)C)CC[C@@H]2C)CC1 ZINC000968682359 1221487636 /nfs/dbraw/zinc/48/76/36/1221487636.db2.gz QBFOYEIAKNNFRQ-PKOBYXMFSA-N 2 1 331.504 2.124 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100949 1221808509 /nfs/dbraw/zinc/80/85/09/1221808509.db2.gz MOPFPFGIHQKBAJ-LJQANCHMSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016633714 1226708425 /nfs/dbraw/zinc/70/84/25/1226708425.db2.gz XHTQBWTYFZMDLP-RBSFLKMASA-N 2 1 325.884 2.050 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(CC)CC)CC2 ZINC001016670286 1226757570 /nfs/dbraw/zinc/75/75/70/1226757570.db2.gz PAZGAODLCPLFPE-RBUKOAKNSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(CC)CC)CC2 ZINC001016670286 1226757576 /nfs/dbraw/zinc/75/75/76/1226757576.db2.gz PAZGAODLCPLFPE-RBUKOAKNSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CCC=C)C2)CC1 ZINC001039134842 1230346437 /nfs/dbraw/zinc/34/64/37/1230346437.db2.gz VTUXBVSJYJXFAS-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CCC=C)C2)CC1 ZINC001039134842 1230346439 /nfs/dbraw/zinc/34/64/39/1230346439.db2.gz VTUXBVSJYJXFAS-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CCC=C)C2)CC1 ZINC001039134842 1230346445 /nfs/dbraw/zinc/34/64/45/1230346445.db2.gz VTUXBVSJYJXFAS-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CCC=C)C2)CC1 ZINC001039134842 1230346448 /nfs/dbraw/zinc/34/64/48/1230346448.db2.gz VTUXBVSJYJXFAS-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039163767 1230385291 /nfs/dbraw/zinc/38/52/91/1230385291.db2.gz AOGWUZDSWZQAEZ-IBGZPJMESA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244688 1230479430 /nfs/dbraw/zinc/47/94/30/1230479430.db2.gz YQRPYKMTFFGCHS-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244688 1230479433 /nfs/dbraw/zinc/47/94/33/1230479433.db2.gz YQRPYKMTFFGCHS-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001039249580 1230485844 /nfs/dbraw/zinc/48/58/44/1230485844.db2.gz CDFZPKSFDVLTPB-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039280978 1230506955 /nfs/dbraw/zinc/50/69/55/1230506955.db2.gz UDKGAUBSIGLSMK-QBUWPKIASA-N 2 1 331.504 2.099 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040242691 1231127177 /nfs/dbraw/zinc/12/71/77/1231127177.db2.gz ZSIFGGNUFUGJPN-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040242691 1231127180 /nfs/dbraw/zinc/12/71/80/1231127180.db2.gz ZSIFGGNUFUGJPN-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040242691 1231127183 /nfs/dbraw/zinc/12/71/83/1231127183.db2.gz ZSIFGGNUFUGJPN-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042205584 1231955708 /nfs/dbraw/zinc/95/57/08/1231955708.db2.gz XXARPRRXUZEXDV-DOTOQJQBSA-N 2 1 331.460 2.454 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042205584 1231955710 /nfs/dbraw/zinc/95/57/10/1231955710.db2.gz XXARPRRXUZEXDV-DOTOQJQBSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001045536812 1233799147 /nfs/dbraw/zinc/79/91/47/1233799147.db2.gz CYHCSBQEZQQMPI-INIZCTEOSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001045557110 1233816423 /nfs/dbraw/zinc/81/64/23/1233816423.db2.gz UNSCJEWRMSXNPU-INIZCTEOSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045937531 1234191217 /nfs/dbraw/zinc/19/12/17/1234191217.db2.gz FVTFUDXFXLQBPF-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045938522 1234193365 /nfs/dbraw/zinc/19/33/65/1234193365.db2.gz DNPHCPKSVIIMHB-QKNQBKEWSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938522 1234193366 /nfs/dbraw/zinc/19/33/66/1234193366.db2.gz DNPHCPKSVIIMHB-QKNQBKEWSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938522 1234193368 /nfs/dbraw/zinc/19/33/68/1234193368.db2.gz DNPHCPKSVIIMHB-QKNQBKEWSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970312 1234254163 /nfs/dbraw/zinc/25/41/63/1234254163.db2.gz DNUUAVMCPFXAFJ-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986071 1234282119 /nfs/dbraw/zinc/28/21/19/1234282119.db2.gz GRHNTRXORILWDG-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CCC)CC2)C1 ZINC001047244481 1235736498 /nfs/dbraw/zinc/73/64/98/1235736498.db2.gz SMMXWSOGABVSLH-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CCC)CC2)C1 ZINC001047244481 1235736504 /nfs/dbraw/zinc/73/65/04/1235736504.db2.gz SMMXWSOGABVSLH-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047245500 1235738790 /nfs/dbraw/zinc/73/87/90/1235738790.db2.gz ZHAUFBBCRVSVES-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048563031 1237971363 /nfs/dbraw/zinc/97/13/63/1237971363.db2.gz TXBOXQGUVDGXKB-BTYMGIQYSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048563031 1237971372 /nfs/dbraw/zinc/97/13/72/1237971372.db2.gz TXBOXQGUVDGXKB-BTYMGIQYSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048563031 1237971384 /nfs/dbraw/zinc/97/13/84/1237971384.db2.gz TXBOXQGUVDGXKB-BTYMGIQYSA-N 2 1 339.911 2.296 20 30 EEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(CC)CCO1)C2 ZINC001111433038 1241359054 /nfs/dbraw/zinc/35/90/54/1241359054.db2.gz MUOOOCZNPCYPLM-YRXWBPOGSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001111433038 1241359068 /nfs/dbraw/zinc/35/90/68/1241359068.db2.gz MUOOOCZNPCYPLM-YRXWBPOGSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001111433038 1241359082 /nfs/dbraw/zinc/35/90/82/1241359082.db2.gz MUOOOCZNPCYPLM-YRXWBPOGSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001111433038 1241359095 /nfs/dbraw/zinc/35/90/95/1241359095.db2.gz MUOOOCZNPCYPLM-YRXWBPOGSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001111433038 1241359107 /nfs/dbraw/zinc/35/91/07/1241359107.db2.gz MUOOOCZNPCYPLM-YRXWBPOGSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049719554 1241983571 /nfs/dbraw/zinc/98/35/71/1241983571.db2.gz MUPPQKOVGGDSNF-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050125444 1242931786 /nfs/dbraw/zinc/93/17/86/1242931786.db2.gz XYTUXAGXXQPEDJ-LUKYLMHMSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050125444 1242931792 /nfs/dbraw/zinc/93/17/92/1242931792.db2.gz XYTUXAGXXQPEDJ-LUKYLMHMSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050125444 1242931795 /nfs/dbraw/zinc/93/17/95/1242931795.db2.gz XYTUXAGXXQPEDJ-LUKYLMHMSA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050125444 1242931805 /nfs/dbraw/zinc/93/18/05/1242931805.db2.gz XYTUXAGXXQPEDJ-LUKYLMHMSA-N 2 1 339.911 2.392 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141912 1242968389 /nfs/dbraw/zinc/96/83/89/1242968389.db2.gz YIEAKRRXMHRCCP-FRQCXROJSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141912 1242968393 /nfs/dbraw/zinc/96/83/93/1242968393.db2.gz YIEAKRRXMHRCCP-FRQCXROJSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141912 1242968397 /nfs/dbraw/zinc/96/83/97/1242968397.db2.gz YIEAKRRXMHRCCP-FRQCXROJSA-N 2 1 337.483 2.308 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701489 1244783457 /nfs/dbraw/zinc/78/34/57/1244783457.db2.gz FPNQQMZAKUSXAH-QFBILLFUSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052701489 1244783464 /nfs/dbraw/zinc/78/34/64/1244783464.db2.gz FPNQQMZAKUSXAH-QFBILLFUSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052701489 1244783471 /nfs/dbraw/zinc/78/34/71/1244783471.db2.gz FPNQQMZAKUSXAH-QFBILLFUSA-N 2 1 337.483 2.193 20 30 EEEDMP C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC2CC2)CC1 ZINC001052988011 1245617128 /nfs/dbraw/zinc/61/71/28/1245617128.db2.gz UQVJDGXJNJBZOJ-LZQZEXGQSA-N 2 1 344.503 2.086 20 30 EEEDMP C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC2CC2)CC1 ZINC001052988011 1245617140 /nfs/dbraw/zinc/61/71/40/1245617140.db2.gz UQVJDGXJNJBZOJ-LZQZEXGQSA-N 2 1 344.503 2.086 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053034635 1245729416 /nfs/dbraw/zinc/72/94/16/1245729416.db2.gz XQRAJDRWJGQYBD-MSOLQXFVSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053034635 1245729420 /nfs/dbraw/zinc/72/94/20/1245729420.db2.gz XQRAJDRWJGQYBD-MSOLQXFVSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001053087556 1245866865 /nfs/dbraw/zinc/86/68/65/1245866865.db2.gz MFKGIFZTYPUTKK-SJLPKXTDSA-N 2 1 328.460 2.069 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001101543340 1245945726 /nfs/dbraw/zinc/94/57/26/1245945726.db2.gz CYYTUPLQQXEACR-ZWKOTPCHSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101548886 1245952481 /nfs/dbraw/zinc/95/24/81/1245952481.db2.gz PAXUGERLKMJGDG-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101548886 1245952489 /nfs/dbraw/zinc/95/24/89/1245952489.db2.gz PAXUGERLKMJGDG-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)cc2C1 ZINC001054266375 1247939892 /nfs/dbraw/zinc/93/98/92/1247939892.db2.gz VLXMLMTUJZWVQF-VQTJNVASSA-N 2 1 339.483 2.372 20 30 EEEDMP CC#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)cc2C1 ZINC001054266375 1247939904 /nfs/dbraw/zinc/93/99/04/1247939904.db2.gz VLXMLMTUJZWVQF-VQTJNVASSA-N 2 1 339.483 2.372 20 30 EEEDMP CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)cc2C1 ZINC001054266375 1247939913 /nfs/dbraw/zinc/93/99/13/1247939913.db2.gz VLXMLMTUJZWVQF-VQTJNVASSA-N 2 1 339.483 2.372 20 30 EEEDMP CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)cc2C1 ZINC001054266375 1247939922 /nfs/dbraw/zinc/93/99/22/1247939922.db2.gz VLXMLMTUJZWVQF-VQTJNVASSA-N 2 1 339.483 2.372 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001071689615 1254517006 /nfs/dbraw/zinc/51/70/06/1254517006.db2.gz NINVHNSBJDUQOC-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001071689615 1254517019 /nfs/dbraw/zinc/51/70/19/1254517019.db2.gz NINVHNSBJDUQOC-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099251178 1258036688 /nfs/dbraw/zinc/03/66/88/1258036688.db2.gz HCDYURYVSGAWTD-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099251178 1258036695 /nfs/dbraw/zinc/03/66/95/1258036695.db2.gz HCDYURYVSGAWTD-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099259472 1258045148 /nfs/dbraw/zinc/04/51/48/1258045148.db2.gz IFLLUVUTELBSLZ-RBSFLKMASA-N 2 1 347.425 2.416 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001491230665 1258832205 /nfs/dbraw/zinc/83/22/05/1258832205.db2.gz VSJXEZGASKPELN-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001491230665 1258832210 /nfs/dbraw/zinc/83/22/10/1258832210.db2.gz VSJXEZGASKPELN-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001491230665 1258832218 /nfs/dbraw/zinc/83/22/18/1258832218.db2.gz VSJXEZGASKPELN-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001491230665 1258832229 /nfs/dbraw/zinc/83/22/29/1258832229.db2.gz VSJXEZGASKPELN-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001187276708 1279472875 /nfs/dbraw/zinc/47/28/75/1279472875.db2.gz RONJIZZODLDTQB-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189772163 1280493273 /nfs/dbraw/zinc/49/32/73/1280493273.db2.gz XJFSQFULUXBAHX-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C[N@H+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190946971 1281142304 /nfs/dbraw/zinc/14/23/04/1281142304.db2.gz QCITULNZCQJQEB-WOJBJXKFSA-N 2 1 339.483 2.055 20 30 EEEDMP C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190946971 1281142310 /nfs/dbraw/zinc/14/23/10/1281142310.db2.gz QCITULNZCQJQEB-WOJBJXKFSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001190946971 1281142315 /nfs/dbraw/zinc/14/23/15/1281142315.db2.gz QCITULNZCQJQEB-WOJBJXKFSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001190946971 1281142320 /nfs/dbraw/zinc/14/23/20/1281142320.db2.gz QCITULNZCQJQEB-WOJBJXKFSA-N 2 1 339.483 2.055 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193290846 1282426621 /nfs/dbraw/zinc/42/66/21/1282426621.db2.gz FPCIMUJCSFHQMC-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193290846 1282426624 /nfs/dbraw/zinc/42/66/24/1282426624.db2.gz FPCIMUJCSFHQMC-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193290846 1282426628 /nfs/dbraw/zinc/42/66/28/1282426628.db2.gz FPCIMUJCSFHQMC-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001194119183 1282893348 /nfs/dbraw/zinc/89/33/48/1282893348.db2.gz QCWNWRKDDUNWEA-QZTJIDSGSA-N 2 1 344.459 2.308 20 30 EEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C12CCC2 ZINC001203175582 1284173165 /nfs/dbraw/zinc/17/31/65/1284173165.db2.gz CRFUEENEJOYDGG-ROUUACIJSA-N 2 1 342.487 2.355 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001203924954 1285488648 /nfs/dbraw/zinc/48/86/48/1285488648.db2.gz HYFRTFBFSZPFIX-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCCO1 ZINC001201639321 1289688272 /nfs/dbraw/zinc/68/82/72/1289688272.db2.gz IYYQUHVUBNKUQY-SFHVURJKSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)CCCO1 ZINC001201668979 1289707860 /nfs/dbraw/zinc/70/78/60/1289707860.db2.gz NVUXJCMEJBXMQP-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060174 1289894365 /nfs/dbraw/zinc/89/43/65/1289894365.db2.gz TYMOERPUAWEXOR-MSOLQXFVSA-N 2 1 339.524 2.116 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216081615 1297057456 /nfs/dbraw/zinc/05/74/56/1297057456.db2.gz JZZQXYJQWYSQDF-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073462327 1297096257 /nfs/dbraw/zinc/09/62/57/1297096257.db2.gz PTYZJADLZHLAQC-GOSISDBHSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073462327 1297096277 /nfs/dbraw/zinc/09/62/77/1297096277.db2.gz PTYZJADLZHLAQC-GOSISDBHSA-N 2 1 327.472 2.400 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001073748294 1297480787 /nfs/dbraw/zinc/48/07/87/1297480787.db2.gz CUYIWIMOQRIAND-QGZVFWFLSA-N 2 1 349.475 2.128 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001219949572 1298192539 /nfs/dbraw/zinc/19/25/39/1298192539.db2.gz KKHMHSUBZLKPPY-MSOLQXFVSA-N 2 1 344.459 2.080 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220740847 1298520772 /nfs/dbraw/zinc/52/07/72/1298520772.db2.gz UXJLEZGDENBDQK-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818231 1299110693 /nfs/dbraw/zinc/11/06/93/1299110693.db2.gz LSARDLKHHDRMHO-WOJBJXKFSA-N 2 1 341.499 2.270 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818231 1299110694 /nfs/dbraw/zinc/11/06/94/1299110694.db2.gz LSARDLKHHDRMHO-WOJBJXKFSA-N 2 1 341.499 2.270 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818231 1299110699 /nfs/dbraw/zinc/11/06/99/1299110699.db2.gz LSARDLKHHDRMHO-WOJBJXKFSA-N 2 1 341.499 2.270 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818231 1299110703 /nfs/dbraw/zinc/11/07/03/1299110703.db2.gz LSARDLKHHDRMHO-WOJBJXKFSA-N 2 1 341.499 2.270 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093832 1299348014 /nfs/dbraw/zinc/34/80/14/1299348014.db2.gz PREZWHSSACTQPB-RTBURBONSA-N 2 1 327.472 2.227 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093832 1299348025 /nfs/dbraw/zinc/34/80/25/1299348025.db2.gz PREZWHSSACTQPB-RTBURBONSA-N 2 1 327.472 2.227 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093832 1299348036 /nfs/dbraw/zinc/34/80/36/1299348036.db2.gz PREZWHSSACTQPB-RTBURBONSA-N 2 1 327.472 2.227 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093832 1299348046 /nfs/dbraw/zinc/34/80/46/1299348046.db2.gz PREZWHSSACTQPB-RTBURBONSA-N 2 1 327.472 2.227 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001491126763 1299617210 /nfs/dbraw/zinc/61/72/10/1299617210.db2.gz SPEBQUVIIGMEQM-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001491126763 1299617225 /nfs/dbraw/zinc/61/72/25/1299617225.db2.gz SPEBQUVIIGMEQM-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCCCCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001222682263 1299787035 /nfs/dbraw/zinc/78/70/35/1299787035.db2.gz KFPMAVWQZXHYMX-SFHVURJKSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001222682263 1299787042 /nfs/dbraw/zinc/78/70/42/1299787042.db2.gz KFPMAVWQZXHYMX-SFHVURJKSA-N 2 1 339.524 2.116 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428648 1301028066 /nfs/dbraw/zinc/02/80/66/1301028066.db2.gz NBUQKCBKVUVCBI-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428648 1301028074 /nfs/dbraw/zinc/02/80/74/1301028074.db2.gz NBUQKCBKVUVCBI-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083992 1302187375 /nfs/dbraw/zinc/18/73/75/1302187375.db2.gz SCXYQOSTSPTUMF-UKRRQHHQSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237339 1302558071 /nfs/dbraw/zinc/55/80/71/1302558071.db2.gz SREIYRATSVMYMU-HZPDHXFCSA-N 2 1 330.476 2.022 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237339 1302558080 /nfs/dbraw/zinc/55/80/80/1302558080.db2.gz SREIYRATSVMYMU-HZPDHXFCSA-N 2 1 330.476 2.022 20 30 EEEDMP C=C(C)CC[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001229616725 1302892250 /nfs/dbraw/zinc/89/22/50/1302892250.db2.gz REOCJEQXMFGHQU-UHFFFAOYSA-N 2 1 337.508 2.036 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001103750898 1303294836 /nfs/dbraw/zinc/29/48/36/1303294836.db2.gz UMPRIPVRINMTSN-YLJYHZDGSA-N 2 1 341.499 2.459 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116327 1304254817 /nfs/dbraw/zinc/25/48/17/1304254817.db2.gz XZXFWZUJEVHRPR-ZIAGYGMSSA-N 2 1 333.398 2.026 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC=C)C1 ZINC001112404051 1304526236 /nfs/dbraw/zinc/52/62/36/1304526236.db2.gz CFMDICOJNMYSJF-ZJOUEHCJSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC=C)C1 ZINC001112404051 1304526239 /nfs/dbraw/zinc/52/62/39/1304526239.db2.gz CFMDICOJNMYSJF-ZJOUEHCJSA-N 2 1 343.515 2.269 20 30 EEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593525 1305471648 /nfs/dbraw/zinc/47/16/48/1305471648.db2.gz MKGYWASSOIXSAA-IAGOWNOFSA-N 2 1 337.508 2.080 20 30 EEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593525 1305471659 /nfs/dbraw/zinc/47/16/59/1305471659.db2.gz MKGYWASSOIXSAA-IAGOWNOFSA-N 2 1 337.508 2.080 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120400646 1309510094 /nfs/dbraw/zinc/51/00/94/1309510094.db2.gz DOBZDYSLCWFOSU-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120400646 1309510102 /nfs/dbraw/zinc/51/01/02/1309510102.db2.gz DOBZDYSLCWFOSU-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120400646 1309510109 /nfs/dbraw/zinc/51/01/09/1309510109.db2.gz DOBZDYSLCWFOSU-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@H](C[NH3+])C3)CC2)cc1 ZINC001246584894 1310350453 /nfs/dbraw/zinc/35/04/53/1310350453.db2.gz WEKPRTWDJHQSDU-QGZVFWFLSA-N 2 1 340.471 2.224 20 30 EEEDMP COC(=O)[C@H]1C[C@@H]([NH3+])C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246798321 1310431919 /nfs/dbraw/zinc/43/19/19/1310431919.db2.gz ROFVWUKFHKTOHJ-CXUOOODFSA-N 2 1 341.455 2.407 20 30 EEEDMP COC(=O)[C@H]1C[C@@H]([NH3+])C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246798321 1310431927 /nfs/dbraw/zinc/43/19/27/1310431927.db2.gz ROFVWUKFHKTOHJ-CXUOOODFSA-N 2 1 341.455 2.407 20 30 EEEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001202973281 1314772020 /nfs/dbraw/zinc/77/20/20/1314772020.db2.gz DSRWXVHPZKUASO-UHFFFAOYSA-N 2 1 339.524 2.282 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828957 1316894612 /nfs/dbraw/zinc/89/46/12/1316894612.db2.gz VIFBZLACZASCDN-CQSZACIVSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023279 1317423386 /nfs/dbraw/zinc/42/33/86/1317423386.db2.gz CXOPMHABLPDPOT-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390762 1317992715 /nfs/dbraw/zinc/99/27/15/1317992715.db2.gz VNMZMGVSNFSMTN-QGZVFWFLSA-N 2 1 327.513 2.138 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086423 1318391272 /nfs/dbraw/zinc/39/12/72/1318391272.db2.gz SYFPBHMVCNSZFC-QGZVFWFLSA-N 2 1 347.503 2.391 20 30 EEEDMP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158040483 1318981473 /nfs/dbraw/zinc/98/14/73/1318981473.db2.gz XCJLMVULZCXGPJ-MOPGFXCFSA-N 2 1 340.471 2.029 20 30 EEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001158604916 1319328397 /nfs/dbraw/zinc/32/83/97/1319328397.db2.gz FUGYLPXACQVAMS-LJQANCHMSA-N 2 1 327.472 2.308 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161140375 1320399628 /nfs/dbraw/zinc/39/96/28/1320399628.db2.gz LKFQUJSSWAAWQH-MRXNPFEDSA-N 2 1 327.900 2.464 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161140375 1320399629 /nfs/dbraw/zinc/39/96/29/1320399629.db2.gz LKFQUJSSWAAWQH-MRXNPFEDSA-N 2 1 327.900 2.464 20 30 EEEDMP C=CCC[NH+]1CCC(CNC(=O)C(C)(C)[N@H+](C)CC)(COC)CC1 ZINC001162327042 1320822997 /nfs/dbraw/zinc/82/29/97/1320822997.db2.gz OAKWIHZVLIYWHU-UHFFFAOYSA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)CC1 ZINC001276472426 1322175050 /nfs/dbraw/zinc/17/50/50/1322175050.db2.gz MHYIBJQGNHXRBJ-GUDVDZBRSA-N 2 1 343.515 2.431 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206954775 1323741799 /nfs/dbraw/zinc/74/17/99/1323741799.db2.gz WKXDLDPQMYGFPJ-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001208330821 1324429708 /nfs/dbraw/zinc/42/97/08/1324429708.db2.gz GLHIZSFDYXYZDN-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001209202963 1324851537 /nfs/dbraw/zinc/85/15/37/1324851537.db2.gz SJGYHRPKCYXNFC-UHFFFAOYSA-N 2 1 330.476 2.401 20 30 EEEDMP C=CCCCC[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001209202963 1324851538 /nfs/dbraw/zinc/85/15/38/1324851538.db2.gz SJGYHRPKCYXNFC-UHFFFAOYSA-N 2 1 330.476 2.401 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001209631608 1324993978 /nfs/dbraw/zinc/99/39/78/1324993978.db2.gz FSPBPEGMDHTBFA-AZUAARDMSA-N 2 1 339.483 2.103 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001210788596 1325432882 /nfs/dbraw/zinc/43/28/82/1325432882.db2.gz GBOGRVQNJGUOQU-IBGZPJMESA-N 2 1 345.462 2.100 20 30 EEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100038389 1337948074 /nfs/dbraw/zinc/94/80/74/1337948074.db2.gz IWGVXDRPIVIRMY-ROUUACIJSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038389 1337948076 /nfs/dbraw/zinc/94/80/76/1337948076.db2.gz IWGVXDRPIVIRMY-ROUUACIJSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038389 1337948078 /nfs/dbraw/zinc/94/80/78/1337948078.db2.gz IWGVXDRPIVIRMY-ROUUACIJSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001574925293 1343712768 /nfs/dbraw/zinc/71/27/68/1343712768.db2.gz MKKXGOQULPYGOJ-ULQDDVLXSA-N 2 1 346.523 2.445 20 30 EEEDMP CC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001663392770 1354957046 /nfs/dbraw/zinc/95/70/46/1354957046.db2.gz BJPFYFHMHAIHIM-IBGZPJMESA-N 2 1 347.478 2.202 20 30 EEEDMP CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001663392770 1354957048 /nfs/dbraw/zinc/95/70/48/1354957048.db2.gz BJPFYFHMHAIHIM-IBGZPJMESA-N 2 1 347.478 2.202 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001201267430 1368800229 /nfs/dbraw/zinc/80/02/29/1368800229.db2.gz OBBQLLQZRDOINH-HXUWFJFHSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001121848293 1371928129 /nfs/dbraw/zinc/92/81/29/1371928129.db2.gz KMGYLIGPJFBFOY-UHFFFAOYSA-N 2 1 328.460 2.047 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752804035 1406423066 /nfs/dbraw/zinc/42/30/66/1406423066.db2.gz COJQGGHQIYHJTQ-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP C[NH+]1CCC(CC(=O)NCC2([NH2+]Cc3ccccc3C#N)CC2)CC1 ZINC001392940510 1390253057 /nfs/dbraw/zinc/25/30/57/1390253057.db2.gz HLPIGVPNIOKYKY-UHFFFAOYSA-N 2 1 340.471 2.029 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001392961022 1390261982 /nfs/dbraw/zinc/26/19/82/1390261982.db2.gz BZWWUROASGFBRG-CYBMUJFWSA-N 2 1 344.297 2.008 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001392961022 1390261986 /nfs/dbraw/zinc/26/19/86/1390261986.db2.gz BZWWUROASGFBRG-CYBMUJFWSA-N 2 1 344.297 2.008 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001393789261 1390543554 /nfs/dbraw/zinc/54/35/54/1390543554.db2.gz RDHWLUUFYBBDKO-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001393789261 1390543556 /nfs/dbraw/zinc/54/35/56/1390543556.db2.gz RDHWLUUFYBBDKO-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001393789261 1390543559 /nfs/dbraw/zinc/54/35/59/1390543559.db2.gz RDHWLUUFYBBDKO-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP CCCC[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001394208140 1390649378 /nfs/dbraw/zinc/64/93/78/1390649378.db2.gz TXDDZCDVGFUKGN-RHSMWYFYSA-N 2 1 348.516 2.479 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001401113091 1396947293 /nfs/dbraw/zinc/94/72/93/1396947293.db2.gz CQNMRFKEBUBWDD-CJNGLKHVSA-N 2 1 327.900 2.488 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001401260984 1397096334 /nfs/dbraw/zinc/09/63/34/1397096334.db2.gz YIIBTENEZAKBKO-ZDUSSCGKSA-N 2 1 333.823 2.070 20 30 EEEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)CO2 ZINC001755065054 1407073664 /nfs/dbraw/zinc/07/36/64/1407073664.db2.gz CMRQNHATADLGJM-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001576729766 1403601198 /nfs/dbraw/zinc/60/11/98/1403601198.db2.gz YDUKVBBLPCOKMX-OCCSQVGLSA-N 2 1 334.851 2.457 20 30 EEEDMP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001700669055 1405656107 /nfs/dbraw/zinc/65/61/07/1405656107.db2.gz IHBXESYASWVBHW-IEBWSBKVSA-N 2 1 327.472 2.007 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001755768666 1407828472 /nfs/dbraw/zinc/82/84/72/1407828472.db2.gz SRUAMHNRYWKYGN-ZFWWWQNUSA-N 2 1 347.425 2.273 20 30 EEEDMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC001772051599 1410025407 /nfs/dbraw/zinc/02/54/07/1410025407.db2.gz QZAZQMHHICPAQW-QZTJIDSGSA-N 2 1 345.487 2.202 20 30 EEEDMP C#CC1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000686823117 1410395553 /nfs/dbraw/zinc/39/55/53/1410395553.db2.gz ZWYHMHWQQOECLF-UHFFFAOYSA-N 2 1 339.483 2.242 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544484 1410728117 /nfs/dbraw/zinc/72/81/17/1410728117.db2.gz UOEBSQVOXAOJJP-GUDVDZBRSA-N 2 1 335.536 2.450 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112397167 1410896841 /nfs/dbraw/zinc/89/68/41/1410896841.db2.gz VMEANEJRMUPOIH-ZJOUEHCJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C/C=C/Cl)[C@@H]2CC)CC1 ZINC001087839147 782348766 /nfs/dbraw/zinc/34/87/66/782348766.db2.gz NKAXXRJEOPFWDG-OQRFJMDLSA-N 2 1 337.895 2.053 20 30 EEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104354111 759679000 /nfs/dbraw/zinc/67/90/00/759679000.db2.gz RXTGCNRXBHLATM-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CC=C)[C@@H]3C2(C)C)CC1 ZINC001087317319 761613544 /nfs/dbraw/zinc/61/35/44/761613544.db2.gz GRCCSJHQQZMVOB-OTWHNJEPSA-N 2 1 343.515 2.123 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942556291 782725151 /nfs/dbraw/zinc/72/51/51/782725151.db2.gz YTYBAXXTMUUSPH-DZGCQCFKSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942556291 782725161 /nfs/dbraw/zinc/72/51/61/782725161.db2.gz YTYBAXXTMUUSPH-DZGCQCFKSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088020430 782777428 /nfs/dbraw/zinc/77/74/28/782777428.db2.gz KXNLZWLUNCZLGQ-SJORKVTESA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088020430 782777429 /nfs/dbraw/zinc/77/74/29/782777429.db2.gz KXNLZWLUNCZLGQ-SJORKVTESA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088020430 782777431 /nfs/dbraw/zinc/77/74/31/782777431.db2.gz KXNLZWLUNCZLGQ-SJORKVTESA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001112529930 770345871 /nfs/dbraw/zinc/34/58/71/770345871.db2.gz VWHLKCMIBRWXNP-ZVZYQTTQSA-N 2 1 339.911 2.299 20 30 EEEDMP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001105412990 783026266 /nfs/dbraw/zinc/02/62/66/783026266.db2.gz HNNGCXIXSXBMLW-IRFCIJBXSA-N 2 1 341.499 2.463 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)[C@@H](C)C2)CC1 ZINC000948070198 773418696 /nfs/dbraw/zinc/41/86/96/773418696.db2.gz NQKIOKGJTHSBNE-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001108097550 783119318 /nfs/dbraw/zinc/11/93/18/783119318.db2.gz LWJWEGKJZNROFL-GOSISDBHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001108097550 783119324 /nfs/dbraw/zinc/11/93/24/783119324.db2.gz LWJWEGKJZNROFL-GOSISDBHSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980186585 774047901 /nfs/dbraw/zinc/04/79/01/774047901.db2.gz JXXUQLLOYOBGCS-OKZBNKHCSA-N 2 1 342.487 2.247 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980186585 774047906 /nfs/dbraw/zinc/04/79/06/774047906.db2.gz JXXUQLLOYOBGCS-OKZBNKHCSA-N 2 1 342.487 2.247 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000981456973 777444533 /nfs/dbraw/zinc/44/45/33/777444533.db2.gz HGWVVABEEOKLQE-LJQANCHMSA-N 2 1 340.471 2.077 20 30 EEEDMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001127685741 778863180 /nfs/dbraw/zinc/86/31/80/778863180.db2.gz RYXNORGKQGZBEG-ZDUSSCGKSA-N 2 1 345.472 2.236 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211721018 779724694 /nfs/dbraw/zinc/72/46/94/779724694.db2.gz WVWHDMWHGAZJRL-SLFFLAALSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041439348 779885774 /nfs/dbraw/zinc/88/57/74/779885774.db2.gz DMJYBTLYOMWJRB-QGZVFWFLSA-N 2 1 337.895 2.292 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041439348 779885782 /nfs/dbraw/zinc/88/57/82/779885782.db2.gz DMJYBTLYOMWJRB-QGZVFWFLSA-N 2 1 337.895 2.292 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197454 784032172 /nfs/dbraw/zinc/03/21/72/784032172.db2.gz ODMJWRLOBMONQR-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035197454 784032173 /nfs/dbraw/zinc/03/21/73/784032173.db2.gz ODMJWRLOBMONQR-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035197454 784032178 /nfs/dbraw/zinc/03/21/78/784032178.db2.gz ODMJWRLOBMONQR-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035239549 784161393 /nfs/dbraw/zinc/16/13/93/784161393.db2.gz ICYZNQUIWXBLLL-UHFFFAOYSA-N 2 1 339.483 2.310 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135975865 784924385 /nfs/dbraw/zinc/92/43/85/784924385.db2.gz DQQUNAQKWXTRHU-LSDHHAIUSA-N 2 1 348.466 2.412 20 30 EEEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC000995824004 785724921 /nfs/dbraw/zinc/72/49/21/785724921.db2.gz PJKFKMSUDURCHO-WMZOPIPTSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107408858 787158125 /nfs/dbraw/zinc/15/81/25/787158125.db2.gz HWFOEKPTFWDONA-YLJYHZDGSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001107640572 787976328 /nfs/dbraw/zinc/97/63/28/787976328.db2.gz XCJMCDBQRKDEMH-NLWGTHIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001107640572 787976338 /nfs/dbraw/zinc/97/63/38/787976338.db2.gz XCJMCDBQRKDEMH-NLWGTHIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001107640572 787976345 /nfs/dbraw/zinc/97/63/45/787976345.db2.gz XCJMCDBQRKDEMH-NLWGTHIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001107640572 787976351 /nfs/dbraw/zinc/97/63/51/787976351.db2.gz XCJMCDBQRKDEMH-NLWGTHIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997191291 789412529 /nfs/dbraw/zinc/41/25/29/789412529.db2.gz RAXPHCTZAMYJSP-IEBWSBKVSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000997367724 789739321 /nfs/dbraw/zinc/73/93/21/789739321.db2.gz JDAMOUZIFVNNGY-OAHLLOKOSA-N 2 1 339.443 2.284 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001146591040 791359969 /nfs/dbraw/zinc/35/99/69/791359969.db2.gz FQKAOYJTYFFHLF-CABCVRRESA-N 2 1 348.466 2.410 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001146593172 791363475 /nfs/dbraw/zinc/36/34/75/791363475.db2.gz OHKUUJCKXLMDDT-LSDHHAIUSA-N 2 1 348.466 2.410 20 30 EEEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001147347767 791793001 /nfs/dbraw/zinc/79/30/01/791793001.db2.gz DENDCRZSIXAFHF-CQSZACIVSA-N 2 1 346.313 2.255 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001148611754 792558876 /nfs/dbraw/zinc/55/88/76/792558876.db2.gz MDQBETLEADEQPN-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611754 792558889 /nfs/dbraw/zinc/55/88/89/792558889.db2.gz MDQBETLEADEQPN-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611754 792558896 /nfs/dbraw/zinc/55/88/96/792558896.db2.gz MDQBETLEADEQPN-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939107 793025858 /nfs/dbraw/zinc/02/58/58/793025858.db2.gz ILMONWTWTDGWIJ-BZSNNMDCSA-N 2 1 331.504 2.053 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC000999366654 794370434 /nfs/dbraw/zinc/37/04/34/794370434.db2.gz YVTBURDJOTWDFF-CQSZACIVSA-N 2 1 346.500 2.185 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907569 794427229 /nfs/dbraw/zinc/42/72/29/794427229.db2.gz PGNPOZHKTZOYJL-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907569 794427233 /nfs/dbraw/zinc/42/72/33/794427233.db2.gz PGNPOZHKTZOYJL-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907569 794427241 /nfs/dbraw/zinc/42/72/41/794427241.db2.gz PGNPOZHKTZOYJL-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=C)C)CC3)CC1 ZINC000992510055 794454202 /nfs/dbraw/zinc/45/42/02/794454202.db2.gz OJENNPQOPALIDL-QUCCMNQESA-N 2 1 329.488 2.021 20 30 EEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089944111 795004903 /nfs/dbraw/zinc/00/49/03/795004903.db2.gz YLBUXMIEFAEAAC-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089944111 795004910 /nfs/dbraw/zinc/00/49/10/795004910.db2.gz YLBUXMIEFAEAAC-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944111 795004918 /nfs/dbraw/zinc/00/49/18/795004918.db2.gz YLBUXMIEFAEAAC-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944111 795004924 /nfs/dbraw/zinc/00/49/24/795004924.db2.gz YLBUXMIEFAEAAC-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001106156601 795130537 /nfs/dbraw/zinc/13/05/37/795130537.db2.gz FZNZKLKQAMEHEY-IIDMSEBBSA-N 2 1 345.491 2.050 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001106156601 795130542 /nfs/dbraw/zinc/13/05/42/795130542.db2.gz FZNZKLKQAMEHEY-IIDMSEBBSA-N 2 1 345.491 2.050 20 30 EEEDMP CC#CC[NH2+]CC1(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001168462770 795190754 /nfs/dbraw/zinc/19/07/54/795190754.db2.gz FIPVYIOZEWHQCB-UHFFFAOYSA-N 2 1 327.472 2.018 20 30 EEEDMP CC#CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001168462770 795190759 /nfs/dbraw/zinc/19/07/59/795190759.db2.gz FIPVYIOZEWHQCB-UHFFFAOYSA-N 2 1 327.472 2.018 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC001094509853 796337718 /nfs/dbraw/zinc/33/77/18/796337718.db2.gz NXZTVFDJIZECSK-YVWKXTFCSA-N 2 1 342.487 2.301 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC001094509853 796337723 /nfs/dbraw/zinc/33/77/23/796337723.db2.gz NXZTVFDJIZECSK-YVWKXTFCSA-N 2 1 342.487 2.301 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001099276226 796635662 /nfs/dbraw/zinc/63/56/62/796635662.db2.gz PIZTYCTWKNYKLM-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001172498949 797009196 /nfs/dbraw/zinc/00/91/96/797009196.db2.gz PNHDNJIVCGLSIR-VAMGGRTRSA-N 2 1 348.535 2.330 20 30 EEEDMP C[C@H](CCCC#N)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001172498949 797009200 /nfs/dbraw/zinc/00/92/00/797009200.db2.gz PNHDNJIVCGLSIR-VAMGGRTRSA-N 2 1 348.535 2.330 20 30 EEEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001172498949 797009206 /nfs/dbraw/zinc/00/92/06/797009206.db2.gz PNHDNJIVCGLSIR-VAMGGRTRSA-N 2 1 348.535 2.330 20 30 EEEDMP C=CCNC(=S)N[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000915942736 797460588 /nfs/dbraw/zinc/46/05/88/797460588.db2.gz HCTYIYHDVHFAIZ-UHFFFAOYSA-N 2 1 345.516 2.201 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001002036760 797499083 /nfs/dbraw/zinc/49/90/83/797499083.db2.gz KSSBJGWGVYPISJ-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001082699658 797650889 /nfs/dbraw/zinc/65/08/89/797650889.db2.gz NRHPTXKGDKZOAE-VNQPRFMTSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084664538 798352779 /nfs/dbraw/zinc/35/27/79/798352779.db2.gz BOJSXVOQAJUBKA-RTBURBONSA-N 2 1 327.472 2.123 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)ncc4C3)[C@@H]2C1 ZINC001084663607 798354668 /nfs/dbraw/zinc/35/46/68/798354668.db2.gz KQSVTACJYZPYEZ-YQVWRLOYSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001084663607 798354673 /nfs/dbraw/zinc/35/46/73/798354673.db2.gz KQSVTACJYZPYEZ-YQVWRLOYSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001084663607 798354678 /nfs/dbraw/zinc/35/46/78/798354678.db2.gz KQSVTACJYZPYEZ-YQVWRLOYSA-N 2 1 342.487 2.253 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958109 798577931 /nfs/dbraw/zinc/57/79/31/798577931.db2.gz LTZOKCZZCMVWMY-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958109 798577933 /nfs/dbraw/zinc/57/79/33/798577933.db2.gz LTZOKCZZCMVWMY-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958109 798577935 /nfs/dbraw/zinc/57/79/35/798577935.db2.gz LTZOKCZZCMVWMY-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001177316787 798855472 /nfs/dbraw/zinc/85/54/72/798855472.db2.gz GZCDYPOSVOVRES-WOJBJXKFSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001150794483 799445822 /nfs/dbraw/zinc/44/58/22/799445822.db2.gz KQLSDLAICSWIPA-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001150794483 799445825 /nfs/dbraw/zinc/44/58/25/799445825.db2.gz KQLSDLAICSWIPA-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001150794483 799445828 /nfs/dbraw/zinc/44/58/28/799445828.db2.gz KQLSDLAICSWIPA-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001179371272 799903702 /nfs/dbraw/zinc/90/37/02/799903702.db2.gz OBLORMNGIQVABL-GOSISDBHSA-N 2 1 339.524 2.328 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001182346418 801129513 /nfs/dbraw/zinc/12/95/13/801129513.db2.gz OSRBXSKMTVOBSS-SLYNCCJLSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001183575248 801655601 /nfs/dbraw/zinc/65/56/01/801655601.db2.gz LWJAFKINFGMPRF-WIYYLYMNSA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001183575248 801655604 /nfs/dbraw/zinc/65/56/04/801655604.db2.gz LWJAFKINFGMPRF-WIYYLYMNSA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004455731 802114722 /nfs/dbraw/zinc/11/47/22/802114722.db2.gz ABTJMHCTLHEWEO-RBUKOAKNSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004460545 802129373 /nfs/dbraw/zinc/12/93/73/802129373.db2.gz ZUELVBLWEMCCMB-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004460545 802129375 /nfs/dbraw/zinc/12/93/75/802129375.db2.gz ZUELVBLWEMCCMB-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004460545 802129378 /nfs/dbraw/zinc/12/93/78/802129378.db2.gz ZUELVBLWEMCCMB-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004478927 802182544 /nfs/dbraw/zinc/18/25/44/802182544.db2.gz ZAVDJSUIYWRWBA-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C=CCCCCC[NH+]1CCO[C@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001108324467 803315095 /nfs/dbraw/zinc/31/50/95/803315095.db2.gz XAGJHMCJTSKCRJ-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108324467 803315101 /nfs/dbraw/zinc/31/51/01/803315101.db2.gz XAGJHMCJTSKCRJ-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108324467 803315108 /nfs/dbraw/zinc/31/51/08/803315108.db2.gz XAGJHMCJTSKCRJ-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001108835851 804579700 /nfs/dbraw/zinc/57/97/00/804579700.db2.gz DPYHNACHKVZPMV-UFYCRDLUSA-N 2 1 339.483 2.111 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001108835851 804579705 /nfs/dbraw/zinc/57/97/05/804579705.db2.gz DPYHNACHKVZPMV-UFYCRDLUSA-N 2 1 339.483 2.111 20 30 EEEDMP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001438225320 1090704800 /nfs/dbraw/zinc/70/48/00/1090704800.db2.gz APWMUXCDMHGRQJ-GOSISDBHSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001438225320 1090704805 /nfs/dbraw/zinc/70/48/05/1090704805.db2.gz APWMUXCDMHGRQJ-GOSISDBHSA-N 2 1 340.471 2.075 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1C ZINC001448975511 1093979315 /nfs/dbraw/zinc/97/93/15/1093979315.db2.gz IFLNENKKYIAPAQ-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC001442977008 1097400526 /nfs/dbraw/zinc/40/05/26/1097400526.db2.gz ZIIAACPYBUYHGS-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2C#N)C1 ZINC001446594666 1101087504 /nfs/dbraw/zinc/08/75/04/1101087504.db2.gz BNOHSHSYRSWWBZ-FQEVSTJZSA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)CCC)CC2 ZINC001495602509 1101313290 /nfs/dbraw/zinc/31/32/90/1101313290.db2.gz MTKPRSKROFGJDG-UHFFFAOYSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCC)CC2 ZINC001495602509 1101313306 /nfs/dbraw/zinc/31/33/06/1101313306.db2.gz MTKPRSKROFGJDG-UHFFFAOYSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCC)CC2 ZINC001495602509 1101313322 /nfs/dbraw/zinc/31/33/22/1101313322.db2.gz MTKPRSKROFGJDG-UHFFFAOYSA-N 2 1 327.900 2.395 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2C#N)CCC1 ZINC001502014965 1113559075 /nfs/dbraw/zinc/55/90/75/1113559075.db2.gz SMJQTBYDMIVLQI-UHFFFAOYSA-N 2 1 328.460 2.029 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001502142867 1113614315 /nfs/dbraw/zinc/61/43/15/1113614315.db2.gz KSPQHUXYPKYKMP-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001502142867 1113614317 /nfs/dbraw/zinc/61/43/17/1113614317.db2.gz KSPQHUXYPKYKMP-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001502142867 1113614319 /nfs/dbraw/zinc/61/43/19/1113614319.db2.gz KSPQHUXYPKYKMP-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000491450700 246036790 /nfs/dbraw/zinc/03/67/90/246036790.db2.gz BNUVBEHMWBAJBK-KRWDZBQOSA-N 2 1 327.472 2.290 20 30 EEEDMP C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000581370193 324239148 /nfs/dbraw/zinc/23/91/48/324239148.db2.gz MIHNUYAQUYOCKW-HOCLYGCPSA-N 2 1 338.459 2.344 20 30 EEEDMP C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000581370193 324239153 /nfs/dbraw/zinc/23/91/53/324239153.db2.gz MIHNUYAQUYOCKW-HOCLYGCPSA-N 2 1 338.459 2.344 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000358819599 465340898 /nfs/dbraw/zinc/34/08/98/465340898.db2.gz QWFLNOWXPUWPDH-UHFFFAOYSA-N 2 1 342.487 2.164 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000074877116 462648942 /nfs/dbraw/zinc/64/89/42/462648942.db2.gz GBYZBKKPDQKHID-GOSISDBHSA-N 2 1 348.535 2.400 20 30 EEEDMP C=C(C)[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)OCC ZINC000535880811 468336794 /nfs/dbraw/zinc/33/67/94/468336794.db2.gz QYPYKHRJNHEXAW-KRWDZBQOSA-N 2 1 332.448 2.143 20 30 EEEDMP C=CCN(CCC#N)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000521897815 468338929 /nfs/dbraw/zinc/33/89/29/468338929.db2.gz ITQPPRYWVWIXMM-UHFFFAOYSA-N 2 1 332.492 2.111 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911806 463741028 /nfs/dbraw/zinc/74/10/28/463741028.db2.gz VDQDPKDRDAFXDE-LJQANCHMSA-N 3 1 343.519 2.171 20 30 EEEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000268953794 463823537 /nfs/dbraw/zinc/82/35/37/463823537.db2.gz FQHZJVKNJZIKES-RBUKOAKNSA-N 2 1 328.456 2.166 20 30 EEEDMP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261994248 463920392 /nfs/dbraw/zinc/92/03/92/463920392.db2.gz RZYDKMHEFVMWHE-WUTPFUBCSA-N 2 1 338.499 2.220 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000171871066 463940270 /nfs/dbraw/zinc/94/02/70/463940270.db2.gz PMHNTXUIEDPMEB-INIZCTEOSA-N 2 1 327.472 2.200 20 30 EEEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc(C#N)ccc1Cl ZINC000285670760 464651647 /nfs/dbraw/zinc/65/16/47/464651647.db2.gz UEMYXMUSCUGEIQ-UHFFFAOYSA-N 2 1 348.878 2.310 20 30 EEEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274829510 464757042 /nfs/dbraw/zinc/75/70/42/464757042.db2.gz LRDSQYPDTPBOIH-PKOBYXMFSA-N 2 1 342.487 2.249 20 30 EEEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274829510 464757046 /nfs/dbraw/zinc/75/70/46/464757046.db2.gz LRDSQYPDTPBOIH-PKOBYXMFSA-N 2 1 342.487 2.249 20 30 EEEDMP C#CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371469780 465815495 /nfs/dbraw/zinc/81/54/95/465815495.db2.gz GPXHCPAHAFFFAD-MISYRCLQSA-N 2 1 328.456 2.382 20 30 EEEDMP C#CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371469780 465815499 /nfs/dbraw/zinc/81/54/99/465815499.db2.gz GPXHCPAHAFFFAD-MISYRCLQSA-N 2 1 328.456 2.382 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(OC)c(C#N)c1 ZINC000349042825 465936687 /nfs/dbraw/zinc/93/66/87/465936687.db2.gz WNNJXEHBYIQBAF-IBGZPJMESA-N 2 1 344.503 2.415 20 30 EEEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc[nH+]1 ZINC000331864353 466281766 /nfs/dbraw/zinc/28/17/66/466281766.db2.gz JDKXBEXVCGTMCS-QXSJWSMHSA-N 2 1 346.454 2.131 20 30 EEEDMP CC1(C)CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424139260 466988449 /nfs/dbraw/zinc/98/84/49/466988449.db2.gz ABJFKGYWORLEPI-KRWDZBQOSA-N 2 1 328.460 2.131 20 30 EEEDMP CC1(C)CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424139260 466988453 /nfs/dbraw/zinc/98/84/53/466988453.db2.gz ABJFKGYWORLEPI-KRWDZBQOSA-N 2 1 328.460 2.131 20 30 EEEDMP C[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1C ZINC000433325384 467319037 /nfs/dbraw/zinc/31/90/37/467319037.db2.gz GDCAHINOKAXERP-CRAIPNDOSA-N 2 1 338.459 2.431 20 30 EEEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453179293 467466418 /nfs/dbraw/zinc/46/64/18/467466418.db2.gz IWGFMDOUVFINOF-GUDVDZBRSA-N 2 1 327.472 2.321 20 30 EEEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453179293 467466420 /nfs/dbraw/zinc/46/64/20/467466420.db2.gz IWGFMDOUVFINOF-GUDVDZBRSA-N 2 1 327.472 2.321 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527378090 467660399 /nfs/dbraw/zinc/66/03/99/467660399.db2.gz KHTSXSMYZFLDIK-AEFFLSMTSA-N 2 1 340.471 2.049 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527378090 467660404 /nfs/dbraw/zinc/66/04/04/467660404.db2.gz KHTSXSMYZFLDIK-AEFFLSMTSA-N 2 1 340.471 2.049 20 30 EEEDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602511376 469344786 /nfs/dbraw/zinc/34/47/86/469344786.db2.gz QVWMZNAXTHABTQ-GOSISDBHSA-N 2 1 336.524 2.093 20 30 EEEDMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1C#N ZINC000618594221 469398765 /nfs/dbraw/zinc/39/87/65/469398765.db2.gz SFAIPDLGNCURHZ-HXUWFJFHSA-N 2 1 326.488 2.467 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000644531768 470974777 /nfs/dbraw/zinc/97/47/77/470974777.db2.gz IQQKJPNTEOHUTG-APWZRJJASA-N 2 1 330.472 2.229 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087727467 782140083 /nfs/dbraw/zinc/14/00/83/782140083.db2.gz ZFCWURKGKZMBDM-DAYGRLMNSA-N 2 1 325.472 2.354 20 30 EEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087727467 782140093 /nfs/dbraw/zinc/14/00/93/782140093.db2.gz ZFCWURKGKZMBDM-DAYGRLMNSA-N 2 1 325.472 2.354 20 30 EEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087727467 782140104 /nfs/dbraw/zinc/14/01/04/782140104.db2.gz ZFCWURKGKZMBDM-DAYGRLMNSA-N 2 1 325.472 2.354 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000371085293 526439775 /nfs/dbraw/zinc/43/97/75/526439775.db2.gz GSOVUUAIYFROFE-SFHVURJKSA-N 2 1 328.460 2.123 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000371085293 526439777 /nfs/dbraw/zinc/43/97/77/526439777.db2.gz GSOVUUAIYFROFE-SFHVURJKSA-N 2 1 328.460 2.123 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000106328050 526590944 /nfs/dbraw/zinc/59/09/44/526590944.db2.gz WXOSNLVZEDBLQP-MRXNPFEDSA-N 2 1 334.464 2.222 20 30 EEEDMP CC(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000104174068 528973525 /nfs/dbraw/zinc/97/35/25/528973525.db2.gz AIUAJBAEWVOKGA-SFHVURJKSA-N 2 1 332.492 2.053 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000971778411 676789314 /nfs/dbraw/zinc/78/93/14/676789314.db2.gz NXDFRXQMVKKRGL-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000971778411 676789317 /nfs/dbraw/zinc/78/93/17/676789317.db2.gz NXDFRXQMVKKRGL-HNNXBMFYSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000730098074 576714508 /nfs/dbraw/zinc/71/45/08/576714508.db2.gz UFCUUEAZMLMERU-IRXDYDNUSA-N 2 1 333.501 2.345 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000730098074 576714510 /nfs/dbraw/zinc/71/45/10/576714510.db2.gz UFCUUEAZMLMERU-IRXDYDNUSA-N 2 1 333.501 2.345 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214813 676157889 /nfs/dbraw/zinc/15/78/89/676157889.db2.gz QHFHIIAIVPORCU-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214813 676157890 /nfs/dbraw/zinc/15/78/90/676157890.db2.gz QHFHIIAIVPORCU-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039214813 676157891 /nfs/dbraw/zinc/15/78/91/676157891.db2.gz QHFHIIAIVPORCU-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620340 676274850 /nfs/dbraw/zinc/27/48/50/676274850.db2.gz RWJAVSJINQRECP-CRAIPNDOSA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620340 676274851 /nfs/dbraw/zinc/27/48/51/676274851.db2.gz RWJAVSJINQRECP-CRAIPNDOSA-N 2 1 346.475 2.239 20 30 EEEDMP COCC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000104173062 678006161 /nfs/dbraw/zinc/00/61/61/678006161.db2.gz PVHILUUECJHLOT-UHFFFAOYSA-N 2 1 348.369 2.280 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022746965 678401065 /nfs/dbraw/zinc/40/10/65/678401065.db2.gz UFNQSZZGDOTLIE-HCXYKTFWSA-N 2 1 327.472 2.145 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972372792 678620742 /nfs/dbraw/zinc/62/07/42/678620742.db2.gz DCNOGMQXDPRHNP-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972372792 678620744 /nfs/dbraw/zinc/62/07/44/678620744.db2.gz DCNOGMQXDPRHNP-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972372792 678620745 /nfs/dbraw/zinc/62/07/45/678620745.db2.gz DCNOGMQXDPRHNP-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556760 679377092 /nfs/dbraw/zinc/37/70/92/679377092.db2.gz QBGJCHQWEILIEF-IAGOWNOFSA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556760 679377095 /nfs/dbraw/zinc/37/70/95/679377095.db2.gz QBGJCHQWEILIEF-IAGOWNOFSA-N 2 1 330.476 2.158 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024570201 681211945 /nfs/dbraw/zinc/21/19/45/681211945.db2.gz JUEJFRLSOLRNSD-GOSISDBHSA-N 2 1 327.472 2.008 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028604309 681361963 /nfs/dbraw/zinc/36/19/63/681361963.db2.gz UQDOESUGCUQKAB-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028604309 681361967 /nfs/dbraw/zinc/36/19/67/681361967.db2.gz UQDOESUGCUQKAB-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028604309 681361971 /nfs/dbraw/zinc/36/19/71/681361971.db2.gz UQDOESUGCUQKAB-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028604309 681361975 /nfs/dbraw/zinc/36/19/75/681361975.db2.gz UQDOESUGCUQKAB-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750364 681413225 /nfs/dbraw/zinc/41/32/25/681413225.db2.gz PTWWRCDXTZDFBN-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246950 682316108 /nfs/dbraw/zinc/31/61/08/682316108.db2.gz HWQJXJUCLDEULF-RTBURBONSA-N 2 1 343.515 2.484 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258049 682336323 /nfs/dbraw/zinc/33/63/23/682336323.db2.gz CHBYXQGETCWWDY-ZWKOTPCHSA-N 2 1 343.471 2.434 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261943106 682513299 /nfs/dbraw/zinc/51/32/99/682513299.db2.gz DZBQZKPSIVHXHL-PKOBYXMFSA-N 2 1 336.524 2.042 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974864734 685639643 /nfs/dbraw/zinc/63/96/43/685639643.db2.gz QWBCSFGCFHVHTO-LJQANCHMSA-N 2 1 341.499 2.254 20 30 EEEDMP C[C@H]1C[N@@H+](CCOc2ccc(CCNC3=[NH+]CCN3C)cc2)C[C@H]1C ZINC000262638346 687693616 /nfs/dbraw/zinc/69/36/16/687693616.db2.gz HDJPGODMDNQPAI-CALCHBBNSA-N 2 1 344.503 2.087 20 30 EEEDMP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986354629 688504638 /nfs/dbraw/zinc/50/46/38/688504638.db2.gz KRNINLCMHCCXNG-HNAYVOBHSA-N 2 1 340.471 2.122 20 30 EEEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240287 692050016 /nfs/dbraw/zinc/05/00/16/692050016.db2.gz DXJVNWMVFNWNMS-UYAOXDASSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240287 692050018 /nfs/dbraw/zinc/05/00/18/692050018.db2.gz DXJVNWMVFNWNMS-UYAOXDASSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240287 692050022 /nfs/dbraw/zinc/05/00/22/692050022.db2.gz DXJVNWMVFNWNMS-UYAOXDASSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577099 693160094 /nfs/dbraw/zinc/16/00/94/693160094.db2.gz DNKIQZODPWNYST-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577099 693160095 /nfs/dbraw/zinc/16/00/95/693160095.db2.gz DNKIQZODPWNYST-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001088381415 1186747494 /nfs/dbraw/zinc/74/74/94/1186747494.db2.gz DNJSCTDUUPSDIG-APWZRJJASA-N 2 1 337.483 2.193 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075905927 1187499386 /nfs/dbraw/zinc/49/93/86/1187499386.db2.gz BQBFBNMBBPTCDG-ARFHVFGLSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075905927 1187499390 /nfs/dbraw/zinc/49/93/90/1187499390.db2.gz BQBFBNMBBPTCDG-ARFHVFGLSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075905927 1187499394 /nfs/dbraw/zinc/49/93/94/1187499394.db2.gz BQBFBNMBBPTCDG-ARFHVFGLSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075905927 1187499396 /nfs/dbraw/zinc/49/93/96/1187499396.db2.gz BQBFBNMBBPTCDG-ARFHVFGLSA-N 2 1 325.884 2.146 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001482693565 1187660813 /nfs/dbraw/zinc/66/08/13/1187660813.db2.gz LDIFICZKAXLTDO-OALUTQOASA-N 2 1 342.487 2.275 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001018166512 1224418229 /nfs/dbraw/zinc/41/82/29/1224418229.db2.gz SHFNYDLPVWFZEW-OTWHNJEPSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001018166512 1224418234 /nfs/dbraw/zinc/41/82/34/1224418234.db2.gz SHFNYDLPVWFZEW-OTWHNJEPSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001018166512 1224418238 /nfs/dbraw/zinc/41/82/38/1224418238.db2.gz SHFNYDLPVWFZEW-OTWHNJEPSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001018166512 1224418242 /nfs/dbraw/zinc/41/82/42/1224418242.db2.gz SHFNYDLPVWFZEW-OTWHNJEPSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202225 1199446254 /nfs/dbraw/zinc/44/62/54/1199446254.db2.gz DYGGRLMYFDIXAI-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1cccc(C#N)c1 ZINC001132266753 1199505803 /nfs/dbraw/zinc/50/58/03/1199505803.db2.gz ZQKXQEPGDMHCQP-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC#Cc1ccccc1 ZINC001132269530 1199508479 /nfs/dbraw/zinc/50/84/79/1199508479.db2.gz LKIDOMRLQQMKGZ-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC#Cc1ccccc1 ZINC001132269530 1199508489 /nfs/dbraw/zinc/50/84/89/1199508489.db2.gz LKIDOMRLQQMKGZ-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001132273827 1199521961 /nfs/dbraw/zinc/52/19/61/1199521961.db2.gz KPBNLGLIJVUQBV-RHSMWYFYSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001132273827 1199521964 /nfs/dbraw/zinc/52/19/64/1199521964.db2.gz KPBNLGLIJVUQBV-RHSMWYFYSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887761 1200154390 /nfs/dbraw/zinc/15/43/90/1200154390.db2.gz HUWGTQIVSBZGRT-ZFWWWQNUSA-N 2 1 327.900 2.297 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133147416 1200520566 /nfs/dbraw/zinc/52/05/66/1200520566.db2.gz SUQHLTJVCLMRGA-MSOLQXFVSA-N 2 1 344.503 2.494 20 30 EEEDMP COCCC[NH+]1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001274940109 1205210644 /nfs/dbraw/zinc/21/06/44/1205210644.db2.gz UGGGSGALXNKHEQ-UHFFFAOYSA-N 2 1 330.476 2.221 20 30 EEEDMP N#Cc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)n1 ZINC001275605431 1205440773 /nfs/dbraw/zinc/44/07/73/1205440773.db2.gz KCESHIRRQIUJFO-UHFFFAOYSA-N 2 1 336.443 2.164 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001275786438 1205526964 /nfs/dbraw/zinc/52/69/64/1205526964.db2.gz NHCHMHZUQSXCQP-PMACEKPBSA-N 2 1 337.471 2.250 20 30 EEEDMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000948038957 1208834130 /nfs/dbraw/zinc/83/41/30/1208834130.db2.gz CRAMYVLGSUMCNQ-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948710370 1209316415 /nfs/dbraw/zinc/31/64/15/1209316415.db2.gz APNZYKIKCKVGSJ-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710370 1209316419 /nfs/dbraw/zinc/31/64/19/1209316419.db2.gz APNZYKIKCKVGSJ-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710370 1209316422 /nfs/dbraw/zinc/31/64/22/1209316422.db2.gz APNZYKIKCKVGSJ-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726585 1209329672 /nfs/dbraw/zinc/32/96/72/1209329672.db2.gz VFVSBKAZCQZOHU-KRWDZBQOSA-N 2 1 331.460 2.291 20 30 EEEDMP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948986121 1209490750 /nfs/dbraw/zinc/49/07/50/1209490750.db2.gz IOSQJUHCNSHNEQ-IEBWSBKVSA-N 2 1 327.472 2.230 20 30 EEEDMP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948986121 1209490751 /nfs/dbraw/zinc/49/07/51/1209490751.db2.gz IOSQJUHCNSHNEQ-IEBWSBKVSA-N 2 1 327.472 2.230 20 30 EEEDMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948986121 1209490752 /nfs/dbraw/zinc/49/07/52/1209490752.db2.gz IOSQJUHCNSHNEQ-IEBWSBKVSA-N 2 1 327.472 2.230 20 30 EEEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000949486723 1209710183 /nfs/dbraw/zinc/71/01/83/1209710183.db2.gz GOGIKOGFAYYYEL-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000949486723 1209710185 /nfs/dbraw/zinc/71/01/85/1209710185.db2.gz GOGIKOGFAYYYEL-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957555662 1215206022 /nfs/dbraw/zinc/20/60/22/1215206022.db2.gz IQKVJXQTMGFVMW-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961227284 1217098203 /nfs/dbraw/zinc/09/82/03/1217098203.db2.gz DZGMCQGWBDGYKN-DLBZAZTESA-N 2 1 343.471 2.149 20 30 EEEDMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961243613 1217105953 /nfs/dbraw/zinc/10/59/53/1217105953.db2.gz QAGZYNQSQXHBPD-MSOLQXFVSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000961243613 1217105956 /nfs/dbraw/zinc/10/59/56/1217105956.db2.gz QAGZYNQSQXHBPD-MSOLQXFVSA-N 2 1 342.487 2.200 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3cncn3C)C2)C1 ZINC000961262856 1217116705 /nfs/dbraw/zinc/11/67/05/1217116705.db2.gz QNXBATGIYYKYEF-SJORKVTESA-N 2 1 330.476 2.099 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961375760 1217164053 /nfs/dbraw/zinc/16/40/53/1217164053.db2.gz QIFIWCDQYZHTLH-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000961376468 1217164504 /nfs/dbraw/zinc/16/45/04/1217164504.db2.gz TWQFNYPREIKZKD-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000961376468 1217164507 /nfs/dbraw/zinc/16/45/07/1217164507.db2.gz TWQFNYPREIKZKD-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CCC)C2)CC1 ZINC000961376468 1217164509 /nfs/dbraw/zinc/16/45/09/1217164509.db2.gz TWQFNYPREIKZKD-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CCC)C2)CC1 ZINC000961376468 1217164511 /nfs/dbraw/zinc/16/45/11/1217164511.db2.gz TWQFNYPREIKZKD-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963314774 1217507059 /nfs/dbraw/zinc/50/70/59/1217507059.db2.gz POYVZOSKXOZORR-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963314774 1217507062 /nfs/dbraw/zinc/50/70/62/1217507062.db2.gz POYVZOSKXOZORR-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC3CCCC3)CC[C@H]2C)CC1 ZINC000968681956 1221487512 /nfs/dbraw/zinc/48/75/12/1221487512.db2.gz NMWGGQOFNKPXJL-XLIONFOSSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968859057 1221628168 /nfs/dbraw/zinc/62/81/68/1221628168.db2.gz LFQLGGYWMXWVNJ-IRXDYDNUSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968859057 1221628172 /nfs/dbraw/zinc/62/81/72/1221628172.db2.gz LFQLGGYWMXWVNJ-IRXDYDNUSA-N 2 1 339.911 2.442 20 30 EEEDMP C#Cc1cnc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000827731706 1248676904 /nfs/dbraw/zinc/67/69/04/1248676904.db2.gz OXPXMWQJVSPDGO-UHFFFAOYSA-N 2 1 341.503 2.090 20 30 EEEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014630116 1226859861 /nfs/dbraw/zinc/85/98/61/1226859861.db2.gz MNLNZCAGLXCZJE-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014630116 1226859870 /nfs/dbraw/zinc/85/98/70/1226859870.db2.gz MNLNZCAGLXCZJE-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001014630116 1226859874 /nfs/dbraw/zinc/85/98/74/1226859874.db2.gz MNLNZCAGLXCZJE-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001014630116 1226859885 /nfs/dbraw/zinc/85/98/85/1226859885.db2.gz MNLNZCAGLXCZJE-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014631045 1226860259 /nfs/dbraw/zinc/86/02/59/1226860259.db2.gz OBWLQOOJMIVCRW-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014631045 1226860265 /nfs/dbraw/zinc/86/02/65/1226860265.db2.gz OBWLQOOJMIVCRW-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001014631045 1226860270 /nfs/dbraw/zinc/86/02/70/1226860270.db2.gz OBWLQOOJMIVCRW-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001014631045 1226860273 /nfs/dbraw/zinc/86/02/73/1226860273.db2.gz OBWLQOOJMIVCRW-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016791640 1226882283 /nfs/dbraw/zinc/88/22/83/1226882283.db2.gz ULLQFQUEYHBONJ-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016860535 1226928006 /nfs/dbraw/zinc/92/80/06/1226928006.db2.gz IQNIYCJLPZTCSC-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001017838763 1227783039 /nfs/dbraw/zinc/78/30/39/1227783039.db2.gz BBDNWJIYEIENLV-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001018984775 1228606791 /nfs/dbraw/zinc/60/67/91/1228606791.db2.gz DQYLDNWAGZLVHG-ROUUACIJSA-N 2 1 345.512 2.153 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001018984775 1228606794 /nfs/dbraw/zinc/60/67/94/1228606794.db2.gz DQYLDNWAGZLVHG-ROUUACIJSA-N 2 1 345.512 2.153 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001020214242 1229559342 /nfs/dbraw/zinc/55/93/42/1229559342.db2.gz NGQNHTQJVXSQBP-GUDVDZBRSA-N 2 1 340.471 2.169 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039132587 1230342020 /nfs/dbraw/zinc/34/20/20/1230342020.db2.gz AJZZPMQXBKYSBU-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039132587 1230342025 /nfs/dbraw/zinc/34/20/25/1230342025.db2.gz AJZZPMQXBKYSBU-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039132587 1230342029 /nfs/dbraw/zinc/34/20/29/1230342029.db2.gz AJZZPMQXBKYSBU-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039152171 1230371776 /nfs/dbraw/zinc/37/17/76/1230371776.db2.gz AUHFZMIYUGNPSO-IHPCNDPISA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039152171 1230371777 /nfs/dbraw/zinc/37/17/77/1230371777.db2.gz AUHFZMIYUGNPSO-IHPCNDPISA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039152171 1230371781 /nfs/dbraw/zinc/37/17/81/1230371781.db2.gz AUHFZMIYUGNPSO-IHPCNDPISA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039173275 1230399015 /nfs/dbraw/zinc/39/90/15/1230399015.db2.gz RXYQMKSZSZTQKE-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039173275 1230399019 /nfs/dbraw/zinc/39/90/19/1230399019.db2.gz RXYQMKSZSZTQKE-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039280977 1230506909 /nfs/dbraw/zinc/50/69/09/1230506909.db2.gz UDKGAUBSIGLSMK-MVCQKVDPSA-N 2 1 331.504 2.099 20 30 EEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001039288793 1230510434 /nfs/dbraw/zinc/51/04/34/1230510434.db2.gz HQLMFOIKHNOJAY-HMQMGEFJSA-N 2 1 328.460 2.448 20 30 EEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001039297957 1230515234 /nfs/dbraw/zinc/51/52/34/1230515234.db2.gz FBLFFHBLBTXOEE-OOKSDGMUSA-N 2 1 342.487 2.442 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039387116 1230572122 /nfs/dbraw/zinc/57/21/22/1230572122.db2.gz SVKUFYLWVAUEPB-AABGKKOBSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039387116 1230572124 /nfs/dbraw/zinc/57/21/24/1230572124.db2.gz SVKUFYLWVAUEPB-AABGKKOBSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001039387116 1230572126 /nfs/dbraw/zinc/57/21/26/1230572126.db2.gz SVKUFYLWVAUEPB-AABGKKOBSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001039387116 1230572130 /nfs/dbraw/zinc/57/21/30/1230572130.db2.gz SVKUFYLWVAUEPB-AABGKKOBSA-N 2 1 343.515 2.482 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001039424294 1230601711 /nfs/dbraw/zinc/60/17/11/1230601711.db2.gz KGHBQQRMQTULRG-SCTDSRPQSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001039424294 1230601712 /nfs/dbraw/zinc/60/17/12/1230601712.db2.gz KGHBQQRMQTULRG-SCTDSRPQSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)C2)CC1 ZINC001040876400 1231393577 /nfs/dbraw/zinc/39/35/77/1231393577.db2.gz FWGSHBHHHRQLFN-INIZCTEOSA-N 2 1 330.476 2.479 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001041429426 1231543541 /nfs/dbraw/zinc/54/35/41/1231543541.db2.gz VMIAFVJJKLKIKP-IBGZPJMESA-N 2 1 346.475 2.240 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001041429426 1231543543 /nfs/dbraw/zinc/54/35/43/1231543543.db2.gz VMIAFVJJKLKIKP-IBGZPJMESA-N 2 1 346.475 2.240 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042260851 1231988409 /nfs/dbraw/zinc/98/84/09/1231988409.db2.gz XWQRWXSCDRQUHO-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042260851 1231988412 /nfs/dbraw/zinc/98/84/12/1231988412.db2.gz XWQRWXSCDRQUHO-IAGOWNOFSA-N 2 1 339.911 2.394 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001045385290 1233710372 /nfs/dbraw/zinc/71/03/72/1233710372.db2.gz KYKZMIWIVFEIGK-INIZCTEOSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045940947 1234198206 /nfs/dbraw/zinc/19/82/06/1234198206.db2.gz GASVRHMBYMYKSC-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045940947 1234198208 /nfs/dbraw/zinc/19/82/08/1234198208.db2.gz GASVRHMBYMYKSC-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045940947 1234198210 /nfs/dbraw/zinc/19/82/10/1234198210.db2.gz GASVRHMBYMYKSC-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047266232 1235779678 /nfs/dbraw/zinc/77/96/78/1235779678.db2.gz UHLNUSSPTZKGOR-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048861320 1239063234 /nfs/dbraw/zinc/06/32/34/1239063234.db2.gz KTNSYVALXKTOTE-BBWFWOEESA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861320 1239063244 /nfs/dbraw/zinc/06/32/44/1239063244.db2.gz KTNSYVALXKTOTE-BBWFWOEESA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861320 1239063257 /nfs/dbraw/zinc/06/32/57/1239063257.db2.gz KTNSYVALXKTOTE-BBWFWOEESA-N 2 1 339.911 2.392 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001000188647 1240043307 /nfs/dbraw/zinc/04/33/07/1240043307.db2.gz BRYGJKZNYXCBAX-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC001000249979 1240100236 /nfs/dbraw/zinc/10/02/36/1240100236.db2.gz VUKGGEOSXPJRCU-GOSISDBHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC001000249979 1240100238 /nfs/dbraw/zinc/10/02/38/1240100238.db2.gz VUKGGEOSXPJRCU-GOSISDBHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2C1 ZINC001049232758 1240333041 /nfs/dbraw/zinc/33/30/41/1240333041.db2.gz XVCYGYCNEOEZSI-KDURUIRLSA-N 2 1 327.472 2.328 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001000786932 1240937624 /nfs/dbraw/zinc/93/76/24/1240937624.db2.gz DCEDHLFIDXYZEE-IBGZPJMESA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001000786932 1240937629 /nfs/dbraw/zinc/93/76/29/1240937629.db2.gz DCEDHLFIDXYZEE-IBGZPJMESA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001000786932 1240937635 /nfs/dbraw/zinc/93/76/35/1240937635.db2.gz DCEDHLFIDXYZEE-IBGZPJMESA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001000786932 1240937641 /nfs/dbraw/zinc/93/76/41/1240937641.db2.gz DCEDHLFIDXYZEE-IBGZPJMESA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001000790148 1240942145 /nfs/dbraw/zinc/94/21/45/1240942145.db2.gz FZRNVGRMPFDZSH-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001000790148 1240942149 /nfs/dbraw/zinc/94/21/49/1240942149.db2.gz FZRNVGRMPFDZSH-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001000790148 1240942155 /nfs/dbraw/zinc/94/21/55/1240942155.db2.gz FZRNVGRMPFDZSH-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001000790148 1240942160 /nfs/dbraw/zinc/94/21/60/1240942160.db2.gz FZRNVGRMPFDZSH-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478560 1241077840 /nfs/dbraw/zinc/07/78/40/1241077840.db2.gz PTGWZZKQVFCEQW-IPMKNSEASA-N 2 1 331.504 2.360 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561746 1241424335 /nfs/dbraw/zinc/42/43/35/1241424335.db2.gz QATOXWVWEOIXAL-MOPGFXCFSA-N 2 1 336.439 2.345 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049566177 1241441805 /nfs/dbraw/zinc/44/18/05/1241441805.db2.gz GYJZHYPOPLTCCZ-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001049666226 1241818258 /nfs/dbraw/zinc/81/82/58/1241818258.db2.gz XTKRHFZXJPIQGL-IPMKNSEASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049666226 1241818261 /nfs/dbraw/zinc/81/82/61/1241818261.db2.gz XTKRHFZXJPIQGL-IPMKNSEASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049666226 1241818265 /nfs/dbraw/zinc/81/82/65/1241818265.db2.gz XTKRHFZXJPIQGL-IPMKNSEASA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049692198 1241891440 /nfs/dbraw/zinc/89/14/40/1241891440.db2.gz DNMSEDFAWCXJGR-HZPDHXFCSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049692198 1241891453 /nfs/dbraw/zinc/89/14/53/1241891453.db2.gz DNMSEDFAWCXJGR-HZPDHXFCSA-N 2 1 325.884 2.146 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049764660 1242125619 /nfs/dbraw/zinc/12/56/19/1242125619.db2.gz VHKUAYRAWFMEOU-DLBZAZTESA-N 2 1 328.460 2.095 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049764660 1242125628 /nfs/dbraw/zinc/12/56/28/1242125628.db2.gz VHKUAYRAWFMEOU-DLBZAZTESA-N 2 1 328.460 2.095 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(C)C)CC1 ZINC001049917889 1242702329 /nfs/dbraw/zinc/70/23/29/1242702329.db2.gz JBGKNIQMTWFCHQ-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157754 1243003754 /nfs/dbraw/zinc/00/37/54/1243003754.db2.gz KHWGAKQOPUJSOV-GBESFXJTSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050159543 1243008332 /nfs/dbraw/zinc/00/83/32/1243008332.db2.gz YVWJJNHBVKYFJH-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050159543 1243008342 /nfs/dbraw/zinc/00/83/42/1243008342.db2.gz YVWJJNHBVKYFJH-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC/C=C\CC)CC1 ZINC001111455174 1244598055 /nfs/dbraw/zinc/59/80/55/1244598055.db2.gz PWEOJYXLRPQNSA-QFTWQFLFSA-N 2 1 343.515 2.409 20 30 EEEDMP C#CCC[N@@H+]1CCc2c(CNC(=O)C3CC[NH+](C)CC3)cccc2C1 ZINC001051298242 1245496553 /nfs/dbraw/zinc/49/65/53/1245496553.db2.gz HSIYXCHALXUYBI-UHFFFAOYSA-N 2 1 339.483 2.026 20 30 EEEDMP C=CCC[NH+]1CCc2c(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)cccc2C1 ZINC001051299855 1245501060 /nfs/dbraw/zinc/50/10/60/1245501060.db2.gz PXTHJSSMKYGOFA-UZLBHIALSA-N 2 1 341.499 2.435 20 30 EEEDMP C=CCC[N@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cccc2C1 ZINC001051299855 1245501067 /nfs/dbraw/zinc/50/10/67/1245501067.db2.gz PXTHJSSMKYGOFA-UZLBHIALSA-N 2 1 341.499 2.435 20 30 EEEDMP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cccc2C1 ZINC001051299855 1245501073 /nfs/dbraw/zinc/50/10/73/1245501073.db2.gz PXTHJSSMKYGOFA-UZLBHIALSA-N 2 1 341.499 2.435 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046584 1245763182 /nfs/dbraw/zinc/76/31/82/1245763182.db2.gz LFHKZIZTWQBXOT-VQTJNVASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380967 1247160612 /nfs/dbraw/zinc/16/06/12/1247160612.db2.gz GUYVRUSWUCPUDE-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052380967 1247160616 /nfs/dbraw/zinc/16/06/16/1247160616.db2.gz GUYVRUSWUCPUDE-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052380967 1247160623 /nfs/dbraw/zinc/16/06/23/1247160623.db2.gz GUYVRUSWUCPUDE-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214088 1247736874 /nfs/dbraw/zinc/73/68/74/1247736874.db2.gz QURSYUXBEWBQOT-OAQYLSRUSA-N 2 1 339.483 2.310 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001071175794 1254032927 /nfs/dbraw/zinc/03/29/27/1254032927.db2.gz LEGSEUVQFNIXRM-HKUYNNGSSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099115992 1257977234 /nfs/dbraw/zinc/97/72/34/1257977234.db2.gz MHAZLYNHDCITNE-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115992 1257977242 /nfs/dbraw/zinc/97/72/42/1257977242.db2.gz MHAZLYNHDCITNE-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115992 1257977249 /nfs/dbraw/zinc/97/72/49/1257977249.db2.gz MHAZLYNHDCITNE-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC2CC2)C3)CC1 ZINC001099174329 1257994128 /nfs/dbraw/zinc/99/41/28/1257994128.db2.gz INOONYRTZONBTH-FPOVZHCZSA-N 2 1 343.515 2.102 20 30 EEEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001099527948 1258191723 /nfs/dbraw/zinc/19/17/23/1258191723.db2.gz FGOYMNISOGMPSA-XSLAGTTESA-N 2 1 333.520 2.319 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001099527948 1258191731 /nfs/dbraw/zinc/19/17/31/1258191731.db2.gz FGOYMNISOGMPSA-XSLAGTTESA-N 2 1 333.520 2.319 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001099527948 1258191734 /nfs/dbraw/zinc/19/17/34/1258191734.db2.gz FGOYMNISOGMPSA-XSLAGTTESA-N 2 1 333.520 2.319 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001187322142 1279489675 /nfs/dbraw/zinc/48/96/75/1279489675.db2.gz LFFMWVVDTSDUGW-GOSISDBHSA-N 2 1 347.890 2.224 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC/C=C\CC)C[C@H]32)CC1 ZINC001190317175 1280788998 /nfs/dbraw/zinc/78/89/98/1280788998.db2.gz DPRZWKJOROVTMO-DXPXIUTNSA-N 2 1 343.515 2.221 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001190777461 1281071084 /nfs/dbraw/zinc/07/10/84/1281071084.db2.gz VCWZLZPVWXAFBQ-UXHICEINSA-N 2 1 341.499 2.157 20 30 EEEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)C1 ZINC001192142482 1281842423 /nfs/dbraw/zinc/84/24/23/1281842423.db2.gz IOUQMESJWSUTRJ-GOSISDBHSA-N 2 1 347.890 2.176 20 30 EEEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192906921 1282228232 /nfs/dbraw/zinc/22/82/32/1282228232.db2.gz RWFJRBXAQYRQSX-GOSISDBHSA-N 2 1 339.524 2.234 20 30 EEEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192906921 1282228235 /nfs/dbraw/zinc/22/82/35/1282228235.db2.gz RWFJRBXAQYRQSX-GOSISDBHSA-N 2 1 339.524 2.234 20 30 EEEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192906921 1282228243 /nfs/dbraw/zinc/22/82/43/1282228243.db2.gz RWFJRBXAQYRQSX-GOSISDBHSA-N 2 1 339.524 2.234 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001152452244 1285169138 /nfs/dbraw/zinc/16/91/38/1285169138.db2.gz XZMKYMCBCOVSIL-SFHVURJKSA-N 2 1 347.890 2.272 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCCO1 ZINC001201547815 1289643604 /nfs/dbraw/zinc/64/36/04/1289643604.db2.gz SYVQKHVEXKMPMV-QGZVFWFLSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CCCO1 ZINC001201559270 1289665915 /nfs/dbraw/zinc/66/59/15/1289665915.db2.gz TWIAUYZPWQPYIB-KRWDZBQOSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202148533 1289931281 /nfs/dbraw/zinc/93/12/81/1289931281.db2.gz XMYQXZAGJIMVIS-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095519 1295235619 /nfs/dbraw/zinc/23/56/19/1295235619.db2.gz JRSQQAPSRYWUQH-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211175676 1295727654 /nfs/dbraw/zinc/72/76/54/1295727654.db2.gz AGHBMDLBNSBEEL-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211175676 1295727665 /nfs/dbraw/zinc/72/76/65/1295727665.db2.gz AGHBMDLBNSBEEL-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211177071 1295729013 /nfs/dbraw/zinc/72/90/13/1295729013.db2.gz SPVNEUKKVUGURD-ROUUACIJSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211177071 1295729029 /nfs/dbraw/zinc/72/90/29/1295729029.db2.gz SPVNEUKKVUGURD-ROUUACIJSA-N 2 1 339.524 2.258 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001211268612 1295788382 /nfs/dbraw/zinc/78/83/82/1295788382.db2.gz KFBPPTDFHYOYSH-LJQANCHMSA-N 2 1 345.462 2.098 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001211269651 1295790473 /nfs/dbraw/zinc/79/04/73/1295790473.db2.gz STGWFQLBTIVVQO-QGZVFWFLSA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCC1(O)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000886780311 1296727924 /nfs/dbraw/zinc/72/79/24/1296727924.db2.gz ILXFJRSPLPYYHE-FQEVSTJZSA-N 2 1 330.472 2.026 20 30 EEEDMP C=CCC1(O)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000886780311 1296727931 /nfs/dbraw/zinc/72/79/31/1296727931.db2.gz ILXFJRSPLPYYHE-FQEVSTJZSA-N 2 1 330.472 2.026 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001073821520 1297573138 /nfs/dbraw/zinc/57/31/38/1297573138.db2.gz LOOVSAWKSXZRGE-LJQANCHMSA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219067226 1297923761 /nfs/dbraw/zinc/92/37/61/1297923761.db2.gz MJAYDYXVRZETMI-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345416 1298371900 /nfs/dbraw/zinc/37/19/00/1298371900.db2.gz VTFRBOHSPUGOCT-SQNIBIBYSA-N 2 1 339.524 2.015 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC001220984985 1298609188 /nfs/dbraw/zinc/60/91/88/1298609188.db2.gz UFHCGVUQHOWQMJ-RBUKOAKNSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC001220984985 1298609197 /nfs/dbraw/zinc/60/91/97/1298609197.db2.gz UFHCGVUQHOWQMJ-RBUKOAKNSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099059943 1298842359 /nfs/dbraw/zinc/84/23/59/1298842359.db2.gz RHGSUAXEFDQYKY-HBFSDRIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001099178641 1298955870 /nfs/dbraw/zinc/95/58/70/1298955870.db2.gz IXNAAERWIUVIAW-JXFKEZNVSA-N 2 1 343.471 2.339 20 30 EEEDMP C=CCOCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001224712399 1300709242 /nfs/dbraw/zinc/70/92/42/1300709242.db2.gz JTXDTLRACSEWKQ-UHFFFAOYSA-N 2 1 348.491 2.037 20 30 EEEDMP CC[C@H](C(=O)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001227979832 1302037016 /nfs/dbraw/zinc/03/70/16/1302037016.db2.gz LUCZERYPXXCECK-LJQANCHMSA-N 2 1 345.462 2.098 20 30 EEEDMP C=CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1cccnc1 ZINC001230763380 1303439387 /nfs/dbraw/zinc/43/93/87/1303439387.db2.gz XQQCBYVZYVRYPS-IBGZPJMESA-N 2 1 344.503 2.449 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cccnc1 ZINC001230763380 1303439391 /nfs/dbraw/zinc/43/93/91/1303439391.db2.gz XQQCBYVZYVRYPS-IBGZPJMESA-N 2 1 344.503 2.449 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cccnc1 ZINC001230763380 1303439393 /nfs/dbraw/zinc/43/93/93/1303439393.db2.gz XQQCBYVZYVRYPS-IBGZPJMESA-N 2 1 344.503 2.449 20 30 EEEDMP C=CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1CCC)Cc1cccnc1 ZINC001230771669 1303445938 /nfs/dbraw/zinc/44/59/38/1303445938.db2.gz OUCJQMYXSVMQQC-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1CCC)Cc1cccnc1 ZINC001230771669 1303445942 /nfs/dbraw/zinc/44/59/42/1303445942.db2.gz OUCJQMYXSVMQQC-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1CCC)Cc1cccnc1 ZINC001230771669 1303445943 /nfs/dbraw/zinc/44/59/43/1303445943.db2.gz OUCJQMYXSVMQQC-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111856021 1304003292 /nfs/dbraw/zinc/00/32/92/1304003292.db2.gz XOVCTJCZRYUUJM-YOEHRIQHSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111856021 1304003300 /nfs/dbraw/zinc/00/33/00/1304003300.db2.gz XOVCTJCZRYUUJM-YOEHRIQHSA-N 2 1 325.884 2.051 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCC(C)(C)C)C[C@H]32)CC1 ZINC001115289930 1304907210 /nfs/dbraw/zinc/90/72/10/1304907210.db2.gz KBYGIFPPNVJBRM-BWTSREIZSA-N 2 1 345.531 2.204 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234401909 1304909950 /nfs/dbraw/zinc/90/99/50/1304909950.db2.gz IGFMUTOEJDZZND-IRXDYDNUSA-N 2 1 348.491 2.132 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234401909 1304909953 /nfs/dbraw/zinc/90/99/53/1304909953.db2.gz IGFMUTOEJDZZND-IRXDYDNUSA-N 2 1 348.491 2.132 20 30 EEEDMP CCc1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)ccc1C#N ZINC001238774842 1308952947 /nfs/dbraw/zinc/95/29/47/1308952947.db2.gz MLAHOTVBZBFJBH-UHFFFAOYSA-N 2 1 326.488 2.332 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCn2ccnc2)C1 ZINC001120458253 1309554395 /nfs/dbraw/zinc/55/43/95/1309554395.db2.gz DLKJSLDEFIGLHR-OALUTQOASA-N 2 1 342.487 2.390 20 30 EEEDMP CCCCCCCCC[C@H](C)[NH2+]CCS(=O)(=O)N1CC[NH2+]CC1 ZINC001246098536 1310235755 /nfs/dbraw/zinc/23/57/55/1310235755.db2.gz CCGJHCGUVFMPIJ-KRWDZBQOSA-N 2 1 347.569 2.340 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116334 1316961840 /nfs/dbraw/zinc/96/18/40/1316961840.db2.gz IYYAEBLGOWYFEP-OAHLLOKOSA-N 2 1 344.459 2.286 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255209 1317525715 /nfs/dbraw/zinc/52/57/15/1317525715.db2.gz MVXMVOKECKLNLE-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155255209 1317525720 /nfs/dbraw/zinc/52/57/20/1317525720.db2.gz MVXMVOKECKLNLE-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155255209 1317525723 /nfs/dbraw/zinc/52/57/23/1317525723.db2.gz MVXMVOKECKLNLE-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC#Cc1ccccc1 ZINC001156525835 1318055176 /nfs/dbraw/zinc/05/51/76/1318055176.db2.gz ZSZYMNFTKWCWIR-GOSISDBHSA-N 2 1 329.488 2.207 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC#Cc1ccccc1 ZINC001156525835 1318055191 /nfs/dbraw/zinc/05/51/91/1318055191.db2.gz ZSZYMNFTKWCWIR-GOSISDBHSA-N 2 1 329.488 2.207 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC#Cc1ccccc1 ZINC001156525835 1318055202 /nfs/dbraw/zinc/05/52/02/1318055202.db2.gz ZSZYMNFTKWCWIR-GOSISDBHSA-N 2 1 329.488 2.207 20 30 EEEDMP N#C[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001254665993 1318162572 /nfs/dbraw/zinc/16/25/72/1318162572.db2.gz SNKBDDIAXKSMBE-MTQWCTHYSA-N 2 1 340.471 2.297 20 30 EEEDMP N#C[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001254665993 1318162573 /nfs/dbraw/zinc/16/25/73/1318162573.db2.gz SNKBDDIAXKSMBE-MTQWCTHYSA-N 2 1 340.471 2.297 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256614454 1318801194 /nfs/dbraw/zinc/80/11/94/1318801194.db2.gz TVZVGOFPVHJLRY-OOKSDGMUSA-N 2 1 327.472 2.106 20 30 EEEDMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3CCC(C#N)CC3)CC2)C1 ZINC001256971685 1318906801 /nfs/dbraw/zinc/90/68/01/1318906801.db2.gz LKORYDUXPXCFRT-CGZBRXJRSA-N 2 1 333.476 2.418 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001157886160 1318917263 /nfs/dbraw/zinc/91/72/63/1318917263.db2.gz ASCDWGCGSPFMSY-GOSISDBHSA-N 2 1 346.450 2.166 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)cc1 ZINC001158038143 1318980795 /nfs/dbraw/zinc/98/07/95/1318980795.db2.gz NHJWHECLTRWIAN-RTBURBONSA-N 2 1 340.471 2.029 20 30 EEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155471 1320085774 /nfs/dbraw/zinc/08/57/74/1320085774.db2.gz HFSHZTXMNQKGEF-IBGZPJMESA-N 2 1 331.504 2.433 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001160198118 1320096635 /nfs/dbraw/zinc/09/66/35/1320096635.db2.gz SPGRVYCZBVDAMK-HKUYNNGSSA-N 2 1 327.472 2.250 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001160198118 1320096641 /nfs/dbraw/zinc/09/66/41/1320096641.db2.gz SPGRVYCZBVDAMK-HKUYNNGSSA-N 2 1 327.472 2.250 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161446029 1320503867 /nfs/dbraw/zinc/50/38/67/1320503867.db2.gz VUONJUFNWRANIK-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161446029 1320503871 /nfs/dbraw/zinc/50/38/71/1320503871.db2.gz VUONJUFNWRANIK-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161446029 1320503875 /nfs/dbraw/zinc/50/38/75/1320503875.db2.gz VUONJUFNWRANIK-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001161649323 1320570479 /nfs/dbraw/zinc/57/04/79/1320570479.db2.gz CKVWJAJYIBQLHY-KRWDZBQOSA-N 2 1 348.516 2.336 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001161908568 1320672818 /nfs/dbraw/zinc/67/28/18/1320672818.db2.gz OJSRYUYACQYRAB-PKOBYXMFSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161908568 1320672827 /nfs/dbraw/zinc/67/28/27/1320672827.db2.gz OJSRYUYACQYRAB-PKOBYXMFSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161908568 1320672832 /nfs/dbraw/zinc/67/28/32/1320672832.db2.gz OJSRYUYACQYRAB-PKOBYXMFSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161908568 1320672841 /nfs/dbraw/zinc/67/28/41/1320672841.db2.gz OJSRYUYACQYRAB-PKOBYXMFSA-N 2 1 349.519 2.200 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCCC=C)CC2)CC1 ZINC001161946979 1320689455 /nfs/dbraw/zinc/68/94/55/1320689455.db2.gz OWYPKSXVTJEGCM-UHFFFAOYSA-N 2 1 343.515 2.436 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001205340137 1322354246 /nfs/dbraw/zinc/35/42/46/1322354246.db2.gz UFCZEQOGCZPTKY-MRXNPFEDSA-N 2 1 330.476 2.248 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205674465 1323238629 /nfs/dbraw/zinc/23/86/29/1323238629.db2.gz TYPPNKDEBDOBTQ-PKOBYXMFSA-N 2 1 345.462 2.075 20 30 EEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001205704035 1323255924 /nfs/dbraw/zinc/25/59/24/1323255924.db2.gz TTXLWTSZYZNWRK-UHFFFAOYSA-N 2 1 330.476 2.166 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208598138 1324581285 /nfs/dbraw/zinc/58/12/85/1324581285.db2.gz XYCXNRJBTSGYNA-UWWQBHOKSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208598138 1324581289 /nfs/dbraw/zinc/58/12/89/1324581289.db2.gz XYCXNRJBTSGYNA-UWWQBHOKSA-N 2 1 330.476 2.157 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001210482396 1325304267 /nfs/dbraw/zinc/30/42/67/1325304267.db2.gz NDKBSSFVYBBXHE-IBGZPJMESA-N 2 1 345.462 2.100 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001210784332 1325430194 /nfs/dbraw/zinc/43/01/94/1325430194.db2.gz YJAAOJHDZGMDIM-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001569597479 1342905855 /nfs/dbraw/zinc/90/58/55/1342905855.db2.gz GAJMXUWLMJWAIO-VQTJNVASSA-N 2 1 335.451 2.314 20 30 EEEDMP C=CCCCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001574916144 1343711155 /nfs/dbraw/zinc/71/11/55/1343711155.db2.gz RYZYYOYUENFICD-IAGOWNOFSA-N 2 1 346.523 2.242 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001134759603 1367777800 /nfs/dbraw/zinc/77/78/00/1367777800.db2.gz UXMSTWZDGZVACU-SFHVURJKSA-N 2 1 346.450 2.166 20 30 EEEDMP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001121916271 1371932648 /nfs/dbraw/zinc/93/26/48/1371932648.db2.gz SYYXHKALXLORMC-ULQDDVLXSA-N 2 1 325.497 2.044 20 30 EEEDMP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001121916269 1371932903 /nfs/dbraw/zinc/93/29/03/1371932903.db2.gz SYYXHKALXLORMC-BBWFWOEESA-N 2 1 325.497 2.044 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]Cc1ccccc1C#N)C1CC1 ZINC001367183528 1374116973 /nfs/dbraw/zinc/11/69/73/1374116973.db2.gz GGPZBGPKKMVHRZ-QUCCMNQESA-N 2 1 340.471 2.027 20 30 EEEDMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001376327269 1378466041 /nfs/dbraw/zinc/46/60/41/1378466041.db2.gz AFIVFVLLCYYVBI-AWEZNQCLSA-N 2 1 348.516 2.288 20 30 EEEDMP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001379676260 1380813760 /nfs/dbraw/zinc/81/37/60/1380813760.db2.gz FFDFHGJXJVDCOW-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001379676260 1380813765 /nfs/dbraw/zinc/81/37/65/1380813765.db2.gz FFDFHGJXJVDCOW-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001379700578 1380831378 /nfs/dbraw/zinc/83/13/78/1380831378.db2.gz ADSGDQVKXPCISO-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001380360200 1381200342 /nfs/dbraw/zinc/20/03/42/1381200342.db2.gz RBLXIDATTXZDKJ-QGZVFWFLSA-N 2 1 334.489 2.042 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001380360200 1381200352 /nfs/dbraw/zinc/20/03/52/1381200352.db2.gz RBLXIDATTXZDKJ-QGZVFWFLSA-N 2 1 334.489 2.042 20 30 EEEDMP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)CCC1 ZINC001391386573 1389335404 /nfs/dbraw/zinc/33/54/04/1389335404.db2.gz ADMXAHOHCABYAU-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)CCC1 ZINC001391386573 1389335410 /nfs/dbraw/zinc/33/54/10/1389335410.db2.gz ADMXAHOHCABYAU-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001752943648 1406568863 /nfs/dbraw/zinc/56/88/63/1406568863.db2.gz OHTOZIVHBJMKSC-GJZGRUSLSA-N 2 1 334.464 2.143 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001399244266 1394873576 /nfs/dbraw/zinc/87/35/76/1394873576.db2.gz JWZPUCVUYOLSJI-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001754469798 1406914374 /nfs/dbraw/zinc/91/43/74/1406914374.db2.gz FZZVEPLPHVNBRS-PKOBYXMFSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001402434202 1397998567 /nfs/dbraw/zinc/99/85/67/1397998567.db2.gz RPNQBGCNQPVPGW-KBPBESRZSA-N 2 1 346.313 2.063 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001402629930 1398101595 /nfs/dbraw/zinc/10/15/95/1398101595.db2.gz IHSUQIRISAQIEX-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC[NH+](CCC)CC1 ZINC001754638579 1406936925 /nfs/dbraw/zinc/93/69/25/1406936925.db2.gz CYNDDZMRVOOALU-HKUYNNGSSA-N 2 1 331.504 2.340 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001402977740 1398302413 /nfs/dbraw/zinc/30/24/13/1398302413.db2.gz VLTXGSVGVJOJCL-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)c(F)c1 ZINC001426249877 1401992859 /nfs/dbraw/zinc/99/28/59/1401992859.db2.gz AAZZOWOMCMRBTB-HNNXBMFYSA-N 2 1 339.842 2.236 20 30 EEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC001426249877 1401992862 /nfs/dbraw/zinc/99/28/62/1401992862.db2.gz AAZZOWOMCMRBTB-HNNXBMFYSA-N 2 1 339.842 2.236 20 30 EEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(F)c1 ZINC001426249896 1401993550 /nfs/dbraw/zinc/99/35/50/1401993550.db2.gz AAZZOWOMCMRBTB-OAHLLOKOSA-N 2 1 339.842 2.236 20 30 EEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC001426249896 1401993554 /nfs/dbraw/zinc/99/35/54/1401993554.db2.gz AAZZOWOMCMRBTB-OAHLLOKOSA-N 2 1 339.842 2.236 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001755284892 1407292716 /nfs/dbraw/zinc/29/27/16/1407292716.db2.gz FUNDFLDFOWLFAA-LJQANCHMSA-N 2 1 339.499 2.296 20 30 EEEDMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001724993300 1405776945 /nfs/dbraw/zinc/77/69/45/1405776945.db2.gz GUQGGBCJRZITCN-YJBOKZPZSA-N 2 1 347.890 2.270 20 30 EEEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001731374697 1405851900 /nfs/dbraw/zinc/85/19/00/1405851900.db2.gz YXDUGDCUUIACEI-PMACEKPBSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001731374697 1405851909 /nfs/dbraw/zinc/85/19/09/1405851909.db2.gz YXDUGDCUUIACEI-PMACEKPBSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755520497 1407578288 /nfs/dbraw/zinc/57/82/88/1407578288.db2.gz JVJZTOKWYAPIHM-DLBZAZTESA-N 2 1 342.487 2.275 20 30 EEEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001755566867 1407637416 /nfs/dbraw/zinc/63/74/16/1407637416.db2.gz CEOGFYIHSHKNEB-LPHOPBHVSA-N 2 1 337.483 2.049 20 30 EEEDMP C=CCC[NH2+]C1CC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001755861983 1407913869 /nfs/dbraw/zinc/91/38/69/1407913869.db2.gz RCHBJUDFWCHNMA-UHFFFAOYSA-N 2 1 332.448 2.039 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573176 761929640 /nfs/dbraw/zinc/92/96/40/761929640.db2.gz KRSQHRSOCQRGFQ-GUDVDZBRSA-N 2 1 333.520 2.206 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3cnc[nH]3)CC2)CC1 ZINC001075453935 760707446 /nfs/dbraw/zinc/70/74/46/760707446.db2.gz HBBHGYFQUXRFRM-KRWDZBQOSA-N 2 1 342.487 2.316 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3cnc[nH]3)CC2)CC1 ZINC001075453935 760707448 /nfs/dbraw/zinc/70/74/48/760707448.db2.gz HBBHGYFQUXRFRM-KRWDZBQOSA-N 2 1 342.487 2.316 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309239 761576575 /nfs/dbraw/zinc/57/65/75/761576575.db2.gz DEXNUSZKHGAFJP-RLLQIKCJSA-N 2 1 345.531 2.347 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087317034 761612130 /nfs/dbraw/zinc/61/21/30/761612130.db2.gz BDSDJTXACBWSJQ-KBAYOESNSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087317034 761612134 /nfs/dbraw/zinc/61/21/34/761612134.db2.gz BDSDJTXACBWSJQ-KBAYOESNSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942521331 782613549 /nfs/dbraw/zinc/61/35/49/782613549.db2.gz TZLCQFUCTWZLEY-CVEARBPZSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942521331 782613556 /nfs/dbraw/zinc/61/35/56/782613556.db2.gz TZLCQFUCTWZLEY-CVEARBPZSA-N 2 1 330.476 2.165 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942721463 783053272 /nfs/dbraw/zinc/05/32/72/783053272.db2.gz LFFIRYOFIDWBEL-XLIONFOSSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CC2)CC1 ZINC001089735673 774816474 /nfs/dbraw/zinc/81/64/74/774816474.db2.gz NZTZIFHIMJLLRD-LJQANCHMSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001112531719 774970658 /nfs/dbraw/zinc/97/06/58/774970658.db2.gz NLSPICAOQDCPBD-PXNSSMCTSA-N 2 1 333.520 2.206 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163680 779183339 /nfs/dbraw/zinc/18/33/39/779183339.db2.gz OCQYGVHPDBYEEF-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000236876942 779670911 /nfs/dbraw/zinc/67/09/11/779670911.db2.gz BDXFJEQSKNHISW-GOSISDBHSA-N 2 1 344.503 2.485 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088857501 790808829 /nfs/dbraw/zinc/80/88/29/790808829.db2.gz RFFWRRFKCJYXBU-MDZRGWNJSA-N 2 1 340.471 2.122 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088857501 790808842 /nfs/dbraw/zinc/80/88/42/790808842.db2.gz RFFWRRFKCJYXBU-MDZRGWNJSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035228567 784118181 /nfs/dbraw/zinc/11/81/81/784118181.db2.gz UDEFXQNWNQCNSQ-OAHLLOKOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035228567 784118184 /nfs/dbraw/zinc/11/81/84/784118184.db2.gz UDEFXQNWNQCNSQ-OAHLLOKOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035228567 784118187 /nfs/dbraw/zinc/11/81/87/784118187.db2.gz UDEFXQNWNQCNSQ-OAHLLOKOSA-N 2 1 339.911 2.395 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035210616 784125842 /nfs/dbraw/zinc/12/58/42/784125842.db2.gz ARMNLNJVWFBKIW-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035247267 784184828 /nfs/dbraw/zinc/18/48/28/784184828.db2.gz VLAGQYOHKZLPFY-INIZCTEOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035247267 784184836 /nfs/dbraw/zinc/18/48/36/784184836.db2.gz VLAGQYOHKZLPFY-INIZCTEOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035247267 784184842 /nfs/dbraw/zinc/18/48/42/784184842.db2.gz VLAGQYOHKZLPFY-INIZCTEOSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035260551 784216105 /nfs/dbraw/zinc/21/61/05/784216105.db2.gz ZMVSUEAGOKYUAG-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135976050 784924358 /nfs/dbraw/zinc/92/43/58/784924358.db2.gz GHRZJQAOGVXYNT-QWHCGFSZSA-N 2 1 334.302 2.110 20 30 EEEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000170913505 791141529 /nfs/dbraw/zinc/14/15/29/791141529.db2.gz RKWLZAKKJLXSNE-IYBDPMFKSA-N 2 1 332.492 2.468 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001109653172 805829568 /nfs/dbraw/zinc/82/95/68/805829568.db2.gz PWFFSZBWIKOPAH-COXVUDFISA-N 2 1 346.500 2.183 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001109653172 805829579 /nfs/dbraw/zinc/82/95/79/805829579.db2.gz PWFFSZBWIKOPAH-COXVUDFISA-N 2 1 346.500 2.183 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000996994410 788387350 /nfs/dbraw/zinc/38/73/50/788387350.db2.gz HYESMRKHXBZBPU-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997001418 788417610 /nfs/dbraw/zinc/41/76/10/788417610.db2.gz UIAIJCRQPDNJIB-CQSZACIVSA-N 2 1 336.867 2.087 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109735749 805915116 /nfs/dbraw/zinc/91/51/16/805915116.db2.gz VIMBRTBMVYFLAO-RDGPPVDQSA-N 2 1 349.519 2.175 20 30 EEEDMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001171219584 790098655 /nfs/dbraw/zinc/09/86/55/790098655.db2.gz YYEFVXAGODFXSG-MRXNPFEDSA-N 2 1 347.890 2.129 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001086932703 793068023 /nfs/dbraw/zinc/06/80/23/793068023.db2.gz RPHWCQBSRWUZDM-MRXNPFEDSA-N 2 1 330.476 2.471 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992254407 793417057 /nfs/dbraw/zinc/41/70/57/793417057.db2.gz BARFMROYQQZKIX-QFBILLFUSA-N 2 1 328.460 2.143 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992254407 793417061 /nfs/dbraw/zinc/41/70/61/793417061.db2.gz BARFMROYQQZKIX-QFBILLFUSA-N 2 1 328.460 2.143 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC000992352761 793775013 /nfs/dbraw/zinc/77/50/13/793775013.db2.gz PLFKITNSUWWCHF-QUCCMNQESA-N 2 1 349.438 2.017 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC000992352761 793775033 /nfs/dbraw/zinc/77/50/33/793775033.db2.gz PLFKITNSUWWCHF-QUCCMNQESA-N 2 1 349.438 2.017 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001092604361 794136850 /nfs/dbraw/zinc/13/68/50/794136850.db2.gz HZHXYYHOLHWDFF-BMFZPTHFSA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092604361 794136857 /nfs/dbraw/zinc/13/68/57/794136857.db2.gz HZHXYYHOLHWDFF-BMFZPTHFSA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092604361 794136861 /nfs/dbraw/zinc/13/68/61/794136861.db2.gz HZHXYYHOLHWDFF-BMFZPTHFSA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000999413242 794430742 /nfs/dbraw/zinc/43/07/42/794430742.db2.gz YZNLKXVXDHPRMB-UHFFFAOYSA-N 2 1 332.448 2.039 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089944114 795004379 /nfs/dbraw/zinc/00/43/79/795004379.db2.gz YLBUXMIEFAEAAC-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089944114 795004382 /nfs/dbraw/zinc/00/43/82/795004382.db2.gz YLBUXMIEFAEAAC-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944114 795004383 /nfs/dbraw/zinc/00/43/83/795004383.db2.gz YLBUXMIEFAEAAC-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944114 795004387 /nfs/dbraw/zinc/00/43/87/795004387.db2.gz YLBUXMIEFAEAAC-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CCO2 ZINC001093395436 795167381 /nfs/dbraw/zinc/16/73/81/795167381.db2.gz CXWCRVIGOKMLDS-QPIRBTGLSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001089947791 795311284 /nfs/dbraw/zinc/31/12/84/795311284.db2.gz OEFGRISVLKRQJF-KRWDZBQOSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001080456052 796051876 /nfs/dbraw/zinc/05/18/76/796051876.db2.gz KQABMWAUUWOCQR-VQIMIIECSA-N 2 1 329.488 2.417 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158873 796335783 /nfs/dbraw/zinc/33/57/83/796335783.db2.gz WZJHTMSHJBMXSQ-YDZRNGNQSA-N 2 1 331.504 2.242 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@@H]1C ZINC000993339053 796426532 /nfs/dbraw/zinc/42/65/32/796426532.db2.gz QVFGDNRAHIKZIQ-DOTOQJQBSA-N 2 1 330.476 2.307 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585129 796468801 /nfs/dbraw/zinc/46/88/01/796468801.db2.gz OFLZVLQRDUVLQZ-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585129 796468805 /nfs/dbraw/zinc/46/88/05/796468805.db2.gz OFLZVLQRDUVLQZ-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585129 796468806 /nfs/dbraw/zinc/46/88/06/796468806.db2.gz OFLZVLQRDUVLQZ-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081213560 796673570 /nfs/dbraw/zinc/67/35/70/796673570.db2.gz DOMLJMILCTXRFI-YTQUADARSA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726002 796885718 /nfs/dbraw/zinc/88/57/18/796885718.db2.gz QALHYNMPRPNJAR-HUUCEWRRSA-N 2 1 339.911 2.488 20 30 EEEDMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172989117 797182374 /nfs/dbraw/zinc/18/23/74/797182374.db2.gz NASQQXDMCFMIPI-TWMKSMIVSA-N 2 1 348.491 2.162 20 30 EEEDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172989117 797182377 /nfs/dbraw/zinc/18/23/77/797182377.db2.gz NASQQXDMCFMIPI-TWMKSMIVSA-N 2 1 348.491 2.162 20 30 EEEDMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172989117 797182381 /nfs/dbraw/zinc/18/23/81/797182381.db2.gz NASQQXDMCFMIPI-TWMKSMIVSA-N 2 1 348.491 2.162 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001094999574 797211065 /nfs/dbraw/zinc/21/10/65/797211065.db2.gz IVYBGNNLCSTBFH-XHSDSOJGSA-N 2 1 339.911 2.440 20 30 EEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174930710 797920512 /nfs/dbraw/zinc/92/05/12/797920512.db2.gz YCLZEEQRDCBDGQ-NVXWUHKLSA-N 2 1 330.476 2.042 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401623 798384383 /nfs/dbraw/zinc/38/43/83/798384383.db2.gz VVHLPCZLMXRMJC-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401623 798384389 /nfs/dbraw/zinc/38/43/89/798384389.db2.gz VVHLPCZLMXRMJC-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401623 798384394 /nfs/dbraw/zinc/38/43/94/798384394.db2.gz VVHLPCZLMXRMJC-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001177320017 798858247 /nfs/dbraw/zinc/85/82/47/798858247.db2.gz YFCSNMHAEAFFTG-OALUTQOASA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CCC)CC1CCCC1 ZINC001177342559 798876605 /nfs/dbraw/zinc/87/66/05/798876605.db2.gz PYWTYIHIGVVFRI-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CCC)CC1CCCC1 ZINC001177342559 798876609 /nfs/dbraw/zinc/87/66/09/798876609.db2.gz PYWTYIHIGVVFRI-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001177349101 798901549 /nfs/dbraw/zinc/90/15/49/798901549.db2.gz YCPYMFBIAWYFEC-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178534998 799512332 /nfs/dbraw/zinc/51/23/32/799512332.db2.gz FERJAQQFUQOGAL-ZWKOTPCHSA-N 2 1 337.508 2.082 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](F)CC ZINC001178722906 799582060 /nfs/dbraw/zinc/58/20/60/799582060.db2.gz URUBPHAUIZSJOQ-SJORKVTESA-N 2 1 325.472 2.098 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](F)CC ZINC001178722906 799582063 /nfs/dbraw/zinc/58/20/63/799582063.db2.gz URUBPHAUIZSJOQ-SJORKVTESA-N 2 1 325.472 2.098 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698334 799592627 /nfs/dbraw/zinc/59/26/27/799592627.db2.gz DEVHLADWAODUSE-QGZVFWFLSA-N 2 1 348.491 2.229 20 30 EEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001179028439 799757180 /nfs/dbraw/zinc/75/71/80/799757180.db2.gz GYHFJCVRGSWWKZ-DZKIICNBSA-N 2 1 334.464 2.284 20 30 EEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179591228 799998201 /nfs/dbraw/zinc/99/82/01/799998201.db2.gz QBICYVZRWZPWNI-LJQANCHMSA-N 2 1 339.499 2.488 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001180227036 800316835 /nfs/dbraw/zinc/31/68/35/800316835.db2.gz YXRZLYZRDUIDNG-KSSFIOAISA-N 2 1 346.450 2.117 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598567 800866484 /nfs/dbraw/zinc/86/64/84/800866484.db2.gz WFTWBPVSYIEPCQ-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598567 800866492 /nfs/dbraw/zinc/86/64/92/800866492.db2.gz WFTWBPVSYIEPCQ-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598567 800866500 /nfs/dbraw/zinc/86/65/00/800866500.db2.gz WFTWBPVSYIEPCQ-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598567 800866507 /nfs/dbraw/zinc/86/65/07/800866507.db2.gz WFTWBPVSYIEPCQ-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182608508 801275493 /nfs/dbraw/zinc/27/54/93/801275493.db2.gz UWIMIXSVAUZGGL-UKPHBRMFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001004474525 802166445 /nfs/dbraw/zinc/16/64/45/802166445.db2.gz PEODFRUSSCJBLG-GOSISDBHSA-N 2 1 346.475 2.239 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001004474525 802166450 /nfs/dbraw/zinc/16/64/50/802166450.db2.gz PEODFRUSSCJBLG-GOSISDBHSA-N 2 1 346.475 2.239 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185225843 802406117 /nfs/dbraw/zinc/40/61/17/802406117.db2.gz MEPQVKDFVUVNQE-SJORKVTESA-N 2 1 330.476 2.104 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004584935 802423442 /nfs/dbraw/zinc/42/34/42/802423442.db2.gz CMSDSPCDMDZXHF-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001108251362 802467621 /nfs/dbraw/zinc/46/76/21/802467621.db2.gz CBNWBGRBGYDFKP-LJQANCHMSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001108251362 802467624 /nfs/dbraw/zinc/46/76/24/802467624.db2.gz CBNWBGRBGYDFKP-LJQANCHMSA-N 2 1 348.491 2.180 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001108835852 804579470 /nfs/dbraw/zinc/57/94/70/804579470.db2.gz DPYHNACHKVZPMV-ZCNNSNEGSA-N 2 1 339.483 2.111 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001108835852 804579476 /nfs/dbraw/zinc/57/94/76/804579476.db2.gz DPYHNACHKVZPMV-ZCNNSNEGSA-N 2 1 339.483 2.111 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001113348671 808789874 /nfs/dbraw/zinc/78/98/74/808789874.db2.gz YOFQTSQTGHGQQY-NVXWUHKLSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086591311 808955593 /nfs/dbraw/zinc/95/55/93/808955593.db2.gz GXANAHBQBZTNCE-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001086591311 808955598 /nfs/dbraw/zinc/95/55/98/808955598.db2.gz GXANAHBQBZTNCE-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001086591311 808955602 /nfs/dbraw/zinc/95/56/02/808955602.db2.gz GXANAHBQBZTNCE-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001086591311 808955608 /nfs/dbraw/zinc/95/56/08/808955608.db2.gz GXANAHBQBZTNCE-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001437000776 1088751937 /nfs/dbraw/zinc/75/19/37/1088751937.db2.gz HFVLXWILHMKDKC-MRXNPFEDSA-N 2 1 327.900 2.443 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001437000776 1088751948 /nfs/dbraw/zinc/75/19/48/1088751948.db2.gz HFVLXWILHMKDKC-MRXNPFEDSA-N 2 1 327.900 2.443 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001437988516 1090584619 /nfs/dbraw/zinc/58/46/19/1090584619.db2.gz PULZNXSAIAJKJP-INIZCTEOSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001442330223 1096652618 /nfs/dbraw/zinc/65/26/18/1096652618.db2.gz WBLZXENVFKCXRF-CYBMUJFWSA-N 2 1 333.823 2.118 20 30 EEEDMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001443926627 1098446866 /nfs/dbraw/zinc/44/68/66/1098446866.db2.gz BOUCKZRXRDXFAR-MRXNPFEDSA-N 2 1 346.450 2.166 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444310470 1098868722 /nfs/dbraw/zinc/86/87/22/1098868722.db2.gz PXTJRQPWPJPYES-LPHOPBHVSA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001446421676 1100835969 /nfs/dbraw/zinc/83/59/69/1100835969.db2.gz QMBWQSFFNMQIPV-ZIAGYGMSSA-N 2 1 346.313 2.206 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001501698620 1113440339 /nfs/dbraw/zinc/44/03/39/1113440339.db2.gz PNBKOWIPWQHKCI-BZUAXINKSA-N 2 1 327.900 2.488 20 30 EEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129106669 530058996 /nfs/dbraw/zinc/05/89/96/530058996.db2.gz LZJWSRZVEXVJOR-AEFFLSMTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129106669 530058997 /nfs/dbraw/zinc/05/89/97/530058997.db2.gz LZJWSRZVEXVJOR-AEFFLSMTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129106669 530058998 /nfs/dbraw/zinc/05/89/98/530058998.db2.gz LZJWSRZVEXVJOR-AEFFLSMTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000355408876 163179177 /nfs/dbraw/zinc/17/91/77/163179177.db2.gz KTSHNGVIGJNHTO-CALCHBBNSA-N 2 1 342.487 2.321 20 30 EEEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000574618935 320041244 /nfs/dbraw/zinc/04/12/44/320041244.db2.gz XQWTYOCRSOZWGG-LJQANCHMSA-N 2 1 340.471 2.079 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)[NH+]1CCSCC1)C(C)C ZINC000152558538 462548114 /nfs/dbraw/zinc/54/81/14/462548114.db2.gz GXHOHJYKICUVFG-IRXDYDNUSA-N 2 1 339.549 2.239 20 30 EEEDMP COCCNC(=[NH2+])NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000066243393 462865961 /nfs/dbraw/zinc/86/59/61/462865961.db2.gz DWOBBFLEIHFPIL-IYBDPMFKSA-N 2 1 332.492 2.215 20 30 EEEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264046856 464277441 /nfs/dbraw/zinc/27/74/41/464277441.db2.gz LBDWTYYSHAHSRF-OAHLLOKOSA-N 2 1 326.444 2.391 20 30 EEEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264046856 464277446 /nfs/dbraw/zinc/27/74/46/464277446.db2.gz LBDWTYYSHAHSRF-OAHLLOKOSA-N 2 1 326.444 2.391 20 30 EEEDMP CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264791060 464467418 /nfs/dbraw/zinc/46/74/18/464467418.db2.gz HHJYPHZECLOCKY-IBGZPJMESA-N 2 1 345.535 2.076 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000294973091 464668126 /nfs/dbraw/zinc/66/81/26/464668126.db2.gz KBSVTMDRAWIFLK-SFHVURJKSA-N 2 1 345.487 2.149 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000294973091 464668130 /nfs/dbraw/zinc/66/81/30/464668130.db2.gz KBSVTMDRAWIFLK-SFHVURJKSA-N 2 1 345.487 2.149 20 30 EEEDMP C#CC[N@H+](C)CCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000294984920 464670698 /nfs/dbraw/zinc/67/06/98/464670698.db2.gz KWQDYKKLXZEWLP-OALUTQOASA-N 2 1 349.906 2.256 20 30 EEEDMP C#CCN(C)CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000294984920 464670701 /nfs/dbraw/zinc/67/07/01/464670701.db2.gz KWQDYKKLXZEWLP-OALUTQOASA-N 2 1 349.906 2.256 20 30 EEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247978974 464719865 /nfs/dbraw/zinc/71/98/65/464719865.db2.gz LZJWSRZVEXVJOR-FUHWJXTLSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247978974 464719871 /nfs/dbraw/zinc/71/98/71/464719871.db2.gz LZJWSRZVEXVJOR-FUHWJXTLSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247978974 464719879 /nfs/dbraw/zinc/71/98/79/464719879.db2.gz LZJWSRZVEXVJOR-FUHWJXTLSA-N 2 1 326.444 2.303 20 30 EEEDMP C[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)CN1CC[NH+](C)CC1 ZINC000267336753 464926252 /nfs/dbraw/zinc/92/62/52/464926252.db2.gz RZCIJQZGUYWYLV-MRXNPFEDSA-N 2 1 343.519 2.176 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)C(C)C ZINC000342766720 465348164 /nfs/dbraw/zinc/34/81/64/465348164.db2.gz WRODVNMYUZLGSC-LSDHHAIUSA-N 2 1 329.435 2.046 20 30 EEEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccccc1C#N ZINC000599299754 469199185 /nfs/dbraw/zinc/19/91/85/469199185.db2.gz JUDPYUUPELVELS-ROUUACIJSA-N 2 1 331.460 2.104 20 30 EEEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccccc1C#N ZINC000599299754 469199192 /nfs/dbraw/zinc/19/91/92/469199192.db2.gz JUDPYUUPELVELS-ROUUACIJSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccccc1C#N ZINC000599299754 469199194 /nfs/dbraw/zinc/19/91/94/469199194.db2.gz JUDPYUUPELVELS-ROUUACIJSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccccc1C#N ZINC000599299754 469199199 /nfs/dbraw/zinc/19/91/99/469199199.db2.gz JUDPYUUPELVELS-ROUUACIJSA-N 2 1 331.460 2.104 20 30 EEEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000733328750 577223029 /nfs/dbraw/zinc/22/30/29/577223029.db2.gz BAXFVWOLJSPCIX-FQEVSTJZSA-N 2 1 328.456 2.432 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118915 674595279 /nfs/dbraw/zinc/59/52/79/674595279.db2.gz ZSLDMHNPMUVGTA-MRXNPFEDSA-N 2 1 328.460 2.145 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671660 676326939 /nfs/dbraw/zinc/32/69/39/676326939.db2.gz UWLLKQPNLMRTHQ-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021671660 676326940 /nfs/dbraw/zinc/32/69/40/676326940.db2.gz UWLLKQPNLMRTHQ-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021671660 676326942 /nfs/dbraw/zinc/32/69/42/676326942.db2.gz UWLLKQPNLMRTHQ-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000972401012 678685411 /nfs/dbraw/zinc/68/54/11/678685411.db2.gz GYPTWSXZNGTKFQ-QRVBRYPASA-N 2 1 327.472 2.051 20 30 EEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972401012 678685412 /nfs/dbraw/zinc/68/54/12/678685412.db2.gz GYPTWSXZNGTKFQ-QRVBRYPASA-N 2 1 327.472 2.051 20 30 EEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972401012 678685414 /nfs/dbraw/zinc/68/54/14/678685414.db2.gz GYPTWSXZNGTKFQ-QRVBRYPASA-N 2 1 327.472 2.051 20 30 EEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCS[C@@H](C(C)C)C1 ZINC000261803923 681460906 /nfs/dbraw/zinc/46/09/06/681460906.db2.gz RSGKONNFAGMEMR-GDBMZVCRSA-N 2 1 344.594 2.073 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@]2(C)C1 ZINC000982716808 682095983 /nfs/dbraw/zinc/09/59/83/682095983.db2.gz MNZUTKZGSJYJRA-OYRHEFFESA-N 2 1 345.531 2.465 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025241454 682300421 /nfs/dbraw/zinc/30/04/21/682300421.db2.gz XNVGQBOGCOBXPX-ROUUACIJSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461499 682829235 /nfs/dbraw/zinc/82/92/35/682829235.db2.gz UPOGVUWGMZTKDV-RDJZCZTQSA-N 2 1 338.455 2.496 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC000992738969 683342022 /nfs/dbraw/zinc/34/20/22/683342022.db2.gz IVECFPKWIQEIAJ-BHYGNILZSA-N 2 1 346.475 2.143 20 30 EEEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC000992752433 683384210 /nfs/dbraw/zinc/38/42/10/683384210.db2.gz SAMZRSDGAJMYCH-BRWVUGGUSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038366683 684475366 /nfs/dbraw/zinc/47/53/66/684475366.db2.gz IKLYJUCYWOOKEH-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001029844224 687306645 /nfs/dbraw/zinc/30/66/45/687306645.db2.gz YSDCQZLONUSWKN-OALUTQOASA-N 2 1 342.487 2.179 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001027441057 688158439 /nfs/dbraw/zinc/15/84/39/688158439.db2.gz RHXGBJCGFWMSSA-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001027441057 688158441 /nfs/dbraw/zinc/15/84/41/688158441.db2.gz RHXGBJCGFWMSSA-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001027441057 688158442 /nfs/dbraw/zinc/15/84/42/688158442.db2.gz RHXGBJCGFWMSSA-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001029918212 688292075 /nfs/dbraw/zinc/29/20/75/688292075.db2.gz ZMJWAHDBECOTOS-VQTJNVASSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001029918212 688292078 /nfs/dbraw/zinc/29/20/78/688292078.db2.gz ZMJWAHDBECOTOS-VQTJNVASSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001029918212 688292081 /nfs/dbraw/zinc/29/20/81/688292081.db2.gz ZMJWAHDBECOTOS-VQTJNVASSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001029918212 688292084 /nfs/dbraw/zinc/29/20/84/688292084.db2.gz ZMJWAHDBECOTOS-VQTJNVASSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000977655195 692884442 /nfs/dbraw/zinc/88/44/42/692884442.db2.gz NNDJROQPAHMEBZ-GOSISDBHSA-N 2 1 331.504 2.124 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001027578574 693202729 /nfs/dbraw/zinc/20/27/29/693202729.db2.gz NWHHXCLKWZSBRC-MOPGFXCFSA-N 2 1 342.487 2.321 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001481120382 1179801829 /nfs/dbraw/zinc/80/18/29/1179801829.db2.gz CJBYIZLHMKCDHD-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001481120382 1179801842 /nfs/dbraw/zinc/80/18/42/1179801842.db2.gz CJBYIZLHMKCDHD-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001481120382 1179801852 /nfs/dbraw/zinc/80/18/52/1179801852.db2.gz CJBYIZLHMKCDHD-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105541967 1188154818 /nfs/dbraw/zinc/15/48/18/1188154818.db2.gz MJLVDRUCDKXGHQ-SFHVURJKSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[N@H+](CC)CCO2)CCC1 ZINC001105578739 1188194898 /nfs/dbraw/zinc/19/48/98/1188194898.db2.gz GDXONXIIKBRQEC-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCC1 ZINC001105578739 1188194900 /nfs/dbraw/zinc/19/49/00/1188194900.db2.gz GDXONXIIKBRQEC-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832455 1195346085 /nfs/dbraw/zinc/34/60/85/1195346085.db2.gz FROFKJRBSDAKTB-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832455 1195346091 /nfs/dbraw/zinc/34/60/91/1195346091.db2.gz FROFKJRBSDAKTB-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001034003438 1195645305 /nfs/dbraw/zinc/64/53/05/1195645305.db2.gz DCUVHODBZWGVEI-LJQANCHMSA-N 2 1 336.439 2.432 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC[C@H](C)F)C2)CC1 ZINC001034045498 1195696995 /nfs/dbraw/zinc/69/69/95/1195696995.db2.gz JWYSRSCRSAFKDT-WMZOPIPTSA-N 2 1 337.483 2.003 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115363 1195758142 /nfs/dbraw/zinc/75/81/42/1195758142.db2.gz OMQJUZDOYFTPOI-LJQANCHMSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132215322 1199441877 /nfs/dbraw/zinc/44/18/77/1199441877.db2.gz VTHIODRERZGNHQ-SJORKVTESA-N 2 1 337.508 2.033 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132441678 1199726682 /nfs/dbraw/zinc/72/66/82/1199726682.db2.gz SODRFLKDUGVMNN-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132441678 1199726685 /nfs/dbraw/zinc/72/66/85/1199726685.db2.gz SODRFLKDUGVMNN-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132441678 1199726688 /nfs/dbraw/zinc/72/66/88/1199726688.db2.gz SODRFLKDUGVMNN-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132441678 1199726692 /nfs/dbraw/zinc/72/66/92/1199726692.db2.gz SODRFLKDUGVMNN-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541573 1199837791 /nfs/dbraw/zinc/83/77/91/1199837791.db2.gz HMRUCSLHAFYJTP-HKUYNNGSSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541573 1199837795 /nfs/dbraw/zinc/83/77/95/1199837795.db2.gz HMRUCSLHAFYJTP-HKUYNNGSSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541573 1199837799 /nfs/dbraw/zinc/83/77/99/1199837799.db2.gz HMRUCSLHAFYJTP-HKUYNNGSSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541573 1199837801 /nfs/dbraw/zinc/83/78/01/1199837801.db2.gz HMRUCSLHAFYJTP-HKUYNNGSSA-N 2 1 327.472 2.111 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001132931742 1200208431 /nfs/dbraw/zinc/20/84/31/1200208431.db2.gz CUYQYMFDGDJZDQ-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133141140 1200493755 /nfs/dbraw/zinc/49/37/55/1200493755.db2.gz AOKYGRXSYHKTHW-SJORKVTESA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133360846 1200780731 /nfs/dbraw/zinc/78/07/31/1200780731.db2.gz PYGSSBYFBHGSQM-QUCCMNQESA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133360846 1200780739 /nfs/dbraw/zinc/78/07/39/1200780739.db2.gz PYGSSBYFBHGSQM-QUCCMNQESA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133359200 1200790884 /nfs/dbraw/zinc/79/08/84/1200790884.db2.gz GKZFGMWPAZGJIF-ICSRJNTNSA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133359200 1200790887 /nfs/dbraw/zinc/79/08/87/1200790887.db2.gz GKZFGMWPAZGJIF-ICSRJNTNSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)C(C)C ZINC001133410403 1200878543 /nfs/dbraw/zinc/87/85/43/1200878543.db2.gz DAAPJXMBOONFJS-UHFFFAOYSA-N 2 1 335.879 2.232 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130303 1204211342 /nfs/dbraw/zinc/21/13/42/1204211342.db2.gz BEDAQSSCXGRHHG-DLBZAZTESA-N 2 1 330.476 2.405 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130303 1204211345 /nfs/dbraw/zinc/21/13/45/1204211345.db2.gz BEDAQSSCXGRHHG-DLBZAZTESA-N 2 1 330.476 2.405 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1c(F)cc(C#N)cc1F)CC2 ZINC001276287311 1205868539 /nfs/dbraw/zinc/86/85/39/1205868539.db2.gz JRAHJIKKFPGCII-UHFFFAOYSA-N 2 1 348.441 2.296 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948726584 1209329756 /nfs/dbraw/zinc/32/97/56/1209329756.db2.gz VEOIOXLAJZCLKF-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948726584 1209329761 /nfs/dbraw/zinc/32/97/61/1209329761.db2.gz VEOIOXLAJZCLKF-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961277534 1217123866 /nfs/dbraw/zinc/12/38/66/1217123866.db2.gz SZVHMSDFTJTDHO-MSOLQXFVSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000961376353 1217164637 /nfs/dbraw/zinc/16/46/37/1217164637.db2.gz SBJCJSLFGWSKQA-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CC)C2)CC1 ZINC000961376353 1217164639 /nfs/dbraw/zinc/16/46/39/1217164639.db2.gz SBJCJSLFGWSKQA-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CC)C2)CC1 ZINC000961376353 1217164640 /nfs/dbraw/zinc/16/46/40/1217164640.db2.gz SBJCJSLFGWSKQA-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CC)C2)CC1 ZINC000961376353 1217164643 /nfs/dbraw/zinc/16/46/43/1217164643.db2.gz SBJCJSLFGWSKQA-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314931 1217507175 /nfs/dbraw/zinc/50/71/75/1217507175.db2.gz QIFHEYDBBVDMOU-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963327948 1217522966 /nfs/dbraw/zinc/52/29/66/1217522966.db2.gz JJJDNCJMVGSCKQ-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372587 1217569726 /nfs/dbraw/zinc/56/97/26/1217569726.db2.gz VSNVVMOPOLYPBH-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372587 1217569729 /nfs/dbraw/zinc/56/97/29/1217569729.db2.gz VSNVVMOPOLYPBH-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967424643 1220501476 /nfs/dbraw/zinc/50/14/76/1220501476.db2.gz UFENXYMORHDHBI-APWZRJJASA-N 2 1 329.488 2.417 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674454 1221482800 /nfs/dbraw/zinc/48/28/00/1221482800.db2.gz QZAAQJCNCASOKI-APWZRJJASA-N 2 1 327.472 2.212 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC000968956508 1221700565 /nfs/dbraw/zinc/70/05/65/1221700565.db2.gz OZYXAKXXNZSZLO-MDZRGWNJSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC000968956508 1221700566 /nfs/dbraw/zinc/70/05/66/1221700566.db2.gz OZYXAKXXNZSZLO-MDZRGWNJSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109083 1221816405 /nfs/dbraw/zinc/81/64/05/1221816405.db2.gz UKDHRLHMOBDBGD-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277167 1222731091 /nfs/dbraw/zinc/73/10/91/1222731091.db2.gz SZRQNPXEQGGTJP-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277167 1222731094 /nfs/dbraw/zinc/73/10/94/1222731094.db2.gz SZRQNPXEQGGTJP-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008277167 1222731096 /nfs/dbraw/zinc/73/10/96/1222731096.db2.gz SZRQNPXEQGGTJP-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008277167 1222731097 /nfs/dbraw/zinc/73/10/97/1222731097.db2.gz SZRQNPXEQGGTJP-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001016818371 1226901971 /nfs/dbraw/zinc/90/19/71/1226901971.db2.gz CRPZQTGHWFGCTN-WMZOPIPTSA-N 2 1 342.487 2.301 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016860998 1226928706 /nfs/dbraw/zinc/92/87/06/1226928706.db2.gz MDZJNILNUDTGFA-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001016903234 1226957776 /nfs/dbraw/zinc/95/77/76/1226957776.db2.gz XIRCYCFOAASRBV-QGZVFWFLSA-N 2 1 337.427 2.038 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039235858 1230469277 /nfs/dbraw/zinc/46/92/77/1230469277.db2.gz RTYNXDDEAAMTNB-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039385094 1230570066 /nfs/dbraw/zinc/57/00/66/1230570066.db2.gz YBCRDWJSVHZQRP-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039385094 1230570073 /nfs/dbraw/zinc/57/00/73/1230570073.db2.gz YBCRDWJSVHZQRP-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039385094 1230570077 /nfs/dbraw/zinc/57/00/77/1230570077.db2.gz YBCRDWJSVHZQRP-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001039404230 1230586152 /nfs/dbraw/zinc/58/61/52/1230586152.db2.gz OHANWKJMEHNINE-SJORKVTESA-N 2 1 337.427 2.132 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039458206 1230624282 /nfs/dbraw/zinc/62/42/82/1230624282.db2.gz JUZOTMKFHGXKJF-UXHICEINSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040431409 1231228553 /nfs/dbraw/zinc/22/85/53/1231228553.db2.gz HTHJQGHEIQSTPL-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041680525 1231648023 /nfs/dbraw/zinc/64/80/23/1231648023.db2.gz TXFZHBOLPQTQTE-PBHICJAKSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041680525 1231648024 /nfs/dbraw/zinc/64/80/24/1231648024.db2.gz TXFZHBOLPQTQTE-PBHICJAKSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041680525 1231648025 /nfs/dbraw/zinc/64/80/25/1231648025.db2.gz TXFZHBOLPQTQTE-PBHICJAKSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041680525 1231648027 /nfs/dbraw/zinc/64/80/27/1231648027.db2.gz TXFZHBOLPQTQTE-PBHICJAKSA-N 2 1 325.884 2.005 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767039 1231683790 /nfs/dbraw/zinc/68/37/90/1231683790.db2.gz DJTDSSLPDCNILN-FQEVSTJZSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041776381 1231688831 /nfs/dbraw/zinc/68/88/31/1231688831.db2.gz ANNBRMVEFMOTPA-HXUWFJFHSA-N 2 1 331.504 2.219 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042111240 1231896038 /nfs/dbraw/zinc/89/60/38/1231896038.db2.gz IDVKQHWZQGIFBH-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC001045070582 1233483558 /nfs/dbraw/zinc/48/35/58/1233483558.db2.gz LVRDPPZXNWYPBY-HNNXBMFYSA-N 2 1 346.500 2.185 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979840 1234269219 /nfs/dbraw/zinc/26/92/19/1234269219.db2.gz KJLQOEKCSHRELB-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045979840 1234269222 /nfs/dbraw/zinc/26/92/22/1234269222.db2.gz KJLQOEKCSHRELB-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045979840 1234269224 /nfs/dbraw/zinc/26/92/24/1234269224.db2.gz KJLQOEKCSHRELB-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001046849783 1235247085 /nfs/dbraw/zinc/24/70/85/1235247085.db2.gz JBHCQKXHHSWMBB-NRFANRHFSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001046950585 1235346148 /nfs/dbraw/zinc/34/61/48/1235346148.db2.gz IPMPFFAPSNJTLG-HNNXBMFYSA-N 2 1 341.446 2.264 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001046952755 1235348601 /nfs/dbraw/zinc/34/86/01/1235348601.db2.gz VKSXFJIYDSLGHW-OAHLLOKOSA-N 2 1 341.446 2.122 20 30 EEEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046965879 1235366255 /nfs/dbraw/zinc/36/62/55/1235366255.db2.gz FBMZDTGMYRYTNW-HRCADAONSA-N 2 1 343.462 2.366 20 30 EEEDMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046965879 1235366247 /nfs/dbraw/zinc/36/62/47/1235366247.db2.gz FBMZDTGMYRYTNW-HRCADAONSA-N 2 1 343.462 2.366 20 30 EEEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046965879 1235366252 /nfs/dbraw/zinc/36/62/52/1235366252.db2.gz FBMZDTGMYRYTNW-HRCADAONSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001046994748 1235407323 /nfs/dbraw/zinc/40/73/23/1235407323.db2.gz LSBGMRJYJNSSGW-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001046994748 1235407327 /nfs/dbraw/zinc/40/73/27/1235407327.db2.gz LSBGMRJYJNSSGW-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001046994748 1235407330 /nfs/dbraw/zinc/40/73/30/1235407330.db2.gz LSBGMRJYJNSSGW-LSDHHAIUSA-N 2 1 329.435 2.120 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC2CC2)C3)CC1 ZINC001047209873 1235673485 /nfs/dbraw/zinc/67/34/85/1235673485.db2.gz YYJCUNIGQHEFMX-SXLOBPIMSA-N 2 1 343.515 2.101 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047258113 1235764129 /nfs/dbraw/zinc/76/41/29/1235764129.db2.gz XHZNAGSXXQWOCY-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048537523 1237906872 /nfs/dbraw/zinc/90/68/72/1237906872.db2.gz DQABKNBYZHTTEC-OUUBHVDSSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048537523 1237906878 /nfs/dbraw/zinc/90/68/78/1237906878.db2.gz DQABKNBYZHTTEC-OUUBHVDSSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048537523 1237906887 /nfs/dbraw/zinc/90/68/87/1237906887.db2.gz DQABKNBYZHTTEC-OUUBHVDSSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048538557 1237909195 /nfs/dbraw/zinc/90/91/95/1237909195.db2.gz ZUKPDZIEAYBMFZ-KNJMJIDISA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)C2 ZINC001048538557 1237909201 /nfs/dbraw/zinc/90/92/01/1237909201.db2.gz ZUKPDZIEAYBMFZ-KNJMJIDISA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)C2 ZINC001048538557 1237909204 /nfs/dbraw/zinc/90/92/04/1237909204.db2.gz ZUKPDZIEAYBMFZ-KNJMJIDISA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001048590322 1238041993 /nfs/dbraw/zinc/04/19/93/1238041993.db2.gz MSJJONQOZUVREO-FNLKRUPLSA-N 2 1 339.483 2.354 20 30 EEEDMP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001048628219 1238139778 /nfs/dbraw/zinc/13/97/78/1238139778.db2.gz AQKRCCSHDQPHKG-KRWDZBQOSA-N 2 1 342.487 2.012 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001308723 1242026251 /nfs/dbraw/zinc/02/62/51/1242026251.db2.gz XIRFPNJYPLSOCA-UHFFFAOYSA-N 2 1 337.427 2.205 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001308723 1242026261 /nfs/dbraw/zinc/02/62/61/1242026261.db2.gz XIRFPNJYPLSOCA-UHFFFAOYSA-N 2 1 337.427 2.205 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049915197 1242687761 /nfs/dbraw/zinc/68/77/61/1242687761.db2.gz UFHFLDXZGWZUBP-ZCNNSNEGSA-N 2 1 339.483 2.378 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049915197 1242687776 /nfs/dbraw/zinc/68/77/76/1242687776.db2.gz UFHFLDXZGWZUBP-ZCNNSNEGSA-N 2 1 339.483 2.378 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001097219365 1243843216 /nfs/dbraw/zinc/84/32/16/1243843216.db2.gz CJQLNIXDQXTAMM-WCXIOVBPSA-N 2 1 328.460 2.448 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001097219365 1243843220 /nfs/dbraw/zinc/84/32/20/1243843220.db2.gz CJQLNIXDQXTAMM-WCXIOVBPSA-N 2 1 328.460 2.448 20 30 EEEDMP C#CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)cccc2C1 ZINC001051306854 1245511845 /nfs/dbraw/zinc/51/18/45/1245511845.db2.gz UJYKUQWFBGWMQT-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCCC[NH+]3CC)cccc2C1 ZINC001051306854 1245511849 /nfs/dbraw/zinc/51/18/49/1245511849.db2.gz UJYKUQWFBGWMQT-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCCC[NH+]3CC)cccc2C1 ZINC001051306854 1245511858 /nfs/dbraw/zinc/51/18/58/1245511858.db2.gz UJYKUQWFBGWMQT-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053033797 1245727924 /nfs/dbraw/zinc/72/79/24/1245727924.db2.gz URNPWNJLEYQATN-RBUKOAKNSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053033797 1245727930 /nfs/dbraw/zinc/72/79/30/1245727930.db2.gz URNPWNJLEYQATN-RBUKOAKNSA-N 2 1 342.487 2.165 20 30 EEEDMP C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)O2 ZINC001053673682 1246626196 /nfs/dbraw/zinc/62/61/96/1246626196.db2.gz FGYKDRUHRVDSCL-ROUUACIJSA-N 2 1 349.519 2.175 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001052254966 1246784265 /nfs/dbraw/zinc/78/42/65/1246784265.db2.gz SLFKBQUCTYAXES-WMLDXEAASA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001052254966 1246784275 /nfs/dbraw/zinc/78/42/75/1246784275.db2.gz SLFKBQUCTYAXES-WMLDXEAASA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001052254966 1246784286 /nfs/dbraw/zinc/78/42/86/1246784286.db2.gz SLFKBQUCTYAXES-WMLDXEAASA-N 2 1 346.500 2.185 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054134235 1247485595 /nfs/dbraw/zinc/48/55/95/1247485595.db2.gz XLEILNYWRGFDJJ-QUCCMNQESA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144182 1247515234 /nfs/dbraw/zinc/51/52/34/1247515234.db2.gz RIOYJVGPHYJVJB-PZJWPPBQSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054144182 1247515240 /nfs/dbraw/zinc/51/52/40/1247515240.db2.gz RIOYJVGPHYJVJB-PZJWPPBQSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054144182 1247515246 /nfs/dbraw/zinc/51/52/46/1247515246.db2.gz RIOYJVGPHYJVJB-PZJWPPBQSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054147780 1247527004 /nfs/dbraw/zinc/52/70/04/1247527004.db2.gz XYPOOANQZRRAPD-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001054147780 1247527014 /nfs/dbraw/zinc/52/70/14/1247527014.db2.gz XYPOOANQZRRAPD-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001054147780 1247527016 /nfs/dbraw/zinc/52/70/16/1247527016.db2.gz XYPOOANQZRRAPD-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052552166 1247544123 /nfs/dbraw/zinc/54/41/23/1247544123.db2.gz VLKRMOWRJCOOMF-INIZCTEOSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209762 1247725265 /nfs/dbraw/zinc/72/52/65/1247725265.db2.gz XFDZJPTVJSTJPL-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001072886378 1255460044 /nfs/dbraw/zinc/46/00/44/1255460044.db2.gz QBQYWEOAEOUTLK-INIZCTEOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886378 1255460049 /nfs/dbraw/zinc/46/00/49/1255460049.db2.gz QBQYWEOAEOUTLK-INIZCTEOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886378 1255460055 /nfs/dbraw/zinc/46/00/55/1255460055.db2.gz QBQYWEOAEOUTLK-INIZCTEOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886378 1255460061 /nfs/dbraw/zinc/46/00/61/1255460061.db2.gz QBQYWEOAEOUTLK-INIZCTEOSA-N 2 1 339.911 2.394 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001098991434 1257918054 /nfs/dbraw/zinc/91/80/54/1257918054.db2.gz YJASAOGTELSCBE-HBFSDRIKSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001098991434 1257918057 /nfs/dbraw/zinc/91/80/57/1257918057.db2.gz YJASAOGTELSCBE-HBFSDRIKSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001098991434 1257918062 /nfs/dbraw/zinc/91/80/62/1257918062.db2.gz YJASAOGTELSCBE-HBFSDRIKSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC001185389188 1278605994 /nfs/dbraw/zinc/60/59/94/1278605994.db2.gz GXZZNRJOGCBIRX-HOTGVXAUSA-N 2 1 339.443 2.141 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCCO1 ZINC001201072334 1287281788 /nfs/dbraw/zinc/28/17/88/1287281788.db2.gz NABDUDZLMYNFFQ-SFHVURJKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433023 1280310500 /nfs/dbraw/zinc/31/05/00/1280310500.db2.gz JSMQKQLDSLBKHR-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433023 1280310510 /nfs/dbraw/zinc/31/05/10/1280310510.db2.gz JSMQKQLDSLBKHR-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071974138 1295058082 /nfs/dbraw/zinc/05/80/82/1295058082.db2.gz KYUDSRPIBKWNGY-VQIMIIECSA-N 2 1 331.504 2.101 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001215004000 1296689798 /nfs/dbraw/zinc/68/97/98/1296689798.db2.gz PDTYFLKYJLCXBY-CRAIPNDOSA-N 2 1 342.487 2.225 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215387826 1296885085 /nfs/dbraw/zinc/88/50/85/1296885085.db2.gz VDLGFQNNCZNFFE-QRQLOZEOSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215540798 1296934405 /nfs/dbraw/zinc/93/44/05/1296934405.db2.gz QGHBVHCUGINZKB-IIDMSEBBSA-N 2 1 325.472 2.212 20 30 EEEDMP N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)C[NH2+]CCC[NH3+] ZINC001218541538 1297703457 /nfs/dbraw/zinc/70/34/57/1297703457.db2.gz LNBLQMWKZXONDH-UHFFFAOYSA-N 2 1 332.404 2.303 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CSCc1ccc(C)cc1 ZINC001220868617 1298565026 /nfs/dbraw/zinc/56/50/26/1298565026.db2.gz MEBRMFDTJFQJPF-ROUUACIJSA-N 2 1 347.528 2.322 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001099295726 1299001496 /nfs/dbraw/zinc/00/14/96/1299001496.db2.gz QQYXDYZLMHDVPM-RBSFLKMASA-N 2 1 347.425 2.273 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099522212 1299184416 /nfs/dbraw/zinc/18/44/16/1299184416.db2.gz VJUKTGQQGMXANE-MANSERQUSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCCCC[N@@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001276888113 1300118712 /nfs/dbraw/zinc/11/87/12/1300118712.db2.gz UANALAUHPCPINB-QRQLOZEOSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001228604308 1302334231 /nfs/dbraw/zinc/33/42/31/1302334231.db2.gz ZZSNPTPSLFCEMD-GPMSIDNRSA-N 2 1 337.483 2.239 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170935 1302378440 /nfs/dbraw/zinc/37/84/40/1302378440.db2.gz KINVWTSGGBOPLG-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170935 1302378449 /nfs/dbraw/zinc/37/84/49/1302378449.db2.gz KINVWTSGGBOPLG-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359297 1302808390 /nfs/dbraw/zinc/80/83/90/1302808390.db2.gz SVTBSTLZWBIEGM-QRVBRYPASA-N 2 1 333.520 2.206 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359297 1302808400 /nfs/dbraw/zinc/80/84/00/1302808400.db2.gz SVTBSTLZWBIEGM-QRVBRYPASA-N 2 1 333.520 2.206 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359297 1302808415 /nfs/dbraw/zinc/80/84/15/1302808415.db2.gz SVTBSTLZWBIEGM-QRVBRYPASA-N 2 1 333.520 2.206 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448716 1309546770 /nfs/dbraw/zinc/54/67/70/1309546770.db2.gz DXIUSZMLEUAAMT-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001149921202 1316090339 /nfs/dbraw/zinc/09/03/39/1316090339.db2.gz KQJUCFQWYFHJEH-KRWDZBQOSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001149921202 1316090345 /nfs/dbraw/zinc/09/03/45/1316090345.db2.gz KQJUCFQWYFHJEH-KRWDZBQOSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001149921202 1316090348 /nfs/dbraw/zinc/09/03/48/1316090348.db2.gz KQJUCFQWYFHJEH-KRWDZBQOSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001150580741 1316306176 /nfs/dbraw/zinc/30/61/76/1316306176.db2.gz ZIMRHUCWNSZGKI-RBUKOAKNSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001150580741 1316306181 /nfs/dbraw/zinc/30/61/81/1316306181.db2.gz ZIMRHUCWNSZGKI-RBUKOAKNSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001150580741 1316306185 /nfs/dbraw/zinc/30/61/85/1316306185.db2.gz ZIMRHUCWNSZGKI-RBUKOAKNSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150626082 1316321009 /nfs/dbraw/zinc/32/10/09/1316321009.db2.gz SPHXZSRLCHAKHB-ROUUACIJSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626082 1316321012 /nfs/dbraw/zinc/32/10/12/1316321012.db2.gz SPHXZSRLCHAKHB-ROUUACIJSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626082 1316321015 /nfs/dbraw/zinc/32/10/15/1316321015.db2.gz SPHXZSRLCHAKHB-ROUUACIJSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761350 1316366965 /nfs/dbraw/zinc/36/69/65/1316366965.db2.gz MVRORIJTOUXKRV-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001152138320 1316637447 /nfs/dbraw/zinc/63/74/47/1316637447.db2.gz UWBJGAZHNYMEMJ-IYBDPMFKSA-N 2 1 347.890 2.270 20 30 EEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001155237933 1317517303 /nfs/dbraw/zinc/51/73/03/1317517303.db2.gz QSCSQERRMUCGCB-CRAIPNDOSA-N 2 1 325.472 2.049 20 30 EEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001155237933 1317517308 /nfs/dbraw/zinc/51/73/08/1317517308.db2.gz QSCSQERRMUCGCB-CRAIPNDOSA-N 2 1 325.472 2.049 20 30 EEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155237933 1317517296 /nfs/dbraw/zinc/51/72/96/1317517296.db2.gz QSCSQERRMUCGCB-CRAIPNDOSA-N 2 1 325.472 2.049 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155621004 1317676945 /nfs/dbraw/zinc/67/69/45/1317676945.db2.gz LDXBPNVOLMQBNP-MSOLQXFVSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001155621004 1317676950 /nfs/dbraw/zinc/67/69/50/1317676950.db2.gz LDXBPNVOLMQBNP-MSOLQXFVSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001155621004 1317676955 /nfs/dbraw/zinc/67/69/55/1317676955.db2.gz LDXBPNVOLMQBNP-MSOLQXFVSA-N 2 1 339.524 2.279 20 30 EEEDMP C=C[C@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001253576721 1317884930 /nfs/dbraw/zinc/88/49/30/1317884930.db2.gz HEMUMNSFFDYSPK-OALUTQOASA-N 2 1 330.472 2.289 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001158029705 1318977315 /nfs/dbraw/zinc/97/73/15/1318977315.db2.gz MAXVXFMWFDAQTG-IAGOWNOFSA-N 2 1 325.472 2.003 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC001158403234 1319221291 /nfs/dbraw/zinc/22/12/91/1319221291.db2.gz BRGCVWVWXPWYET-FUHWJXTLSA-N 2 1 346.450 2.024 20 30 EEEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001158555359 1319301189 /nfs/dbraw/zinc/30/11/89/1319301189.db2.gz RVMACIOSHZYHKX-QGZVFWFLSA-N 2 1 330.476 2.343 20 30 EEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001158555359 1319301195 /nfs/dbraw/zinc/30/11/95/1319301195.db2.gz RVMACIOSHZYHKX-QGZVFWFLSA-N 2 1 330.476 2.343 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001159328628 1319742049 /nfs/dbraw/zinc/74/20/49/1319742049.db2.gz UUTDJIVFOXMFLQ-LJQANCHMSA-N 2 1 345.462 2.148 20 30 EEEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001159839081 1320002004 /nfs/dbraw/zinc/00/20/04/1320002004.db2.gz TVYODKAFESJKJL-LJQANCHMSA-N 2 1 342.487 2.132 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119328 1320074434 /nfs/dbraw/zinc/07/44/34/1320074434.db2.gz ACLDRMVRDSPBLT-LJQANCHMSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119328 1320074439 /nfs/dbraw/zinc/07/44/39/1320074439.db2.gz ACLDRMVRDSPBLT-LJQANCHMSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119328 1320074443 /nfs/dbraw/zinc/07/44/43/1320074443.db2.gz ACLDRMVRDSPBLT-LJQANCHMSA-N 2 1 349.519 2.200 20 30 EEEDMP Cc1cnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c(C#C[Si](C)(C)C)c1 ZINC001160512920 1320180161 /nfs/dbraw/zinc/18/01/61/1320180161.db2.gz GFDIJSIHKRTANW-LJQANCHMSA-N 2 1 342.563 2.454 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986754 1320344071 /nfs/dbraw/zinc/34/40/71/1320344071.db2.gz VQRVFGWOMYTTPF-IBGZPJMESA-N 2 1 331.504 2.270 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986754 1320344074 /nfs/dbraw/zinc/34/40/74/1320344074.db2.gz VQRVFGWOMYTTPF-IBGZPJMESA-N 2 1 331.504 2.270 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986754 1320344077 /nfs/dbraw/zinc/34/40/77/1320344077.db2.gz VQRVFGWOMYTTPF-IBGZPJMESA-N 2 1 331.504 2.270 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C1CCC1 ZINC001162832054 1320970396 /nfs/dbraw/zinc/97/03/96/1320970396.db2.gz JAAIQOISGTYZBL-UHFFFAOYSA-N 2 1 329.488 2.318 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001163007040 1321011955 /nfs/dbraw/zinc/01/19/55/1321011955.db2.gz NOMVBLOKIVEUGI-UHFFFAOYSA-N 2 1 329.488 2.011 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC001164574317 1321421975 /nfs/dbraw/zinc/42/19/75/1321421975.db2.gz HETHMHIRWDSDJP-HOCLYGCPSA-N 2 1 346.450 2.024 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001165545274 1321543637 /nfs/dbraw/zinc/54/36/37/1321543637.db2.gz JZJFFQDROKKYOR-ABHNRTSZSA-N 2 1 331.504 2.006 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001165545274 1321543638 /nfs/dbraw/zinc/54/36/38/1321543638.db2.gz JZJFFQDROKKYOR-ABHNRTSZSA-N 2 1 331.504 2.006 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C12CCC2 ZINC001203426451 1321878693 /nfs/dbraw/zinc/87/86/93/1321878693.db2.gz KRQFLPNEBJGMPP-OALUTQOASA-N 2 1 341.499 2.364 20 30 EEEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001203815132 1321966451 /nfs/dbraw/zinc/96/64/51/1321966451.db2.gz MPNMZCQSYNGZLA-GOSISDBHSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203815132 1321966455 /nfs/dbraw/zinc/96/64/55/1321966455.db2.gz MPNMZCQSYNGZLA-GOSISDBHSA-N 2 1 339.524 2.258 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)CC1 ZINC001321695678 1333144485 /nfs/dbraw/zinc/14/44/85/1333144485.db2.gz UIQSXHCXYSPBHZ-IBGZPJMESA-N 2 1 342.487 2.203 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)CC1 ZINC001321695678 1333144489 /nfs/dbraw/zinc/14/44/89/1333144489.db2.gz UIQSXHCXYSPBHZ-IBGZPJMESA-N 2 1 342.487 2.203 20 30 EEEDMP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001578776739 1344303245 /nfs/dbraw/zinc/30/32/45/1344303245.db2.gz FGFHPIOSHNBRSQ-MOPGFXCFSA-N 2 1 341.455 2.484 20 30 EEEDMP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001578776739 1344303249 /nfs/dbraw/zinc/30/32/49/1344303249.db2.gz FGFHPIOSHNBRSQ-MOPGFXCFSA-N 2 1 341.455 2.484 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001393179898 1390356552 /nfs/dbraw/zinc/35/65/52/1390356552.db2.gz KNDWUVHQDSSOIX-AWEZNQCLSA-N 2 1 327.900 2.299 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001134759602 1367777130 /nfs/dbraw/zinc/77/71/30/1367777130.db2.gz UXMSTWZDGZVACU-GOSISDBHSA-N 2 1 346.450 2.166 20 30 EEEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156391 1368884712 /nfs/dbraw/zinc/88/47/12/1368884712.db2.gz DGRGOXNEQVHOFW-LJQANCHMSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3ccncc3)c1)C2 ZINC001098113235 1370301763 /nfs/dbraw/zinc/30/17/63/1370301763.db2.gz NTDHVZYTEMEQCT-KURKYZTESA-N 2 1 337.427 2.179 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113235 1370301780 /nfs/dbraw/zinc/30/17/80/1370301780.db2.gz NTDHVZYTEMEQCT-KURKYZTESA-N 2 1 337.427 2.179 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071939137 1370583071 /nfs/dbraw/zinc/58/30/71/1370583071.db2.gz QNRFSYZJMSYRCJ-DOTOQJQBSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071939137 1370583078 /nfs/dbraw/zinc/58/30/78/1370583078.db2.gz QNRFSYZJMSYRCJ-DOTOQJQBSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001111753336 1371241301 /nfs/dbraw/zinc/24/13/01/1371241301.db2.gz WBLWNUBIWOOHRR-BJLQDIEVSA-N 2 1 331.504 2.265 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001367862041 1374291569 /nfs/dbraw/zinc/29/15/69/1374291569.db2.gz MGGLNAMNWHQCCZ-GOEBONIOSA-N 2 1 327.900 2.488 20 30 EEEDMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001371769296 1375626458 /nfs/dbraw/zinc/62/64/58/1375626458.db2.gz JKEMJEZEJYZZAD-AWEZNQCLSA-N 2 1 346.450 2.166 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001377002961 1378911016 /nfs/dbraw/zinc/91/10/16/1378911016.db2.gz XUYHAXFMLXKNAA-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001377002961 1378911020 /nfs/dbraw/zinc/91/10/20/1378911020.db2.gz XUYHAXFMLXKNAA-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001377002961 1378911023 /nfs/dbraw/zinc/91/10/23/1378911023.db2.gz XUYHAXFMLXKNAA-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CCC([N@@H+](C)Cc2ccccc2C#N)CC1 ZINC001378905001 1380258928 /nfs/dbraw/zinc/25/89/28/1380258928.db2.gz OPKKMKYMXZGUOS-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001390609377 1388697335 /nfs/dbraw/zinc/69/73/35/1388697335.db2.gz HLAZIFITIMBNKW-LSDHHAIUSA-N 2 1 348.516 2.479 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001382306846 1382060761 /nfs/dbraw/zinc/06/07/61/1382060761.db2.gz COBFCSRNZMWSFP-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001382579769 1382137809 /nfs/dbraw/zinc/13/78/09/1382137809.db2.gz SJWOSPXWHWSLFE-UHFFFAOYSA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[N@H+](CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001752290023 1406266656 /nfs/dbraw/zinc/26/66/56/1406266656.db2.gz HXMQDSWWNZDARO-IBGZPJMESA-N 2 1 327.472 2.283 20 30 EEEDMP CC#CC[N@@H+](CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001752290023 1406266663 /nfs/dbraw/zinc/26/66/63/1406266663.db2.gz HXMQDSWWNZDARO-IBGZPJMESA-N 2 1 327.472 2.283 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCC1 ZINC001393558224 1390471379 /nfs/dbraw/zinc/47/13/79/1390471379.db2.gz VWTDTGJTEQCXRQ-CQSZACIVSA-N 2 1 336.867 2.135 20 30 EEEDMP C=C(Br)C[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001394392557 1390684055 /nfs/dbraw/zinc/68/40/55/1390684055.db2.gz RREVPQZDBKHFNJ-UHFFFAOYSA-N 2 1 346.313 2.160 20 30 EEEDMP C=C(Br)C[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001394392557 1390684053 /nfs/dbraw/zinc/68/40/53/1390684053.db2.gz RREVPQZDBKHFNJ-UHFFFAOYSA-N 2 1 346.313 2.160 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001399901153 1395621039 /nfs/dbraw/zinc/62/10/39/1395621039.db2.gz JRUOKHWMHRTISC-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001399901153 1395621043 /nfs/dbraw/zinc/62/10/43/1395621043.db2.gz JRUOKHWMHRTISC-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001399901153 1395621045 /nfs/dbraw/zinc/62/10/45/1395621045.db2.gz JRUOKHWMHRTISC-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001399901153 1395621049 /nfs/dbraw/zinc/62/10/49/1395621049.db2.gz JRUOKHWMHRTISC-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC/C=C/CC)C2)C1 ZINC001754564753 1406925459 /nfs/dbraw/zinc/92/54/59/1406925459.db2.gz IJNPDDQNXNYKCN-HRSGFYEVSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC/C=C/CC)C2)C1 ZINC001754564753 1406925465 /nfs/dbraw/zinc/92/54/65/1406925465.db2.gz IJNPDDQNXNYKCN-HRSGFYEVSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC/C=C/CC)C2)C1 ZINC001754564753 1406925472 /nfs/dbraw/zinc/92/54/72/1406925472.db2.gz IJNPDDQNXNYKCN-HRSGFYEVSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC/C=C/CC)C2)C1 ZINC001754564753 1406925476 /nfs/dbraw/zinc/92/54/76/1406925476.db2.gz IJNPDDQNXNYKCN-HRSGFYEVSA-N 2 1 343.515 2.365 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001423389926 1400565852 /nfs/dbraw/zinc/56/58/52/1400565852.db2.gz PXPIWCLVRQRYQL-CABCVRRESA-N 2 1 348.516 2.336 20 30 EEEDMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001755116669 1407127208 /nfs/dbraw/zinc/12/72/08/1407127208.db2.gz SHUZSMZWDHBFBY-MJGOQNOKSA-N 2 1 329.488 2.174 20 30 EEEDMP C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001755171079 1407182921 /nfs/dbraw/zinc/18/29/21/1407182921.db2.gz JFWGUVRCSMDZTL-LJQANCHMSA-N 2 1 327.472 2.067 20 30 EEEDMP C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001755171079 1407182925 /nfs/dbraw/zinc/18/29/25/1407182925.db2.gz JFWGUVRCSMDZTL-LJQANCHMSA-N 2 1 327.472 2.067 20 30 EEEDMP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001755516994 1407571859 /nfs/dbraw/zinc/57/18/59/1407571859.db2.gz RAPIURWZJKIMON-SJORKVTESA-N 2 1 342.487 2.275 20 30 EEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001112396826 1410896583 /nfs/dbraw/zinc/89/65/83/1410896583.db2.gz GQLNJNCSFGUDNO-BXWFABGCSA-N 2 1 328.460 2.165 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536732 1411034576 /nfs/dbraw/zinc/03/45/76/1411034576.db2.gz FWJNWHSUPCQMFT-QZTJIDSGSA-N 2 1 331.504 2.293 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC001024443781 761381726 /nfs/dbraw/zinc/38/17/26/761381726.db2.gz PHHISILNJIENJY-KZNAEPCWSA-N 2 1 342.487 2.311 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530103 782631422 /nfs/dbraw/zinc/63/14/22/782631422.db2.gz PESQVZNZHMTDJU-QFBILLFUSA-N 2 1 329.488 2.417 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966740 782661259 /nfs/dbraw/zinc/66/12/59/782661259.db2.gz SFJWPXYPLOEIDE-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089475878 769632817 /nfs/dbraw/zinc/63/28/17/769632817.db2.gz CCSUUUCRXCKSRO-INIZCTEOSA-N 2 1 331.460 2.195 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023111 782782741 /nfs/dbraw/zinc/78/27/41/782782741.db2.gz OWVRMDZLPAUFDP-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023111 782782748 /nfs/dbraw/zinc/78/27/48/782782748.db2.gz OWVRMDZLPAUFDP-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023111 782782756 /nfs/dbraw/zinc/78/27/56/782782756.db2.gz OWVRMDZLPAUFDP-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026534 782788257 /nfs/dbraw/zinc/78/82/57/782788257.db2.gz PIXBVIDKJSNNEI-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106453 782920665 /nfs/dbraw/zinc/92/06/65/782920665.db2.gz BBDNMWHREDCXBC-FUHIMQAGSA-N 2 1 349.494 2.003 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106453 782920670 /nfs/dbraw/zinc/92/06/70/782920670.db2.gz BBDNMWHREDCXBC-FUHIMQAGSA-N 2 1 349.494 2.003 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106453 782920673 /nfs/dbraw/zinc/92/06/73/782920673.db2.gz BBDNMWHREDCXBC-FUHIMQAGSA-N 2 1 349.494 2.003 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101397018 783008306 /nfs/dbraw/zinc/00/83/06/783008306.db2.gz VWLNENQSJBGHRF-GGPKGHCWSA-N 2 1 333.520 2.156 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089646270 773682771 /nfs/dbraw/zinc/68/27/71/773682771.db2.gz NBSNHLVFJJNPQN-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089646270 773682775 /nfs/dbraw/zinc/68/27/75/773682775.db2.gz NBSNHLVFJJNPQN-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089646270 773682780 /nfs/dbraw/zinc/68/27/80/773682780.db2.gz NBSNHLVFJJNPQN-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001089705873 774559441 /nfs/dbraw/zinc/55/94/41/774559441.db2.gz BVXRIVLNIVVDQE-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089705873 774559444 /nfs/dbraw/zinc/55/94/44/774559444.db2.gz BVXRIVLNIVVDQE-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089705873 774559447 /nfs/dbraw/zinc/55/94/47/774559447.db2.gz BVXRIVLNIVVDQE-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089705873 774559450 /nfs/dbraw/zinc/55/94/50/774559450.db2.gz BVXRIVLNIVVDQE-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089734823 774812438 /nfs/dbraw/zinc/81/24/38/774812438.db2.gz YPZDTUAGMHIXPN-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734823 774812445 /nfs/dbraw/zinc/81/24/45/774812445.db2.gz YPZDTUAGMHIXPN-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734823 774812449 /nfs/dbraw/zinc/81/24/49/774812449.db2.gz YPZDTUAGMHIXPN-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000981836337 778310180 /nfs/dbraw/zinc/31/01/80/778310180.db2.gz BCIDYVGIAZCIMR-UHFFFAOYSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137916 778345885 /nfs/dbraw/zinc/34/58/85/778345885.db2.gz PHHZVQFKTAJLQG-LJQANCHMSA-N 2 1 327.472 2.008 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292761 779577959 /nfs/dbraw/zinc/57/79/59/779577959.db2.gz WWNPPOSFRVNZID-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292761 779577965 /nfs/dbraw/zinc/57/79/65/779577965.db2.gz WWNPPOSFRVNZID-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292761 779577974 /nfs/dbraw/zinc/57/79/74/779577974.db2.gz WWNPPOSFRVNZID-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297729 779614744 /nfs/dbraw/zinc/61/47/44/779614744.db2.gz PAJIRPGCRLSBEX-HDICACEKSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297729 779614749 /nfs/dbraw/zinc/61/47/49/779614749.db2.gz PAJIRPGCRLSBEX-HDICACEKSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297729 779614754 /nfs/dbraw/zinc/61/47/54/779614754.db2.gz PAJIRPGCRLSBEX-HDICACEKSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297729 779614759 /nfs/dbraw/zinc/61/47/59/779614759.db2.gz PAJIRPGCRLSBEX-HDICACEKSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@H](C)CC)C[C@]2(C)C1 ZINC000982298946 779623877 /nfs/dbraw/zinc/62/38/77/779623877.db2.gz SACYNCABZHWMKJ-JYRKZWEQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@H](C)CC)C[C@]2(C)C1 ZINC000982298946 779623879 /nfs/dbraw/zinc/62/38/79/779623879.db2.gz SACYNCABZHWMKJ-JYRKZWEQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@H](C)CC)C[C@]2(C)C1 ZINC000982298946 779623880 /nfs/dbraw/zinc/62/38/80/779623880.db2.gz SACYNCABZHWMKJ-JYRKZWEQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C[C@H](C)CC)C[C@]2(C)C1 ZINC000982298946 779623881 /nfs/dbraw/zinc/62/38/81/779623881.db2.gz SACYNCABZHWMKJ-JYRKZWEQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C[C@H](C)CC)C[C@]2(C)C1 ZINC000982298946 779623882 /nfs/dbraw/zinc/62/38/82/779623882.db2.gz SACYNCABZHWMKJ-JYRKZWEQSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105395813 781888989 /nfs/dbraw/zinc/88/89/89/781888989.db2.gz FRNGNEZUJXWZQQ-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105395813 781888995 /nfs/dbraw/zinc/88/89/95/781888995.db2.gz FRNGNEZUJXWZQQ-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105395813 781889000 /nfs/dbraw/zinc/88/90/00/781889000.db2.gz FRNGNEZUJXWZQQ-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135860819 784649220 /nfs/dbraw/zinc/64/92/20/784649220.db2.gz HYODXRBGQZRYMS-HOTGVXAUSA-N 2 1 330.476 2.273 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995914862 785838521 /nfs/dbraw/zinc/83/85/21/785838521.db2.gz GEPDSQVPRKJNKY-KBPBESRZSA-N 2 1 336.867 2.340 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000996711706 787235205 /nfs/dbraw/zinc/23/52/05/787235205.db2.gz KOROLKSJMWHHKV-HOTGVXAUSA-N 2 1 325.884 2.336 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC000997150203 789172796 /nfs/dbraw/zinc/17/27/96/789172796.db2.gz WKQXIRKJCUSPAJ-NUJGCVRESA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC000997150203 789172806 /nfs/dbraw/zinc/17/28/06/789172806.db2.gz WKQXIRKJCUSPAJ-NUJGCVRESA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672350 792089409 /nfs/dbraw/zinc/08/94/09/792089409.db2.gz MPAVXIPVEQJAKS-XLIONFOSSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001032640310 793343257 /nfs/dbraw/zinc/34/32/57/793343257.db2.gz FOHWRTTUOOSEFU-HAGHYFMRSA-N 2 1 339.483 2.193 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001032640310 793343268 /nfs/dbraw/zinc/34/32/68/793343268.db2.gz FOHWRTTUOOSEFU-HAGHYFMRSA-N 2 1 339.483 2.193 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001032640310 793343277 /nfs/dbraw/zinc/34/32/77/793343277.db2.gz FOHWRTTUOOSEFU-HAGHYFMRSA-N 2 1 339.483 2.193 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092101453 793561542 /nfs/dbraw/zinc/56/15/42/793561542.db2.gz FGQUFEWICRVDDX-CTNGQTDRSA-N 2 1 339.483 2.165 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccc2F)C1 ZINC000998921986 793564931 /nfs/dbraw/zinc/56/49/31/793564931.db2.gz CJJIBRNKNILUNB-TVPLGVNVSA-N 2 1 343.446 2.002 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccc2F)C1 ZINC000998921986 793564933 /nfs/dbraw/zinc/56/49/33/793564933.db2.gz CJJIBRNKNILUNB-TVPLGVNVSA-N 2 1 343.446 2.002 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=C)Cl)CC3)CC1 ZINC000992515749 794472769 /nfs/dbraw/zinc/47/27/69/794472769.db2.gz ZSRWNNBPGIZDTI-PKOBYXMFSA-N 2 1 349.906 2.197 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001093224582 794879109 /nfs/dbraw/zinc/87/91/09/794879109.db2.gz BTAPXUNZNSEDPQ-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093224582 794879114 /nfs/dbraw/zinc/87/91/14/794879114.db2.gz BTAPXUNZNSEDPQ-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093224582 794879119 /nfs/dbraw/zinc/87/91/19/794879119.db2.gz BTAPXUNZNSEDPQ-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036802223 795080399 /nfs/dbraw/zinc/08/03/99/795080399.db2.gz ZYRFQOOBQYPSHW-DOTOQJQBSA-N 2 1 331.460 2.454 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036802223 795080404 /nfs/dbraw/zinc/08/04/04/795080404.db2.gz ZYRFQOOBQYPSHW-DOTOQJQBSA-N 2 1 331.460 2.454 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3cnccc3N(C)C)CC[C@@H]21 ZINC001036871653 795597000 /nfs/dbraw/zinc/59/70/00/795597000.db2.gz OGWUPXMVTOPSQS-HOCLYGCPSA-N 2 1 348.878 2.437 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871653 795597005 /nfs/dbraw/zinc/59/70/05/795597005.db2.gz OGWUPXMVTOPSQS-HOCLYGCPSA-N 2 1 348.878 2.437 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001080190941 795694637 /nfs/dbraw/zinc/69/46/37/795694637.db2.gz OOBKJPBRDDJECD-VQIMIIECSA-N 2 1 329.488 2.417 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106590993 795902105 /nfs/dbraw/zinc/90/21/05/795902105.db2.gz IGQWGFGZXDKRSR-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106591130 795902951 /nfs/dbraw/zinc/90/29/51/795902951.db2.gz OURVQWHZUQPGOA-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158872 796335877 /nfs/dbraw/zinc/33/58/77/796335877.db2.gz WZJHTMSHJBMXSQ-XWSJACJDSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCC2)CC1 ZINC001032800404 796415597 /nfs/dbraw/zinc/41/55/97/796415597.db2.gz HIJAGLVQGFVLPN-PMACEKPBSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825895 796740323 /nfs/dbraw/zinc/74/03/23/796740323.db2.gz JVOSECUIBVJTNZ-INIZCTEOSA-N 2 1 330.476 2.050 20 30 EEEDMP CN1CCC[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@H]21 ZINC001172991004 797201081 /nfs/dbraw/zinc/20/10/81/797201081.db2.gz TYVSBBZQFGPMLL-LTIDMASMSA-N 2 1 348.491 2.304 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082200095 797291965 /nfs/dbraw/zinc/29/19/65/797291965.db2.gz QDHBGRSDDWXJDG-KZNAEPCWSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001082200095 797291970 /nfs/dbraw/zinc/29/19/70/797291970.db2.gz QDHBGRSDDWXJDG-KZNAEPCWSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001082200095 797291973 /nfs/dbraw/zinc/29/19/73/797291973.db2.gz QDHBGRSDDWXJDG-KZNAEPCWSA-N 2 1 337.508 2.031 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(=C)C)[C@@H]2C)CC1 ZINC000994492801 798090495 /nfs/dbraw/zinc/09/04/95/798090495.db2.gz BRELNFLENYIEGZ-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723777 798403979 /nfs/dbraw/zinc/40/39/79/798403979.db2.gz YACUMUGSAUOJDZ-RTBURBONSA-N 2 1 327.472 2.471 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089405946 798415241 /nfs/dbraw/zinc/41/52/41/798415241.db2.gz FLFOFSXTZPLFBF-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(CC)CC)[C@H]2C1 ZINC001084961267 798579934 /nfs/dbraw/zinc/57/99/34/798579934.db2.gz XGZSMZTVXWBCCK-AABGKKOBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(CC)CC)[C@H]2C1 ZINC001084961267 798579935 /nfs/dbraw/zinc/57/99/35/798579935.db2.gz XGZSMZTVXWBCCK-AABGKKOBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(CC)CC)[C@H]2C1 ZINC001084961267 798579937 /nfs/dbraw/zinc/57/99/37/798579937.db2.gz XGZSMZTVXWBCCK-AABGKKOBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(CC)CC)[C@H]2C1 ZINC001084961267 798579938 /nfs/dbraw/zinc/57/99/38/798579938.db2.gz XGZSMZTVXWBCCK-AABGKKOBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001016331712 798593644 /nfs/dbraw/zinc/59/36/44/798593644.db2.gz KTPYBXFIBJQWPJ-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072575 798653744 /nfs/dbraw/zinc/65/37/44/798653744.db2.gz HYAKONBHASXWFX-LMNJBCLMSA-N 2 1 339.483 2.019 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072575 798653746 /nfs/dbraw/zinc/65/37/46/798653746.db2.gz HYAKONBHASXWFX-LMNJBCLMSA-N 2 1 339.483 2.019 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001177345060 798879396 /nfs/dbraw/zinc/87/93/96/798879396.db2.gz LBNYUAXMDBMDTL-UHFFFAOYSA-N 2 1 333.520 2.493 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001178045307 799228685 /nfs/dbraw/zinc/22/86/85/799228685.db2.gz IHGIFFKLHWFLGF-HXUWFJFHSA-N 2 1 341.499 2.399 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178736075 799606839 /nfs/dbraw/zinc/60/68/39/799606839.db2.gz MVSOGPRUHVFMGE-ULQDDVLXSA-N 2 1 348.491 2.178 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1C ZINC001179976247 800194579 /nfs/dbraw/zinc/19/45/79/800194579.db2.gz LAYMPZCBFGJBOI-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)C1 ZINC001085421917 800480056 /nfs/dbraw/zinc/48/00/56/800480056.db2.gz BBBJLDKBHGCPIS-IAOVAPTHSA-N 2 1 346.500 2.088 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](C)CC)C1 ZINC001181763714 800896357 /nfs/dbraw/zinc/89/63/57/800896357.db2.gz HYCQNJPBBPEQIW-FTEYMNFISA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](C)CC)C1 ZINC001181763714 800896364 /nfs/dbraw/zinc/89/63/64/800896364.db2.gz HYCQNJPBBPEQIW-FTEYMNFISA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001182614743 801279065 /nfs/dbraw/zinc/27/90/65/801279065.db2.gz PFUSKICICSUFCV-WRWLIDTKSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001184702127 802137618 /nfs/dbraw/zinc/13/76/18/802137618.db2.gz UFRYVAUSJLOBBC-CVEARBPZSA-N 2 1 348.491 2.390 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001086390402 802877969 /nfs/dbraw/zinc/87/79/69/802877969.db2.gz RPWTXWMBTCSAIT-IHPCNDPISA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001086390402 802877975 /nfs/dbraw/zinc/87/79/75/802877975.db2.gz RPWTXWMBTCSAIT-IHPCNDPISA-N 2 1 339.483 2.077 20 30 EEEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001109114135 804973925 /nfs/dbraw/zinc/97/39/25/804973925.db2.gz ZAKGALUKXBZIHR-VSZNYVQBSA-N 2 1 337.508 2.009 20 30 EEEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001109114135 804973931 /nfs/dbraw/zinc/97/39/31/804973931.db2.gz ZAKGALUKXBZIHR-VSZNYVQBSA-N 2 1 337.508 2.009 20 30 EEEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001109114135 804973934 /nfs/dbraw/zinc/97/39/34/804973934.db2.gz ZAKGALUKXBZIHR-VSZNYVQBSA-N 2 1 337.508 2.009 20 30 EEEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001109114135 804973939 /nfs/dbraw/zinc/97/39/39/804973939.db2.gz ZAKGALUKXBZIHR-VSZNYVQBSA-N 2 1 337.508 2.009 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001129790604 810990268 /nfs/dbraw/zinc/99/02/68/810990268.db2.gz DADKTEZQIBURHC-YOEHRIQHSA-N 2 1 333.863 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001129790604 810990275 /nfs/dbraw/zinc/99/02/75/810990275.db2.gz DADKTEZQIBURHC-YOEHRIQHSA-N 2 1 333.863 2.204 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130411966 811599553 /nfs/dbraw/zinc/59/95/53/811599553.db2.gz GIAUQVAMNGZEOV-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438527330 1091020766 /nfs/dbraw/zinc/02/07/66/1091020766.db2.gz FUAKOTWPHATOEP-INIZCTEOSA-N 2 1 344.503 2.378 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001441670731 1095643151 /nfs/dbraw/zinc/64/31/51/1095643151.db2.gz FDKMGVMXHWOIDV-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccc(C#N)cc1 ZINC001442401158 1096721907 /nfs/dbraw/zinc/72/19/07/1096721907.db2.gz KBZUYJGRXFGVCB-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001446953644 1101650534 /nfs/dbraw/zinc/65/05/34/1101650534.db2.gz SVODNXMEYHETEP-GJZGRUSLSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494857031 1104462664 /nfs/dbraw/zinc/46/26/64/1104462664.db2.gz QODWLUHXECZGEU-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494857031 1104462670 /nfs/dbraw/zinc/46/26/70/1104462670.db2.gz QODWLUHXECZGEU-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494857031 1104462673 /nfs/dbraw/zinc/46/26/73/1104462673.db2.gz QODWLUHXECZGEU-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494857031 1104462675 /nfs/dbraw/zinc/46/26/75/1104462675.db2.gz QODWLUHXECZGEU-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000491643259 246094247 /nfs/dbraw/zinc/09/42/47/246094247.db2.gz DTTMTWKDVIHTCP-OAHLLOKOSA-N 2 1 343.240 2.166 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000491643259 246094255 /nfs/dbraw/zinc/09/42/55/246094255.db2.gz DTTMTWKDVIHTCP-OAHLLOKOSA-N 2 1 343.240 2.166 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000491699779 246117573 /nfs/dbraw/zinc/11/75/73/246117573.db2.gz CQFRKAWKCYEAKE-CABCVRRESA-N 2 1 330.419 2.288 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000491699779 246117576 /nfs/dbraw/zinc/11/75/76/246117576.db2.gz CQFRKAWKCYEAKE-CABCVRRESA-N 2 1 330.419 2.288 20 30 EEEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000491809145 246163389 /nfs/dbraw/zinc/16/33/89/246163389.db2.gz WZDCDKWYUVKNSM-HDICACEKSA-N 2 1 341.499 2.394 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000491744513 533105810 /nfs/dbraw/zinc/10/58/10/533105810.db2.gz JFHVRKLFLGOOAC-SFHVURJKSA-N 2 1 345.462 2.109 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000491744513 533105816 /nfs/dbraw/zinc/10/58/16/533105816.db2.gz JFHVRKLFLGOOAC-SFHVURJKSA-N 2 1 345.462 2.109 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000491744513 533105817 /nfs/dbraw/zinc/10/58/17/533105817.db2.gz JFHVRKLFLGOOAC-SFHVURJKSA-N 2 1 345.462 2.109 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000491804711 533103998 /nfs/dbraw/zinc/10/39/98/533103998.db2.gz MSXFULNNIUURRH-UHFFFAOYSA-N 2 1 348.535 2.284 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396961 781985574 /nfs/dbraw/zinc/98/55/74/781985574.db2.gz ZTOJWHVDDCQFRJ-HXUWFJFHSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396961 781985579 /nfs/dbraw/zinc/98/55/79/781985579.db2.gz ZTOJWHVDDCQFRJ-HXUWFJFHSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396961 781985589 /nfs/dbraw/zinc/98/55/89/781985589.db2.gz ZTOJWHVDDCQFRJ-HXUWFJFHSA-N 2 1 345.531 2.443 20 30 EEEDMP COc1cc[nH+]c(N2CCN(Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000191996436 160165004 /nfs/dbraw/zinc/16/50/04/160165004.db2.gz ZYWXBIQYQKLHKM-UHFFFAOYSA-N 2 1 326.375 2.423 20 30 EEEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N1CCOCC1 ZINC000104162726 290392916 /nfs/dbraw/zinc/39/29/16/290392916.db2.gz BVQDMGYLCGFUKI-INIZCTEOSA-N 2 1 330.476 2.208 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000491327842 468351368 /nfs/dbraw/zinc/35/13/68/468351368.db2.gz YGWWIMSYPMMYLY-HKUYNNGSSA-N 2 1 342.487 2.076 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000491327842 468351372 /nfs/dbraw/zinc/35/13/72/468351372.db2.gz YGWWIMSYPMMYLY-HKUYNNGSSA-N 2 1 342.487 2.076 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000491327842 468351377 /nfs/dbraw/zinc/35/13/77/468351377.db2.gz YGWWIMSYPMMYLY-HKUYNNGSSA-N 2 1 342.487 2.076 20 30 EEEDMP CCCn1ccnc1CCC[N@@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000277138256 463886282 /nfs/dbraw/zinc/88/62/82/463886282.db2.gz IXGYTQBZHIWDPE-MRXNPFEDSA-N 2 1 333.480 2.166 20 30 EEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000277138256 463886290 /nfs/dbraw/zinc/88/62/90/463886290.db2.gz IXGYTQBZHIWDPE-MRXNPFEDSA-N 2 1 333.480 2.166 20 30 EEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000262178179 463965549 /nfs/dbraw/zinc/96/55/49/463965549.db2.gz WJEYIJHRPWTRND-MRXNPFEDSA-N 2 1 335.879 2.384 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccccc2F)C1 ZINC000290869356 464135077 /nfs/dbraw/zinc/13/50/77/464135077.db2.gz AUNAAFXONKRCAV-HZPDHXFCSA-N 2 1 347.482 2.041 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000264135497 464287284 /nfs/dbraw/zinc/28/72/84/464287284.db2.gz ZPVWDGDQKPACAG-LSDHHAIUSA-N 2 1 348.491 2.229 20 30 EEEDMP C[N@H+]1CCN(CCNC(=[NH2+])Nc2cccc3c2CCCC3)CC1(C)C ZINC000281800490 464590072 /nfs/dbraw/zinc/59/00/72/464590072.db2.gz OZJTZBCCGQLERN-UHFFFAOYSA-N 2 1 343.519 2.318 20 30 EEEDMP C=CCN1CC[C@@H](N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740011 464677807 /nfs/dbraw/zinc/67/78/07/464677807.db2.gz YCGNTKOGKMBZEX-CTNGQTDRSA-N 2 1 339.483 2.371 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000247588458 464696514 /nfs/dbraw/zinc/69/65/14/464696514.db2.gz JGVTVYHAEQTTMM-SJORKVTESA-N 2 1 336.524 2.447 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000247808486 464707590 /nfs/dbraw/zinc/70/75/90/464707590.db2.gz UCCBBKOWPGGVKE-DLBZAZTESA-N 2 1 336.524 2.447 20 30 EEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C(C)C ZINC000343250572 465493849 /nfs/dbraw/zinc/49/38/49/465493849.db2.gz ZYYBYHWEQBPCKT-YSTOQKLRSA-N 2 1 335.536 2.432 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000330023898 465509766 /nfs/dbraw/zinc/50/97/66/465509766.db2.gz JHJQHSYZVFGBSU-CYBMUJFWSA-N 2 1 344.463 2.402 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000330023898 465509772 /nfs/dbraw/zinc/50/97/72/465509772.db2.gz JHJQHSYZVFGBSU-CYBMUJFWSA-N 2 1 344.463 2.402 20 30 EEEDMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000330893382 465848429 /nfs/dbraw/zinc/84/84/29/465848429.db2.gz QUDQEUVTTDDZJP-STQMWFEESA-N 2 1 347.463 2.201 20 30 EEEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555553045 468483252 /nfs/dbraw/zinc/48/32/52/468483252.db2.gz YCOFUCARMCNXTP-OAHLLOKOSA-N 2 1 326.448 2.345 20 30 EEEDMP N#CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000424161230 466993432 /nfs/dbraw/zinc/99/34/32/466993432.db2.gz VHXRSRNSMWATCS-HNNXBMFYSA-N 2 1 332.473 2.195 20 30 EEEDMP C[C@@H](c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1)[NH+]1CCOCC1 ZINC000424164508 466994716 /nfs/dbraw/zinc/99/47/16/466994716.db2.gz ZLJRMBFCFMMUDZ-WMLDXEAASA-N 2 1 330.432 2.039 20 30 EEEDMP C=CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000414784528 467436020 /nfs/dbraw/zinc/43/60/20/467436020.db2.gz IKVROHYAGBFCTO-KRWDZBQOSA-N 2 1 346.471 2.447 20 30 EEEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC1(C#N)CCC1 ZINC000530337021 467976902 /nfs/dbraw/zinc/97/69/02/467976902.db2.gz AYAXSWFCSUWOLM-JYJNAYRXSA-N 2 1 332.492 2.180 20 30 EEEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC1(C#N)CCC1 ZINC000530337021 467976906 /nfs/dbraw/zinc/97/69/06/467976906.db2.gz AYAXSWFCSUWOLM-JYJNAYRXSA-N 2 1 332.492 2.180 20 30 EEEDMP C=CCSCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000517602020 468091132 /nfs/dbraw/zinc/09/11/32/468091132.db2.gz BWPYXWHFZDBSLM-UHFFFAOYSA-N 2 1 339.549 2.218 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000517651117 468092177 /nfs/dbraw/zinc/09/21/77/468092177.db2.gz WSGCQPBASJYYCO-UHFFFAOYSA-N 2 1 349.438 2.276 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000106265840 526590584 /nfs/dbraw/zinc/59/05/84/526590584.db2.gz FOXUDXBKBBLIDB-UHFFFAOYSA-N 2 1 344.503 2.458 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NNCC[NH+]1CCCCC1 ZINC000734365817 577291755 /nfs/dbraw/zinc/29/17/55/577291755.db2.gz UIZNYZKOOOCVLW-KRWDZBQOSA-N 2 1 329.492 2.355 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC=C)CC1 ZINC001021469392 676117536 /nfs/dbraw/zinc/11/75/36/676117536.db2.gz AWOLZFFEKJBFTR-YQQQUEKLSA-N 2 1 329.488 2.019 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682537 676338344 /nfs/dbraw/zinc/33/83/44/676338344.db2.gz RHAIRVWNMVYGLA-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972372793 678620452 /nfs/dbraw/zinc/62/04/52/678620452.db2.gz DCNOGMQXDPRHNP-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972372793 678620455 /nfs/dbraw/zinc/62/04/55/678620455.db2.gz DCNOGMQXDPRHNP-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972372793 678620457 /nfs/dbraw/zinc/62/04/57/678620457.db2.gz DCNOGMQXDPRHNP-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001023514232 679352344 /nfs/dbraw/zinc/35/23/44/679352344.db2.gz JMCUOCAMJJCSKY-KRWDZBQOSA-N 2 1 336.439 2.337 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001024546695 680078347 /nfs/dbraw/zinc/07/83/47/680078347.db2.gz CAHIBGDASBLAHN-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982605294 681782976 /nfs/dbraw/zinc/78/29/76/681782976.db2.gz KEVVVSXCRSKPBN-QRQLOZEOSA-N 2 1 328.460 2.028 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273410 682380263 /nfs/dbraw/zinc/38/02/63/682380263.db2.gz DYUPRGZHADYHDD-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029011613 682670240 /nfs/dbraw/zinc/67/02/40/682670240.db2.gz AVZABJNYYCPSBD-MRXNPFEDSA-N 2 1 331.460 2.196 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000987269755 689563760 /nfs/dbraw/zinc/56/37/60/689563760.db2.gz TVDBIPPPBSOIRH-WMLDXEAASA-N 2 1 325.416 2.036 20 30 EEEDMP C#CCC[N@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458653 691911460 /nfs/dbraw/zinc/91/14/60/691911460.db2.gz KWGWNDNPILZIDI-FQEVSTJZSA-N 2 1 327.472 2.021 20 30 EEEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458653 691911464 /nfs/dbraw/zinc/91/14/64/691911464.db2.gz KWGWNDNPILZIDI-FQEVSTJZSA-N 2 1 327.472 2.021 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244324 692474496 /nfs/dbraw/zinc/47/44/96/692474496.db2.gz ITVCCYRGXNHGSG-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244324 692474500 /nfs/dbraw/zinc/47/45/00/692474500.db2.gz ITVCCYRGXNHGSG-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040244324 692474502 /nfs/dbraw/zinc/47/45/02/692474502.db2.gz ITVCCYRGXNHGSG-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC3CC(C)C3)CC2(C)C)CC1 ZINC000977650706 692879628 /nfs/dbraw/zinc/87/96/28/692879628.db2.gz FDSHVKJKPXZTSD-TVPLGVNVSA-N 2 1 345.531 2.204 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cn(C)c2cc(F)ccc12 ZINC000184653334 1192060910 /nfs/dbraw/zinc/06/09/10/1192060910.db2.gz CVQWSHDDKSHWRB-INIZCTEOSA-N 2 1 345.466 2.249 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001076625928 1189053236 /nfs/dbraw/zinc/05/32/36/1189053236.db2.gz HMHGVWXIOZVICZ-DOTOQJQBSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819262 1194445396 /nfs/dbraw/zinc/44/53/96/1194445396.db2.gz YMVQCQJPEARULH-HCXYKTFWSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946819262 1194445401 /nfs/dbraw/zinc/44/54/01/1194445401.db2.gz YMVQCQJPEARULH-HCXYKTFWSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946819262 1194445403 /nfs/dbraw/zinc/44/54/03/1194445403.db2.gz YMVQCQJPEARULH-HCXYKTFWSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415745 1194536375 /nfs/dbraw/zinc/53/63/75/1194536375.db2.gz KGIKNIRFRBCVJV-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033415745 1194536379 /nfs/dbraw/zinc/53/63/79/1194536379.db2.gz KGIKNIRFRBCVJV-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033415745 1194536383 /nfs/dbraw/zinc/53/63/83/1194536383.db2.gz KGIKNIRFRBCVJV-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001033837296 1195355536 /nfs/dbraw/zinc/35/55/36/1195355536.db2.gz HACOYHAASIQDRI-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001033837296 1195355540 /nfs/dbraw/zinc/35/55/40/1195355540.db2.gz HACOYHAASIQDRI-MAUKXSAKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001005399108 1195369733 /nfs/dbraw/zinc/36/97/33/1195369733.db2.gz PXSJDJKMUFRGJQ-MRXNPFEDSA-N 2 1 325.884 2.004 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115429 1195757960 /nfs/dbraw/zinc/75/79/60/1195757960.db2.gz QBFGXKRZQHEQSN-LJQANCHMSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034329911 1196099248 /nfs/dbraw/zinc/09/92/48/1196099248.db2.gz JROKVQFTENNEAH-GOSISDBHSA-N 2 1 327.472 2.008 20 30 EEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001034734782 1196634444 /nfs/dbraw/zinc/63/44/44/1196634444.db2.gz YQKOOENRMSTOKG-IIDMSEBBSA-N 2 1 325.472 2.402 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001034973018 1196930804 /nfs/dbraw/zinc/93/08/04/1196930804.db2.gz JSBJCAHNQYRLRK-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001132273002 1199520875 /nfs/dbraw/zinc/52/08/75/1199520875.db2.gz CWWJBKSTGYSONT-KBPBESRZSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)s1 ZINC001132273002 1199520879 /nfs/dbraw/zinc/52/08/79/1199520879.db2.gz CWWJBKSTGYSONT-KBPBESRZSA-N 2 1 334.489 2.041 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001132737377 1199965146 /nfs/dbraw/zinc/96/51/46/1199965146.db2.gz LDXQJXNBZCPJGO-GOSISDBHSA-N 2 1 345.462 2.005 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000888777306 1201136688 /nfs/dbraw/zinc/13/66/88/1201136688.db2.gz NVAJRHJLSNTBKQ-KURKYZTESA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000888777306 1201136691 /nfs/dbraw/zinc/13/66/91/1201136691.db2.gz NVAJRHJLSNTBKQ-KURKYZTESA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000888777306 1201136696 /nfs/dbraw/zinc/13/66/96/1201136696.db2.gz NVAJRHJLSNTBKQ-KURKYZTESA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000888777306 1201136701 /nfs/dbraw/zinc/13/67/01/1201136701.db2.gz NVAJRHJLSNTBKQ-KURKYZTESA-N 2 1 346.519 2.036 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000884214051 1202265605 /nfs/dbraw/zinc/26/56/05/1202265605.db2.gz RWUGOJMYPOGPNZ-OAHLLOKOSA-N 2 1 341.377 2.472 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(OC)c1 ZINC000136903011 1202470917 /nfs/dbraw/zinc/47/09/17/1202470917.db2.gz ZTCRTYCUZJLLNZ-INIZCTEOSA-N 2 1 332.492 2.361 20 30 EEEDMP C=CCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12 ZINC001274964693 1205219071 /nfs/dbraw/zinc/21/90/71/1205219071.db2.gz VENHCNDXIFRPJX-QZTJIDSGSA-N 2 1 331.504 2.408 20 30 EEEDMP C#CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001275975206 1205612255 /nfs/dbraw/zinc/61/22/55/1205612255.db2.gz NZJAHOLPAUEPEB-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110959739 1206445095 /nfs/dbraw/zinc/44/50/95/1206445095.db2.gz ZKARLJNVVOOBBP-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110959739 1206445096 /nfs/dbraw/zinc/44/50/96/1206445096.db2.gz ZKARLJNVVOOBBP-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439158 1209138881 /nfs/dbraw/zinc/13/88/81/1209138881.db2.gz ISRDCEWKFNUUNS-IAGOWNOFSA-N 2 1 328.460 2.097 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439158 1209138882 /nfs/dbraw/zinc/13/88/82/1209138882.db2.gz ISRDCEWKFNUUNS-IAGOWNOFSA-N 2 1 328.460 2.097 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000948449887 1209145942 /nfs/dbraw/zinc/14/59/42/1209145942.db2.gz XZVLSGSLNMGOOL-OGNIYVCYSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000948449887 1209145944 /nfs/dbraw/zinc/14/59/44/1209145944.db2.gz XZVLSGSLNMGOOL-OGNIYVCYSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC000948449887 1209145946 /nfs/dbraw/zinc/14/59/46/1209145946.db2.gz XZVLSGSLNMGOOL-OGNIYVCYSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC000948449887 1209145947 /nfs/dbraw/zinc/14/59/47/1209145947.db2.gz XZVLSGSLNMGOOL-OGNIYVCYSA-N 2 1 337.895 2.149 20 30 EEEDMP CCCNC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000303881334 1213919537 /nfs/dbraw/zinc/91/95/37/1213919537.db2.gz KUQSHVDYVRAZTA-UHFFFAOYSA-N 2 1 337.899 2.166 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000960268843 1216460849 /nfs/dbraw/zinc/46/08/49/1216460849.db2.gz PQJBADAVIUPINV-MOIQIXESSA-N 2 1 347.890 2.451 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000960268843 1216460852 /nfs/dbraw/zinc/46/08/52/1216460852.db2.gz PQJBADAVIUPINV-MOIQIXESSA-N 2 1 347.890 2.451 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000960330951 1216498473 /nfs/dbraw/zinc/49/84/73/1216498473.db2.gz XKEGCEYGLGTWEN-DJIMGWMZSA-N 2 1 333.863 2.062 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000960330951 1216498476 /nfs/dbraw/zinc/49/84/76/1216498476.db2.gz XKEGCEYGLGTWEN-DJIMGWMZSA-N 2 1 333.863 2.062 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961204806 1217088392 /nfs/dbraw/zinc/08/83/92/1217088392.db2.gz ZTDJKSAAUOKKTR-ROUUACIJSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961204806 1217088394 /nfs/dbraw/zinc/08/83/94/1217088394.db2.gz ZTDJKSAAUOKKTR-ROUUACIJSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961369497 1217161396 /nfs/dbraw/zinc/16/13/96/1217161396.db2.gz YKZGYAKIFMSGKT-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961369497 1217161397 /nfs/dbraw/zinc/16/13/97/1217161397.db2.gz YKZGYAKIFMSGKT-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961369497 1217161399 /nfs/dbraw/zinc/16/13/99/1217161399.db2.gz YKZGYAKIFMSGKT-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911714 1225817805 /nfs/dbraw/zinc/81/78/05/1225817805.db2.gz SSUBYGNLFBZNIO-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911714 1225817812 /nfs/dbraw/zinc/81/78/12/1225817812.db2.gz SSUBYGNLFBZNIO-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000968644500 1221459472 /nfs/dbraw/zinc/45/94/72/1221459472.db2.gz ADOWIGWRQQXJQH-MOPGFXCFSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(Cl)CN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007493849 1222259040 /nfs/dbraw/zinc/25/90/40/1222259040.db2.gz VSYNZZZDCSVNTQ-HOTGVXAUSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277733 1222731421 /nfs/dbraw/zinc/73/14/21/1222731421.db2.gz VXPSPNKQYJQEGS-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008277733 1222731428 /nfs/dbraw/zinc/73/14/28/1222731428.db2.gz VXPSPNKQYJQEGS-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008277733 1222731432 /nfs/dbraw/zinc/73/14/32/1222731432.db2.gz VXPSPNKQYJQEGS-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018836457 1228444533 /nfs/dbraw/zinc/44/45/33/1228444533.db2.gz ADOWIGWRQQXJQH-RBUKOAKNSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018837514 1228444876 /nfs/dbraw/zinc/44/48/76/1228444876.db2.gz PAWBCYBSQPFQOM-YOEHRIQHSA-N 2 1 346.500 2.183 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001018986286 1228608142 /nfs/dbraw/zinc/60/81/42/1228608142.db2.gz XLLBLRKIVKAGIF-HBFSDRIKSA-N 2 1 339.483 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001018986286 1228608144 /nfs/dbraw/zinc/60/81/44/1228608144.db2.gz XLLBLRKIVKAGIF-HBFSDRIKSA-N 2 1 339.483 2.344 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001039152407 1230371725 /nfs/dbraw/zinc/37/17/25/1230371725.db2.gz YTTKCCSFJCWUMH-PMACEKPBSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039152407 1230371727 /nfs/dbraw/zinc/37/17/27/1230371727.db2.gz YTTKCCSFJCWUMH-PMACEKPBSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039152407 1230371731 /nfs/dbraw/zinc/37/17/31/1230371731.db2.gz YTTKCCSFJCWUMH-PMACEKPBSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039163393 1230384854 /nfs/dbraw/zinc/38/48/54/1230384854.db2.gz BQXKYRZGNPXVCR-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039163393 1230384857 /nfs/dbraw/zinc/38/48/57/1230384857.db2.gz BQXKYRZGNPXVCR-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039163393 1230384862 /nfs/dbraw/zinc/38/48/62/1230384862.db2.gz BQXKYRZGNPXVCR-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039165699 1230386846 /nfs/dbraw/zinc/38/68/46/1230386846.db2.gz RIPGKOLOBGYCBZ-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039165699 1230386850 /nfs/dbraw/zinc/38/68/50/1230386850.db2.gz RIPGKOLOBGYCBZ-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039165699 1230386855 /nfs/dbraw/zinc/38/68/55/1230386855.db2.gz RIPGKOLOBGYCBZ-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039180494 1230407331 /nfs/dbraw/zinc/40/73/31/1230407331.db2.gz QYFARKAKPGHTIF-SFHVURJKSA-N 2 1 331.504 2.219 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040496821 1231263653 /nfs/dbraw/zinc/26/36/53/1231263653.db2.gz MMTDODYFCXSVTR-LJQANCHMSA-N 2 1 328.460 2.262 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040496821 1231263655 /nfs/dbraw/zinc/26/36/55/1231263655.db2.gz MMTDODYFCXSVTR-LJQANCHMSA-N 2 1 328.460 2.262 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040848208 1231387007 /nfs/dbraw/zinc/38/70/07/1231387007.db2.gz FVXPQOHNELNKRZ-GDBMZVCRSA-N 2 1 339.911 2.251 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432792 1231544774 /nfs/dbraw/zinc/54/47/74/1231544774.db2.gz SRAJXUGOTARQJL-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432792 1231544777 /nfs/dbraw/zinc/54/47/77/1231544777.db2.gz SRAJXUGOTARQJL-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041432792 1231544780 /nfs/dbraw/zinc/54/47/80/1231544780.db2.gz SRAJXUGOTARQJL-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677996 1231647257 /nfs/dbraw/zinc/64/72/57/1231647257.db2.gz FGDASGGGOCKTIJ-WOJBJXKFSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001041677996 1231647259 /nfs/dbraw/zinc/64/72/59/1231647259.db2.gz FGDASGGGOCKTIJ-WOJBJXKFSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001041677996 1231647261 /nfs/dbraw/zinc/64/72/61/1231647261.db2.gz FGDASGGGOCKTIJ-WOJBJXKFSA-N 2 1 349.494 2.147 20 30 EEEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001045668022 1233895999 /nfs/dbraw/zinc/89/59/99/1233895999.db2.gz YAMUCYXALLZXGW-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045938827 1234193926 /nfs/dbraw/zinc/19/39/26/1234193926.db2.gz MARMCTWJOBAXML-QWFCFKBJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938827 1234193930 /nfs/dbraw/zinc/19/39/30/1234193930.db2.gz MARMCTWJOBAXML-QWFCFKBJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938827 1234193933 /nfs/dbraw/zinc/19/39/33/1234193933.db2.gz MARMCTWJOBAXML-QWFCFKBJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]cn1)C2 ZINC001045973512 1234258239 /nfs/dbraw/zinc/25/82/39/1234258239.db2.gz SCQHXTDAPNCKNK-VQIMIIECSA-N 2 1 330.476 2.479 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001045973512 1234258241 /nfs/dbraw/zinc/25/82/41/1234258241.db2.gz SCQHXTDAPNCKNK-VQIMIIECSA-N 2 1 330.476 2.479 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001045973512 1234258246 /nfs/dbraw/zinc/25/82/46/1234258246.db2.gz SCQHXTDAPNCKNK-VQIMIIECSA-N 2 1 330.476 2.479 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577473 1234957269 /nfs/dbraw/zinc/95/72/69/1234957269.db2.gz YGVDVBDAXCMWNP-QFBILLFUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577473 1234957271 /nfs/dbraw/zinc/95/72/71/1234957271.db2.gz YGVDVBDAXCMWNP-QFBILLFUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046941763 1235334338 /nfs/dbraw/zinc/33/43/38/1235334338.db2.gz PZZXHYGRMNKLGK-HRCADAONSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046941763 1235334331 /nfs/dbraw/zinc/33/43/31/1235334331.db2.gz PZZXHYGRMNKLGK-HRCADAONSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046941763 1235334335 /nfs/dbraw/zinc/33/43/35/1235334335.db2.gz PZZXHYGRMNKLGK-HRCADAONSA-N 2 1 343.462 2.366 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001047243972 1235735737 /nfs/dbraw/zinc/73/57/37/1235735737.db2.gz OILOQUFJGSJRES-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)CC1 ZINC001000173743 1240024415 /nfs/dbraw/zinc/02/44/15/1240024415.db2.gz IUJHFLUPWIJDRF-SFHVURJKSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049166071 1240166257 /nfs/dbraw/zinc/16/62/57/1240166257.db2.gz NAASJDZBUSJVAW-FUHIMQAGSA-N 2 1 327.472 2.040 20 30 EEEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)CC1 ZINC001000336020 1240181700 /nfs/dbraw/zinc/18/17/00/1240181700.db2.gz WGMZQRVRFRFSBB-GOSISDBHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)CC1 ZINC001000336020 1240181703 /nfs/dbraw/zinc/18/17/03/1240181703.db2.gz WGMZQRVRFRFSBB-GOSISDBHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001000551259 1240502494 /nfs/dbraw/zinc/50/24/94/1240502494.db2.gz DBIWQTHYQDLIMA-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000777806 1240921473 /nfs/dbraw/zinc/92/14/73/1240921473.db2.gz QJVIHEGYDBFRKC-LJQANCHMSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001000777806 1240921481 /nfs/dbraw/zinc/92/14/81/1240921481.db2.gz QJVIHEGYDBFRKC-LJQANCHMSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001000777806 1240921491 /nfs/dbraw/zinc/92/14/91/1240921491.db2.gz QJVIHEGYDBFRKC-LJQANCHMSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001000786843 1240937861 /nfs/dbraw/zinc/93/78/61/1240937861.db2.gz AFDDKXNWEXEJFN-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001000786843 1240937865 /nfs/dbraw/zinc/93/78/65/1240937865.db2.gz AFDDKXNWEXEJFN-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC2CCCC2)CC1 ZINC001000786843 1240937871 /nfs/dbraw/zinc/93/78/71/1240937871.db2.gz AFDDKXNWEXEJFN-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC2CCCC2)CC1 ZINC001000786843 1240937876 /nfs/dbraw/zinc/93/78/76/1240937876.db2.gz AFDDKXNWEXEJFN-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049483683 1241091947 /nfs/dbraw/zinc/09/19/47/1241091947.db2.gz CGKNVXYWUHMHEY-YESZJQIVSA-N 2 1 328.460 2.095 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049483683 1241091952 /nfs/dbraw/zinc/09/19/52/1241091952.db2.gz CGKNVXYWUHMHEY-YESZJQIVSA-N 2 1 328.460 2.095 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001049672442 1241837360 /nfs/dbraw/zinc/83/73/60/1241837360.db2.gz SOXSQNZCYMOOIG-YTQUADARSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001049672442 1241837364 /nfs/dbraw/zinc/83/73/64/1241837364.db2.gz SOXSQNZCYMOOIG-YTQUADARSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001049719910 1241987373 /nfs/dbraw/zinc/98/73/73/1241987373.db2.gz PINVTAFRDWZQJO-FCEWJHQRSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049719910 1241987389 /nfs/dbraw/zinc/98/73/89/1241987389.db2.gz PINVTAFRDWZQJO-FCEWJHQRSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049719910 1241987397 /nfs/dbraw/zinc/98/73/97/1241987397.db2.gz PINVTAFRDWZQJO-FCEWJHQRSA-N 2 1 337.483 2.450 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050131173 1242943531 /nfs/dbraw/zinc/94/35/31/1242943531.db2.gz RCJXPFPVMNEJTL-JKSUJKDBSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050131173 1242943537 /nfs/dbraw/zinc/94/35/37/1242943537.db2.gz RCJXPFPVMNEJTL-JKSUJKDBSA-N 2 1 325.884 2.004 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001050164908 1243022605 /nfs/dbraw/zinc/02/26/05/1243022605.db2.gz ONYZAFPYKSWKPE-VQTJNVASSA-N 2 1 339.483 2.308 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)CC1 ZINC001050635952 1244001978 /nfs/dbraw/zinc/00/19/78/1244001978.db2.gz VRENPNXYHIHYGO-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097738063 1244548825 /nfs/dbraw/zinc/54/88/25/1244548825.db2.gz YCKCJIGVRIXIES-IDCNUPLLSA-N 2 1 328.460 2.052 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097738063 1244548833 /nfs/dbraw/zinc/54/88/33/1244548833.db2.gz YCKCJIGVRIXIES-IDCNUPLLSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052827864 1245093045 /nfs/dbraw/zinc/09/30/45/1245093045.db2.gz WQPRKPUDCAPQMO-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052827864 1245093049 /nfs/dbraw/zinc/09/30/49/1245093049.db2.gz WQPRKPUDCAPQMO-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CCC[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@@H+]3C)cccc2C1 ZINC001051283881 1245476651 /nfs/dbraw/zinc/47/66/51/1245476651.db2.gz PZBQHBPCBHGJLF-LJQANCHMSA-N 2 1 327.472 2.331 20 30 EEEDMP C=CCC[N@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C)cccc2C1 ZINC001051283881 1245476653 /nfs/dbraw/zinc/47/66/53/1245476653.db2.gz PZBQHBPCBHGJLF-LJQANCHMSA-N 2 1 327.472 2.331 20 30 EEEDMP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C)cccc2C1 ZINC001051283881 1245476656 /nfs/dbraw/zinc/47/66/56/1245476656.db2.gz PZBQHBPCBHGJLF-LJQANCHMSA-N 2 1 327.472 2.331 20 30 EEEDMP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001052937639 1245514974 /nfs/dbraw/zinc/51/49/74/1245514974.db2.gz MQWPOIOLYNCUFP-FQEVSTJZSA-N 2 1 339.483 2.105 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001101547874 1245952713 /nfs/dbraw/zinc/95/27/13/1245952713.db2.gz TXUDAYOFIZMWAH-QGZVFWFLSA-N 2 1 342.487 2.248 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001101573859 1245978165 /nfs/dbraw/zinc/97/81/65/1245978165.db2.gz GUMITWSLDINSAB-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001054041548 1247201768 /nfs/dbraw/zinc/20/17/68/1247201768.db2.gz NWFCICVWZJVKPH-WOJBJXKFSA-N 2 1 339.483 2.057 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001054041548 1247201777 /nfs/dbraw/zinc/20/17/77/1247201777.db2.gz NWFCICVWZJVKPH-WOJBJXKFSA-N 2 1 339.483 2.057 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054239724 1247830503 /nfs/dbraw/zinc/83/05/03/1247830503.db2.gz KQTMARIRGOTCHZ-DOTOQJQBSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054239724 1247830518 /nfs/dbraw/zinc/83/05/18/1247830518.db2.gz KQTMARIRGOTCHZ-DOTOQJQBSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054239724 1247830525 /nfs/dbraw/zinc/83/05/25/1247830525.db2.gz KQTMARIRGOTCHZ-DOTOQJQBSA-N 2 1 325.884 2.005 20 30 EEEDMP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270542 1247958064 /nfs/dbraw/zinc/95/80/64/1247958064.db2.gz RPAVQRYPMFDWTP-IBGZPJMESA-N 2 1 325.456 2.126 20 30 EEEDMP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270542 1247958074 /nfs/dbraw/zinc/95/80/74/1247958074.db2.gz RPAVQRYPMFDWTP-IBGZPJMESA-N 2 1 325.456 2.126 20 30 EEEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270542 1247958085 /nfs/dbraw/zinc/95/80/85/1247958085.db2.gz RPAVQRYPMFDWTP-IBGZPJMESA-N 2 1 325.456 2.126 20 30 EEEDMP C=C(Cl)CN1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072849327 1255431006 /nfs/dbraw/zinc/43/10/06/1255431006.db2.gz ACSOZNAEIYSYJK-CVEARBPZSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072849327 1255431010 /nfs/dbraw/zinc/43/10/10/1255431010.db2.gz ACSOZNAEIYSYJK-CVEARBPZSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072849327 1255431016 /nfs/dbraw/zinc/43/10/16/1255431016.db2.gz ACSOZNAEIYSYJK-CVEARBPZSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001072849327 1255431019 /nfs/dbraw/zinc/43/10/19/1255431019.db2.gz ACSOZNAEIYSYJK-CVEARBPZSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072849327 1255431021 /nfs/dbraw/zinc/43/10/21/1255431021.db2.gz ACSOZNAEIYSYJK-CVEARBPZSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C[C@@H](C)O2 ZINC001098635769 1257735054 /nfs/dbraw/zinc/73/50/54/1257735054.db2.gz RWXJYOVSHINLNA-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001099583407 1258227367 /nfs/dbraw/zinc/22/73/67/1258227367.db2.gz QVPRUURFGIXETN-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099583407 1258227372 /nfs/dbraw/zinc/22/73/72/1258227372.db2.gz QVPRUURFGIXETN-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099583407 1258227376 /nfs/dbraw/zinc/22/73/76/1258227376.db2.gz QVPRUURFGIXETN-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100859783 1259358510 /nfs/dbraw/zinc/35/85/10/1259358510.db2.gz BYNAHVYJIYWZDD-KVZIAJEVSA-N 2 1 327.472 2.187 20 30 EEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174216 1280720769 /nfs/dbraw/zinc/72/07/69/1280720769.db2.gz DIGUWNKDQBTCEL-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190174216 1280720775 /nfs/dbraw/zinc/72/07/75/1280720775.db2.gz DIGUWNKDQBTCEL-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190174216 1280720778 /nfs/dbraw/zinc/72/07/78/1280720778.db2.gz DIGUWNKDQBTCEL-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190248019 1280757956 /nfs/dbraw/zinc/75/79/56/1280757956.db2.gz WORKYEIETZKQCC-IRXDYDNUSA-N 2 1 348.491 2.132 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190248019 1280757965 /nfs/dbraw/zinc/75/79/65/1280757965.db2.gz WORKYEIETZKQCC-IRXDYDNUSA-N 2 1 348.491 2.132 20 30 EEEDMP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193630024 1282610392 /nfs/dbraw/zinc/61/03/92/1282610392.db2.gz AXMUUBOREXXEGB-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193630024 1282610408 /nfs/dbraw/zinc/61/04/08/1282610408.db2.gz AXMUUBOREXXEGB-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193630024 1282610422 /nfs/dbraw/zinc/61/04/22/1282610422.db2.gz AXMUUBOREXXEGB-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001193630024 1282610437 /nfs/dbraw/zinc/61/04/37/1282610437.db2.gz AXMUUBOREXXEGB-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001201321166 1289476358 /nfs/dbraw/zinc/47/63/58/1289476358.db2.gz GGWPJDXBFSCMIV-UHFFFAOYSA-N 2 1 341.499 2.349 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCCO1 ZINC001201547337 1289643035 /nfs/dbraw/zinc/64/30/35/1289643035.db2.gz QVNZIUWEPRFSCB-QGZVFWFLSA-N 2 1 348.491 2.180 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071896578 1294981117 /nfs/dbraw/zinc/98/11/17/1294981117.db2.gz GZULWXRERFFDEC-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738232 1296086162 /nfs/dbraw/zinc/08/61/62/1296086162.db2.gz LCTZSRQZGJVGDG-QGZVFWFLSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001072738232 1296086169 /nfs/dbraw/zinc/08/61/69/1296086169.db2.gz LCTZSRQZGJVGDG-QGZVFWFLSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001072738232 1296086173 /nfs/dbraw/zinc/08/61/73/1296086173.db2.gz LCTZSRQZGJVGDG-QGZVFWFLSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214850343 1296620106 /nfs/dbraw/zinc/62/01/06/1296620106.db2.gz SWRXIFPOOAXJCI-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C1CC[NH2+]C[C@@H]1Oc1ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc1 ZINC001218210943 1297600501 /nfs/dbraw/zinc/60/05/01/1297600501.db2.gz MRAZRBRRYOXIRE-IRXDYDNUSA-N 2 1 332.444 2.195 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001099548722 1299209350 /nfs/dbraw/zinc/20/93/50/1299209350.db2.gz ZOLGIRXGQWLOGM-OKYOBFRVSA-N 2 1 343.515 2.217 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222086011 1299335816 /nfs/dbraw/zinc/33/58/16/1299335816.db2.gz BAZIDUNIXFYPMY-QGZVFWFLSA-N 2 1 335.879 2.452 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222086011 1299335833 /nfs/dbraw/zinc/33/58/33/1299335833.db2.gz BAZIDUNIXFYPMY-QGZVFWFLSA-N 2 1 335.879 2.452 20 30 EEEDMP C#Cc1cccc(C[N@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)c1 ZINC001222135798 1299377790 /nfs/dbraw/zinc/37/77/90/1299377790.db2.gz ICXOKGNHQMSADX-ICSRJNTNSA-N 2 1 326.440 2.033 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109453 1300324512 /nfs/dbraw/zinc/32/45/12/1300324512.db2.gz LCNMEUYMGYFUEL-OWCLPIDISA-N 2 1 348.491 2.389 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109453 1300324524 /nfs/dbraw/zinc/32/45/24/1300324524.db2.gz LCNMEUYMGYFUEL-OWCLPIDISA-N 2 1 348.491 2.389 20 30 EEEDMP C#CCCC[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276978754 1300635030 /nfs/dbraw/zinc/63/50/30/1300635030.db2.gz RBWLCSMPIYSZPC-UYAOXDASSA-N 2 1 331.504 2.102 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001225228159 1300934739 /nfs/dbraw/zinc/93/47/39/1300934739.db2.gz GGECXVOZUXLQRG-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001227543396 1301875812 /nfs/dbraw/zinc/87/58/12/1301875812.db2.gz IIIOBVGGABRUCF-HZPDHXFCSA-N 2 1 330.476 2.355 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102993605 1302039414 /nfs/dbraw/zinc/03/94/14/1302039414.db2.gz CGODKBOIOTUJDA-QRQLOZEOSA-N 2 1 333.520 2.369 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001229860675 1302968569 /nfs/dbraw/zinc/96/85/69/1302968569.db2.gz YVOKWNSHGGHEEY-RTBURBONSA-N 2 1 342.487 2.417 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001229895164 1302979288 /nfs/dbraw/zinc/97/92/88/1302979288.db2.gz FYBIIDKBMJNNBJ-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001229895164 1302979290 /nfs/dbraw/zinc/97/92/90/1302979290.db2.gz FYBIIDKBMJNNBJ-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1cccnc1 ZINC001230846836 1303498892 /nfs/dbraw/zinc/49/88/92/1303498892.db2.gz YOTNULVXAWTFQW-GOSISDBHSA-N 2 1 344.503 2.308 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1cccnc1 ZINC001230846836 1303498897 /nfs/dbraw/zinc/49/88/97/1303498897.db2.gz YOTNULVXAWTFQW-GOSISDBHSA-N 2 1 344.503 2.308 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1cccnc1 ZINC001230846836 1303498902 /nfs/dbraw/zinc/49/89/02/1303498902.db2.gz YOTNULVXAWTFQW-GOSISDBHSA-N 2 1 344.503 2.308 20 30 EEEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])cc2)c1 ZINC001235995203 1305470924 /nfs/dbraw/zinc/47/09/24/1305470924.db2.gz QPYHHEJSUFVREF-UFRUDQCGSA-N 2 1 334.423 2.026 20 30 EEEDMP COC(=O)[C@@](C)([NH3+])Cc1cccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240360280 1309311759 /nfs/dbraw/zinc/31/17/59/1309311759.db2.gz AJXNTKYRYNFFQO-NRFANRHFSA-N 2 1 349.434 2.345 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120430920 1309533103 /nfs/dbraw/zinc/53/31/03/1309533103.db2.gz OJGPFMIGXUWYHC-MSOLQXFVSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120430920 1309533113 /nfs/dbraw/zinc/53/31/13/1309533113.db2.gz OJGPFMIGXUWYHC-MSOLQXFVSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120430920 1309533119 /nfs/dbraw/zinc/53/31/19/1309533119.db2.gz OJGPFMIGXUWYHC-MSOLQXFVSA-N 2 1 333.520 2.301 20 30 EEEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120878348 1309808331 /nfs/dbraw/zinc/80/83/31/1309808331.db2.gz CJEMDSPAYASCAC-QAELIBMJSA-N 2 1 349.519 2.080 20 30 EEEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120878348 1309808342 /nfs/dbraw/zinc/80/83/42/1309808342.db2.gz CJEMDSPAYASCAC-QAELIBMJSA-N 2 1 349.519 2.080 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121595833 1310064287 /nfs/dbraw/zinc/06/42/87/1310064287.db2.gz YQJXXCWXGWEFMV-INIZCTEOSA-N 2 1 346.523 2.240 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001121915956 1310172760 /nfs/dbraw/zinc/17/27/60/1310172760.db2.gz UUFWWMVDNVCLOA-UFQJCFOOSA-N 2 1 349.519 2.080 20 30 EEEDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142928970 1315802685 /nfs/dbraw/zinc/80/26/85/1315802685.db2.gz QEVRWYQERLLKBL-UHFFFAOYSA-N 2 1 342.443 2.356 20 30 EEEDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142928970 1315802689 /nfs/dbraw/zinc/80/26/89/1315802689.db2.gz QEVRWYQERLLKBL-UHFFFAOYSA-N 2 1 342.443 2.356 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150444909 1316266412 /nfs/dbraw/zinc/26/64/12/1316266412.db2.gz QRSYQEALXHTUTD-GOSISDBHSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150444909 1316266416 /nfs/dbraw/zinc/26/64/16/1316266416.db2.gz QRSYQEALXHTUTD-GOSISDBHSA-N 2 1 348.491 2.145 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001152445584 1316672071 /nfs/dbraw/zinc/67/20/71/1316672071.db2.gz KALOOPSXVILNKO-GOSISDBHSA-N 2 1 347.890 2.272 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001152451819 1316673018 /nfs/dbraw/zinc/67/30/18/1316673018.db2.gz IMEPKEMYJHCTHT-SFHVURJKSA-N 2 1 347.890 2.272 20 30 EEEDMP CCN(Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153451339 1316830270 /nfs/dbraw/zinc/83/02/70/1316830270.db2.gz ALHPEPZPJJWWDB-GPMSIDNRSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451339 1316830273 /nfs/dbraw/zinc/83/02/73/1316830273.db2.gz ALHPEPZPJJWWDB-GPMSIDNRSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451339 1316830276 /nfs/dbraw/zinc/83/02/76/1316830276.db2.gz ALHPEPZPJJWWDB-GPMSIDNRSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153451339 1316830277 /nfs/dbraw/zinc/83/02/77/1316830277.db2.gz ALHPEPZPJJWWDB-GPMSIDNRSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153451339 1316830280 /nfs/dbraw/zinc/83/02/80/1316830280.db2.gz ALHPEPZPJJWWDB-GPMSIDNRSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023465 1317423605 /nfs/dbraw/zinc/42/36/05/1317423605.db2.gz HAXVMFDCUYDIGW-CQSZACIVSA-N 2 1 348.516 2.288 20 30 EEEDMP C=C[C@@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001253576722 1317885097 /nfs/dbraw/zinc/88/50/97/1317885097.db2.gz HEMUMNSFFDYSPK-RBUKOAKNSA-N 2 1 330.472 2.289 20 30 EEEDMP C[N@@H+](CCO)CCC[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254351779 1318049170 /nfs/dbraw/zinc/04/91/70/1318049170.db2.gz SZPMADVPUDVYGF-UHFFFAOYSA-N 2 1 333.451 2.433 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C#N)cc1F ZINC001156525201 1318053798 /nfs/dbraw/zinc/05/37/98/1318053798.db2.gz IIWRZQOUWUTCKJ-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C#N)cc1F ZINC001156525201 1318053805 /nfs/dbraw/zinc/05/38/05/1318053805.db2.gz IIWRZQOUWUTCKJ-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)cc1F ZINC001156525201 1318053814 /nfs/dbraw/zinc/05/38/14/1318053814.db2.gz IIWRZQOUWUTCKJ-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1F ZINC001156525201 1318053824 /nfs/dbraw/zinc/05/38/24/1318053824.db2.gz IIWRZQOUWUTCKJ-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP C#CCOCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529951 1318764784 /nfs/dbraw/zinc/76/47/84/1318764784.db2.gz ZFMPUBLZSMVECM-QUCCMNQESA-N 2 1 330.472 2.296 20 30 EEEDMP C#CCOCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529951 1318764796 /nfs/dbraw/zinc/76/47/96/1318764796.db2.gz ZFMPUBLZSMVECM-QUCCMNQESA-N 2 1 330.472 2.296 20 30 EEEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256865831 1318881923 /nfs/dbraw/zinc/88/19/23/1318881923.db2.gz YYPVZUWYKRLCIS-INIZCTEOSA-N 2 1 344.459 2.427 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001159328208 1319741209 /nfs/dbraw/zinc/74/12/09/1319741209.db2.gz QTKCYICWJQSKQJ-SFHVURJKSA-N 2 1 346.450 2.168 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001159908245 1320017139 /nfs/dbraw/zinc/01/71/39/1320017139.db2.gz HPVBIONDOFJEIX-HXUWFJFHSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160855952 1320293400 /nfs/dbraw/zinc/29/34/00/1320293400.db2.gz DORJUXPEKNAMTG-UHFFFAOYSA-N 2 1 349.519 2.202 20 30 EEEDMP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160869686 1320298387 /nfs/dbraw/zinc/29/83/87/1320298387.db2.gz RKQKIKPIIUIDMD-MOPGFXCFSA-N 2 1 340.471 2.171 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CC[C@H](C)F)CC2)CC1 ZINC001161947106 1320688945 /nfs/dbraw/zinc/68/89/45/1320688945.db2.gz YFQBRARGSMQOTP-KRWDZBQOSA-N 2 1 349.494 2.218 20 30 EEEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001162929461 1320990806 /nfs/dbraw/zinc/99/08/06/1320990806.db2.gz YQAJOYCSGWZXHB-QUCCMNQESA-N 2 1 343.515 2.421 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813288 1321965397 /nfs/dbraw/zinc/96/53/97/1321965397.db2.gz CASIOQZPANLYNX-OALUTQOASA-N 2 1 339.483 2.159 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813288 1321965399 /nfs/dbraw/zinc/96/53/99/1321965399.db2.gz CASIOQZPANLYNX-OALUTQOASA-N 2 1 339.483 2.159 20 30 EEEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)cc2)c1 ZINC001205221419 1322318536 /nfs/dbraw/zinc/31/85/36/1322318536.db2.gz UQIULIYRNPOHDR-FQEVSTJZSA-N 2 1 336.439 2.296 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](C)C ZINC001207643538 1324064840 /nfs/dbraw/zinc/06/48/40/1324064840.db2.gz ACMDEWDXUOGMNZ-XYPHTWIQSA-N 2 1 348.516 2.142 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](C)C ZINC001207643538 1324064843 /nfs/dbraw/zinc/06/48/43/1324064843.db2.gz ACMDEWDXUOGMNZ-XYPHTWIQSA-N 2 1 348.516 2.142 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576518 1324571064 /nfs/dbraw/zinc/57/10/64/1324571064.db2.gz LSWLHLQLHKHPBA-MRXNPFEDSA-N 2 1 330.476 2.309 20 30 EEEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccns2)CC3)cc1C#N ZINC001276591969 1324679343 /nfs/dbraw/zinc/67/93/43/1324679343.db2.gz WJPVXKGAVJUSSQ-UHFFFAOYSA-N 2 1 341.484 2.451 20 30 EEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210643939 1325364426 /nfs/dbraw/zinc/36/44/26/1325364426.db2.gz MGSWHVCLCBLLSG-RBUKOAKNSA-N 2 1 327.472 2.283 20 30 EEEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC001198775662 1368643902 /nfs/dbraw/zinc/64/39/02/1368643902.db2.gz JDHQVLAVTVENQY-IAGOWNOFSA-N 2 1 331.460 2.112 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(C)c1 ZINC001117781636 1371762048 /nfs/dbraw/zinc/76/20/48/1371762048.db2.gz IXNCTTQQOHKKBH-HXUWFJFHSA-N 2 1 341.499 2.421 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001117781636 1371762050 /nfs/dbraw/zinc/76/20/50/1371762050.db2.gz IXNCTTQQOHKKBH-HXUWFJFHSA-N 2 1 341.499 2.421 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001117781636 1371762052 /nfs/dbraw/zinc/76/20/52/1371762052.db2.gz IXNCTTQQOHKKBH-HXUWFJFHSA-N 2 1 341.499 2.421 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001368396969 1374383103 /nfs/dbraw/zinc/38/31/03/1374383103.db2.gz DIEAHVHBKUPOPL-RBUKOAKNSA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001368396969 1374383106 /nfs/dbraw/zinc/38/31/06/1374383106.db2.gz DIEAHVHBKUPOPL-RBUKOAKNSA-N 2 1 342.487 2.177 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001393637644 1390505933 /nfs/dbraw/zinc/50/59/33/1390505933.db2.gz UKXZENUYJOLWAK-UHFFFAOYSA-N 2 1 342.487 2.180 20 30 EEEDMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001752894651 1406524103 /nfs/dbraw/zinc/52/41/03/1406524103.db2.gz KSKNIYLTTODOAG-BQFCYCMXSA-N 2 1 345.462 2.002 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001399075984 1394660550 /nfs/dbraw/zinc/66/05/50/1394660550.db2.gz AHEZYYMKJMSBEJ-HNNXBMFYSA-N 2 1 339.443 2.138 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001401113092 1396947047 /nfs/dbraw/zinc/94/70/47/1396947047.db2.gz CQNMRFKEBUBWDD-CZUORRHYSA-N 2 1 327.900 2.488 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001754945190 1407005436 /nfs/dbraw/zinc/00/54/36/1407005436.db2.gz SNHODPOMMDHRQF-KRWDZBQOSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCO1 ZINC001755010489 1407030780 /nfs/dbraw/zinc/03/07/80/1407030780.db2.gz FJAMHMNGIOJFDT-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCOCC1 ZINC001755099153 1407111468 /nfs/dbraw/zinc/11/14/68/1407111468.db2.gz STJGTSLNWFHXIU-UHFFFAOYSA-N 2 1 339.524 2.186 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001423423956 1400574655 /nfs/dbraw/zinc/57/46/55/1400574655.db2.gz ZWMPVQGDJOEUOM-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001423423956 1400574656 /nfs/dbraw/zinc/57/46/56/1400574656.db2.gz ZWMPVQGDJOEUOM-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001423423956 1400574660 /nfs/dbraw/zinc/57/46/60/1400574660.db2.gz ZWMPVQGDJOEUOM-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001755284891 1407292897 /nfs/dbraw/zinc/29/28/97/1407292897.db2.gz FUNDFLDFOWLFAA-IBGZPJMESA-N 2 1 339.499 2.296 20 30 EEEDMP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001733010280 1405986479 /nfs/dbraw/zinc/98/64/79/1405986479.db2.gz UCOCNHOWIBXVDC-YJBOKZPZSA-N 2 1 347.890 2.270 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001755840037 1407889916 /nfs/dbraw/zinc/88/99/16/1407889916.db2.gz QJADWCSNUPZQRP-LJQANCHMSA-N 2 1 343.515 2.499 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001112397124 1410895964 /nfs/dbraw/zinc/89/59/64/1410895964.db2.gz TXQTXCQGNLUVFY-DYXWJJEUSA-N 2 1 345.531 2.206 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839476 782350473 /nfs/dbraw/zinc/35/04/73/782350473.db2.gz CZUGDJWQQAMIDO-RBUKOAKNSA-N 2 1 327.472 2.354 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104378936 759945985 /nfs/dbraw/zinc/94/59/85/759945985.db2.gz NWTJEUJZRLGFGK-GUDVDZBRSA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089564545 770408539 /nfs/dbraw/zinc/40/85/39/770408539.db2.gz BQPBBKNTETVETB-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564545 770408543 /nfs/dbraw/zinc/40/85/43/770408543.db2.gz BQPBBKNTETVETB-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564545 770408546 /nfs/dbraw/zinc/40/85/46/770408546.db2.gz BQPBBKNTETVETB-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000979999345 773688803 /nfs/dbraw/zinc/68/88/03/773688803.db2.gz JBRDFBLJQDSNOK-FHWLQOOXSA-N 2 1 343.515 2.102 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980138966 773928619 /nfs/dbraw/zinc/92/86/19/773928619.db2.gz IEDJFCXNNLKGFE-BZSNNMDCSA-N 2 1 336.439 2.188 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC000980181572 774015305 /nfs/dbraw/zinc/01/53/05/774015305.db2.gz FAYMQCJHRIXKFS-SLFFLAALSA-N 2 1 339.483 2.212 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC000997624672 790469661 /nfs/dbraw/zinc/46/96/61/790469661.db2.gz WKQXIRKJCUSPAJ-BQFCYCMXSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC000997624672 790469663 /nfs/dbraw/zinc/46/96/63/790469663.db2.gz WKQXIRKJCUSPAJ-BQFCYCMXSA-N 2 1 337.483 2.049 20 30 EEEDMP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000981420079 777359397 /nfs/dbraw/zinc/35/93/97/777359397.db2.gz AFRUQZVLHUJGFW-HZPDHXFCSA-N 2 1 325.416 2.084 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000981600238 777779761 /nfs/dbraw/zinc/77/97/61/777779761.db2.gz UYQWVKZGHBRVRB-UHFFFAOYSA-N 2 1 339.443 2.381 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087442217 780132522 /nfs/dbraw/zinc/13/25/22/780132522.db2.gz YJOAPRUQOALNBT-RTBURBONSA-N 2 1 339.483 2.243 20 30 EEEDMP C[N@@H+](CCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1)C1CCCCC1 ZINC001131815794 783300775 /nfs/dbraw/zinc/30/07/75/783300775.db2.gz UHOQARNZRMCFFK-UHFFFAOYSA-N 2 1 342.487 2.419 20 30 EEEDMP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481536 783837870 /nfs/dbraw/zinc/83/78/70/783837870.db2.gz VHZXRYAGLIFTRM-HZPDHXFCSA-N 2 1 327.513 2.040 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035201234 784042432 /nfs/dbraw/zinc/04/24/32/784042432.db2.gz SQUHDSBFHIVLGL-UHFFFAOYSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)CC2 ZINC001035227372 784115306 /nfs/dbraw/zinc/11/53/06/784115306.db2.gz PXYBTCZXYWQKLP-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CC2 ZINC001035227372 784115310 /nfs/dbraw/zinc/11/53/10/784115310.db2.gz PXYBTCZXYWQKLP-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CC2 ZINC001035227372 784115312 /nfs/dbraw/zinc/11/53/12/784115312.db2.gz PXYBTCZXYWQKLP-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035212742 784131707 /nfs/dbraw/zinc/13/17/07/784131707.db2.gz NIAKUMDSCCZLHR-GOSISDBHSA-N 2 1 331.504 2.361 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260363 784215547 /nfs/dbraw/zinc/21/55/47/784215547.db2.gz UUKWQBZIYYFLQF-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035255072 784259810 /nfs/dbraw/zinc/25/98/10/784259810.db2.gz ZPXSNKGHMUJHPR-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035255072 784259815 /nfs/dbraw/zinc/25/98/15/784259815.db2.gz ZPXSNKGHMUJHPR-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135857666 784640200 /nfs/dbraw/zinc/64/02/00/784640200.db2.gz MDMGRSHQYIDXPU-JKSUJKDBSA-N 2 1 330.476 2.273 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135977547 784927697 /nfs/dbraw/zinc/92/76/97/784927697.db2.gz VGSBEQUKPZDCEB-UONOGXRCSA-N 2 1 336.505 2.334 20 30 EEEDMP C#CCCCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823840661 787956791 /nfs/dbraw/zinc/95/67/91/787956791.db2.gz AUEGVOMWTZAHQP-UHFFFAOYSA-N 2 1 338.459 2.224 20 30 EEEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997136375 789061573 /nfs/dbraw/zinc/06/15/73/789061573.db2.gz DXBWJAXFWLESSM-VQIMIIECSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997279920 789551381 /nfs/dbraw/zinc/55/13/81/789551381.db2.gz QMRXNSYKCSUNPC-IEBWSBKVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC[C@@H]2C1 ZINC000946904960 789622893 /nfs/dbraw/zinc/62/28/93/789622893.db2.gz VITBOXQGPILKIY-ZCNNSNEGSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC[C@@H]2C1 ZINC000946904960 789622898 /nfs/dbraw/zinc/62/28/98/789622898.db2.gz VITBOXQGPILKIY-ZCNNSNEGSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091076071 789726938 /nfs/dbraw/zinc/72/69/38/789726938.db2.gz LDMYFTTWLAXDTK-ACBHZAAOSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091076071 789726942 /nfs/dbraw/zinc/72/69/42/789726942.db2.gz LDMYFTTWLAXDTK-ACBHZAAOSA-N 2 1 331.504 2.149 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146338905 791192136 /nfs/dbraw/zinc/19/21/36/791192136.db2.gz ISVYQLOJNRNOJJ-SJORKVTESA-N 2 1 338.455 2.116 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@H]12 ZINC000991882701 791256754 /nfs/dbraw/zinc/25/67/54/791256754.db2.gz IJRMACHSRPDZEQ-ICSRJNTNSA-N 2 1 342.487 2.451 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@H]12 ZINC000991882701 791256757 /nfs/dbraw/zinc/25/67/57/791256757.db2.gz IJRMACHSRPDZEQ-ICSRJNTNSA-N 2 1 342.487 2.451 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=C)Cl ZINC001171308263 791854348 /nfs/dbraw/zinc/85/43/48/791854348.db2.gz PZQRRDBHIJXRRF-CVEARBPZSA-N 2 1 325.884 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=C)Cl ZINC001171308263 791854352 /nfs/dbraw/zinc/85/43/52/791854352.db2.gz PZQRRDBHIJXRRF-CVEARBPZSA-N 2 1 325.884 2.101 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998099904 791954112 /nfs/dbraw/zinc/95/41/12/791954112.db2.gz VBYLMPKBBBBRCP-GBESFXJTSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998099904 791954116 /nfs/dbraw/zinc/95/41/16/791954116.db2.gz VBYLMPKBBBBRCP-GBESFXJTSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998099904 791954119 /nfs/dbraw/zinc/95/41/19/791954119.db2.gz VBYLMPKBBBBRCP-GBESFXJTSA-N 2 1 333.520 2.443 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171330042 792351855 /nfs/dbraw/zinc/35/18/55/792351855.db2.gz RCGCRQXTRKQCEA-ROUUACIJSA-N 2 1 339.524 2.328 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738096 792599397 /nfs/dbraw/zinc/59/93/97/792599397.db2.gz QBVNEDSHGCDPOM-LMNJBCLMSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738096 792599402 /nfs/dbraw/zinc/59/94/02/792599402.db2.gz QBVNEDSHGCDPOM-LMNJBCLMSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738096 792599408 /nfs/dbraw/zinc/59/94/08/792599408.db2.gz QBVNEDSHGCDPOM-LMNJBCLMSA-N 2 1 343.515 2.197 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091957797 793462289 /nfs/dbraw/zinc/46/22/89/793462289.db2.gz UTNYXFPMCJFKPV-QKLQHJQFSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091957797 793462294 /nfs/dbraw/zinc/46/22/94/793462294.db2.gz UTNYXFPMCJFKPV-QKLQHJQFSA-N 2 1 342.487 2.110 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992301039 793575253 /nfs/dbraw/zinc/57/52/53/793575253.db2.gz NRCUJEDDNUHPQJ-NLWGTHIKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000999390237 794402428 /nfs/dbraw/zinc/40/24/28/794402428.db2.gz FNOVETFOJOFSIV-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000999390237 794402435 /nfs/dbraw/zinc/40/24/35/794402435.db2.gz FNOVETFOJOFSIV-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000999976750 795126202 /nfs/dbraw/zinc/12/62/02/795126202.db2.gz ZTHJMJJXLGAIBX-CVEARBPZSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093384030 795127990 /nfs/dbraw/zinc/12/79/90/795127990.db2.gz SZEQBDDMSPYHCT-IBGZPJMESA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089960121 795619075 /nfs/dbraw/zinc/61/90/75/795619075.db2.gz YOKNQPCOCGRIEV-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089960121 795619078 /nfs/dbraw/zinc/61/90/78/795619078.db2.gz YOKNQPCOCGRIEV-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089960121 795619080 /nfs/dbraw/zinc/61/90/80/795619080.db2.gz YOKNQPCOCGRIEV-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001108028280 795870146 /nfs/dbraw/zinc/87/01/46/795870146.db2.gz CZTHDHBLECSRSK-IBGZPJMESA-N 2 1 342.443 2.350 20 30 EEEDMP C=CCCCN1CCO[C@@](C)(CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001108028280 795870152 /nfs/dbraw/zinc/87/01/52/795870152.db2.gz CZTHDHBLECSRSK-IBGZPJMESA-N 2 1 342.443 2.350 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080441509 796015399 /nfs/dbraw/zinc/01/53/99/796015399.db2.gz OLEIDYYJVUMXLE-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080441509 796015406 /nfs/dbraw/zinc/01/54/06/796015406.db2.gz OLEIDYYJVUMXLE-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001080441509 796015415 /nfs/dbraw/zinc/01/54/15/796015415.db2.gz OLEIDYYJVUMXLE-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001080441509 796015424 /nfs/dbraw/zinc/01/54/24/796015424.db2.gz OLEIDYYJVUMXLE-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001106672482 796085610 /nfs/dbraw/zinc/08/56/10/796085610.db2.gz YNPLFGLYRPYBHA-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172131322 796879614 /nfs/dbraw/zinc/87/96/14/796879614.db2.gz WFMMWYXXPQIGJC-AERCQKQUSA-N 2 1 346.563 2.293 20 30 EEEDMP C=CCOC1CCC([NH+]2CCC3(CCC[N@H+]3CC(=O)NC)CC2)CC1 ZINC001173325117 797361208 /nfs/dbraw/zinc/36/12/08/797361208.db2.gz YRMPECBMUPDUHR-UHFFFAOYSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCOC1CCC([NH+]2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)CC1 ZINC001173325117 797361213 /nfs/dbraw/zinc/36/12/13/797361213.db2.gz YRMPECBMUPDUHR-UHFFFAOYSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001082557024 797587922 /nfs/dbraw/zinc/58/79/22/797587922.db2.gz LXXAXNIWAVPDCP-FVQBIDKESA-N 2 1 327.900 2.153 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001082568034 797591675 /nfs/dbraw/zinc/59/16/75/797591675.db2.gz TZMVPVYWSLZBSN-RLLQIKCJSA-N 2 1 339.483 2.029 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001082568034 797591679 /nfs/dbraw/zinc/59/16/79/797591679.db2.gz TZMVPVYWSLZBSN-RLLQIKCJSA-N 2 1 339.483 2.029 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040817865 798169272 /nfs/dbraw/zinc/16/92/72/798169272.db2.gz WGCRTEMFFGRAMQ-LJQANCHMSA-N 2 1 345.531 2.446 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001177061439 798721401 /nfs/dbraw/zinc/72/14/01/798721401.db2.gz LTDKIPCKTMCROE-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001177061439 798721406 /nfs/dbraw/zinc/72/14/06/798721406.db2.gz LTDKIPCKTMCROE-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001177162232 798782905 /nfs/dbraw/zinc/78/29/05/798782905.db2.gz JTOYLVFXCZEHHN-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001177162232 798782908 /nfs/dbraw/zinc/78/29/08/798782908.db2.gz JTOYLVFXCZEHHN-RTBURBONSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001178467924 799489112 /nfs/dbraw/zinc/48/91/12/799489112.db2.gz LFADSRNHMNWQMT-GOSISDBHSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981654 799710436 /nfs/dbraw/zinc/71/04/36/799710436.db2.gz AXAVOYTZCLMOMA-VSZNYVQBSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981654 799710439 /nfs/dbraw/zinc/71/04/39/799710439.db2.gz AXAVOYTZCLMOMA-VSZNYVQBSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001003483674 799734263 /nfs/dbraw/zinc/73/42/63/799734263.db2.gz SXZOCDYAQOPCKD-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001003483674 799734268 /nfs/dbraw/zinc/73/42/68/799734268.db2.gz SXZOCDYAQOPCKD-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP C[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC001003545132 799808938 /nfs/dbraw/zinc/80/89/38/799808938.db2.gz ZPAUDNIVZOYFHH-UHFFFAOYSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](C)CC)C1 ZINC001181763715 800896648 /nfs/dbraw/zinc/89/66/48/800896648.db2.gz HYCQNJPBBPEQIW-HLNWXESRSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](C)CC)C1 ZINC001181763715 800896654 /nfs/dbraw/zinc/89/66/54/800896654.db2.gz HYCQNJPBBPEQIW-HLNWXESRSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085646403 800966265 /nfs/dbraw/zinc/96/62/65/800966265.db2.gz ALMIYXCOUIMZQE-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085646403 800966269 /nfs/dbraw/zinc/96/62/69/800966269.db2.gz ALMIYXCOUIMZQE-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085646403 800966274 /nfs/dbraw/zinc/96/62/74/800966274.db2.gz ALMIYXCOUIMZQE-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085646403 800966279 /nfs/dbraw/zinc/96/62/79/800966279.db2.gz ALMIYXCOUIMZQE-MSOLQXFVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085781867 801244757 /nfs/dbraw/zinc/24/47/57/801244757.db2.gz HHLMMHZJHRZKMQ-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781867 801244762 /nfs/dbraw/zinc/24/47/62/801244762.db2.gz HHLMMHZJHRZKMQ-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781867 801244767 /nfs/dbraw/zinc/24/47/67/801244767.db2.gz HHLMMHZJHRZKMQ-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001182614742 801279028 /nfs/dbraw/zinc/27/90/28/801279028.db2.gz PFUSKICICSUFCV-OXFYSEKESA-N 2 1 344.503 2.404 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001183773689 801730219 /nfs/dbraw/zinc/73/02/19/801730219.db2.gz SPAFVYNNNBKTNM-MRXNPFEDSA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108398683 803438290 /nfs/dbraw/zinc/43/82/90/803438290.db2.gz KEGMHZCHPKKCKI-LJQANCHMSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108398683 803438292 /nfs/dbraw/zinc/43/82/92/803438292.db2.gz KEGMHZCHPKKCKI-LJQANCHMSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363135 804495518 /nfs/dbraw/zinc/49/55/18/804495518.db2.gz GBCCMVWOLUOUIE-SFHVURJKSA-N 2 1 337.508 2.082 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001109402280 805413137 /nfs/dbraw/zinc/41/31/37/805413137.db2.gz LVSQNBBXOCZYBV-LTIDMASMSA-N 2 1 328.460 2.448 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001109402280 805413146 /nfs/dbraw/zinc/41/31/46/805413146.db2.gz LVSQNBBXOCZYBV-LTIDMASMSA-N 2 1 328.460 2.448 20 30 EEEDMP C[NH+](C)CCCC(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001437938239 1090530886 /nfs/dbraw/zinc/53/08/86/1090530886.db2.gz CWAKDFRRSQRLBH-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001438269086 1090751691 /nfs/dbraw/zinc/75/16/91/1090751691.db2.gz SVTHDNFSQSVGER-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001438269086 1090751695 /nfs/dbraw/zinc/75/16/95/1090751695.db2.gz SVTHDNFSQSVGER-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001438586062 1091072880 /nfs/dbraw/zinc/07/28/80/1091072880.db2.gz BQNXFHHAKGUEGY-INIZCTEOSA-N 2 1 346.500 2.233 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001498382562 1107426455 /nfs/dbraw/zinc/42/64/55/1107426455.db2.gz WNYJNFWLBNNQSI-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498382562 1107426458 /nfs/dbraw/zinc/42/64/58/1107426458.db2.gz WNYJNFWLBNNQSI-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498382562 1107426462 /nfs/dbraw/zinc/42/64/62/1107426462.db2.gz WNYJNFWLBNNQSI-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000537046912 318013227 /nfs/dbraw/zinc/01/32/27/318013227.db2.gz RPZJMRIVSBVTQP-GOSISDBHSA-N 2 1 330.451 2.298 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000537046912 318013229 /nfs/dbraw/zinc/01/32/29/318013229.db2.gz RPZJMRIVSBVTQP-GOSISDBHSA-N 2 1 330.451 2.298 20 30 EEEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C[C@H](C)O1 ZINC000264079288 464281084 /nfs/dbraw/zinc/28/10/84/464281084.db2.gz IDFUWOKMRASMEM-GASCZTMLSA-N 2 1 330.476 2.401 20 30 EEEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000294133286 464434545 /nfs/dbraw/zinc/43/45/45/464434545.db2.gz NWWJICJDPSSNCE-SFHVURJKSA-N 2 1 327.472 2.016 20 30 EEEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000294133286 464434549 /nfs/dbraw/zinc/43/45/49/464434549.db2.gz NWWJICJDPSSNCE-SFHVURJKSA-N 2 1 327.472 2.016 20 30 EEEDMP C=CCNC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285383419 464544034 /nfs/dbraw/zinc/54/40/34/464544034.db2.gz BOYWIDWPIWJJEO-PXNSSMCTSA-N 2 1 327.472 2.275 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000176497654 464787545 /nfs/dbraw/zinc/78/75/45/464787545.db2.gz BIXVDNBQACQUPI-UHFFFAOYSA-N 2 1 333.480 2.311 20 30 EEEDMP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000330274360 465594044 /nfs/dbraw/zinc/59/40/44/465594044.db2.gz JYSSJDYWEMLQEP-HNNXBMFYSA-N 2 1 331.464 2.062 20 30 EEEDMP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000330274360 465594050 /nfs/dbraw/zinc/59/40/50/465594050.db2.gz JYSSJDYWEMLQEP-HNNXBMFYSA-N 2 1 331.464 2.062 20 30 EEEDMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000330612257 465733001 /nfs/dbraw/zinc/73/30/01/465733001.db2.gz XAJNCYNSAIBPAU-UHFFFAOYSA-N 2 1 334.851 2.424 20 30 EEEDMP C=CC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000346335898 466086747 /nfs/dbraw/zinc/08/67/47/466086747.db2.gz ZIAXTJKSYOEXBV-HNNXBMFYSA-N 2 1 337.431 2.416 20 30 EEEDMP C=CC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000346335898 466086754 /nfs/dbraw/zinc/08/67/54/466086754.db2.gz ZIAXTJKSYOEXBV-HNNXBMFYSA-N 2 1 337.431 2.416 20 30 EEEDMP CC[C@H](CC#N)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000581675516 468497903 /nfs/dbraw/zinc/49/79/03/468497903.db2.gz VSAYNBWXDHBEFU-SJLPKXTDSA-N 2 1 342.487 2.438 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2cccc(C#N)c2)CC1 ZINC000518430170 468116053 /nfs/dbraw/zinc/11/60/53/468116053.db2.gz UBUFTQUSKBPQOR-UHFFFAOYSA-N 2 1 336.399 2.349 20 30 EEEDMP CC[N@@H+](Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1)C1CC1 ZINC000518818122 468128477 /nfs/dbraw/zinc/12/84/77/468128477.db2.gz YTWWHZSNTJGFKT-UHFFFAOYSA-N 2 1 340.471 2.389 20 30 EEEDMP CC[N@@H+](Cc1ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc1)C1CC1 ZINC000569852206 468553064 /nfs/dbraw/zinc/55/30/64/468553064.db2.gz MNSSEIUMUIEEFM-LJQANCHMSA-N 2 1 328.460 2.245 20 30 EEEDMP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000582845617 468605241 /nfs/dbraw/zinc/60/52/41/468605241.db2.gz DAWXXYVJCFNWJU-KRWDZBQOSA-N 2 1 346.438 2.213 20 30 EEEDMP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000582845617 468605246 /nfs/dbraw/zinc/60/52/46/468605246.db2.gz DAWXXYVJCFNWJU-KRWDZBQOSA-N 2 1 346.438 2.213 20 30 EEEDMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598615353 468933763 /nfs/dbraw/zinc/93/37/63/468933763.db2.gz XBOHKXVXAVHGFL-ZWKOTPCHSA-N 2 1 330.476 2.136 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114677 674585235 /nfs/dbraw/zinc/58/52/35/674585235.db2.gz KFLIUTSYECUEOB-HNNXBMFYSA-N 2 1 325.884 2.196 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114677 674585238 /nfs/dbraw/zinc/58/52/38/674585238.db2.gz KFLIUTSYECUEOB-HNNXBMFYSA-N 2 1 325.884 2.196 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCC=C)CC[C@H]32)CC1 ZINC001021738670 676396908 /nfs/dbraw/zinc/39/69/08/676396908.db2.gz CNTWMWNLNNDCCI-WOJBJXKFSA-N 2 1 343.515 2.221 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001022166097 676713336 /nfs/dbraw/zinc/71/33/36/676713336.db2.gz KNWHXCPDDLCTIB-CEXWTWQISA-N 2 1 340.471 2.169 20 30 EEEDMP N#Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)c1 ZINC001022202116 676727729 /nfs/dbraw/zinc/72/77/29/676727729.db2.gz QIUSKEOHWXSIMU-KSZLIROESA-N 2 1 349.438 2.069 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473618 676879477 /nfs/dbraw/zinc/87/94/77/676879477.db2.gz OAEGQJBTFNXCOO-GJZGRUSLSA-N 2 1 334.464 2.285 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473618 676879479 /nfs/dbraw/zinc/87/94/79/676879479.db2.gz OAEGQJBTFNXCOO-GJZGRUSLSA-N 2 1 334.464 2.285 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947497681 678310655 /nfs/dbraw/zinc/31/06/55/678310655.db2.gz LCXZICCSMQPWSY-CABCVRRESA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947497681 678310659 /nfs/dbraw/zinc/31/06/59/678310659.db2.gz LCXZICCSMQPWSY-CABCVRRESA-N 2 1 325.884 2.336 20 30 EEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N(C)Cc1cccc(F)c1 ZINC000262827556 679555890 /nfs/dbraw/zinc/55/58/90/679555890.db2.gz YRJACZDCPCMSNU-QGZVFWFLSA-N 2 1 338.496 2.270 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982834428 681356912 /nfs/dbraw/zinc/35/69/12/681356912.db2.gz ZLEJJTMSTLUWCH-NRSPTQNISA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553856 681636018 /nfs/dbraw/zinc/63/60/18/681636018.db2.gz RBCFHUOYKBYVPI-LFGUQSLTSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553856 681636020 /nfs/dbraw/zinc/63/60/20/681636020.db2.gz RBCFHUOYKBYVPI-LFGUQSLTSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553856 681636023 /nfs/dbraw/zinc/63/60/23/681636023.db2.gz RBCFHUOYKBYVPI-LFGUQSLTSA-N 2 1 333.520 2.321 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982598621 681773966 /nfs/dbraw/zinc/77/39/66/681773966.db2.gz JIGNBJAOKBAJFD-BGYRXZFFSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982598621 681773968 /nfs/dbraw/zinc/77/39/68/681773968.db2.gz JIGNBJAOKBAJFD-BGYRXZFFSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982605296 681782506 /nfs/dbraw/zinc/78/25/06/681782506.db2.gz KEVVVSXCRSKPBN-YTQUADARSA-N 2 1 328.460 2.028 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800729 682254284 /nfs/dbraw/zinc/25/42/84/682254284.db2.gz YNGBAYRBGIVJCN-IRXDYDNUSA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800729 682254288 /nfs/dbraw/zinc/25/42/88/682254288.db2.gz YNGBAYRBGIVJCN-IRXDYDNUSA-N 2 1 330.476 2.158 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025245965 682313995 /nfs/dbraw/zinc/31/39/95/682313995.db2.gz AUJSIEIPTDVVBF-RBUKOAKNSA-N 2 1 343.515 2.484 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025253981 682342908 /nfs/dbraw/zinc/34/29/08/682342908.db2.gz YSUKLSGYKQGDKA-RTBURBONSA-N 2 1 336.439 2.427 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586110 683044021 /nfs/dbraw/zinc/04/40/21/683044021.db2.gz WECKVEHDDLOKNA-MJGOQNOKSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591385 683061385 /nfs/dbraw/zinc/06/13/85/683061385.db2.gz BCAUKNSAUALRNC-PXNSSMCTSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978634617 693750253 /nfs/dbraw/zinc/75/02/53/693750253.db2.gz HEVYVYHXFUHQPJ-HAGHYFMRSA-N 2 1 343.515 2.101 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978634617 693750257 /nfs/dbraw/zinc/75/02/57/693750257.db2.gz HEVYVYHXFUHQPJ-HAGHYFMRSA-N 2 1 343.515 2.101 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978634617 693750261 /nfs/dbraw/zinc/75/02/61/693750261.db2.gz HEVYVYHXFUHQPJ-HAGHYFMRSA-N 2 1 343.515 2.101 20 30 EEEDMP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)c1 ZINC001020240000 683571984 /nfs/dbraw/zinc/57/19/84/683571984.db2.gz QIUSKEOHWXSIMU-BZSNNMDCSA-N 2 1 349.438 2.069 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974660822 685170407 /nfs/dbraw/zinc/17/04/07/685170407.db2.gz DONFEMRWVMJCKY-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000974660822 685170410 /nfs/dbraw/zinc/17/04/10/685170410.db2.gz DONFEMRWVMJCKY-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](C)CC)CC1 ZINC001029596277 686466089 /nfs/dbraw/zinc/46/60/89/686466089.db2.gz HRVZGFRFMOVUOK-QRQLOZEOSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991016226 694192326 /nfs/dbraw/zinc/19/23/26/694192326.db2.gz FPNSURIIAWVYGE-NLWGTHIKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991016226 694192331 /nfs/dbraw/zinc/19/23/31/694192331.db2.gz FPNSURIIAWVYGE-NLWGTHIKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991016226 694192336 /nfs/dbraw/zinc/19/23/36/694192336.db2.gz FPNSURIIAWVYGE-NLWGTHIKSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001089873174 1192176152 /nfs/dbraw/zinc/17/61/52/1192176152.db2.gz PCIOZYWVCQNINM-MHORFTMASA-N 2 1 342.487 2.361 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001089873174 1192176157 /nfs/dbraw/zinc/17/61/57/1192176157.db2.gz PCIOZYWVCQNINM-MHORFTMASA-N 2 1 342.487 2.361 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH+]ccc1N(C)C ZINC001089891072 1192908313 /nfs/dbraw/zinc/90/83/13/1192908313.db2.gz WOIQHQWUOFXNJD-RMRDIRSESA-N 2 1 340.471 2.116 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH+]ccc1N(C)C ZINC001089891072 1192908317 /nfs/dbraw/zinc/90/83/17/1192908317.db2.gz WOIQHQWUOFXNJD-RMRDIRSESA-N 2 1 340.471 2.116 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001421764988 1181490047 /nfs/dbraw/zinc/49/00/47/1181490047.db2.gz CYLGLDHQYCGITP-TZMCWYRMSA-N 2 1 346.313 2.111 20 30 EEEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482085308 1183313846 /nfs/dbraw/zinc/31/38/46/1183313846.db2.gz OFNRHLNKYMAIMM-CRAIPNDOSA-N 2 1 347.890 2.128 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)C)C[C@@H]2C)CC1 ZINC000945179425 1193415047 /nfs/dbraw/zinc/41/50/47/1193415047.db2.gz IVHBEEJNZSQQTR-HKUYNNGSSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C[C@H](C)O2 ZINC001098635266 1187041710 /nfs/dbraw/zinc/04/17/10/1187041710.db2.gz GAOYZLGIXWJOIU-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569219 1187406414 /nfs/dbraw/zinc/40/64/14/1187406414.db2.gz LAZZQEVNSFXGPW-LMMKCTJWSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569219 1187406417 /nfs/dbraw/zinc/40/64/17/1187406417.db2.gz LAZZQEVNSFXGPW-LMMKCTJWSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001105579247 1188194690 /nfs/dbraw/zinc/19/46/90/1188194690.db2.gz NBWBVNKWWHNHSP-GOSISDBHSA-N 2 1 333.520 2.491 20 30 EEEDMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001272887373 1193592547 /nfs/dbraw/zinc/59/25/47/1193592547.db2.gz CQZVHLGXYFLEAB-HXUWFJFHSA-N 2 1 346.519 2.337 20 30 EEEDMP CC#CCN1CC[C@H](N(CC)C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001034005744 1195649184 /nfs/dbraw/zinc/64/91/84/1195649184.db2.gz WNDANPIPCDBKDB-IBGZPJMESA-N 2 1 336.439 2.432 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034466670 1196246512 /nfs/dbraw/zinc/24/65/12/1196246512.db2.gz HVSBJKNECDNXFC-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034466670 1196246515 /nfs/dbraw/zinc/24/65/15/1196246515.db2.gz HVSBJKNECDNXFC-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001034492066 1196281617 /nfs/dbraw/zinc/28/16/17/1196281617.db2.gz LKDZBUVCDYTXBO-INIZCTEOSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537712 1196358105 /nfs/dbraw/zinc/35/81/05/1196358105.db2.gz NRYNYIKLIDSJLE-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001034537808 1196359448 /nfs/dbraw/zinc/35/94/48/1196359448.db2.gz DLKDACXMBXTANU-ROUUACIJSA-N 2 1 337.483 2.050 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406511 1199664569 /nfs/dbraw/zinc/66/45/69/1199664569.db2.gz KIRAZUWGPMIKMO-DLBZAZTESA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCC=C)C2)CC1 ZINC001132517646 1199801097 /nfs/dbraw/zinc/80/10/97/1199801097.db2.gz GFAOSCIKYVGTMP-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001275004404 1205230013 /nfs/dbraw/zinc/23/00/13/1205230013.db2.gz ZSZQJHJBCMZYGH-MAUKXSAKSA-N 2 1 345.491 2.337 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001275004404 1205230015 /nfs/dbraw/zinc/23/00/15/1205230015.db2.gz ZSZQJHJBCMZYGH-MAUKXSAKSA-N 2 1 345.491 2.337 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001095556561 1205873317 /nfs/dbraw/zinc/87/33/17/1205873317.db2.gz ZEYWGVRZYKTCGB-XWSJACJDSA-N 2 1 343.515 2.242 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1C[NH2+]C(C)C ZINC000958792059 1213830640 /nfs/dbraw/zinc/83/06/40/1213830640.db2.gz YUDLGBQUXMFBCR-PMACEKPBSA-N 2 1 339.483 2.208 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1C[NH2+]C(C)C ZINC000958792059 1213830653 /nfs/dbraw/zinc/83/06/53/1213830653.db2.gz YUDLGBQUXMFBCR-PMACEKPBSA-N 2 1 339.483 2.208 20 30 EEEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C1 ZINC000303869971 1213916185 /nfs/dbraw/zinc/91/61/85/1213916185.db2.gz BDCSWHGVEFHNBE-CALCHBBNSA-N 2 1 344.503 2.311 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000303894943 1213922662 /nfs/dbraw/zinc/92/26/62/1213922662.db2.gz PFXZHSNLJVNJHD-IBGZPJMESA-N 2 1 345.535 2.316 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000303894943 1213922671 /nfs/dbraw/zinc/92/26/71/1213922671.db2.gz PFXZHSNLJVNJHD-IBGZPJMESA-N 2 1 345.535 2.316 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000303894943 1213922678 /nfs/dbraw/zinc/92/26/78/1213922678.db2.gz PFXZHSNLJVNJHD-IBGZPJMESA-N 2 1 345.535 2.316 20 30 EEEDMP CN1CC[N@@H+](CCCNC(=[NH2+])N2CCCCC2)[C@H](c2ccccc2)C1 ZINC000303908880 1213923897 /nfs/dbraw/zinc/92/38/97/1213923897.db2.gz XWSAYINWEAJFPC-IBGZPJMESA-N 2 1 343.519 2.166 20 30 EEEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])N2CCCCC2)[C@H](c2ccccc2)C1 ZINC000303908880 1213923905 /nfs/dbraw/zinc/92/39/05/1213923905.db2.gz XWSAYINWEAJFPC-IBGZPJMESA-N 2 1 343.519 2.166 20 30 EEEDMP C[N@H+]1CCN(CCCNC(=[NH2+])N2CCCCC2)[C@H](c2ccccc2)C1 ZINC000303908880 1213923911 /nfs/dbraw/zinc/92/39/11/1213923911.db2.gz XWSAYINWEAJFPC-IBGZPJMESA-N 2 1 343.519 2.166 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957605427 1215249985 /nfs/dbraw/zinc/24/99/85/1215249985.db2.gz BHOGEIKISYLTQO-UHFFFAOYSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961289578 1217130373 /nfs/dbraw/zinc/13/03/73/1217130373.db2.gz BWENKXABGRAQPC-OALUTQOASA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961439171 1217190675 /nfs/dbraw/zinc/19/06/75/1217190675.db2.gz FTYRAUCKKCASHJ-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961439171 1217190679 /nfs/dbraw/zinc/19/06/79/1217190679.db2.gz FTYRAUCKKCASHJ-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961439171 1217190682 /nfs/dbraw/zinc/19/06/82/1217190682.db2.gz FTYRAUCKKCASHJ-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327544 1217522792 /nfs/dbraw/zinc/52/27/92/1217522792.db2.gz DFCRTPXAZWONBE-MJGOQNOKSA-N 2 1 336.439 2.284 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963413247 1217609237 /nfs/dbraw/zinc/60/92/37/1217609237.db2.gz CTLAKAJMIBWIOE-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963413247 1217609240 /nfs/dbraw/zinc/60/92/40/1217609240.db2.gz CTLAKAJMIBWIOE-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425186 1220501437 /nfs/dbraw/zinc/50/14/37/1220501437.db2.gz YHFVYEONOCINAK-YLJYHZDGSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037936423 1220537301 /nfs/dbraw/zinc/53/73/01/1220537301.db2.gz SHYLFPVLAMAXTP-DLBZAZTESA-N 2 1 330.476 2.247 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001016818369 1226901475 /nfs/dbraw/zinc/90/14/75/1226901475.db2.gz CRPZQTGHWFGCTN-FUHWJXTLSA-N 2 1 342.487 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001017948737 1227909504 /nfs/dbraw/zinc/90/95/04/1227909504.db2.gz GWCZYCUCDNAJRT-OKZBNKHCSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001017948737 1227909515 /nfs/dbraw/zinc/90/95/15/1227909515.db2.gz GWCZYCUCDNAJRT-OKZBNKHCSA-N 2 1 342.487 2.395 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018989975 1228610924 /nfs/dbraw/zinc/61/09/24/1228610924.db2.gz AXVRMGCLISVYFL-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001039251244 1230487677 /nfs/dbraw/zinc/48/76/77/1230487677.db2.gz QYBFMEYBQJGAKO-MOPGFXCFSA-N 2 1 349.494 2.004 20 30 EEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040206985 1231103267 /nfs/dbraw/zinc/10/32/67/1231103267.db2.gz CCNBRGUZMRQOHS-ICSRJNTNSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329183 1231172403 /nfs/dbraw/zinc/17/24/03/1231172403.db2.gz SADBDWTYJWBXNP-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040349181 1231181679 /nfs/dbraw/zinc/18/16/79/1231181679.db2.gz WMUDSZGWWBRRHU-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349181 1231181680 /nfs/dbraw/zinc/18/16/80/1231181680.db2.gz WMUDSZGWWBRRHU-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349181 1231181684 /nfs/dbraw/zinc/18/16/84/1231181684.db2.gz WMUDSZGWWBRRHU-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)C2)C1 ZINC001040387780 1231200379 /nfs/dbraw/zinc/20/03/79/1231200379.db2.gz JOZLJJAHSBGKLJ-DNVCBOLYSA-N 2 1 328.460 2.330 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041286318 1231495146 /nfs/dbraw/zinc/49/51/46/1231495146.db2.gz JQRSWMVMIWCVRJ-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432793 1231544507 /nfs/dbraw/zinc/54/45/07/1231544507.db2.gz SRAJXUGOTARQJL-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432793 1231544509 /nfs/dbraw/zinc/54/45/09/1231544509.db2.gz SRAJXUGOTARQJL-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041432793 1231544511 /nfs/dbraw/zinc/54/45/11/1231544511.db2.gz SRAJXUGOTARQJL-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042260850 1231988521 /nfs/dbraw/zinc/98/85/21/1231988521.db2.gz XWQRWXSCDRQUHO-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042260850 1231988522 /nfs/dbraw/zinc/98/85/22/1231988522.db2.gz XWQRWXSCDRQUHO-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096019818 1233678545 /nfs/dbraw/zinc/67/85/45/1233678545.db2.gz YGPKMTVIJQLAQZ-LMSBXDPUSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096019818 1233678547 /nfs/dbraw/zinc/67/85/47/1233678547.db2.gz YGPKMTVIJQLAQZ-LMSBXDPUSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CC[NH+]1CCC(C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001045556405 1233814940 /nfs/dbraw/zinc/81/49/40/1233814940.db2.gz GGOLOJXHUOFCHD-UHFFFAOYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045663318 1233892856 /nfs/dbraw/zinc/89/28/56/1233892856.db2.gz LTXIATJAHDJEMY-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046990442 1235401264 /nfs/dbraw/zinc/40/12/64/1235401264.db2.gz QVYLYQDIUKJTDR-OAHLLOKOSA-N 2 1 341.446 2.122 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107313 1240019348 /nfs/dbraw/zinc/01/93/48/1240019348.db2.gz DOSQDFKHYFFITG-YVSFHVDLSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107313 1240019354 /nfs/dbraw/zinc/01/93/54/1240019354.db2.gz DOSQDFKHYFFITG-YVSFHVDLSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107313 1240019357 /nfs/dbraw/zinc/01/93/57/1240019357.db2.gz DOSQDFKHYFFITG-YVSFHVDLSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC001000862542 1241073451 /nfs/dbraw/zinc/07/34/51/1241073451.db2.gz PKRDKWWBZPLRIK-QGZVFWFLSA-N 2 1 328.460 2.160 20 30 EEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001146185 1241724971 /nfs/dbraw/zinc/72/49/71/1241724971.db2.gz XLPCNLAAFWETBO-SFHVURJKSA-N 2 1 342.487 2.468 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001146185 1241724978 /nfs/dbraw/zinc/72/49/78/1241724978.db2.gz XLPCNLAAFWETBO-SFHVURJKSA-N 2 1 342.487 2.468 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049767758 1242133919 /nfs/dbraw/zinc/13/39/19/1242133919.db2.gz RAQDQLIZOVFBBN-IPMKNSEASA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049767758 1242133932 /nfs/dbraw/zinc/13/39/32/1242133932.db2.gz RAQDQLIZOVFBBN-IPMKNSEASA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049767758 1242133937 /nfs/dbraw/zinc/13/39/37/1242133937.db2.gz RAQDQLIZOVFBBN-IPMKNSEASA-N 2 1 331.504 2.338 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049826893 1242326867 /nfs/dbraw/zinc/32/68/67/1242326867.db2.gz IYSGDYGIUVKUIQ-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001001467893 1242328389 /nfs/dbraw/zinc/32/83/89/1242328389.db2.gz OGCQFKYUSVWADA-UHFFFAOYSA-N 2 1 325.456 2.133 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC=C(C)C)CC1 ZINC001049909346 1242656883 /nfs/dbraw/zinc/65/68/83/1242656883.db2.gz ADXJDIKONQSRJC-VQTJNVASSA-N 2 1 343.515 2.363 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073899215 1242761417 /nfs/dbraw/zinc/76/14/17/1242761417.db2.gz NVRNVGYLGMUYJJ-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899215 1242761423 /nfs/dbraw/zinc/76/14/23/1242761423.db2.gz NVRNVGYLGMUYJJ-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899215 1242761430 /nfs/dbraw/zinc/76/14/30/1242761430.db2.gz NVRNVGYLGMUYJJ-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001073899589 1242763129 /nfs/dbraw/zinc/76/31/29/1242763129.db2.gz XYAXLPAGYONGHS-SFHVURJKSA-N 2 1 345.487 2.145 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001050577501 1243876380 /nfs/dbraw/zinc/87/63/80/1243876380.db2.gz STEUQEKRKFATKS-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097695012 1244514198 /nfs/dbraw/zinc/51/41/98/1244514198.db2.gz NPNPGNRRLDAMHI-YRXWBPOGSA-N 2 1 329.488 2.138 20 30 EEEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097695012 1244514211 /nfs/dbraw/zinc/51/42/11/1244514211.db2.gz NPNPGNRRLDAMHI-YRXWBPOGSA-N 2 1 329.488 2.138 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097695012 1244514222 /nfs/dbraw/zinc/51/42/22/1244514222.db2.gz NPNPGNRRLDAMHI-YRXWBPOGSA-N 2 1 329.488 2.138 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097695012 1244514232 /nfs/dbraw/zinc/51/42/32/1244514232.db2.gz NPNPGNRRLDAMHI-YRXWBPOGSA-N 2 1 329.488 2.138 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001097854039 1244689923 /nfs/dbraw/zinc/68/99/23/1244689923.db2.gz SWLKYKBHJJYLKH-OAFZBRQQSA-N 2 1 337.483 2.497 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097854039 1244689934 /nfs/dbraw/zinc/68/99/34/1244689934.db2.gz SWLKYKBHJJYLKH-OAFZBRQQSA-N 2 1 337.483 2.497 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097854039 1244689943 /nfs/dbraw/zinc/68/99/43/1244689943.db2.gz SWLKYKBHJJYLKH-OAFZBRQQSA-N 2 1 337.483 2.497 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312787 1245646158 /nfs/dbraw/zinc/64/61/58/1245646158.db2.gz LNRWVDAYYQCUOY-NQIIRXRSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312787 1245646162 /nfs/dbraw/zinc/64/61/62/1245646162.db2.gz LNRWVDAYYQCUOY-NQIIRXRSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312787 1245646168 /nfs/dbraw/zinc/64/61/68/1245646168.db2.gz LNRWVDAYYQCUOY-NQIIRXRSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053039273 1245742036 /nfs/dbraw/zinc/74/20/36/1245742036.db2.gz DLQQLCIYHYZNOY-PMACEKPBSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101440796 1245830298 /nfs/dbraw/zinc/83/02/98/1245830298.db2.gz UUCDAWWMVCOMQW-WBVHZDCISA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101440796 1245830309 /nfs/dbraw/zinc/83/03/09/1245830309.db2.gz UUCDAWWMVCOMQW-WBVHZDCISA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101440796 1245830315 /nfs/dbraw/zinc/83/03/15/1245830315.db2.gz UUCDAWWMVCOMQW-WBVHZDCISA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101440796 1245830323 /nfs/dbraw/zinc/83/03/23/1245830323.db2.gz UUCDAWWMVCOMQW-WBVHZDCISA-N 2 1 327.900 2.251 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001101541840 1245944301 /nfs/dbraw/zinc/94/43/01/1245944301.db2.gz XHEAWURRJBRUKH-IEBWSBKVSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)CO2 ZINC001053946245 1247051431 /nfs/dbraw/zinc/05/14/31/1247051431.db2.gz QTMVFVKDKCULDT-ROUUACIJSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CO2 ZINC001053946245 1247051442 /nfs/dbraw/zinc/05/14/42/1247051442.db2.gz QTMVFVKDKCULDT-ROUUACIJSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042101 1247204558 /nfs/dbraw/zinc/20/45/58/1247204558.db2.gz OFWMDLNALIXQRY-LSTHTHJFSA-N 2 1 341.499 2.446 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042101 1247204565 /nfs/dbraw/zinc/20/45/65/1247204565.db2.gz OFWMDLNALIXQRY-LSTHTHJFSA-N 2 1 341.499 2.446 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042101 1247204573 /nfs/dbraw/zinc/20/45/73/1247204573.db2.gz OFWMDLNALIXQRY-LSTHTHJFSA-N 2 1 341.499 2.446 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001052457186 1247331079 /nfs/dbraw/zinc/33/10/79/1247331079.db2.gz PTNDBZGGYSBTTR-GJZGRUSLSA-N 2 1 345.409 2.007 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC001052457186 1247331089 /nfs/dbraw/zinc/33/10/89/1247331089.db2.gz PTNDBZGGYSBTTR-GJZGRUSLSA-N 2 1 345.409 2.007 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(F)(F)F)CC1 ZINC001052457186 1247331099 /nfs/dbraw/zinc/33/10/99/1247331099.db2.gz PTNDBZGGYSBTTR-GJZGRUSLSA-N 2 1 345.409 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(F)(F)F)CC1 ZINC001052457186 1247331112 /nfs/dbraw/zinc/33/11/12/1247331112.db2.gz PTNDBZGGYSBTTR-GJZGRUSLSA-N 2 1 345.409 2.007 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129430 1247472365 /nfs/dbraw/zinc/47/23/65/1247472365.db2.gz QSJHNYWYCLVMGL-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129430 1247472370 /nfs/dbraw/zinc/47/23/70/1247472370.db2.gz QSJHNYWYCLVMGL-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129430 1247472376 /nfs/dbraw/zinc/47/23/76/1247472376.db2.gz QSJHNYWYCLVMGL-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145844 1247519282 /nfs/dbraw/zinc/51/92/82/1247519282.db2.gz YTIBVWJCESZKGA-FXAWDEMLSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145844 1247519289 /nfs/dbraw/zinc/51/92/89/1247519289.db2.gz YTIBVWJCESZKGA-FXAWDEMLSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCCC)C2)C1 ZINC001054147372 1247522864 /nfs/dbraw/zinc/52/28/64/1247522864.db2.gz POZMUORWPUKGGK-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCC)C2)C1 ZINC001054147372 1247522866 /nfs/dbraw/zinc/52/28/66/1247522866.db2.gz POZMUORWPUKGGK-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCCC)C2)C1 ZINC001054147372 1247522870 /nfs/dbraw/zinc/52/28/70/1247522870.db2.gz POZMUORWPUKGGK-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCCC)C2)C1 ZINC001054147372 1247522873 /nfs/dbraw/zinc/52/28/73/1247522873.db2.gz POZMUORWPUKGGK-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](C/C=C\Cl)C2)C1 ZINC001054147557 1247523369 /nfs/dbraw/zinc/52/33/69/1247523369.db2.gz UKECLBDSAGFRNG-MJAXPIHCSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](C/C=C\Cl)C2)C1 ZINC001054147557 1247523378 /nfs/dbraw/zinc/52/33/78/1247523378.db2.gz UKECLBDSAGFRNG-MJAXPIHCSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](C/C=C\Cl)C2)C1 ZINC001054147557 1247523385 /nfs/dbraw/zinc/52/33/85/1247523385.db2.gz UKECLBDSAGFRNG-MJAXPIHCSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](C/C=C\Cl)C2)C1 ZINC001054147557 1247523394 /nfs/dbraw/zinc/52/33/94/1247523394.db2.gz UKECLBDSAGFRNG-MJAXPIHCSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001054147750 1247526407 /nfs/dbraw/zinc/52/64/07/1247526407.db2.gz XFCLKFAFUIVTOU-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001054147750 1247526416 /nfs/dbraw/zinc/52/64/16/1247526416.db2.gz XFCLKFAFUIVTOU-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054147750 1247526421 /nfs/dbraw/zinc/52/64/21/1247526421.db2.gz XFCLKFAFUIVTOU-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054147750 1247526427 /nfs/dbraw/zinc/52/64/27/1247526427.db2.gz XFCLKFAFUIVTOU-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052650980 1247774206 /nfs/dbraw/zinc/77/42/06/1247774206.db2.gz BZTAAMGFWWUTTI-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052650980 1247774211 /nfs/dbraw/zinc/77/42/11/1247774211.db2.gz BZTAAMGFWWUTTI-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052650980 1247774223 /nfs/dbraw/zinc/77/42/23/1247774223.db2.gz BZTAAMGFWWUTTI-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662837 1247813308 /nfs/dbraw/zinc/81/33/08/1247813308.db2.gz KQCJWUVHBUDUNL-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662837 1247813323 /nfs/dbraw/zinc/81/33/23/1247813323.db2.gz KQCJWUVHBUDUNL-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099522962 1258190503 /nfs/dbraw/zinc/19/05/03/1258190503.db2.gz XSNIHNWXXCWDFZ-RDGPPVDQSA-N 2 1 345.531 2.463 20 30 EEEDMP C#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCCCCC ZINC001099536242 1258194339 /nfs/dbraw/zinc/19/43/39/1258194339.db2.gz KHGZNZVPABBIQN-YRPNKDGESA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCCCCC ZINC001099536242 1258194342 /nfs/dbraw/zinc/19/43/42/1258194342.db2.gz KHGZNZVPABBIQN-YRPNKDGESA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCCCCC ZINC001099536242 1258194344 /nfs/dbraw/zinc/19/43/44/1258194344.db2.gz KHGZNZVPABBIQN-YRPNKDGESA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185788833 1278783047 /nfs/dbraw/zinc/78/30/47/1278783047.db2.gz QHFMSANIXRKFKD-QUCCMNQESA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185788833 1278783055 /nfs/dbraw/zinc/78/30/55/1278783055.db2.gz QHFMSANIXRKFKD-QUCCMNQESA-N 2 1 341.499 2.216 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001187298892 1279498131 /nfs/dbraw/zinc/49/81/31/1279498131.db2.gz PQIYHHIIJBYFPH-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405137 1279883199 /nfs/dbraw/zinc/88/31/99/1279883199.db2.gz ARIWQNDHLSVLRK-PKOBYXMFSA-N 2 1 342.487 2.407 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001191020419 1281180238 /nfs/dbraw/zinc/18/02/38/1281180238.db2.gz XHEJWVPVQZQIIF-AWEZNQCLSA-N 2 1 348.516 2.383 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001191020419 1281180240 /nfs/dbraw/zinc/18/02/40/1281180240.db2.gz XHEJWVPVQZQIIF-AWEZNQCLSA-N 2 1 348.516 2.383 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001191020419 1281180246 /nfs/dbraw/zinc/18/02/46/1281180246.db2.gz XHEJWVPVQZQIIF-AWEZNQCLSA-N 2 1 348.516 2.383 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001193600893 1282628834 /nfs/dbraw/zinc/62/88/34/1282628834.db2.gz OGSMTDUJLBBOFT-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001193600893 1282628855 /nfs/dbraw/zinc/62/88/55/1282628855.db2.gz OGSMTDUJLBBOFT-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001193600893 1282628872 /nfs/dbraw/zinc/62/88/72/1282628872.db2.gz OGSMTDUJLBBOFT-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCCCCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268036 1283967647 /nfs/dbraw/zinc/96/76/47/1283967647.db2.gz AJCNOZNSKRRWPM-QZTJIDSGSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268036 1283967655 /nfs/dbraw/zinc/96/76/55/1283967655.db2.gz AJCNOZNSKRRWPM-QZTJIDSGSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268036 1283967658 /nfs/dbraw/zinc/96/76/58/1283967658.db2.gz AJCNOZNSKRRWPM-QZTJIDSGSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268036 1283967665 /nfs/dbraw/zinc/96/76/65/1283967665.db2.gz AJCNOZNSKRRWPM-QZTJIDSGSA-N 2 1 339.524 2.210 20 30 EEEDMP CN(CCC#N)c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000105477094 1286416007 /nfs/dbraw/zinc/41/60/07/1286416007.db2.gz NKJTZNDICSSGCF-UHFFFAOYSA-N 2 1 343.519 2.154 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110660978 1292283521 /nfs/dbraw/zinc/28/35/21/1292283521.db2.gz KPXLMMWDKXDYPI-MKXGPGLRSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110660978 1292283526 /nfs/dbraw/zinc/28/35/26/1292283526.db2.gz KPXLMMWDKXDYPI-MKXGPGLRSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110660978 1292283529 /nfs/dbraw/zinc/28/35/29/1292283529.db2.gz KPXLMMWDKXDYPI-MKXGPGLRSA-N 2 1 349.519 2.173 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001211191578 1295738085 /nfs/dbraw/zinc/73/80/85/1295738085.db2.gz LPGHYTMZNUFZSI-KURKYZTESA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001211191578 1295738090 /nfs/dbraw/zinc/73/80/90/1295738090.db2.gz LPGHYTMZNUFZSI-KURKYZTESA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211191578 1295738098 /nfs/dbraw/zinc/73/80/98/1295738098.db2.gz LPGHYTMZNUFZSI-KURKYZTESA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211191578 1295738103 /nfs/dbraw/zinc/73/81/03/1295738103.db2.gz LPGHYTMZNUFZSI-KURKYZTESA-N 2 1 339.524 2.114 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001211268287 1295789204 /nfs/dbraw/zinc/78/92/04/1295789204.db2.gz HSGCEUUTKIYXLH-KRWDZBQOSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001072738546 1296085533 /nfs/dbraw/zinc/08/55/33/1296085533.db2.gz YZWIWYKDEFZTHD-GOSISDBHSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738546 1296085547 /nfs/dbraw/zinc/08/55/47/1296085547.db2.gz YZWIWYKDEFZTHD-GOSISDBHSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738546 1296085559 /nfs/dbraw/zinc/08/55/59/1296085559.db2.gz YZWIWYKDEFZTHD-GOSISDBHSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)(C)C1)C2 ZINC001072822489 1296183833 /nfs/dbraw/zinc/18/38/33/1296183833.db2.gz JIWBZACVLNCPIU-SFHVURJKSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC1CC(C)(C)C1)C2 ZINC001072822489 1296183837 /nfs/dbraw/zinc/18/38/37/1296183837.db2.gz JIWBZACVLNCPIU-SFHVURJKSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CC(C)(C)C1)C2 ZINC001072822489 1296183841 /nfs/dbraw/zinc/18/38/41/1296183841.db2.gz JIWBZACVLNCPIU-SFHVURJKSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CC(C)(C)C1)C2 ZINC001072822489 1296183846 /nfs/dbraw/zinc/18/38/46/1296183846.db2.gz JIWBZACVLNCPIU-SFHVURJKSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001098843551 1298715440 /nfs/dbraw/zinc/71/54/40/1298715440.db2.gz FEQDMZVLMXLUTF-DLTWYDFYSA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001098843551 1298715448 /nfs/dbraw/zinc/71/54/48/1298715448.db2.gz FEQDMZVLMXLUTF-DLTWYDFYSA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001098843551 1298715457 /nfs/dbraw/zinc/71/54/57/1298715457.db2.gz FEQDMZVLMXLUTF-DLTWYDFYSA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001098843551 1298715461 /nfs/dbraw/zinc/71/54/61/1298715461.db2.gz FEQDMZVLMXLUTF-DLTWYDFYSA-N 2 1 325.884 2.050 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001099079051 1298861475 /nfs/dbraw/zinc/86/14/75/1298861475.db2.gz KHLRCJPWBOCGKG-FPOVZHCZSA-N 2 1 339.483 2.356 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224169141 1300464474 /nfs/dbraw/zinc/46/44/74/1300464474.db2.gz GTUDSQWJGJIDEY-MOPGFXCFSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001224796911 1300741500 /nfs/dbraw/zinc/74/15/00/1300741500.db2.gz UYLNZWCACAFEBI-RBUKOAKNSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001227792152 1301966925 /nfs/dbraw/zinc/96/69/25/1301966925.db2.gz LGTNXJQXKCRWSA-LJQANCHMSA-N 2 1 349.519 2.177 20 30 EEEDMP C[NH+](C)CCC(=O)NC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC001228991613 1302558973 /nfs/dbraw/zinc/55/89/73/1302558973.db2.gz IBHIJLCAAZCDNK-UHFFFAOYSA-N 2 1 347.890 2.224 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001229135499 1302636429 /nfs/dbraw/zinc/63/64/29/1302636429.db2.gz OCOYSUKTSUOEOK-QZTJIDSGSA-N 2 1 337.508 2.082 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230716150 1303411415 /nfs/dbraw/zinc/41/14/15/1303411415.db2.gz BMCJMQBKHSRJCY-SFHVURJKSA-N 2 1 330.476 2.060 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230716150 1303411416 /nfs/dbraw/zinc/41/14/16/1303411416.db2.gz BMCJMQBKHSRJCY-SFHVURJKSA-N 2 1 330.476 2.060 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230716150 1303411418 /nfs/dbraw/zinc/41/14/18/1303411418.db2.gz BMCJMQBKHSRJCY-SFHVURJKSA-N 2 1 330.476 2.060 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)CCc1ncc[nH]1)Cc1cccnc1 ZINC001230745859 1303429628 /nfs/dbraw/zinc/42/96/28/1303429628.db2.gz OEWHLZDNPHMFND-UHFFFAOYSA-N 2 1 341.459 2.322 20 30 EEEDMP C=CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC)Cc1cccnc1 ZINC001230771667 1303446141 /nfs/dbraw/zinc/44/61/41/1303446141.db2.gz OUCJQMYXSVMQQC-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1CCC)Cc1cccnc1 ZINC001230771667 1303446144 /nfs/dbraw/zinc/44/61/44/1303446144.db2.gz OUCJQMYXSVMQQC-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1CCC)Cc1cccnc1 ZINC001230771667 1303446145 /nfs/dbraw/zinc/44/61/45/1303446145.db2.gz OUCJQMYXSVMQQC-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)C[NH+](C)CCC)Cc1cccnc1 ZINC001230906178 1303538742 /nfs/dbraw/zinc/53/87/42/1303538742.db2.gz OTYNEDPQHVWFLL-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111796113 1303900004 /nfs/dbraw/zinc/90/00/04/1303900004.db2.gz UWCPUCWBERVGIH-PXNSSMCTSA-N 2 1 342.487 2.455 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)C)C1 ZINC001112404295 1304525710 /nfs/dbraw/zinc/52/57/10/1304525710.db2.gz SPWCWZCQADJNEF-ZJOUEHCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)C)C1 ZINC001112404295 1304525712 /nfs/dbraw/zinc/52/57/12/1304525712.db2.gz SPWCWZCQADJNEF-ZJOUEHCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001234415364 1304914959 /nfs/dbraw/zinc/91/49/59/1304914959.db2.gz SKENKDBWDSRCPT-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001234415364 1304914967 /nfs/dbraw/zinc/91/49/67/1304914967.db2.gz SKENKDBWDSRCPT-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001234415364 1304914969 /nfs/dbraw/zinc/91/49/69/1304914969.db2.gz SKENKDBWDSRCPT-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001234415364 1304914972 /nfs/dbraw/zinc/91/49/72/1304914972.db2.gz SKENKDBWDSRCPT-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546492 1305318468 /nfs/dbraw/zinc/31/84/68/1305318468.db2.gz PSSOTESRHRLVGJ-MSOLQXFVSA-N 2 1 349.519 2.225 20 30 EEEDMP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001245981793 1310200414 /nfs/dbraw/zinc/20/04/14/1310200414.db2.gz MLNPWWDCRNYVKG-ULQDDVLXSA-N 2 1 328.497 2.229 20 30 EEEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231401 1310243998 /nfs/dbraw/zinc/24/39/98/1310243998.db2.gz JWIRXKWEBAWTHI-RUEDAHMLSA-N 2 1 349.519 2.079 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001150185374 1316194859 /nfs/dbraw/zinc/19/48/59/1316194859.db2.gz DIYAPFRTQGCREL-KRWDZBQOSA-N 2 1 349.475 2.128 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898822 1317374907 /nfs/dbraw/zinc/37/49/07/1317374907.db2.gz UJQVDOVWLPRQIH-CQSZACIVSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999753 1317414650 /nfs/dbraw/zinc/41/46/50/1317414650.db2.gz MTLBSMNMNBNMBF-MRXNPFEDSA-N 2 1 349.906 2.470 20 30 EEEDMP N#Cc1c[nH]c2cc[nH+]c(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)c12 ZINC001155382265 1317574042 /nfs/dbraw/zinc/57/40/42/1317574042.db2.gz GLBKZICEGTYTGP-CQSZACIVSA-N 2 1 325.416 2.395 20 30 EEEDMP C=C[C@@](C)(O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001252550860 1317632823 /nfs/dbraw/zinc/63/28/23/1317632823.db2.gz PBOANYDBTHCCLP-LJQANCHMSA-N 2 1 330.472 2.290 20 30 EEEDMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662002 1318158792 /nfs/dbraw/zinc/15/87/92/1318158792.db2.gz ATOZJHVDKALEEQ-GFEQUFNTSA-N 2 1 342.491 2.144 20 30 EEEDMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662002 1318158794 /nfs/dbraw/zinc/15/87/94/1318158794.db2.gz ATOZJHVDKALEEQ-GFEQUFNTSA-N 2 1 342.491 2.144 20 30 EEEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662002 1318158801 /nfs/dbraw/zinc/15/88/01/1318158801.db2.gz ATOZJHVDKALEEQ-GFEQUFNTSA-N 2 1 342.491 2.144 20 30 EEEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662002 1318158804 /nfs/dbraw/zinc/15/88/04/1318158804.db2.gz ATOZJHVDKALEEQ-GFEQUFNTSA-N 2 1 342.491 2.144 20 30 EEEDMP CC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114167 1318418249 /nfs/dbraw/zinc/41/82/49/1318418249.db2.gz RNAKGOFHOFBDPA-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114167 1318418256 /nfs/dbraw/zinc/41/82/56/1318418256.db2.gz RNAKGOFHOFBDPA-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157114167 1318418265 /nfs/dbraw/zinc/41/82/65/1318418265.db2.gz RNAKGOFHOFBDPA-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157114167 1318418273 /nfs/dbraw/zinc/41/82/73/1318418273.db2.gz RNAKGOFHOFBDPA-OAHLLOKOSA-N 2 1 348.466 2.364 20 30 EEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001158029593 1318975924 /nfs/dbraw/zinc/97/59/24/1318975924.db2.gz KKEWRZWAINGSRD-IAGOWNOFSA-N 2 1 325.472 2.003 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001161251720 1320434781 /nfs/dbraw/zinc/43/47/81/1320434781.db2.gz WLEILBYCGIYUSS-UHFFFAOYSA-N 2 1 334.439 2.024 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161649618 1320570252 /nfs/dbraw/zinc/57/02/52/1320570252.db2.gz PCPHSUPMILMHNJ-CQSZACIVSA-N 2 1 346.313 2.111 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)(COC)CC1 ZINC001162533785 1320888846 /nfs/dbraw/zinc/88/88/46/1320888846.db2.gz STYVTTHTXQWRLM-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208048267 1324287704 /nfs/dbraw/zinc/28/77/04/1324287704.db2.gz FSFOZECIIVQNMM-ROUUACIJSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001208090867 1324311108 /nfs/dbraw/zinc/31/11/08/1324311108.db2.gz YGKKHQNCJPOFHW-MAUKXSAKSA-N 2 1 345.491 2.337 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001208090867 1324311113 /nfs/dbraw/zinc/31/11/13/1324311113.db2.gz YGKKHQNCJPOFHW-MAUKXSAKSA-N 2 1 345.491 2.337 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208356478 1324448465 /nfs/dbraw/zinc/44/84/65/1324448465.db2.gz RVYXORXYBBDCRN-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208356478 1324448471 /nfs/dbraw/zinc/44/84/71/1324448471.db2.gz RVYXORXYBBDCRN-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210214367 1325202829 /nfs/dbraw/zinc/20/28/29/1325202829.db2.gz XYYBCQZSUQTROL-POAQFYNOSA-N 2 1 329.488 2.476 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210214367 1325202837 /nfs/dbraw/zinc/20/28/37/1325202837.db2.gz XYYBCQZSUQTROL-POAQFYNOSA-N 2 1 329.488 2.476 20 30 EEEDMP C=CCOCC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001100345919 1338288514 /nfs/dbraw/zinc/28/85/14/1338288514.db2.gz GOLIGHBORDTIJG-KLAILNCOSA-N 2 1 348.491 2.084 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135029870 1367997191 /nfs/dbraw/zinc/99/71/91/1367997191.db2.gz UCQXTCVZDWBZQR-LSDHHAIUSA-N 2 1 339.443 2.136 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135029859 1367997529 /nfs/dbraw/zinc/99/75/29/1367997529.db2.gz TUGWNSUNSYWVSN-CABCVRRESA-N 2 1 339.443 2.136 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929518883 1369877577 /nfs/dbraw/zinc/87/75/77/1369877577.db2.gz RQPOFJUVFYHZFS-UHFFFAOYSA-N 2 1 334.508 2.337 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001366896098 1374053559 /nfs/dbraw/zinc/05/35/59/1374053559.db2.gz AROSAVPIXRXPAX-RTBURBONSA-N 2 1 342.487 2.225 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001366896098 1374053560 /nfs/dbraw/zinc/05/35/60/1374053560.db2.gz AROSAVPIXRXPAX-RTBURBONSA-N 2 1 342.487 2.225 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(F)c(C#N)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001375055888 1377323286 /nfs/dbraw/zinc/32/32/86/1377323286.db2.gz PCCLYPIPRKLPJH-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001393522352 1390457580 /nfs/dbraw/zinc/45/75/80/1390457580.db2.gz DYOPVHWNCWJGPH-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCCC[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001394208145 1390649236 /nfs/dbraw/zinc/64/92/36/1390649236.db2.gz TXDDZCDVGFUKGN-WMLDXEAASA-N 2 1 348.516 2.479 20 30 EEEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001754469734 1406914327 /nfs/dbraw/zinc/91/43/27/1406914327.db2.gz YDDZMGOMPRRZRY-UXHICEINSA-N 2 1 341.499 2.358 20 30 EEEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1CC ZINC001754469734 1406914328 /nfs/dbraw/zinc/91/43/28/1406914328.db2.gz YDDZMGOMPRRZRY-UXHICEINSA-N 2 1 341.499 2.358 20 30 EEEDMP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001402977746 1398301559 /nfs/dbraw/zinc/30/15/59/1398301559.db2.gz VLTXGSVGVJOJCL-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC(C)C)CC1 ZINC001755025173 1407047536 /nfs/dbraw/zinc/04/75/36/1407047536.db2.gz PSTXMUVRAGBHCP-OALUTQOASA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC(C)C)CC1 ZINC001755025173 1407047543 /nfs/dbraw/zinc/04/75/43/1407047543.db2.gz PSTXMUVRAGBHCP-OALUTQOASA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)C)CC1 ZINC001755025173 1407047551 /nfs/dbraw/zinc/04/75/51/1407047551.db2.gz PSTXMUVRAGBHCP-OALUTQOASA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)C)CC1 ZINC001755025173 1407047558 /nfs/dbraw/zinc/04/75/58/1407047558.db2.gz PSTXMUVRAGBHCP-OALUTQOASA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755075541 1407085022 /nfs/dbraw/zinc/08/50/22/1407085022.db2.gz ITAWZEJABZKNLT-FXAWDEMLSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755075541 1407085024 /nfs/dbraw/zinc/08/50/24/1407085024.db2.gz ITAWZEJABZKNLT-FXAWDEMLSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755075541 1407085033 /nfs/dbraw/zinc/08/50/33/1407085033.db2.gz ITAWZEJABZKNLT-FXAWDEMLSA-N 2 1 341.499 2.447 20 30 EEEDMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001424313966 1401051768 /nfs/dbraw/zinc/05/17/68/1401051768.db2.gz KDHCZGXJABXJOF-SFHVURJKSA-N 2 1 330.476 2.179 20 30 EEEDMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C[NH3+] ZINC001576729764 1403600433 /nfs/dbraw/zinc/60/04/33/1403600433.db2.gz YDUKVBBLPCOKMX-GXTWGEPZSA-N 2 1 334.851 2.457 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1C ZINC001731730192 1405893581 /nfs/dbraw/zinc/89/35/81/1405893581.db2.gz ZSBAFCHQBZMERX-HKUYNNGSSA-N 2 1 327.472 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1C ZINC001731730192 1405893587 /nfs/dbraw/zinc/89/35/87/1405893587.db2.gz ZSBAFCHQBZMERX-HKUYNNGSSA-N 2 1 327.472 2.077 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001112397125 1410896637 /nfs/dbraw/zinc/89/66/37/1410896637.db2.gz TXQTXCQGNLUVFY-ZJOUEHCJSA-N 2 1 345.531 2.206 20 30 EEEDMP CC#CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001167243315 757561267 /nfs/dbraw/zinc/56/12/67/757561267.db2.gz PTKLZGPHBZXQRU-UHFFFAOYSA-N 2 1 341.499 2.060 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001203202830 758248708 /nfs/dbraw/zinc/24/87/08/758248708.db2.gz BRCQMSCULGWKBZ-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCC)C1 ZINC001104306196 758303610 /nfs/dbraw/zinc/30/36/10/758303610.db2.gz PZLRWXSPJOPJIF-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCC)C1 ZINC001104306196 758303622 /nfs/dbraw/zinc/30/36/22/758303622.db2.gz PZLRWXSPJOPJIF-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C(C)(C)[C@H]21 ZINC001087296341 761512181 /nfs/dbraw/zinc/51/21/81/761512181.db2.gz XRDQKAOSDIQBDV-KURKYZTESA-N 2 1 336.439 2.186 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415926 768912353 /nfs/dbraw/zinc/91/23/53/768912353.db2.gz FPMSTYAUYFVYSH-SFHVURJKSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CCCC3)CC[C@@H]2C1 ZINC001087998271 782745932 /nfs/dbraw/zinc/74/59/32/782745932.db2.gz ZPWDSRPMNIFVGT-AABGKKOBSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CCCC3)CC[C@@H]2C1 ZINC001087998271 782745934 /nfs/dbraw/zinc/74/59/34/782745934.db2.gz ZPWDSRPMNIFVGT-AABGKKOBSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C1 ZINC001087998271 782745940 /nfs/dbraw/zinc/74/59/40/782745940.db2.gz ZPWDSRPMNIFVGT-AABGKKOBSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C1 ZINC001087998271 782745942 /nfs/dbraw/zinc/74/59/42/782745942.db2.gz ZPWDSRPMNIFVGT-AABGKKOBSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529919 770345371 /nfs/dbraw/zinc/34/53/71/770345371.db2.gz VPRPAXALEYKOKL-BQFCYCMXSA-N 2 1 339.911 2.442 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980215648 774125543 /nfs/dbraw/zinc/12/55/43/774125543.db2.gz HXXUTPVHKLGLHA-XUVXKRRUSA-N 2 1 345.531 2.347 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1ccnc1 ZINC001089841926 777736251 /nfs/dbraw/zinc/73/62/51/777736251.db2.gz BRRSETOAWPMSJD-MLHJIOFPSA-N 2 1 328.460 2.018 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)CC1 ZINC001040924559 778798170 /nfs/dbraw/zinc/79/81/70/778798170.db2.gz OJMJTZYOKVMWEY-FQEVSTJZSA-N 2 1 331.504 2.363 20 30 EEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC000982159220 779197883 /nfs/dbraw/zinc/19/78/83/779197883.db2.gz AVYQUTAMNTUELW-UHFFFAOYSA-N 2 1 327.472 2.472 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211707156 779205439 /nfs/dbraw/zinc/20/54/39/779205439.db2.gz DLXZXETUPFIARJ-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306259 779658918 /nfs/dbraw/zinc/65/89/18/779658918.db2.gz OSIWPRPLCFVPRD-JYRKZWEQSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982306259 779658928 /nfs/dbraw/zinc/65/89/28/779658928.db2.gz OSIWPRPLCFVPRD-JYRKZWEQSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982306259 779658931 /nfs/dbraw/zinc/65/89/31/779658931.db2.gz OSIWPRPLCFVPRD-JYRKZWEQSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@]2(C)C1 ZINC000982318698 779697898 /nfs/dbraw/zinc/69/78/98/779697898.db2.gz HXQRRTZRJRJKBD-BGYRXZFFSA-N 2 1 336.439 2.060 20 30 EEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327836 783520500 /nfs/dbraw/zinc/52/05/00/783520500.db2.gz XZUQTQJXRIMWMF-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC000945183875 783574867 /nfs/dbraw/zinc/57/48/67/783574867.db2.gz UGTFCAWONNKVQW-YLJYHZDGSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035195794 784089495 /nfs/dbraw/zinc/08/94/95/784089495.db2.gz KFECPDVIJLWRLP-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035195794 784089501 /nfs/dbraw/zinc/08/95/01/784089501.db2.gz KFECPDVIJLWRLP-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035195794 784089505 /nfs/dbraw/zinc/08/95/05/784089505.db2.gz KFECPDVIJLWRLP-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035237834 784158045 /nfs/dbraw/zinc/15/80/45/784158045.db2.gz WVKRFUGBNQUGBD-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035237834 784158048 /nfs/dbraw/zinc/15/80/48/784158048.db2.gz WVKRFUGBNQUGBD-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035237834 784158055 /nfs/dbraw/zinc/15/80/55/784158055.db2.gz WVKRFUGBNQUGBD-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC(CC)CC)C2)CC1 ZINC001035724821 785023760 /nfs/dbraw/zinc/02/37/60/785023760.db2.gz UQDINXDRNGFFJT-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC(CC)CC)C2)CC1 ZINC001035724821 785023767 /nfs/dbraw/zinc/02/37/67/785023767.db2.gz UQDINXDRNGFFJT-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)c1cc(C[NH+](C)C)on1)CC2 ZINC001035739837 785053315 /nfs/dbraw/zinc/05/33/15/785053315.db2.gz OROILOCPSJRHTQ-UHFFFAOYSA-N 2 1 346.475 2.240 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000995900819 785799515 /nfs/dbraw/zinc/79/95/15/785799515.db2.gz ZUKWLTAJFQIZJV-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001036193316 785964320 /nfs/dbraw/zinc/96/43/20/785964320.db2.gz MESIJZPQWVVMDN-UKRRQHHQSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC2CCCC2)CC1 ZINC000996687693 787139378 /nfs/dbraw/zinc/13/93/78/787139378.db2.gz YIQLXGKWNVQXKP-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC2CCCC2)CC1 ZINC000996687693 787139383 /nfs/dbraw/zinc/13/93/83/787139383.db2.gz YIQLXGKWNVQXKP-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001091065362 789687645 /nfs/dbraw/zinc/68/76/45/789687645.db2.gz BDDKMSBPXZGNMX-HWOWSKLDSA-N 2 1 327.900 2.201 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146334186 791179247 /nfs/dbraw/zinc/17/92/47/791179247.db2.gz VKRMTPJTYBMNIG-LSDHHAIUSA-N 2 1 339.443 2.136 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146594830 791365903 /nfs/dbraw/zinc/36/59/03/791365903.db2.gz VHRVLCRRQQXLGL-ZWKOTPCHSA-N 2 1 329.488 2.251 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998103160 791970890 /nfs/dbraw/zinc/97/08/90/791970890.db2.gz PHXJRNZYMMRJJD-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998103160 791970895 /nfs/dbraw/zinc/97/08/95/791970895.db2.gz PHXJRNZYMMRJJD-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998103160 791970901 /nfs/dbraw/zinc/97/09/01/791970901.db2.gz PHXJRNZYMMRJJD-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673562 792163031 /nfs/dbraw/zinc/16/30/31/792163031.db2.gz FRZAQXVGBXCBDD-OPYAIIAOSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673562 792163036 /nfs/dbraw/zinc/16/30/36/792163036.db2.gz FRZAQXVGBXCBDD-OPYAIIAOSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673562 792163042 /nfs/dbraw/zinc/16/30/42/792163042.db2.gz FRZAQXVGBXCBDD-OPYAIIAOSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148590324 792574112 /nfs/dbraw/zinc/57/41/12/792574112.db2.gz CCQFLTJZGPVSGA-UHFFFAOYSA-N 2 1 333.520 2.446 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC=C(C)C)CC3)CC1 ZINC000992504101 794433595 /nfs/dbraw/zinc/43/35/95/794433595.db2.gz GBUVPUYQPQMXKV-TZIWHRDSSA-N 2 1 343.515 2.411 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107999098 795358592 /nfs/dbraw/zinc/35/85/92/795358592.db2.gz XIVNDHWPDOYYHF-QUCCMNQESA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107999098 795358598 /nfs/dbraw/zinc/35/85/98/795358598.db2.gz XIVNDHWPDOYYHF-QUCCMNQESA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001107999098 795358606 /nfs/dbraw/zinc/35/86/06/795358606.db2.gz XIVNDHWPDOYYHF-QUCCMNQESA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001107999098 795358609 /nfs/dbraw/zinc/35/86/09/795358609.db2.gz XIVNDHWPDOYYHF-QUCCMNQESA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672413 796085769 /nfs/dbraw/zinc/08/57/69/796085769.db2.gz UNUZDWYJNCZFTB-UKRRQHHQSA-N 2 1 329.916 2.401 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993579335 796806638 /nfs/dbraw/zinc/80/66/38/796806638.db2.gz SFCQUTUQNUOBOC-NVXWUHKLSA-N 2 1 339.443 2.426 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993617477 796843625 /nfs/dbraw/zinc/84/36/25/796843625.db2.gz CSNPIYMHKHOQLQ-PXNSSMCTSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(Cl)CN1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993806001 797032444 /nfs/dbraw/zinc/03/24/44/797032444.db2.gz OGBKUCTUCDHGMZ-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)CN1CCC[C@H](NC(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC000993806001 797032453 /nfs/dbraw/zinc/03/24/53/797032453.db2.gz OGBKUCTUCDHGMZ-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426435 797447428 /nfs/dbraw/zinc/44/74/28/797447428.db2.gz ZAHPXIMVVJANKF-LJQANCHMSA-N 2 1 340.471 2.237 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082568169 797591716 /nfs/dbraw/zinc/59/17/16/797591716.db2.gz CPWWJKFTGPPAEU-RLLQIKCJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082568169 797591721 /nfs/dbraw/zinc/59/17/21/797591721.db2.gz CPWWJKFTGPPAEU-RLLQIKCJSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001082944066 797760906 /nfs/dbraw/zinc/76/09/06/797760906.db2.gz BDGLVKCDDJKAAK-XYPHTWIQSA-N 2 1 335.879 2.478 20 30 EEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175273323 798064228 /nfs/dbraw/zinc/06/42/28/798064228.db2.gz QUHBIOCHNMSZGY-RDJZCZTQSA-N 2 1 330.476 2.042 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cc1cnc[nH]1 ZINC001175477146 798117763 /nfs/dbraw/zinc/11/77/63/798117763.db2.gz FPKFWVZTICLZDM-HNNXBMFYSA-N 2 1 339.443 2.289 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406183 798417497 /nfs/dbraw/zinc/41/74/97/798417497.db2.gz IIRBEHHUSSRNSY-DLBZAZTESA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406183 798417500 /nfs/dbraw/zinc/41/75/00/798417500.db2.gz IIRBEHHUSSRNSY-DLBZAZTESA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406683 798424651 /nfs/dbraw/zinc/42/46/51/798424651.db2.gz QIOHMOCTWANOAM-IRXDYDNUSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406683 798424654 /nfs/dbraw/zinc/42/46/54/798424654.db2.gz QIOHMOCTWANOAM-IRXDYDNUSA-N 2 1 342.487 2.391 20 30 EEEDMP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176753052 798568871 /nfs/dbraw/zinc/56/88/71/798568871.db2.gz CNDZAMIJGHZNIQ-AWEZNQCLSA-N 2 1 348.329 2.500 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978248 798591424 /nfs/dbraw/zinc/59/14/24/798591424.db2.gz FFSFQRQLEFXDJR-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978248 798591426 /nfs/dbraw/zinc/59/14/26/798591426.db2.gz FFSFQRQLEFXDJR-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978248 798591429 /nfs/dbraw/zinc/59/14/29/798591429.db2.gz FFSFQRQLEFXDJR-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C ZINC001177485379 798977569 /nfs/dbraw/zinc/97/75/69/798977569.db2.gz XXIVUOOLEZUVGI-UHFFFAOYSA-N 2 1 330.476 2.213 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178729338 799618158 /nfs/dbraw/zinc/61/81/58/799618158.db2.gz UKZSCOLKFRWUBO-SFHVURJKSA-N 2 1 339.524 2.330 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001179807244 800113404 /nfs/dbraw/zinc/11/34/04/800113404.db2.gz ZIHFMUDBKORYRY-YJBOKZPZSA-N 2 1 339.443 2.426 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)C1 ZINC001085421918 800479962 /nfs/dbraw/zinc/47/99/62/800479962.db2.gz BBBJLDKBHGCPIS-KBRIMQKVSA-N 2 1 346.500 2.088 20 30 EEEDMP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001003966491 800648554 /nfs/dbraw/zinc/64/85/54/800648554.db2.gz COAZRUBDWFOVAO-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001003966491 800648557 /nfs/dbraw/zinc/64/85/57/800648557.db2.gz COAZRUBDWFOVAO-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165119 801511972 /nfs/dbraw/zinc/51/19/72/801511972.db2.gz NXVVVIMKGXWWCW-FRFSOERESA-N 2 1 327.900 2.155 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004452130 802084373 /nfs/dbraw/zinc/08/43/73/802084373.db2.gz RILOMBGIZHZXJT-XUVXKRRUSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004452130 802084380 /nfs/dbraw/zinc/08/43/80/802084380.db2.gz RILOMBGIZHZXJT-XUVXKRRUSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004452130 802084386 /nfs/dbraw/zinc/08/43/86/802084386.db2.gz RILOMBGIZHZXJT-XUVXKRRUSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001004462067 802134391 /nfs/dbraw/zinc/13/43/91/802134391.db2.gz CTDXTXKCVNKAJH-JFIYKMOQSA-N 2 1 328.460 2.402 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946616137 802174829 /nfs/dbraw/zinc/17/48/29/802174829.db2.gz WUCCGOSBSQEHRD-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616137 802174833 /nfs/dbraw/zinc/17/48/33/802174833.db2.gz WUCCGOSBSQEHRD-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616137 802174836 /nfs/dbraw/zinc/17/48/36/802174836.db2.gz WUCCGOSBSQEHRD-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004549283 802350942 /nfs/dbraw/zinc/35/09/42/802350942.db2.gz XDSIBZYDUCJLBW-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001004549283 802350949 /nfs/dbraw/zinc/35/09/49/802350949.db2.gz XDSIBZYDUCJLBW-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001004549283 802350952 /nfs/dbraw/zinc/35/09/52/802350952.db2.gz XDSIBZYDUCJLBW-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108395141 803446137 /nfs/dbraw/zinc/44/61/37/803446137.db2.gz OVMFSMFRNSTOMU-MJGOQNOKSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108395141 803446143 /nfs/dbraw/zinc/44/61/43/803446143.db2.gz OVMFSMFRNSTOMU-MJGOQNOKSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108395141 803446145 /nfs/dbraw/zinc/44/61/45/803446145.db2.gz OVMFSMFRNSTOMU-MJGOQNOKSA-N 2 1 339.524 2.116 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399860 803463384 /nfs/dbraw/zinc/46/33/84/803463384.db2.gz YOSNDCONKXGTMI-IBGZPJMESA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717591 804387242 /nfs/dbraw/zinc/38/72/42/804387242.db2.gz PONNTKFWCCKIJB-KKUMJFAQSA-N 2 1 327.900 2.438 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001170211538 809814617 /nfs/dbraw/zinc/81/46/17/809814617.db2.gz PCJZCGYYDGMSKC-UHFFFAOYSA-N 2 1 335.879 2.129 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001129418603 810832994 /nfs/dbraw/zinc/83/29/94/810832994.db2.gz VKWCBLYHZFMULB-QGZVFWFLSA-N 2 1 346.450 2.166 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC001129430331 810850635 /nfs/dbraw/zinc/85/06/35/810850635.db2.gz SRLAHAIZQCILOO-IBGZPJMESA-N 2 1 340.471 2.171 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086624114 810936080 /nfs/dbraw/zinc/93/60/80/810936080.db2.gz NWCYSRAQJHMAGQ-CEXWTWQISA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086624114 810936087 /nfs/dbraw/zinc/93/60/87/810936087.db2.gz NWCYSRAQJHMAGQ-CEXWTWQISA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086624114 810936095 /nfs/dbraw/zinc/93/60/95/810936095.db2.gz NWCYSRAQJHMAGQ-CEXWTWQISA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001130401705 811580768 /nfs/dbraw/zinc/58/07/68/811580768.db2.gz LCKDEKBYRGRGKU-HNNXBMFYSA-N 2 1 347.507 2.122 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001130401705 811580769 /nfs/dbraw/zinc/58/07/69/811580769.db2.gz LCKDEKBYRGRGKU-HNNXBMFYSA-N 2 1 347.507 2.122 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001130401705 811580771 /nfs/dbraw/zinc/58/07/71/811580771.db2.gz LCKDEKBYRGRGKU-HNNXBMFYSA-N 2 1 347.507 2.122 20 30 EEEDMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001130617862 811860617 /nfs/dbraw/zinc/86/06/17/811860617.db2.gz LRQSFWNNAUMYFG-UHFFFAOYSA-N 2 1 342.487 2.417 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001440131798 1093197820 /nfs/dbraw/zinc/19/78/20/1093197820.db2.gz ZMOBQCIPUCJYQW-KGLIPLIRSA-N 2 1 346.313 2.063 20 30 EEEDMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001440467478 1093692062 /nfs/dbraw/zinc/69/20/62/1093692062.db2.gz KDHCZGXJABXJOF-GOSISDBHSA-N 2 1 330.476 2.179 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001440599557 1093864557 /nfs/dbraw/zinc/86/45/57/1093864557.db2.gz PDBNCVQPHRGRGY-WMLDXEAASA-N 2 1 348.516 2.288 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001447080065 1101946759 /nfs/dbraw/zinc/94/67/59/1101946759.db2.gz TWQGSUHWJLFQLH-KLHDSHLOSA-N 2 1 327.900 2.344 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498416444 1107483717 /nfs/dbraw/zinc/48/37/17/1107483717.db2.gz VAVADBRXDRQBSJ-KRWDZBQOSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001502142328 1113614395 /nfs/dbraw/zinc/61/43/95/1113614395.db2.gz FNFCZQDRYBIBCI-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001502142328 1113614396 /nfs/dbraw/zinc/61/43/96/1113614396.db2.gz FNFCZQDRYBIBCI-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001502142328 1113614398 /nfs/dbraw/zinc/61/43/98/1113614398.db2.gz FNFCZQDRYBIBCI-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000180997441 234056118 /nfs/dbraw/zinc/05/61/18/234056118.db2.gz DYLCSFUZLVIEJA-INIZCTEOSA-N 2 1 327.453 2.476 20 30 EEEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528385624 270022115 /nfs/dbraw/zinc/02/21/15/270022115.db2.gz CAKAJPIVAMZZJM-MOPGFXCFSA-N 2 1 343.471 2.248 20 30 EEEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528385624 270022116 /nfs/dbraw/zinc/02/21/16/270022116.db2.gz CAKAJPIVAMZZJM-MOPGFXCFSA-N 2 1 343.471 2.248 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137448705 463293396 /nfs/dbraw/zinc/29/33/96/463293396.db2.gz FCJYMSWXSYFYPJ-FXAWDEMLSA-N 2 1 339.483 2.111 20 30 EEEDMP C[NH+]=C(NCc1ccc(F)c(F)c1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262830778 464047751 /nfs/dbraw/zinc/04/77/51/464047751.db2.gz ZVNAQNZUCBCZNQ-INIZCTEOSA-N 2 1 342.459 2.067 20 30 EEEDMP CCN(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccco1 ZINC000264068174 464279701 /nfs/dbraw/zinc/27/97/01/464279701.db2.gz BZVPPYSDEMCPJI-HZPDHXFCSA-N 2 1 335.496 2.051 20 30 EEEDMP CN1CC[N@@H+](CCCNC(=[NH2+])NC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000264136737 464286635 /nfs/dbraw/zinc/28/66/35/464286635.db2.gz ZWWSYEDFGFRSEN-QGZVFWFLSA-N 2 1 331.508 2.068 20 30 EEEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])NC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000264136737 464286640 /nfs/dbraw/zinc/28/66/40/464286640.db2.gz ZWWSYEDFGFRSEN-QGZVFWFLSA-N 2 1 331.508 2.068 20 30 EEEDMP C[N@H+]1CCN(CCCNC(=[NH2+])NC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000264136737 464286644 /nfs/dbraw/zinc/28/66/44/464286644.db2.gz ZWWSYEDFGFRSEN-QGZVFWFLSA-N 2 1 331.508 2.068 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000267452697 464933276 /nfs/dbraw/zinc/93/32/76/464933276.db2.gz RXBBOZSCJOTYRG-MRXNPFEDSA-N 2 1 348.491 2.025 20 30 EEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000360948719 465656031 /nfs/dbraw/zinc/65/60/31/465656031.db2.gz VPLACISPIGROCG-WDYCEAGBSA-N 2 1 334.508 2.285 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@@H](C)C1 ZINC000372065783 466142702 /nfs/dbraw/zinc/14/27/02/466142702.db2.gz IDALEQURXOJZFP-YJBOKZPZSA-N 2 1 327.476 2.242 20 30 EEEDMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000530337022 467977248 /nfs/dbraw/zinc/97/72/48/467977248.db2.gz AYAXSWFCSUWOLM-OWCLPIDISA-N 2 1 332.492 2.180 20 30 EEEDMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000530337022 467977250 /nfs/dbraw/zinc/97/72/50/467977250.db2.gz AYAXSWFCSUWOLM-OWCLPIDISA-N 2 1 332.492 2.180 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000488846371 468108529 /nfs/dbraw/zinc/10/85/29/468108529.db2.gz STKLYJYRDFTCKD-ZIFCJYIRSA-N 2 1 348.535 2.399 20 30 EEEDMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595620635 468926338 /nfs/dbraw/zinc/92/63/38/468926338.db2.gz NYZHLJYYYRVIIQ-AEFFLSMTSA-N 2 1 328.460 2.031 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000609133486 469894288 /nfs/dbraw/zinc/89/42/88/469894288.db2.gz MYEQHIZXLORUEI-VQIMIIECSA-N 2 1 336.524 2.482 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000291923143 526930183 /nfs/dbraw/zinc/93/01/83/526930183.db2.gz RWERIFDWZUNICJ-YLJYHZDGSA-N 2 1 339.483 2.111 20 30 EEEDMP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000104164722 528192549 /nfs/dbraw/zinc/19/25/49/528192549.db2.gz BDJIYYZOCDCWTL-IBGZPJMESA-N 3 1 345.535 2.417 20 30 EEEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000104170025 529142686 /nfs/dbraw/zinc/14/26/86/529142686.db2.gz XKVLQRLXMQTWNI-UHFFFAOYSA-N 2 1 343.519 2.320 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971845674 676881891 /nfs/dbraw/zinc/88/18/91/676881891.db2.gz YQJKDZWANNAMNV-HZPDHXFCSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000971845674 676881892 /nfs/dbraw/zinc/88/18/92/676881892.db2.gz YQJKDZWANNAMNV-HZPDHXFCSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845674 676881893 /nfs/dbraw/zinc/88/18/93/676881893.db2.gz YQJKDZWANNAMNV-HZPDHXFCSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845674 676881895 /nfs/dbraw/zinc/88/18/95/676881895.db2.gz YQJKDZWANNAMNV-HZPDHXFCSA-N 2 1 327.900 2.392 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001023130935 679137602 /nfs/dbraw/zinc/13/76/02/679137602.db2.gz NZMQLNTWBQWROP-OTWHNJEPSA-N 2 1 340.471 2.169 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414699 679298205 /nfs/dbraw/zinc/29/82/05/679298205.db2.gz YSBBDHVRRJGLAP-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414699 679298206 /nfs/dbraw/zinc/29/82/06/679298206.db2.gz YSBBDHVRRJGLAP-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414699 679298207 /nfs/dbraw/zinc/29/82/07/679298207.db2.gz YSBBDHVRRJGLAP-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001023514233 679352394 /nfs/dbraw/zinc/35/23/94/679352394.db2.gz JMCUOCAMJJCSKY-QGZVFWFLSA-N 2 1 336.439 2.337 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624513 681291595 /nfs/dbraw/zinc/29/15/95/681291595.db2.gz UFFAFEXDRYOJMT-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624513 681291598 /nfs/dbraw/zinc/29/15/98/681291598.db2.gz UFFAFEXDRYOJMT-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2C[C@H](F)CC)CC1 ZINC001024813229 681466199 /nfs/dbraw/zinc/46/61/99/681466199.db2.gz WURYTXVGCMUTHH-MSOLQXFVSA-N 2 1 337.483 2.050 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982616041 681801548 /nfs/dbraw/zinc/80/15/48/681801548.db2.gz BILHKKCIGMOJAA-BGYRXZFFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541715 681864775 /nfs/dbraw/zinc/86/47/75/681864775.db2.gz FBSHKOOFMATTJX-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541715 681864780 /nfs/dbraw/zinc/86/47/80/681864780.db2.gz FBSHKOOFMATTJX-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541715 681864789 /nfs/dbraw/zinc/86/47/89/681864789.db2.gz FBSHKOOFMATTJX-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@]2(C)C1 ZINC000982671507 682010416 /nfs/dbraw/zinc/01/04/16/682010416.db2.gz MIXCWSHRMAWZCO-BGYRXZFFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982724895 682110660 /nfs/dbraw/zinc/11/06/60/682110660.db2.gz FYLRJLLBODTXTB-LFGUQSLTSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259454 682338459 /nfs/dbraw/zinc/33/84/59/682338459.db2.gz PRFPHCWJGFKOSC-ZWKOTPCHSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253866 682342182 /nfs/dbraw/zinc/34/21/82/682342182.db2.gz XOZYTARGHUWFAC-QZTJIDSGSA-N 2 1 328.460 2.060 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253866 682342183 /nfs/dbraw/zinc/34/21/83/682342183.db2.gz XOZYTARGHUWFAC-QZTJIDSGSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647028 693746684 /nfs/dbraw/zinc/74/66/84/693746684.db2.gz KPTZARIDCLZDMG-UYAOXDASSA-N 2 1 327.472 2.019 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2cc(C)ccc12 ZINC000303984771 686964902 /nfs/dbraw/zinc/96/49/02/686964902.db2.gz SKEMGRRCJXOETP-MRXNPFEDSA-N 2 1 327.476 2.407 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001754745088 1179314898 /nfs/dbraw/zinc/31/48/98/1179314898.db2.gz TUXBZERIPDYGBO-OAHLLOKOSA-N 2 1 329.435 2.122 20 30 EEEDMP CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001105446503 1187199566 /nfs/dbraw/zinc/19/95/66/1187199566.db2.gz MPTBGSFQBLRCMI-TYKWCNGQSA-N 2 1 341.499 2.158 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105574709 1188188292 /nfs/dbraw/zinc/18/82/92/1188188292.db2.gz FQJNIDASAMESGH-RBUKOAKNSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577060 1188191255 /nfs/dbraw/zinc/19/12/55/1188191255.db2.gz PVMFZYRIWLQCED-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076364736 1188873950 /nfs/dbraw/zinc/87/39/50/1188873950.db2.gz PMYZZWYIBWNPNE-RBUKOAKNSA-N 2 1 327.472 2.471 20 30 EEEDMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001484996951 1191607442 /nfs/dbraw/zinc/60/74/42/1191607442.db2.gz GUQGGBCJRZITCN-MAUKXSAKSA-N 2 1 347.890 2.270 20 30 EEEDMP C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001273101070 1194383100 /nfs/dbraw/zinc/38/31/00/1194383100.db2.gz MYFOFDHZSONNSP-HXUWFJFHSA-N 2 1 347.503 2.136 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033777024 1195261165 /nfs/dbraw/zinc/26/11/65/1195261165.db2.gz SFJWFFPAKZGDMQ-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001034047119 1195699294 /nfs/dbraw/zinc/69/92/94/1195699294.db2.gz ZGOBBGUCTYPQLP-MPNRVQBSSA-N 2 1 337.895 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001034047119 1195699297 /nfs/dbraw/zinc/69/92/97/1195699297.db2.gz ZGOBBGUCTYPQLP-MPNRVQBSSA-N 2 1 337.895 2.007 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001034139582 1195813069 /nfs/dbraw/zinc/81/30/69/1195813069.db2.gz UUMIJYGZLUMCMX-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001034139582 1195813075 /nfs/dbraw/zinc/81/30/75/1195813075.db2.gz UUMIJYGZLUMCMX-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001034139582 1195813078 /nfs/dbraw/zinc/81/30/78/1195813078.db2.gz UUMIJYGZLUMCMX-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034528044 1196332082 /nfs/dbraw/zinc/33/20/82/1196332082.db2.gz IUYZLZJSDYCPJM-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001034539264 1196363515 /nfs/dbraw/zinc/36/35/15/1196363515.db2.gz ZVHPKYHEIVUDGB-SJLPKXTDSA-N 2 1 337.483 2.050 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132368995 1199622575 /nfs/dbraw/zinc/62/25/75/1199622575.db2.gz SFVGKIBCOFZTHJ-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132368995 1199622578 /nfs/dbraw/zinc/62/25/78/1199622578.db2.gz SFVGKIBCOFZTHJ-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132411394 1199681236 /nfs/dbraw/zinc/68/12/36/1199681236.db2.gz ZDARCUQIMXBZTA-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132411394 1199681239 /nfs/dbraw/zinc/68/12/39/1199681239.db2.gz ZDARCUQIMXBZTA-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132411394 1199681242 /nfs/dbraw/zinc/68/12/42/1199681242.db2.gz ZDARCUQIMXBZTA-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011586 1200332565 /nfs/dbraw/zinc/33/25/65/1200332565.db2.gz KTEXWPVAFXOVIN-ZWKOTPCHSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001133403840 1200865267 /nfs/dbraw/zinc/86/52/67/1200865267.db2.gz MKIHPNJAXRYJEK-MRXNPFEDSA-N 2 1 347.890 2.376 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)cc(C[NH+](C)C)c2)C1=O ZINC001274492312 1205056909 /nfs/dbraw/zinc/05/69/09/1205056909.db2.gz KOYNWPXZVYBCJI-FQEVSTJZSA-N 2 1 343.446 2.087 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)cc(C[NH+](C)C)c2)C1=O ZINC001274492312 1205056912 /nfs/dbraw/zinc/05/69/12/1205056912.db2.gz KOYNWPXZVYBCJI-FQEVSTJZSA-N 2 1 343.446 2.087 20 30 EEEDMP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cocn2)CC3)cc1C#N ZINC001276238018 1205848586 /nfs/dbraw/zinc/84/85/86/1205848586.db2.gz CGZONXVEZQGMGM-UHFFFAOYSA-N 2 1 339.443 2.373 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cocn2)CC3)cc1C#N ZINC001276238018 1205848587 /nfs/dbraw/zinc/84/85/87/1205848587.db2.gz CGZONXVEZQGMGM-UHFFFAOYSA-N 2 1 339.443 2.373 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cnoc4)C[C@H]3CC2)cc1C#N ZINC001276254120 1205856647 /nfs/dbraw/zinc/85/66/47/1205856647.db2.gz YRNGZSZQLNGYDS-HDICACEKSA-N 2 1 339.443 2.229 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cnoc4)C[C@H]3CC2)cc1C#N ZINC001276254120 1205856649 /nfs/dbraw/zinc/85/66/49/1205856649.db2.gz YRNGZSZQLNGYDS-HDICACEKSA-N 2 1 339.443 2.229 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4cnoc4)C[C@H]3CC2)cc1C#N ZINC001276254120 1205856650 /nfs/dbraw/zinc/85/66/50/1205856650.db2.gz YRNGZSZQLNGYDS-HDICACEKSA-N 2 1 339.443 2.229 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000778962921 1208421885 /nfs/dbraw/zinc/42/18/85/1208421885.db2.gz GDOSNAYDXCPCQB-RLLQIKCJSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000778962921 1208421886 /nfs/dbraw/zinc/42/18/86/1208421886.db2.gz GDOSNAYDXCPCQB-RLLQIKCJSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778962921 1208421888 /nfs/dbraw/zinc/42/18/88/1208421888.db2.gz GDOSNAYDXCPCQB-RLLQIKCJSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778962921 1208421891 /nfs/dbraw/zinc/42/18/91/1208421891.db2.gz GDOSNAYDXCPCQB-RLLQIKCJSA-N 2 1 339.483 2.111 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948710381 1209316507 /nfs/dbraw/zinc/31/65/07/1209316507.db2.gz APNZYKIKCKVGSJ-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710381 1209316509 /nfs/dbraw/zinc/31/65/09/1209316509.db2.gz APNZYKIKCKVGSJ-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710381 1209316511 /nfs/dbraw/zinc/31/65/11/1209316511.db2.gz APNZYKIKCKVGSJ-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948717131 1209322786 /nfs/dbraw/zinc/32/27/86/1209322786.db2.gz MWXYSYLEBOORFV-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948717131 1209322789 /nfs/dbraw/zinc/32/27/89/1209322789.db2.gz MWXYSYLEBOORFV-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948982433 1209487729 /nfs/dbraw/zinc/48/77/29/1209487729.db2.gz LIMVYADEUFQLEM-LJQANCHMSA-N 2 1 339.483 2.374 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)CC[C@H]1CCC[N@@H+]1C)CCO2 ZINC000949114965 1209541384 /nfs/dbraw/zinc/54/13/84/1209541384.db2.gz OESPCANFOKUNLF-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)CC1 ZINC000957592227 1215237556 /nfs/dbraw/zinc/23/75/56/1215237556.db2.gz QZFDWTCLIFOKDC-IBGZPJMESA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605411 1215250044 /nfs/dbraw/zinc/25/00/44/1215250044.db2.gz AIPKWEDAYKHINT-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961204804 1217088402 /nfs/dbraw/zinc/08/84/02/1217088402.db2.gz ZTDJKSAAUOKKTR-QZTJIDSGSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961204804 1217088405 /nfs/dbraw/zinc/08/84/05/1217088405.db2.gz ZTDJKSAAUOKKTR-QZTJIDSGSA-N 2 1 330.476 2.328 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961374983 1217163538 /nfs/dbraw/zinc/16/35/38/1217163538.db2.gz NBCZKDDOGAOXNP-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961374983 1217163540 /nfs/dbraw/zinc/16/35/40/1217163540.db2.gz NBCZKDDOGAOXNP-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961374983 1217163543 /nfs/dbraw/zinc/16/35/43/1217163543.db2.gz NBCZKDDOGAOXNP-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961432783 1217188158 /nfs/dbraw/zinc/18/81/58/1217188158.db2.gz SHKOFLWEPKPNTB-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432783 1217188161 /nfs/dbraw/zinc/18/81/61/1217188161.db2.gz SHKOFLWEPKPNTB-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432783 1217188164 /nfs/dbraw/zinc/18/81/64/1217188164.db2.gz SHKOFLWEPKPNTB-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000962307477 1217604338 /nfs/dbraw/zinc/60/43/38/1217604338.db2.gz TTWWLEJGASPMTR-WLYUNCDWSA-N 2 1 346.500 2.088 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419545 1217615523 /nfs/dbraw/zinc/61/55/23/1217615523.db2.gz VMCCXNQDBGZODR-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419545 1217615526 /nfs/dbraw/zinc/61/55/26/1217615526.db2.gz VMCCXNQDBGZODR-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000963947307 1218145649 /nfs/dbraw/zinc/14/56/49/1218145649.db2.gz QXEUACFDXYSKSI-OIFHUDRTSA-N 2 1 329.488 2.044 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000964669107 1218525231 /nfs/dbraw/zinc/52/52/31/1218525231.db2.gz LPAHKPDVLMLXFC-RSOWUBFDSA-N 2 1 339.911 2.486 20 30 EEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC000965062280 1218866792 /nfs/dbraw/zinc/86/67/92/1218866792.db2.gz HSUSLQPKFIWYRE-LBOWEKIUSA-N 2 1 337.483 2.402 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180713 1230406784 /nfs/dbraw/zinc/40/67/84/1230406784.db2.gz VHADBARPGTZHPF-OALUTQOASA-N 2 1 333.520 2.156 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040298177 1231157837 /nfs/dbraw/zinc/15/78/37/1231157837.db2.gz VXIFTYLRUGNUTI-FQEVSTJZSA-N 2 1 336.439 2.286 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001041406581 1231533404 /nfs/dbraw/zinc/53/34/04/1231533404.db2.gz CFEGEUJBURRVPC-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041406581 1231533406 /nfs/dbraw/zinc/53/34/06/1231533406.db2.gz CFEGEUJBURRVPC-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041406581 1231533409 /nfs/dbraw/zinc/53/34/09/1231533409.db2.gz CFEGEUJBURRVPC-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041406581 1231533413 /nfs/dbraw/zinc/53/34/13/1231533413.db2.gz CFEGEUJBURRVPC-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785189 1231693791 /nfs/dbraw/zinc/69/37/91/1231693791.db2.gz CFGJHQNWTGIRDI-NVXWUHKLSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785189 1231693792 /nfs/dbraw/zinc/69/37/92/1231693792.db2.gz CFGJHQNWTGIRDI-NVXWUHKLSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785189 1231693793 /nfs/dbraw/zinc/69/37/93/1231693793.db2.gz CFGJHQNWTGIRDI-NVXWUHKLSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785189 1231693794 /nfs/dbraw/zinc/69/37/94/1231693794.db2.gz CFGJHQNWTGIRDI-NVXWUHKLSA-N 2 1 325.884 2.005 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](C/C=C\Cl)C3)C2)CC1 ZINC001041844558 1231728108 /nfs/dbraw/zinc/72/81/08/1231728108.db2.gz KZWFFBCNYZRATF-UVLQEVCMSA-N 2 1 349.906 2.009 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063234 1231862102 /nfs/dbraw/zinc/86/21/02/1231862102.db2.gz SUABWCKJRSAPQV-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042124439 1231904945 /nfs/dbraw/zinc/90/49/45/1231904945.db2.gz GGRCEWHGOUZEGS-AEFFLSMTSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042124439 1231904948 /nfs/dbraw/zinc/90/49/48/1231904948.db2.gz GGRCEWHGOUZEGS-AEFFLSMTSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042124439 1231904950 /nfs/dbraw/zinc/90/49/50/1231904950.db2.gz GGRCEWHGOUZEGS-AEFFLSMTSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCCC)CC1 ZINC001045895504 1234127238 /nfs/dbraw/zinc/12/72/38/1234127238.db2.gz INODMONSQYFVRB-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@]3(CC[N@H+](CCC)C3)C2)CC1 ZINC001045986398 1234281840 /nfs/dbraw/zinc/28/18/40/1234281840.db2.gz POACWELZMMXMMM-OAQYLSRUSA-N 2 1 345.531 2.446 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4ccnc4)cc3)C[C@H]2C1 ZINC001048964166 1239593663 /nfs/dbraw/zinc/59/36/63/1239593663.db2.gz HOZMBKYLWVBXBD-HDICACEKSA-N 2 1 336.439 2.452 20 30 EEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC001000152231 1240002355 /nfs/dbraw/zinc/00/23/55/1240002355.db2.gz BCDDZTBTILZRSA-WMZOPIPTSA-N 2 1 331.504 2.408 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001000686990 1240734989 /nfs/dbraw/zinc/73/49/89/1240734989.db2.gz SUHLMDVVZBKGOF-LJQANCHMSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001000686990 1240734996 /nfs/dbraw/zinc/73/49/96/1240734996.db2.gz SUHLMDVVZBKGOF-LJQANCHMSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001000686990 1240735002 /nfs/dbraw/zinc/73/50/02/1240735002.db2.gz SUHLMDVVZBKGOF-LJQANCHMSA-N 2 1 343.515 2.413 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049488056 1241105180 /nfs/dbraw/zinc/10/51/80/1241105180.db2.gz XMSTYPJOEWANID-RCCFBDPRSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049488056 1241105187 /nfs/dbraw/zinc/10/51/87/1241105187.db2.gz XMSTYPJOEWANID-RCCFBDPRSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001049720941 1241991446 /nfs/dbraw/zinc/99/14/46/1241991446.db2.gz UZOKHZRZTRXHJN-SQGPQFPESA-N 2 1 349.494 2.288 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049720941 1241991453 /nfs/dbraw/zinc/99/14/53/1241991453.db2.gz UZOKHZRZTRXHJN-SQGPQFPESA-N 2 1 349.494 2.288 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049720941 1241991457 /nfs/dbraw/zinc/99/14/57/1241991457.db2.gz UZOKHZRZTRXHJN-SQGPQFPESA-N 2 1 349.494 2.288 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049786489 1242180809 /nfs/dbraw/zinc/18/08/09/1242180809.db2.gz BQTVTAJMPZQCID-RBUKOAKNSA-N 2 1 325.456 2.060 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049918855 1242707717 /nfs/dbraw/zinc/70/77/17/1242707717.db2.gz MZLPFAREMMIRGV-OTWHNJEPSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919835 1242711960 /nfs/dbraw/zinc/71/19/60/1242711960.db2.gz PSHWVHKOABACKN-VQTJNVASSA-N 2 1 339.483 2.450 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001050128086 1242937292 /nfs/dbraw/zinc/93/72/92/1242937292.db2.gz SZWZZJWXCCWEHP-YQVWRLOYSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001050128086 1242937303 /nfs/dbraw/zinc/93/73/03/1242937303.db2.gz SZWZZJWXCCWEHP-YQVWRLOYSA-N 2 1 342.487 2.253 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001096643353 1243034228 /nfs/dbraw/zinc/03/42/28/1243034228.db2.gz KFSWUSMKAFPZMF-NJAFHUGGSA-N 2 1 343.471 2.480 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001050551507 1243831499 /nfs/dbraw/zinc/83/14/99/1243831499.db2.gz YLBWBLOEOXHBOP-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001050551507 1243831508 /nfs/dbraw/zinc/83/15/08/1243831508.db2.gz YLBWBLOEOXHBOP-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053054128 1245783379 /nfs/dbraw/zinc/78/33/79/1245783379.db2.gz IEUPYOBEUBGTIP-WOJBJXKFSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108019 1245928020 /nfs/dbraw/zinc/92/80/20/1245928020.db2.gz ONGSTWWIVMUKEX-OALUTQOASA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001054101147 1247406037 /nfs/dbraw/zinc/40/60/37/1247406037.db2.gz RHXHJMYXMAELOB-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054101147 1247406041 /nfs/dbraw/zinc/40/60/41/1247406041.db2.gz RHXHJMYXMAELOB-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054101147 1247406048 /nfs/dbraw/zinc/40/60/48/1247406048.db2.gz RHXHJMYXMAELOB-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC=C(C)C)C2)C1 ZINC001054147334 1247522967 /nfs/dbraw/zinc/52/29/67/1247522967.db2.gz OLYUSXJVRUXPEM-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001054147334 1247522972 /nfs/dbraw/zinc/52/29/72/1247522972.db2.gz OLYUSXJVRUXPEM-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC=C(C)C)C2)C1 ZINC001054147334 1247522979 /nfs/dbraw/zinc/52/29/79/1247522979.db2.gz OLYUSXJVRUXPEM-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC=C(C)C)C2)C1 ZINC001054147334 1247522985 /nfs/dbraw/zinc/52/29/85/1247522985.db2.gz OLYUSXJVRUXPEM-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@H+](C(C)C)C3)C2)CC1 ZINC001054244599 1247857696 /nfs/dbraw/zinc/85/76/96/1247857696.db2.gz HXEVYBNUOZWZLF-HXUWFJFHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983158 1255546928 /nfs/dbraw/zinc/54/69/28/1255546928.db2.gz MIMDTXMCNGDJNR-LJQANCHMSA-N 2 1 337.483 2.309 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001072983158 1255546931 /nfs/dbraw/zinc/54/69/31/1255546931.db2.gz MIMDTXMCNGDJNR-LJQANCHMSA-N 2 1 337.483 2.309 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001072983158 1255546933 /nfs/dbraw/zinc/54/69/33/1255546933.db2.gz MIMDTXMCNGDJNR-LJQANCHMSA-N 2 1 337.483 2.309 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](C[C@H](F)CC)C3)CC1 ZINC001099174571 1257993877 /nfs/dbraw/zinc/99/38/77/1257993877.db2.gz UNFFJQWWOQYXME-NSHGMRRFSA-N 2 1 349.494 2.050 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001099263665 1258050644 /nfs/dbraw/zinc/05/06/44/1258050644.db2.gz VVXKZFBBKYTVAG-ZIAGYGMSSA-N 2 1 333.398 2.026 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135030267 1278119148 /nfs/dbraw/zinc/11/91/48/1278119148.db2.gz ZWYJKCGAMQXANY-CABCVRRESA-N 2 1 339.443 2.136 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001187299254 1279498589 /nfs/dbraw/zinc/49/85/89/1279498589.db2.gz XXKZORDHQFDGTO-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001192342357 1281938602 /nfs/dbraw/zinc/93/86/02/1281938602.db2.gz DIMOFWNUPNNMMY-ICSRJNTNSA-N 2 1 339.483 2.055 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001192342357 1281938603 /nfs/dbraw/zinc/93/86/03/1281938603.db2.gz DIMOFWNUPNNMMY-ICSRJNTNSA-N 2 1 339.483 2.055 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001192342357 1281938604 /nfs/dbraw/zinc/93/86/04/1281938604.db2.gz DIMOFWNUPNNMMY-ICSRJNTNSA-N 2 1 339.483 2.055 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001192342357 1281938605 /nfs/dbraw/zinc/93/86/05/1281938605.db2.gz DIMOFWNUPNNMMY-ICSRJNTNSA-N 2 1 339.483 2.055 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001152452243 1285168912 /nfs/dbraw/zinc/16/89/12/1285168912.db2.gz XZMKYMCBCOVSIL-GOSISDBHSA-N 2 1 347.890 2.272 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211175675 1295727250 /nfs/dbraw/zinc/72/72/50/1295727250.db2.gz AGHBMDLBNSBEEL-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211175675 1295727263 /nfs/dbraw/zinc/72/72/63/1295727263.db2.gz AGHBMDLBNSBEEL-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC1CCC1)C2 ZINC001072822838 1296184067 /nfs/dbraw/zinc/18/40/67/1296184067.db2.gz VJKDNDGXISNIET-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC1CCC1)C2 ZINC001072822838 1296184077 /nfs/dbraw/zinc/18/40/77/1296184077.db2.gz VJKDNDGXISNIET-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC1CCC1)C2 ZINC001072822838 1296184087 /nfs/dbraw/zinc/18/40/87/1296184087.db2.gz VJKDNDGXISNIET-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2 ZINC001072822838 1296184090 /nfs/dbraw/zinc/18/40/90/1296184090.db2.gz VJKDNDGXISNIET-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214952892 1296664569 /nfs/dbraw/zinc/66/45/69/1296664569.db2.gz QWNJBIUNXCDVFB-BRSBDYLESA-N 2 1 339.524 2.112 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214952892 1296664588 /nfs/dbraw/zinc/66/45/88/1296664588.db2.gz QWNJBIUNXCDVFB-BRSBDYLESA-N 2 1 339.524 2.112 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216353190 1297144373 /nfs/dbraw/zinc/14/43/73/1297144373.db2.gz VZPOFGWWNNKRRB-BHIYHBOVSA-N 2 1 327.472 2.139 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001219033390 1297912754 /nfs/dbraw/zinc/91/27/54/1297912754.db2.gz IKSYCUDZAVGBGP-ZWKOTPCHSA-N 2 1 348.491 2.074 20 30 EEEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001219033390 1297912760 /nfs/dbraw/zinc/91/27/60/1297912760.db2.gz IKSYCUDZAVGBGP-ZWKOTPCHSA-N 2 1 348.491 2.074 20 30 EEEDMP C#CCCC[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276978747 1300635096 /nfs/dbraw/zinc/63/50/96/1300635096.db2.gz RBWLCSMPIYSZPC-AZUAARDMSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001224754369 1300726090 /nfs/dbraw/zinc/72/60/90/1300726090.db2.gz WCPIHRUQTLMROL-UHFFFAOYSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Br)C[NH+]1CCC(CNC(=O)C[NH+](CC)CC)CC1 ZINC001224904620 1300776447 /nfs/dbraw/zinc/77/64/47/1300776447.db2.gz SVXNGHLSJQPQDA-UHFFFAOYSA-N 2 1 346.313 2.065 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)CCC=C)C[C@H]2C)CC1 ZINC001102596391 1301270136 /nfs/dbraw/zinc/27/01/36/1301270136.db2.gz CTIJFJAFNMSUPL-QWFCFKBJSA-N 2 1 345.531 2.370 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC/C=C\CCC)CC1 ZINC001227849482 1301987369 /nfs/dbraw/zinc/98/73/69/1301987369.db2.gz VJIRSAOFOFXASE-RURPWVQCSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC/C=C\CCC)CC1 ZINC001227849482 1301987373 /nfs/dbraw/zinc/98/73/73/1301987373.db2.gz VJIRSAOFOFXASE-RURPWVQCSA-N 2 1 331.504 2.411 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994129 1302039993 /nfs/dbraw/zinc/03/99/93/1302039993.db2.gz RTOJVEOZSGKCFI-BHIYHBOVSA-N 2 1 333.520 2.369 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162974 1302362609 /nfs/dbraw/zinc/36/26/09/1302362609.db2.gz SBQRXQDGJBILOQ-QZTJIDSGSA-N 2 1 342.487 2.005 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376077 1302863337 /nfs/dbraw/zinc/86/33/37/1302863337.db2.gz JPUZTWRTKHZGMV-NXHRZFHOSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376077 1302863348 /nfs/dbraw/zinc/86/33/48/1302863348.db2.gz JPUZTWRTKHZGMV-NXHRZFHOSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)CCCC[NH+](C)C)Cc1cccnc1 ZINC001230905356 1303538217 /nfs/dbraw/zinc/53/82/17/1303538217.db2.gz GJQYVYHGDGVYJI-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(Cl)c(C#N)c1)C2 ZINC001277633168 1304046035 /nfs/dbraw/zinc/04/60/35/1304046035.db2.gz BYBQOKBHDMBRQL-WBVHZDCISA-N 2 1 332.879 2.279 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112189161 1304309548 /nfs/dbraw/zinc/30/95/48/1304309548.db2.gz SRXYOOZZMJYFEP-VXGBXAGGSA-N 2 1 341.805 2.060 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112189161 1304309554 /nfs/dbraw/zinc/30/95/54/1304309554.db2.gz SRXYOOZZMJYFEP-VXGBXAGGSA-N 2 1 341.805 2.060 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115338324 1304964432 /nfs/dbraw/zinc/96/44/32/1304964432.db2.gz ISCSUJBNDZTCSW-QLPKVWCKSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115338324 1304964435 /nfs/dbraw/zinc/96/44/35/1304964435.db2.gz ISCSUJBNDZTCSW-QLPKVWCKSA-N 2 1 325.884 2.051 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001235589319 1305291223 /nfs/dbraw/zinc/29/12/23/1305291223.db2.gz QZUPPEJXOZMWSL-OALUTQOASA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001235589319 1305291226 /nfs/dbraw/zinc/29/12/26/1305291226.db2.gz QZUPPEJXOZMWSL-OALUTQOASA-N 2 1 342.487 2.177 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573091 1305397617 /nfs/dbraw/zinc/39/76/17/1305397617.db2.gz HMTRXKRYSZZURX-MRXNPFEDSA-N 2 1 328.460 2.193 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121861797 1310157188 /nfs/dbraw/zinc/15/71/88/1310157188.db2.gz XLKGWPSKLVIHFT-QAELIBMJSA-N 2 1 331.504 2.290 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001246302943 1310276746 /nfs/dbraw/zinc/27/67/46/1310276746.db2.gz FWZDRCSFFRVTRD-YJBOKZPZSA-N 2 1 334.435 2.499 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001149946776 1316099323 /nfs/dbraw/zinc/09/93/23/1316099323.db2.gz PEJIVJHIUTUJFE-GOSISDBHSA-N 2 1 342.443 2.121 20 30 EEEDMP C=CCC[NH+]1CCC(CCOC)(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001151327572 1316505155 /nfs/dbraw/zinc/50/51/55/1316505155.db2.gz ZPEILBRXYUVAPL-KRWDZBQOSA-N 2 1 337.508 2.034 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824201 1316893329 /nfs/dbraw/zinc/89/33/29/1316893329.db2.gz OTBNYMHASNSZGL-DNVCBOLYSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824201 1316893332 /nfs/dbraw/zinc/89/33/32/1316893332.db2.gz OTBNYMHASNSZGL-DNVCBOLYSA-N 2 1 342.487 2.225 20 30 EEEDMP C[NH+]1CCN(C2CC[NH+](Cc3cc4ccc(C#N)cc4[nH]3)CC2)CC1 ZINC001249429139 1317084144 /nfs/dbraw/zinc/08/41/44/1317084144.db2.gz OYBVLIUTYCKXCJ-UHFFFAOYSA-N 2 1 337.471 2.251 20 30 EEEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001159725049 1319964996 /nfs/dbraw/zinc/96/49/96/1319964996.db2.gz BRSBJOSRWRUQIO-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001159725049 1319964998 /nfs/dbraw/zinc/96/49/98/1319964998.db2.gz BRSBJOSRWRUQIO-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159725049 1319965004 /nfs/dbraw/zinc/96/50/04/1319965004.db2.gz BRSBJOSRWRUQIO-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159725049 1319965008 /nfs/dbraw/zinc/96/50/08/1319965008.db2.gz BRSBJOSRWRUQIO-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(F)(F)CC1 ZINC001160209356 1320099614 /nfs/dbraw/zinc/09/96/14/1320099614.db2.gz JDSGVTXYIGBXBE-INIZCTEOSA-N 2 1 341.446 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(F)(F)CC1 ZINC001160209356 1320099621 /nfs/dbraw/zinc/09/96/21/1320099621.db2.gz JDSGVTXYIGBXBE-INIZCTEOSA-N 2 1 341.446 2.005 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001160266553 1320116591 /nfs/dbraw/zinc/11/65/91/1320116591.db2.gz FKAWPAQOXVMGFY-QGZVFWFLSA-N 2 1 346.450 2.168 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001161212814 1320421695 /nfs/dbraw/zinc/42/16/95/1320421695.db2.gz BAWUISAARAZQMG-FQEVSTJZSA-N 2 1 349.494 2.361 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001161212814 1320421699 /nfs/dbraw/zinc/42/16/99/1320421699.db2.gz BAWUISAARAZQMG-FQEVSTJZSA-N 2 1 349.494 2.361 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001161212814 1320421700 /nfs/dbraw/zinc/42/17/00/1320421700.db2.gz BAWUISAARAZQMG-FQEVSTJZSA-N 2 1 349.494 2.361 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001162840777 1320971664 /nfs/dbraw/zinc/97/16/64/1320971664.db2.gz AFJOTNRNJINTLB-IBGZPJMESA-N 2 1 329.488 2.318 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CC ZINC001162977968 1321003300 /nfs/dbraw/zinc/00/33/00/1321003300.db2.gz ZXQUGQLHVPKLFB-UHFFFAOYSA-N 2 1 329.488 2.012 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001164449267 1321381619 /nfs/dbraw/zinc/38/16/19/1321381619.db2.gz GKEUJKQAANRLHM-IBGZPJMESA-N 2 1 342.487 2.276 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001166667978 1321761131 /nfs/dbraw/zinc/76/11/31/1321761131.db2.gz NCCAGIHEIOMMNE-INIZCTEOSA-N 2 1 347.890 2.129 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204068241 1322029787 /nfs/dbraw/zinc/02/97/87/1322029787.db2.gz BHSBCNITHIFZOP-UHFFFAOYSA-N 2 1 335.879 2.452 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204068241 1322029797 /nfs/dbraw/zinc/02/97/97/1322029797.db2.gz BHSBCNITHIFZOP-UHFFFAOYSA-N 2 1 335.879 2.452 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001206274882 1323444021 /nfs/dbraw/zinc/44/40/21/1323444021.db2.gz MOYLRIBPODJDAA-IBGZPJMESA-N 2 1 337.483 2.050 20 30 EEEDMP C=CCOCC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206601951 1323543537 /nfs/dbraw/zinc/54/35/37/1323543537.db2.gz BDPIIVTVVVYXOK-UHFFFAOYSA-N 2 1 348.491 2.003 20 30 EEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208467638 1324512964 /nfs/dbraw/zinc/51/29/64/1324512964.db2.gz RFIRCBKFSQQVES-LSDHHAIUSA-N 2 1 334.464 2.285 20 30 EEEDMP C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001208596183 1324580852 /nfs/dbraw/zinc/58/08/52/1324580852.db2.gz FFEQRFAYBZLHRM-GOSISDBHSA-N 2 1 347.507 2.132 20 30 EEEDMP C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001208596183 1324580855 /nfs/dbraw/zinc/58/08/55/1324580855.db2.gz FFEQRFAYBZLHRM-GOSISDBHSA-N 2 1 347.507 2.132 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001210477379 1325300869 /nfs/dbraw/zinc/30/08/69/1325300869.db2.gz SXDUUPSWJNBGIG-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001210477379 1325300876 /nfs/dbraw/zinc/30/08/76/1325300876.db2.gz SXDUUPSWJNBGIG-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406635 1338347211 /nfs/dbraw/zinc/34/72/11/1338347211.db2.gz FWONCCYURAPHMR-GPANFISMSA-N 2 1 327.900 2.486 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200722546 1338550509 /nfs/dbraw/zinc/55/05/09/1338550509.db2.gz ZNJJNSZETYHQIK-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CCc3ccccc3)C2)C1 ZINC001121790795 1371923356 /nfs/dbraw/zinc/92/33/56/1371923356.db2.gz CLWQQYIPAYKDIP-UHFFFAOYSA-N 2 1 341.499 2.364 20 30 EEEDMP C[N@@H+](CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001100410904 1373038376 /nfs/dbraw/zinc/03/83/76/1373038376.db2.gz SGBJQGNGQKFTLI-UHFFFAOYSA-N 2 1 346.500 2.088 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001367168770 1374112355 /nfs/dbraw/zinc/11/23/55/1374112355.db2.gz BWWUQLDMFSILSK-SJLPKXTDSA-N 2 1 346.500 2.088 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001371545803 1375491641 /nfs/dbraw/zinc/49/16/41/1375491641.db2.gz PQIYHHIIJBYFPH-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001390160146 1388471366 /nfs/dbraw/zinc/47/13/66/1388471366.db2.gz TYDCPKSYWTUZBO-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001390160146 1388471369 /nfs/dbraw/zinc/47/13/69/1388471369.db2.gz TYDCPKSYWTUZBO-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001390160146 1388471372 /nfs/dbraw/zinc/47/13/72/1388471372.db2.gz TYDCPKSYWTUZBO-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC001390160146 1388471374 /nfs/dbraw/zinc/47/13/74/1388471374.db2.gz TYDCPKSYWTUZBO-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001377000302 1378909697 /nfs/dbraw/zinc/90/96/97/1378909697.db2.gz UFXFXFGHCGOJJS-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001377000302 1378909701 /nfs/dbraw/zinc/90/97/01/1378909701.db2.gz UFXFXFGHCGOJJS-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001377000302 1378909705 /nfs/dbraw/zinc/90/97/05/1378909705.db2.gz UFXFXFGHCGOJJS-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001377002966 1378911336 /nfs/dbraw/zinc/91/13/36/1378911336.db2.gz XUYHAXFMLXKNAA-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001377002966 1378911342 /nfs/dbraw/zinc/91/13/42/1378911342.db2.gz XUYHAXFMLXKNAA-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001377002966 1378911349 /nfs/dbraw/zinc/91/13/49/1378911349.db2.gz XUYHAXFMLXKNAA-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001392509131 1390071687 /nfs/dbraw/zinc/07/16/87/1390071687.db2.gz DQJUTQHGASGIQB-OAHLLOKOSA-N 2 1 339.443 2.173 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001393039526 1390290176 /nfs/dbraw/zinc/29/01/76/1390290176.db2.gz QSFIEPDGSDGCNZ-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCC[NH+]1C ZINC001393612611 1390493384 /nfs/dbraw/zinc/49/33/84/1390493384.db2.gz HRPKGNROENJKOJ-GOSISDBHSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C#N)cc1 ZINC001393881495 1390574529 /nfs/dbraw/zinc/57/45/29/1390574529.db2.gz GMOPIDWUSPLHTP-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001393881495 1390574530 /nfs/dbraw/zinc/57/45/30/1390574530.db2.gz GMOPIDWUSPLHTP-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001393881495 1390574531 /nfs/dbraw/zinc/57/45/31/1390574531.db2.gz GMOPIDWUSPLHTP-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C ZINC001394672816 1390735909 /nfs/dbraw/zinc/73/59/09/1390735909.db2.gz SNDOPLCCIUHBJS-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCCC2CCCC2)CC1 ZINC001753074718 1406666735 /nfs/dbraw/zinc/66/67/35/1406666735.db2.gz RSZRJTWHLXCGOT-UHFFFAOYSA-N 2 1 333.520 2.350 20 30 EEEDMP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccc(C#N)s1 ZINC001399788254 1395523915 /nfs/dbraw/zinc/52/39/15/1395523915.db2.gz LYUPXIBMCCDZMJ-UHFFFAOYSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccc(C#N)s1 ZINC001399788254 1395523920 /nfs/dbraw/zinc/52/39/20/1395523920.db2.gz LYUPXIBMCCDZMJ-UHFFFAOYSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001402409611 1397984368 /nfs/dbraw/zinc/98/43/68/1397984368.db2.gz AKULOTRAPWWIQX-LPHOPBHVSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001755116670 1407127263 /nfs/dbraw/zinc/12/72/63/1407127263.db2.gz SHUZSMZWDHBFBY-PKOBYXMFSA-N 2 1 329.488 2.174 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001755369212 1407371041 /nfs/dbraw/zinc/37/10/41/1407371041.db2.gz WNGWWYNANQCSKM-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001755369212 1407371044 /nfs/dbraw/zinc/37/10/44/1407371044.db2.gz WNGWWYNANQCSKM-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001121628181 1410236931 /nfs/dbraw/zinc/23/69/31/1410236931.db2.gz FHDLTSQTALHBTA-WZXTXQKWSA-N 2 1 349.519 2.079 20 30 EEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001121628181 1410236939 /nfs/dbraw/zinc/23/69/39/1410236939.db2.gz FHDLTSQTALHBTA-WZXTXQKWSA-N 2 1 349.519 2.079 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087828849 782322563 /nfs/dbraw/zinc/32/25/63/782322563.db2.gz XFPSHNUHTGHBFW-XOKHGSTOSA-N 2 1 346.500 2.041 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087828849 782322571 /nfs/dbraw/zinc/32/25/71/782322571.db2.gz XFPSHNUHTGHBFW-XOKHGSTOSA-N 2 1 346.500 2.041 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087828849 782322581 /nfs/dbraw/zinc/32/25/81/782322581.db2.gz XFPSHNUHTGHBFW-XOKHGSTOSA-N 2 1 346.500 2.041 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001104682423 764746312 /nfs/dbraw/zinc/74/63/12/764746312.db2.gz PONOHLPTJBYKMC-HZPDHXFCSA-N 2 1 346.475 2.144 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967820 782664351 /nfs/dbraw/zinc/66/43/51/782664351.db2.gz NMKQVMTWVMRYST-QYZOEREBSA-N 2 1 331.504 2.075 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993005 782735013 /nfs/dbraw/zinc/73/50/13/782735013.db2.gz WBEZHZGYKAHFEO-IKGGRYGDSA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993005 782735020 /nfs/dbraw/zinc/73/50/20/782735020.db2.gz WBEZHZGYKAHFEO-IKGGRYGDSA-N 2 1 328.460 2.117 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527620 770119087 /nfs/dbraw/zinc/11/90/87/770119087.db2.gz RFGICFCMJAREMJ-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\c2ccccc2C#N)CC1 ZINC000919861148 770383344 /nfs/dbraw/zinc/38/33/44/770383344.db2.gz PCAZGCOLPNGTTA-SREVYHEPSA-N 2 1 347.422 2.357 20 30 EEEDMP C=C(Cl)CN1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673576 770867712 /nfs/dbraw/zinc/86/77/12/770867712.db2.gz OJGORQCTXIYONG-MRXNPFEDSA-N 2 1 339.911 2.442 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC000979710261 770921844 /nfs/dbraw/zinc/92/18/44/770921844.db2.gz KDJSKBRYSCCWHT-RCCFBDPRSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088173194 783035233 /nfs/dbraw/zinc/03/52/33/783035233.db2.gz WVQVDYDUWYKYCX-CVEARBPZSA-N 2 1 328.460 2.118 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088173194 783035238 /nfs/dbraw/zinc/03/52/38/783035238.db2.gz WVQVDYDUWYKYCX-CVEARBPZSA-N 2 1 328.460 2.118 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@H](C)C2)CC1 ZINC000948070903 773472812 /nfs/dbraw/zinc/47/28/12/773472812.db2.gz SZWCLPDMZJDFMU-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001089660529 774043688 /nfs/dbraw/zinc/04/36/88/774043688.db2.gz KRMCIHYUVNQRGN-IRXDYDNUSA-N 2 1 342.487 2.076 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC3CCCC3)C2)CC1 ZINC000980477197 774700787 /nfs/dbraw/zinc/70/07/87/774700787.db2.gz CMKVNXYZCUTCBZ-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997618076 790455424 /nfs/dbraw/zinc/45/54/24/790455424.db2.gz KVOBHVWEJMBKNO-RDJZCZTQSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981812894 778258877 /nfs/dbraw/zinc/25/88/77/778258877.db2.gz XOPRFPBYOIPZGL-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981812894 778258886 /nfs/dbraw/zinc/25/88/86/778258886.db2.gz XOPRFPBYOIPZGL-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981812894 778258893 /nfs/dbraw/zinc/25/88/93/778258893.db2.gz XOPRFPBYOIPZGL-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982403885 780015173 /nfs/dbraw/zinc/01/51/73/780015173.db2.gz ZQFBNDZMMZGCGU-RLLQIKCJSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033268872 783285594 /nfs/dbraw/zinc/28/55/94/783285594.db2.gz MGKOVTUJXAJOKQ-MRXNPFEDSA-N 2 1 330.476 2.261 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033268872 783285599 /nfs/dbraw/zinc/28/55/99/783285599.db2.gz MGKOVTUJXAJOKQ-MRXNPFEDSA-N 2 1 330.476 2.261 20 30 EEEDMP C[N@@H+](CCC(=O)NCC[NH2+]Cc1ccc(C#N)s1)C1CCCCC1 ZINC001131815486 783299066 /nfs/dbraw/zinc/29/90/66/783299066.db2.gz FSDOIGUNCKIPQH-UHFFFAOYSA-N 2 1 348.516 2.480 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035192536 784079472 /nfs/dbraw/zinc/07/94/72/784079472.db2.gz LQXCVFBCQKSNJY-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035192536 784079477 /nfs/dbraw/zinc/07/94/77/784079477.db2.gz LQXCVFBCQKSNJY-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035192536 784079482 /nfs/dbraw/zinc/07/94/82/784079482.db2.gz LQXCVFBCQKSNJY-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@H+](CCC)C3)CC2)CC1 ZINC001035255869 784262454 /nfs/dbraw/zinc/26/24/54/784262454.db2.gz AKISYNPFEQQMHH-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1 ZINC000995923492 785823309 /nfs/dbraw/zinc/82/33/09/785823309.db2.gz NVBWJOAGKQRJBJ-ROUUACIJSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1 ZINC000995923492 785823319 /nfs/dbraw/zinc/82/33/19/785823319.db2.gz NVBWJOAGKQRJBJ-ROUUACIJSA-N 2 1 345.531 2.347 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107593756 787805138 /nfs/dbraw/zinc/80/51/38/787805138.db2.gz VHRQDDUDUJMQTB-UYAOXDASSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646871 787997940 /nfs/dbraw/zinc/99/79/40/787997940.db2.gz ZLQXYONJILKBON-SVFBPWRDSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859367 788822465 /nfs/dbraw/zinc/82/24/65/788822465.db2.gz RLYKUGNCBUWPHO-INDMIFKZSA-N 2 1 333.520 2.463 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997133323 789057276 /nfs/dbraw/zinc/05/72/76/789057276.db2.gz XHGWHOGNBBWPBN-WBVHZDCISA-N 2 1 328.460 2.001 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c(OC)c1 ZINC000923346864 789424855 /nfs/dbraw/zinc/42/48/55/789424855.db2.gz WIPCMJVOGYITDA-KSZLIROESA-N 2 1 348.487 2.223 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(OC)c1 ZINC000923376155 789458747 /nfs/dbraw/zinc/45/87/47/789458747.db2.gz UVLONBNRJKWUIZ-BPQIPLTHSA-N 2 1 348.487 2.080 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997286757 789566108 /nfs/dbraw/zinc/56/61/08/789566108.db2.gz JBHHYGXRIWLLFP-CQSZACIVSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000923560735 789771374 /nfs/dbraw/zinc/77/13/74/789771374.db2.gz GHHJFWBEAQWKFH-HXUWFJFHSA-N 2 1 339.483 2.500 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000923560735 789771379 /nfs/dbraw/zinc/77/13/79/789771379.db2.gz GHHJFWBEAQWKFH-HXUWFJFHSA-N 2 1 339.483 2.500 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=C)Cl ZINC001171308265 791854312 /nfs/dbraw/zinc/85/43/12/791854312.db2.gz PZQRRDBHIJXRRF-HOTGVXAUSA-N 2 1 325.884 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=C)Cl ZINC001171308265 791854314 /nfs/dbraw/zinc/85/43/14/791854314.db2.gz PZQRRDBHIJXRRF-HOTGVXAUSA-N 2 1 325.884 2.101 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cc(CN(C)C)on2)CC1 ZINC000998043833 791875244 /nfs/dbraw/zinc/87/52/44/791875244.db2.gz BZKZTVSFJMEFCI-INIZCTEOSA-N 2 1 346.475 2.076 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647514 792046201 /nfs/dbraw/zinc/04/62/01/792046201.db2.gz IYKZIDWELHDNDP-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924462 792996604 /nfs/dbraw/zinc/99/66/04/792996604.db2.gz SYIHQUVJHHVESQ-RCCFBDPRSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925306 792999015 /nfs/dbraw/zinc/99/90/15/792999015.db2.gz RZDBZLSLCOUGHS-GBESFXJTSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992301044 793575487 /nfs/dbraw/zinc/57/54/87/793575487.db2.gz NRCUJEDDNUHPQJ-QWFCFKBJSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001006196524 793812145 /nfs/dbraw/zinc/81/21/45/793812145.db2.gz BEQOZNZBNDGCSM-UHFFFAOYSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992364978 793821566 /nfs/dbraw/zinc/82/15/66/793821566.db2.gz BNSOKQJIANWQNG-AZUAARDMSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854791 794417586 /nfs/dbraw/zinc/41/75/86/794417586.db2.gz XRPUTHILMHFQOY-IEBWSBKVSA-N 2 1 341.499 2.112 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992504040 794433013 /nfs/dbraw/zinc/43/30/13/794433013.db2.gz GAWCYIOWCOLCCO-PZJWPPBQSA-N 2 1 339.483 2.498 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC=C(C)C)CC3)CC1 ZINC000992504081 794433235 /nfs/dbraw/zinc/43/32/35/794433235.db2.gz GBUVPUYQPQMXKV-CTNGQTDRSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCC=C)CC3)CC1 ZINC000992506695 794446549 /nfs/dbraw/zinc/44/65/49/794446549.db2.gz JSQFJMQIJKEWPA-UYAOXDASSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCC=C)CC3)CC1 ZINC000992506676 794447216 /nfs/dbraw/zinc/44/72/16/794447216.db2.gz JSQFJMQIJKEWPA-ICSRJNTNSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC001093224463 794879424 /nfs/dbraw/zinc/87/94/24/794879424.db2.gz XSHOMROQHIWFSX-IEBWSBKVSA-N 2 1 347.547 2.452 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001093369761 795099651 /nfs/dbraw/zinc/09/96/51/795099651.db2.gz GJVKDFKWXXOFJP-QRQLOZEOSA-N 2 1 343.515 2.053 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093369761 795099657 /nfs/dbraw/zinc/09/96/57/795099657.db2.gz GJVKDFKWXXOFJP-QRQLOZEOSA-N 2 1 343.515 2.053 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093369761 795099663 /nfs/dbraw/zinc/09/96/63/795099663.db2.gz GJVKDFKWXXOFJP-QRQLOZEOSA-N 2 1 343.515 2.053 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108006984 795485700 /nfs/dbraw/zinc/48/57/00/795485700.db2.gz JDJVMLCWNGDUGZ-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108006984 795485706 /nfs/dbraw/zinc/48/57/06/795485706.db2.gz JDJVMLCWNGDUGZ-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCC(C)C)C2)CC1 ZINC001036904942 796448339 /nfs/dbraw/zinc/44/83/39/796448339.db2.gz ZWOKXKJSDZOALD-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993617480 796843883 /nfs/dbraw/zinc/84/38/83/796843883.db2.gz CSNPIYMHKHOQLQ-XLIONFOSSA-N 2 1 341.499 2.397 20 30 EEEDMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172989114 797182706 /nfs/dbraw/zinc/18/27/06/797182706.db2.gz NASQQXDMCFMIPI-QZWWFDLISA-N 2 1 348.491 2.162 20 30 EEEDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172989114 797182708 /nfs/dbraw/zinc/18/27/08/797182708.db2.gz NASQQXDMCFMIPI-QZWWFDLISA-N 2 1 348.491 2.162 20 30 EEEDMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172989114 797182712 /nfs/dbraw/zinc/18/27/12/797182712.db2.gz NASQQXDMCFMIPI-QZWWFDLISA-N 2 1 348.491 2.162 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001094999573 797211115 /nfs/dbraw/zinc/21/11/15/797211115.db2.gz IVYBGNNLCSTBFH-JYJNAYRXSA-N 2 1 339.911 2.440 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994001367 797246822 /nfs/dbraw/zinc/24/68/22/797246822.db2.gz CPPLTSLSYGUCFX-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175730644 798208794 /nfs/dbraw/zinc/20/87/94/798208794.db2.gz NULNNPBWKMHJIY-QZTJIDSGSA-N 2 1 339.524 2.328 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469667 798218492 /nfs/dbraw/zinc/21/84/92/798218492.db2.gz HCNPMPMQCHGCHX-SJLPKXTDSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469667 798218494 /nfs/dbraw/zinc/21/84/94/798218494.db2.gz HCNPMPMQCHGCHX-SJLPKXTDSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469667 798218497 /nfs/dbraw/zinc/21/84/97/798218497.db2.gz HCNPMPMQCHGCHX-SJLPKXTDSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469667 798218501 /nfs/dbraw/zinc/21/85/01/798218501.db2.gz HCNPMPMQCHGCHX-SJLPKXTDSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406185 798417119 /nfs/dbraw/zinc/41/71/19/798417119.db2.gz IIRBEHHUSSRNSY-IRXDYDNUSA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406185 798417123 /nfs/dbraw/zinc/41/71/23/798417123.db2.gz IIRBEHHUSSRNSY-IRXDYDNUSA-N 2 1 342.487 2.391 20 30 EEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001176368208 798443285 /nfs/dbraw/zinc/44/32/85/798443285.db2.gz PXYSQCZVNVBPPN-WBVHZDCISA-N 2 1 327.900 2.489 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084849757 798504130 /nfs/dbraw/zinc/50/41/30/798504130.db2.gz SBYLIMBBORUQGP-RTBURBONSA-N 2 1 327.472 2.471 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944554 798567815 /nfs/dbraw/zinc/56/78/15/798567815.db2.gz VRWIBDAPXVAUSM-KURKYZTESA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944554 798567817 /nfs/dbraw/zinc/56/78/17/798567817.db2.gz VRWIBDAPXVAUSM-KURKYZTESA-N 2 1 342.487 2.343 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001108050903 798636266 /nfs/dbraw/zinc/63/62/66/798636266.db2.gz BPZXRAAXDANTJR-LJQANCHMSA-N 2 1 342.443 2.121 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001177394538 798917606 /nfs/dbraw/zinc/91/76/06/798917606.db2.gz IZCSCRLHBJXBTI-HKUYNNGSSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001179539127 799982533 /nfs/dbraw/zinc/98/25/33/799982533.db2.gz PGYAPRULYHARAG-HOCLYGCPSA-N 2 1 332.448 2.039 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001182346479 801129551 /nfs/dbraw/zinc/12/95/51/801129551.db2.gz RJABELBMICVLJI-WSTZPKSXSA-N 2 1 333.520 2.206 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001183040556 801436054 /nfs/dbraw/zinc/43/60/54/801436054.db2.gz SSZSOIVQZVETLW-WOJBJXKFSA-N 2 1 339.483 2.103 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592324 801681198 /nfs/dbraw/zinc/68/11/98/801681198.db2.gz HTYDOTWLIMEQCV-IYWMVGAKSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592324 801681202 /nfs/dbraw/zinc/68/12/02/801681202.db2.gz HTYDOTWLIMEQCV-IYWMVGAKSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592324 801681207 /nfs/dbraw/zinc/68/12/07/801681207.db2.gz HTYDOTWLIMEQCV-IYWMVGAKSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001004600818 802460576 /nfs/dbraw/zinc/46/05/76/802460576.db2.gz MPFCUBLOLPELLE-CTNGQTDRSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001004600818 802460583 /nfs/dbraw/zinc/46/05/83/802460583.db2.gz MPFCUBLOLPELLE-CTNGQTDRSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001004600818 802460587 /nfs/dbraw/zinc/46/05/87/802460587.db2.gz MPFCUBLOLPELLE-CTNGQTDRSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2ccnc2C(C)C)C1 ZINC001108255697 802548290 /nfs/dbraw/zinc/54/82/90/802548290.db2.gz KJSVABPVBPXLGA-IBGZPJMESA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCCN1CCO[C@@](C)(CNC(=O)CCn2ccnc2C(C)C)C1 ZINC001108255697 802548291 /nfs/dbraw/zinc/54/82/91/802548291.db2.gz KJSVABPVBPXLGA-IBGZPJMESA-N 2 1 348.491 2.180 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001033199402 803066674 /nfs/dbraw/zinc/06/66/74/803066674.db2.gz SLBOXOCMHYPYHU-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@H]1CCCCN1C)[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001033199402 803066682 /nfs/dbraw/zinc/06/66/82/803066682.db2.gz SLBOXOCMHYPYHU-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001108280448 803071153 /nfs/dbraw/zinc/07/11/53/803071153.db2.gz QQFXWVYLQORQDA-IBGZPJMESA-N 2 1 348.491 2.145 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001108280448 803071161 /nfs/dbraw/zinc/07/11/61/803071161.db2.gz QQFXWVYLQORQDA-IBGZPJMESA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349472 803336968 /nfs/dbraw/zinc/33/69/68/803336968.db2.gz HDYAZSFSNXRNPK-IEBWSBKVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289943 805251737 /nfs/dbraw/zinc/25/17/37/805251737.db2.gz RXYJSHAXPKZRQN-SQNIBIBYSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001129790830 810990299 /nfs/dbraw/zinc/99/02/99/810990299.db2.gz JRGSAYUNYYUJJE-YOEHRIQHSA-N 2 1 333.863 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001129790830 810990303 /nfs/dbraw/zinc/99/03/03/810990303.db2.gz JRGSAYUNYYUJJE-YOEHRIQHSA-N 2 1 333.863 2.204 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC001436996751 1088735475 /nfs/dbraw/zinc/73/54/75/1088735475.db2.gz KSXCYONLOPMIFJ-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001436996751 1088735488 /nfs/dbraw/zinc/73/54/88/1088735488.db2.gz KSXCYONLOPMIFJ-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001436996751 1088735502 /nfs/dbraw/zinc/73/55/02/1088735502.db2.gz KSXCYONLOPMIFJ-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]Cc1cccc(C#N)c1 ZINC001438527972 1091020619 /nfs/dbraw/zinc/02/06/19/1091020619.db2.gz GOWWJFOPXMAFMA-INIZCTEOSA-N 2 1 344.503 2.378 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438553370 1091045690 /nfs/dbraw/zinc/04/56/90/1091045690.db2.gz QGNIMJWUXVEXFR-APWZRJJASA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001496479447 1101071141 /nfs/dbraw/zinc/07/11/41/1101071141.db2.gz BOQWALLXQJGRGW-BBRMVZONSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001494197446 1103682310 /nfs/dbraw/zinc/68/23/10/1103682310.db2.gz WVISJPCMKDLOEM-GDBMZVCRSA-N 2 1 327.900 2.250 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480713164 1106940198 /nfs/dbraw/zinc/94/01/98/1106940198.db2.gz ZJBLMCQYWFJHET-MOPGFXCFSA-N 2 1 342.487 2.417 20 30 EEEDMP C[N@@H+](CC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1)C1CCC1 ZINC001498770790 1108069043 /nfs/dbraw/zinc/06/90/43/1108069043.db2.gz QZFVXRTWFXKFLZ-IBGZPJMESA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001524380421 1120085244 /nfs/dbraw/zinc/08/52/44/1120085244.db2.gz UOOBHRVBDYEMPV-INIZCTEOSA-N 2 1 346.523 2.194 20 30 EEEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001524380421 1120085251 /nfs/dbraw/zinc/08/52/51/1120085251.db2.gz UOOBHRVBDYEMPV-INIZCTEOSA-N 2 1 346.523 2.194 20 30 EEEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001524380421 1120085257 /nfs/dbraw/zinc/08/52/57/1120085257.db2.gz UOOBHRVBDYEMPV-INIZCTEOSA-N 2 1 346.523 2.194 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602563 781922545 /nfs/dbraw/zinc/92/25/45/781922545.db2.gz URKBBXBOMNIMQG-IPMKNSEASA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602563 781922559 /nfs/dbraw/zinc/92/25/59/781922559.db2.gz URKBBXBOMNIMQG-IPMKNSEASA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087602563 781922567 /nfs/dbraw/zinc/92/25/67/781922567.db2.gz URKBBXBOMNIMQG-IPMKNSEASA-N 2 1 331.504 2.386 20 30 EEEDMP Cn1nccc1[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000328728478 539760133 /nfs/dbraw/zinc/76/01/33/539760133.db2.gz GVTDVIFJQMVTBO-HNNXBMFYSA-N 2 1 345.491 2.183 20 30 EEEDMP Cn1nccc1[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000328728478 539760136 /nfs/dbraw/zinc/76/01/36/539760136.db2.gz GVTDVIFJQMVTBO-HNNXBMFYSA-N 2 1 345.491 2.183 20 30 EEEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000119034807 462869525 /nfs/dbraw/zinc/86/95/25/462869525.db2.gz ANNRIZKPSSMYOT-MRXNPFEDSA-N 2 1 340.475 2.178 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000068444292 463138313 /nfs/dbraw/zinc/13/83/13/463138313.db2.gz PMRUAKBKNUQHDM-FQEVSTJZSA-N 2 1 339.483 2.066 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000068444292 463138315 /nfs/dbraw/zinc/13/83/15/463138315.db2.gz PMRUAKBKNUQHDM-FQEVSTJZSA-N 2 1 339.483 2.066 20 30 EEEDMP C#CCNC(=O)CC[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000491619697 468361218 /nfs/dbraw/zinc/36/12/18/468361218.db2.gz MMODBIUPLDLZQJ-HKUYNNGSSA-N 2 1 327.472 2.016 20 30 EEEDMP CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261978860 463916237 /nfs/dbraw/zinc/91/62/37/463916237.db2.gz OINGBXZBMLNLJA-ZFWWWQNUSA-N 2 1 348.520 2.180 20 30 EEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCOc2ccccc21 ZINC000262777590 464045753 /nfs/dbraw/zinc/04/57/53/464045753.db2.gz KGCIALBMTNHPAF-CRAIPNDOSA-N 2 1 348.516 2.113 20 30 EEEDMP C[NH+]=C(NCc1ccc(C)s1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262792830 464047117 /nfs/dbraw/zinc/04/71/17/464047117.db2.gz OOGSDELRZAWTJV-HNNXBMFYSA-N 2 1 326.535 2.159 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248543124 464762144 /nfs/dbraw/zinc/76/21/44/464762144.db2.gz CJUWRPNLQBTULH-IKGGRYGDSA-N 2 1 334.508 2.237 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248543124 464762148 /nfs/dbraw/zinc/76/21/48/464762148.db2.gz CJUWRPNLQBTULH-IKGGRYGDSA-N 2 1 334.508 2.237 20 30 EEEDMP COc1ccc(NC(=[NH2+])NCCCCn2cc[nH+]c2C)cc1OC ZINC000267457922 464933939 /nfs/dbraw/zinc/93/39/39/464933939.db2.gz UDOIREJSARMRHL-UHFFFAOYSA-N 2 1 331.420 2.416 20 30 EEEDMP C=CCC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000342738045 465345241 /nfs/dbraw/zinc/34/52/41/465345241.db2.gz RYITZYAODJGTCG-UHFFFAOYSA-N 2 1 345.487 2.237 20 30 EEEDMP C=CCC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000342738045 465345247 /nfs/dbraw/zinc/34/52/47/465345247.db2.gz RYITZYAODJGTCG-UHFFFAOYSA-N 2 1 345.487 2.237 20 30 EEEDMP C=CCC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000342738045 465345252 /nfs/dbraw/zinc/34/52/52/465345252.db2.gz RYITZYAODJGTCG-UHFFFAOYSA-N 2 1 345.487 2.237 20 30 EEEDMP C=CCC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000342738045 465345255 /nfs/dbraw/zinc/34/52/55/465345255.db2.gz RYITZYAODJGTCG-UHFFFAOYSA-N 2 1 345.487 2.237 20 30 EEEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555553044 468483506 /nfs/dbraw/zinc/48/35/06/468483506.db2.gz YCOFUCARMCNXTP-HNNXBMFYSA-N 2 1 326.448 2.345 20 30 EEEDMP C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364209613 466689105 /nfs/dbraw/zinc/68/91/05/466689105.db2.gz VXHGRNZCORRCLJ-MRXNPFEDSA-N 2 1 343.471 2.150 20 30 EEEDMP C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364209613 466689109 /nfs/dbraw/zinc/68/91/09/466689109.db2.gz VXHGRNZCORRCLJ-MRXNPFEDSA-N 2 1 343.471 2.150 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CNc2cccc(C)[nH+]2)CC1 ZINC000364253483 466690085 /nfs/dbraw/zinc/69/00/85/466690085.db2.gz WCWHOACCULOGFZ-SFHVURJKSA-N 2 1 340.471 2.138 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365276410 466764626 /nfs/dbraw/zinc/76/46/26/466764626.db2.gz RIHWJHFBOGCXDK-SFHVURJKSA-N 2 1 330.451 2.298 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365276410 466764631 /nfs/dbraw/zinc/76/46/31/466764631.db2.gz RIHWJHFBOGCXDK-SFHVURJKSA-N 2 1 330.451 2.298 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C(C)=O)cc2)CC1 ZINC000577602846 468188119 /nfs/dbraw/zinc/18/81/19/468188119.db2.gz QCQJJZBTOVWBTG-IBGZPJMESA-N 2 1 346.471 2.259 20 30 EEEDMP C[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000600814712 468664842 /nfs/dbraw/zinc/66/48/42/468664842.db2.gz JZFJJLXETADFJP-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000600814712 468664845 /nfs/dbraw/zinc/66/48/45/468664845.db2.gz JZFJJLXETADFJP-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP C[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000600814712 468664848 /nfs/dbraw/zinc/66/48/48/468664848.db2.gz JZFJJLXETADFJP-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP C[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000600814712 468664850 /nfs/dbraw/zinc/66/48/50/468664850.db2.gz JZFJJLXETADFJP-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000609133594 469894710 /nfs/dbraw/zinc/89/47/10/469894710.db2.gz YNYZXAHKCXPFQI-UHFFFAOYSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726000 782138981 /nfs/dbraw/zinc/13/89/81/782138981.db2.gz NTHKSHDGPGLICS-RYQLBKOJSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726000 782138987 /nfs/dbraw/zinc/13/89/87/782138987.db2.gz NTHKSHDGPGLICS-RYQLBKOJSA-N 2 1 330.476 2.299 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087727468 782140657 /nfs/dbraw/zinc/14/06/57/782140657.db2.gz ZFCWURKGKZMBDM-HDMKZQKVSA-N 2 1 325.472 2.354 20 30 EEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087727468 782140663 /nfs/dbraw/zinc/14/06/63/782140663.db2.gz ZFCWURKGKZMBDM-HDMKZQKVSA-N 2 1 325.472 2.354 20 30 EEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087727468 782140667 /nfs/dbraw/zinc/14/06/67/782140667.db2.gz ZFCWURKGKZMBDM-HDMKZQKVSA-N 2 1 325.472 2.354 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001423449555 1187032646 /nfs/dbraw/zinc/03/26/46/1187032646.db2.gz JNLDZPJHBUVFBQ-UONOGXRCSA-N 2 1 346.313 2.206 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000171722375 526432928 /nfs/dbraw/zinc/43/29/28/526432928.db2.gz OQXDEBMFMJLISO-UHFFFAOYSA-N 2 1 348.516 2.056 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000171722375 526432931 /nfs/dbraw/zinc/43/29/31/526432931.db2.gz OQXDEBMFMJLISO-UHFFFAOYSA-N 2 1 348.516 2.056 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707793 676366834 /nfs/dbraw/zinc/36/68/34/676366834.db2.gz YGKZWIJSRMJFNW-RBUKOAKNSA-N 2 1 331.504 2.053 20 30 EEEDMP CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC000972267140 678470826 /nfs/dbraw/zinc/47/08/26/678470826.db2.gz SMCUTHZSEVARAK-RBUKOAKNSA-N 2 1 342.487 2.177 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024648242 681311898 /nfs/dbraw/zinc/31/18/98/681311898.db2.gz ZJMZBQIRTIAQDB-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024648242 681311901 /nfs/dbraw/zinc/31/19/01/681311901.db2.gz ZJMZBQIRTIAQDB-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001028600802 681347465 /nfs/dbraw/zinc/34/74/65/681347465.db2.gz DLUUBWUETPJTKI-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001028600802 681347468 /nfs/dbraw/zinc/34/74/68/681347468.db2.gz DLUUBWUETPJTKI-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001028600802 681347474 /nfs/dbraw/zinc/34/74/74/681347474.db2.gz DLUUBWUETPJTKI-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001028600802 681347478 /nfs/dbraw/zinc/34/74/78/681347478.db2.gz DLUUBWUETPJTKI-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001028600802 681347482 /nfs/dbraw/zinc/34/74/82/681347482.db2.gz DLUUBWUETPJTKI-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028604004 681361842 /nfs/dbraw/zinc/36/18/42/681361842.db2.gz NWQVVXFBRKQLPP-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028604004 681361848 /nfs/dbraw/zinc/36/18/48/681361848.db2.gz NWQVVXFBRKQLPP-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028604004 681361854 /nfs/dbraw/zinc/36/18/54/681361854.db2.gz NWQVVXFBRKQLPP-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028604004 681361858 /nfs/dbraw/zinc/36/18/58/681361858.db2.gz NWQVVXFBRKQLPP-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028604005 681362137 /nfs/dbraw/zinc/36/21/37/681362137.db2.gz NWQVVXFBRKQLPP-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028604005 681362142 /nfs/dbraw/zinc/36/21/42/681362142.db2.gz NWQVVXFBRKQLPP-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028604005 681362146 /nfs/dbraw/zinc/36/21/46/681362146.db2.gz NWQVVXFBRKQLPP-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028604005 681362151 /nfs/dbraw/zinc/36/21/51/681362151.db2.gz NWQVVXFBRKQLPP-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025268444 682360146 /nfs/dbraw/zinc/36/01/46/682360146.db2.gz YXRJAMNPLNAWJI-ZWKOTPCHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025268444 682360149 /nfs/dbraw/zinc/36/01/49/682360149.db2.gz YXRJAMNPLNAWJI-ZWKOTPCHSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296025 682407228 /nfs/dbraw/zinc/40/72/28/682407228.db2.gz RKAAJIIZGNHTRH-ZWKOTPCHSA-N 2 1 328.460 2.060 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296025 682407229 /nfs/dbraw/zinc/40/72/29/682407229.db2.gz RKAAJIIZGNHTRH-ZWKOTPCHSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@@H+]2CCF)CC1 ZINC001025302124 682407786 /nfs/dbraw/zinc/40/77/86/682407786.db2.gz RWCPOWPHBLSHMF-MOPGFXCFSA-N 2 1 349.494 2.147 20 30 EEEDMP C[NH+]=C(NC[C@H]1CCCS1)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000261934272 682412056 /nfs/dbraw/zinc/41/20/56/682412056.db2.gz CCPBHJXNJZKSSH-QGZVFWFLSA-N 2 1 346.544 2.146 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301264 682414402 /nfs/dbraw/zinc/41/44/02/682414402.db2.gz IMXFPTDSVKLDHO-OALUTQOASA-N 2 1 331.504 2.341 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NC2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC001026605057 684781675 /nfs/dbraw/zinc/78/16/75/684781675.db2.gz CQAGXOFJMOBVKK-NFOMZHRRSA-N 2 1 346.500 2.088 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001029918211 688292390 /nfs/dbraw/zinc/29/23/90/688292390.db2.gz ZMJWAHDBECOTOS-UXHICEINSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001029918211 688292397 /nfs/dbraw/zinc/29/23/97/688292397.db2.gz ZMJWAHDBECOTOS-UXHICEINSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001029918211 688292401 /nfs/dbraw/zinc/29/24/01/688292401.db2.gz ZMJWAHDBECOTOS-UXHICEINSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001029918211 688292407 /nfs/dbraw/zinc/29/24/07/688292407.db2.gz ZMJWAHDBECOTOS-UXHICEINSA-N 2 1 339.483 2.207 20 30 EEEDMP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1cnc[nH]1 ZINC000986348848 688521844 /nfs/dbraw/zinc/52/18/44/688521844.db2.gz BNGHWYHUDPRFAV-MLGOLLRUSA-N 2 1 343.456 2.055 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001089873175 1192176079 /nfs/dbraw/zinc/17/60/79/1192176079.db2.gz PCIOZYWVCQNINM-MLHJIOFPSA-N 2 1 342.487 2.361 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001089873175 1192176082 /nfs/dbraw/zinc/17/60/82/1192176082.db2.gz PCIOZYWVCQNINM-MLHJIOFPSA-N 2 1 342.487 2.361 20 30 EEEDMP C=CCCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001105461958 1187526480 /nfs/dbraw/zinc/52/64/80/1187526480.db2.gz CPUHUZCUMIOEDN-QPIRBTGLSA-N 2 1 349.519 2.177 20 30 EEEDMP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001005177148 1194666928 /nfs/dbraw/zinc/66/69/28/1194666928.db2.gz BAFIPOJUPHHYEO-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001005177148 1194666931 /nfs/dbraw/zinc/66/69/31/1194666931.db2.gz BAFIPOJUPHHYEO-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955231 1195556423 /nfs/dbraw/zinc/55/64/23/1195556423.db2.gz WYOUJHZOWXHVAK-HXUWFJFHSA-N 2 1 341.499 2.350 20 30 EEEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005503928 1195738014 /nfs/dbraw/zinc/73/80/14/1195738014.db2.gz LOVHXQYVGOYKDM-IBGZPJMESA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC(C)(C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000794574867 1197937623 /nfs/dbraw/zinc/93/76/23/1197937623.db2.gz OYJILCMOBBLDSA-UHFFFAOYSA-N 2 1 327.472 2.242 20 30 EEEDMP C#CC(C)(C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000794574867 1197937630 /nfs/dbraw/zinc/93/76/30/1197937630.db2.gz OYJILCMOBBLDSA-UHFFFAOYSA-N 2 1 327.472 2.242 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1csc(C(C)(C)C)n1 ZINC000120463797 1198143391 /nfs/dbraw/zinc/14/33/91/1198143391.db2.gz OWMPAHIEOSRAPP-CQSZACIVSA-N 2 1 337.537 2.372 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001132274053 1199522537 /nfs/dbraw/zinc/52/25/37/1199522537.db2.gz NVXRRCCWFFAMMR-VQIMIIECSA-N 2 1 345.462 2.098 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001132274053 1199522538 /nfs/dbraw/zinc/52/25/38/1199522538.db2.gz NVXRRCCWFFAMMR-VQIMIIECSA-N 2 1 345.462 2.098 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406514 1199664934 /nfs/dbraw/zinc/66/49/34/1199664934.db2.gz KIRAZUWGPMIKMO-SJORKVTESA-N 2 1 337.508 2.033 20 30 EEEDMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001134613934 1199690527 /nfs/dbraw/zinc/69/05/27/1199690527.db2.gz YYGYXYQCQFHXHS-CVEARBPZSA-N 2 1 342.487 2.415 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001134758964 1199795318 /nfs/dbraw/zinc/79/53/18/1199795318.db2.gz DBEOACVESSCDNM-IBGZPJMESA-N 2 1 345.462 2.146 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132931743 1200208341 /nfs/dbraw/zinc/20/83/41/1200208341.db2.gz CUYQYMFDGDJZDQ-LSDHHAIUSA-N 2 1 334.464 2.000 20 30 EEEDMP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001133410663 1200880018 /nfs/dbraw/zinc/88/00/18/1200880018.db2.gz UJIXSDACYAQTQL-KRWDZBQOSA-N 2 1 347.890 2.233 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000871187350 1201091826 /nfs/dbraw/zinc/09/18/26/1201091826.db2.gz CZEAGHGCENWQDH-HXUWFJFHSA-N 2 1 339.483 2.031 20 30 EEEDMP C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@@H+](CCCCC#N)C2)C1=O ZINC001274043190 1204344585 /nfs/dbraw/zinc/34/45/85/1204344585.db2.gz MYJRGPNDKVVYNC-HXUWFJFHSA-N 2 1 340.471 2.232 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110858578 1204928500 /nfs/dbraw/zinc/92/85/00/1204928500.db2.gz GQRLQZCMRBYZOV-QRVBRYPASA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110858578 1204928503 /nfs/dbraw/zinc/92/85/03/1204928503.db2.gz GQRLQZCMRBYZOV-QRVBRYPASA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110858578 1204928506 /nfs/dbraw/zinc/92/85/06/1204928506.db2.gz GQRLQZCMRBYZOV-QRVBRYPASA-N 2 1 331.504 2.386 20 30 EEEDMP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)cn3)(C1)CCC2 ZINC001275033809 1205239531 /nfs/dbraw/zinc/23/95/31/1205239531.db2.gz DRDDXVIXSSNNLM-RBUKOAKNSA-N 2 1 327.476 2.039 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cn[nH]c2)CC3)cc1C#N ZINC001275211953 1205281887 /nfs/dbraw/zinc/28/18/87/1205281887.db2.gz KFKQUDRDCUTGRI-UHFFFAOYSA-N 2 1 338.459 2.108 20 30 EEEDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001275290527 1205299713 /nfs/dbraw/zinc/29/97/13/1205299713.db2.gz PYMWIVJOGXUGLT-UHFFFAOYSA-N 2 1 326.488 2.408 20 30 EEEDMP C[NH+](C)CCN1CCC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001275290527 1205299715 /nfs/dbraw/zinc/29/97/15/1205299715.db2.gz PYMWIVJOGXUGLT-UHFFFAOYSA-N 2 1 326.488 2.408 20 30 EEEDMP C#CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001275975207 1205612205 /nfs/dbraw/zinc/61/22/05/1205612205.db2.gz NZJAHOLPAUEPEB-TZIWHRDSSA-N 2 1 343.515 2.199 20 30 EEEDMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000948038958 1208834293 /nfs/dbraw/zinc/83/42/93/1208834293.db2.gz CRAMYVLGSUMCNQ-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCC(C)C)CC1 ZINC000948449726 1209145646 /nfs/dbraw/zinc/14/56/46/1209145646.db2.gz WAHNGDHHZKZPFX-OALUTQOASA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCC(C)C)CC1 ZINC000948449726 1209145648 /nfs/dbraw/zinc/14/56/48/1209145648.db2.gz WAHNGDHHZKZPFX-OALUTQOASA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC(C)C)CC1 ZINC000948449726 1209145650 /nfs/dbraw/zinc/14/56/50/1209145650.db2.gz WAHNGDHHZKZPFX-OALUTQOASA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC(C)C)CC1 ZINC000948449726 1209145651 /nfs/dbraw/zinc/14/56/51/1209145651.db2.gz WAHNGDHHZKZPFX-OALUTQOASA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770716 1209363503 /nfs/dbraw/zinc/36/35/03/1209363503.db2.gz KVJSCLBHWLZANB-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770716 1209363506 /nfs/dbraw/zinc/36/35/06/1209363506.db2.gz KVJSCLBHWLZANB-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957602790 1215247848 /nfs/dbraw/zinc/24/78/48/1215247848.db2.gz FNIYNDMMMVWAKO-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(O)ccc2c1CCCC2 ZINC000304810580 1216107402 /nfs/dbraw/zinc/10/74/02/1216107402.db2.gz WMCJSSTUNFJCRB-HNNXBMFYSA-N 2 1 330.476 2.160 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Cc1ccc(OC)cc1 ZINC000305701461 1216989806 /nfs/dbraw/zinc/98/98/06/1216989806.db2.gz PRBTWUIBFSVIDS-WBVHZDCISA-N 2 1 332.492 2.262 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961202038 1217086456 /nfs/dbraw/zinc/08/64/56/1217086456.db2.gz PGSFFGSJSWWWIZ-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961227292 1217098463 /nfs/dbraw/zinc/09/84/63/1217098463.db2.gz DZGMCQGWBDGYKN-IAGOWNOFSA-N 2 1 343.471 2.149 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969025105 1221749287 /nfs/dbraw/zinc/74/92/87/1221749287.db2.gz KPNAJEUCKSAOMH-HXUWFJFHSA-N 2 1 341.499 2.398 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007492132 1222257935 /nfs/dbraw/zinc/25/79/35/1222257935.db2.gz LMXDOQLGZXVRBT-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001007492132 1222257937 /nfs/dbraw/zinc/25/79/37/1222257937.db2.gz LMXDOQLGZXVRBT-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001007492132 1222257938 /nfs/dbraw/zinc/25/79/38/1222257938.db2.gz LMXDOQLGZXVRBT-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009679019 1223329960 /nfs/dbraw/zinc/32/99/60/1223329960.db2.gz BUQCLYWEOLLGCZ-INIZCTEOSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016661609 1226744698 /nfs/dbraw/zinc/74/46/98/1226744698.db2.gz GXUWWICHKSVVEE-OALUTQOASA-N 2 1 343.515 2.387 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224911 1230456516 /nfs/dbraw/zinc/45/65/16/1230456516.db2.gz KSMMDXBAURBPJL-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228613 1230461437 /nfs/dbraw/zinc/46/14/37/1230461437.db2.gz GLUTZWYYNUEIDS-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039228613 1230461439 /nfs/dbraw/zinc/46/14/39/1230461439.db2.gz GLUTZWYYNUEIDS-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039228613 1230461442 /nfs/dbraw/zinc/46/14/42/1230461442.db2.gz GLUTZWYYNUEIDS-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425584 1230602908 /nfs/dbraw/zinc/60/29/08/1230602908.db2.gz KKFUMBJNBWSVBQ-SJORKVTESA-N 2 1 329.444 2.043 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425584 1230602911 /nfs/dbraw/zinc/60/29/11/1230602911.db2.gz KKFUMBJNBWSVBQ-SJORKVTESA-N 2 1 329.444 2.043 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001039437722 1230610202 /nfs/dbraw/zinc/61/02/02/1230610202.db2.gz VNVUGYOCVJMVJT-KSZLIROESA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001039437722 1230610203 /nfs/dbraw/zinc/61/02/03/1230610203.db2.gz VNVUGYOCVJMVJT-KSZLIROESA-N 2 1 342.487 2.395 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC001040243839 1231129130 /nfs/dbraw/zinc/12/91/30/1231129130.db2.gz CSEUZVXSULOAIT-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC001040243839 1231129131 /nfs/dbraw/zinc/12/91/31/1231129131.db2.gz CSEUZVXSULOAIT-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040243839 1231129136 /nfs/dbraw/zinc/12/91/36/1231129136.db2.gz CSEUZVXSULOAIT-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040243839 1231129137 /nfs/dbraw/zinc/12/91/37/1231129137.db2.gz CSEUZVXSULOAIT-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314017 1231165019 /nfs/dbraw/zinc/16/50/19/1231165019.db2.gz QNDSJTWZZPMHFI-ICSRJNTNSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)CC1 ZINC001040847881 1231387148 /nfs/dbraw/zinc/38/71/48/1231387148.db2.gz BJQYAXLCQSYJQL-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040935604 1231406323 /nfs/dbraw/zinc/40/63/23/1231406323.db2.gz CJMPXDCTCXCFPR-HNNXBMFYSA-N 2 1 325.884 2.005 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724492 1231662937 /nfs/dbraw/zinc/66/29/37/1231662937.db2.gz YZOJTNGNPMOIOD-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041724492 1231662938 /nfs/dbraw/zinc/66/29/38/1231662938.db2.gz YZOJTNGNPMOIOD-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845953 1231728947 /nfs/dbraw/zinc/72/89/47/1231728947.db2.gz TXDDSUBHNXXJSA-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042083007 1231876037 /nfs/dbraw/zinc/87/60/37/1231876037.db2.gz HRNDUWUGYHZSFW-RDJZCZTQSA-N 2 1 345.512 2.369 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042083007 1231876038 /nfs/dbraw/zinc/87/60/38/1231876038.db2.gz HRNDUWUGYHZSFW-RDJZCZTQSA-N 2 1 345.512 2.369 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042217573 1231961352 /nfs/dbraw/zinc/96/13/52/1231961352.db2.gz YXDYEIFLBBROMQ-GDBMZVCRSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042217573 1231961354 /nfs/dbraw/zinc/96/13/54/1231961354.db2.gz YXDYEIFLBBROMQ-GDBMZVCRSA-N 2 1 325.884 2.004 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042366358 1232048810 /nfs/dbraw/zinc/04/88/10/1232048810.db2.gz VFZZJKLBYDENSE-IEBWSBKVSA-N 2 1 327.472 2.471 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045980398 1234271114 /nfs/dbraw/zinc/27/11/14/1234271114.db2.gz XLWQYUBGWXYKDM-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980398 1234271117 /nfs/dbraw/zinc/27/11/17/1234271117.db2.gz XLWQYUBGWXYKDM-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980398 1234271121 /nfs/dbraw/zinc/27/11/21/1234271121.db2.gz XLWQYUBGWXYKDM-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986073 1234281830 /nfs/dbraw/zinc/28/18/30/1234281830.db2.gz GRHNTRXORILWDG-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC(C)C)C3)CC1 ZINC001047208681 1235672367 /nfs/dbraw/zinc/67/23/67/1235672367.db2.gz JSAQHJJTUDLJAC-IHPCNDPISA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047230939 1235707405 /nfs/dbraw/zinc/70/74/05/1235707405.db2.gz ITCSUOQKOQQHPS-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3nccn3C1)C2 ZINC001048541860 1237920576 /nfs/dbraw/zinc/92/05/76/1237920576.db2.gz KFVVQOYWBAFFQE-FJIDUMEYSA-N 2 1 342.487 2.381 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048578054 1238008743 /nfs/dbraw/zinc/00/87/43/1238008743.db2.gz JZMFYLVLZWSAFT-FNLKRUPLSA-N 2 1 345.531 2.489 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049566175 1241441371 /nfs/dbraw/zinc/44/13/71/1241441371.db2.gz GYJZHYPOPLTCCZ-IPMKNSEASA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001146184 1241724844 /nfs/dbraw/zinc/72/48/44/1241724844.db2.gz XLPCNLAAFWETBO-GOSISDBHSA-N 2 1 342.487 2.468 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001146184 1241724853 /nfs/dbraw/zinc/72/48/53/1241724853.db2.gz XLPCNLAAFWETBO-GOSISDBHSA-N 2 1 342.487 2.468 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717434 1241976580 /nfs/dbraw/zinc/97/65/80/1241976580.db2.gz DIBKAGDMCPZVIK-RYQLBKOJSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717434 1241976586 /nfs/dbraw/zinc/97/65/86/1241976586.db2.gz DIBKAGDMCPZVIK-RYQLBKOJSA-N 2 1 328.460 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001049842098 1242382120 /nfs/dbraw/zinc/38/21/20/1242382120.db2.gz UXXPWBZPROKEJF-OWCLPIDISA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049842098 1242382134 /nfs/dbraw/zinc/38/21/34/1242382134.db2.gz UXXPWBZPROKEJF-OWCLPIDISA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049842098 1242382152 /nfs/dbraw/zinc/38/21/52/1242382152.db2.gz UXXPWBZPROKEJF-OWCLPIDISA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049842098 1242382162 /nfs/dbraw/zinc/38/21/62/1242382162.db2.gz UXXPWBZPROKEJF-OWCLPIDISA-N 2 1 325.884 2.146 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050332319 1243365890 /nfs/dbraw/zinc/36/58/90/1243365890.db2.gz BDSYUUJYERFGMI-TZCBXBLLSA-N 2 1 345.531 2.395 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050332319 1243365896 /nfs/dbraw/zinc/36/58/96/1243365896.db2.gz BDSYUUJYERFGMI-TZCBXBLLSA-N 2 1 345.531 2.395 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097695011 1244513152 /nfs/dbraw/zinc/51/31/52/1244513152.db2.gz NPNPGNRRLDAMHI-AKHDSKFASA-N 2 1 329.488 2.138 20 30 EEEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097695011 1244513156 /nfs/dbraw/zinc/51/31/56/1244513156.db2.gz NPNPGNRRLDAMHI-AKHDSKFASA-N 2 1 329.488 2.138 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097695011 1244513161 /nfs/dbraw/zinc/51/31/61/1244513161.db2.gz NPNPGNRRLDAMHI-AKHDSKFASA-N 2 1 329.488 2.138 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097695011 1244513164 /nfs/dbraw/zinc/51/31/64/1244513164.db2.gz NPNPGNRRLDAMHI-AKHDSKFASA-N 2 1 329.488 2.138 20 30 EEEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@H]3CCCC[N@@H+]3C)cccc2C1 ZINC001051292951 1245490383 /nfs/dbraw/zinc/49/03/83/1245490383.db2.gz LSIUPGSXLCIUNR-LJQANCHMSA-N 2 1 327.472 2.331 20 30 EEEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@H]3CCCC[NH+]3C)cccc2C1 ZINC001051292951 1245490385 /nfs/dbraw/zinc/49/03/85/1245490385.db2.gz LSIUPGSXLCIUNR-LJQANCHMSA-N 2 1 327.472 2.331 20 30 EEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCCC[NH+]3C)cccc2C1 ZINC001051292951 1245490388 /nfs/dbraw/zinc/49/03/88/1245490388.db2.gz LSIUPGSXLCIUNR-LJQANCHMSA-N 2 1 327.472 2.331 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051189 1245773311 /nfs/dbraw/zinc/77/33/11/1245773311.db2.gz KSLCYKVSXCZHBA-MOPGFXCFSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053054126 1245783307 /nfs/dbraw/zinc/78/33/07/1245783307.db2.gz IEUPYOBEUBGTIP-UXHICEINSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001101541842 1245944109 /nfs/dbraw/zinc/94/41/09/1245944109.db2.gz XHEAWURRJBRUKH-PKOBYXMFSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042102 1247204726 /nfs/dbraw/zinc/20/47/26/1247204726.db2.gz OFWMDLNALIXQRY-NSISKUIASA-N 2 1 341.499 2.446 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042102 1247204735 /nfs/dbraw/zinc/20/47/35/1247204735.db2.gz OFWMDLNALIXQRY-NSISKUIASA-N 2 1 341.499 2.446 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042102 1247204743 /nfs/dbraw/zinc/20/47/43/1247204743.db2.gz OFWMDLNALIXQRY-NSISKUIASA-N 2 1 341.499 2.446 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054135955 1247490466 /nfs/dbraw/zinc/49/04/66/1247490466.db2.gz NAKMZSYNQFHBDE-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135955 1247490470 /nfs/dbraw/zinc/49/04/70/1247490470.db2.gz NAKMZSYNQFHBDE-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135955 1247490476 /nfs/dbraw/zinc/49/04/76/1247490476.db2.gz NAKMZSYNQFHBDE-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001054185297 1247650689 /nfs/dbraw/zinc/65/06/89/1247650689.db2.gz XREJUFJYKVULMN-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001054185297 1247650699 /nfs/dbraw/zinc/65/06/99/1247650699.db2.gz XREJUFJYKVULMN-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@@H](C)O2 ZINC001071243837 1254088645 /nfs/dbraw/zinc/08/86/45/1254088645.db2.gz MAHWBBBCAJONJP-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071937513 1254828976 /nfs/dbraw/zinc/82/89/76/1254828976.db2.gz CKXGSYROJHOAAG-RDJZCZTQSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071937513 1254828980 /nfs/dbraw/zinc/82/89/80/1254828980.db2.gz CKXGSYROJHOAAG-RDJZCZTQSA-N 2 1 339.443 2.426 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099357 1254930564 /nfs/dbraw/zinc/93/05/64/1254930564.db2.gz PSKZFUOCRJRBTB-SJLPKXTDSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072109147 1254934842 /nfs/dbraw/zinc/93/48/42/1254934842.db2.gz CDICUZWQNHMYKB-CVEARBPZSA-N 2 1 331.460 2.337 20 30 EEEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072109147 1254934850 /nfs/dbraw/zinc/93/48/50/1254934850.db2.gz CDICUZWQNHMYKB-CVEARBPZSA-N 2 1 331.460 2.337 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001072886379 1255459969 /nfs/dbraw/zinc/45/99/69/1255459969.db2.gz QBQYWEOAEOUTLK-MRXNPFEDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886379 1255459974 /nfs/dbraw/zinc/45/99/74/1255459974.db2.gz QBQYWEOAEOUTLK-MRXNPFEDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886379 1255459976 /nfs/dbraw/zinc/45/99/76/1255459976.db2.gz QBQYWEOAEOUTLK-MRXNPFEDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886379 1255459981 /nfs/dbraw/zinc/45/99/81/1255459981.db2.gz QBQYWEOAEOUTLK-MRXNPFEDSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(=C)C)CC1 ZINC001098462765 1257698358 /nfs/dbraw/zinc/69/83/58/1257698358.db2.gz MFQJGSIIXIUUGE-QRVBRYPASA-N 2 1 329.488 2.019 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519450 1258188407 /nfs/dbraw/zinc/18/84/07/1258188407.db2.gz HXPFNUZRZNCCAP-RDGPPVDQSA-N 2 1 333.520 2.463 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CC#Cc3ccccc3)C2)CCC1 ZINC001190644754 1280992150 /nfs/dbraw/zinc/99/21/50/1280992150.db2.gz LRMRNKOXWUHOEL-LJQANCHMSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)C1 ZINC001192163120 1281831531 /nfs/dbraw/zinc/83/15/31/1281831531.db2.gz UILMAKZLPRSTSU-GOSISDBHSA-N 2 1 347.890 2.176 20 30 EEEDMP CC#CC[NH2+][C@H](CNC(=O)CC[N@@H+](C)CCC)c1ccccc1OC ZINC001198969765 1285452252 /nfs/dbraw/zinc/45/22/52/1285452252.db2.gz WDHJSKDSCGYHRQ-GOSISDBHSA-N 2 1 345.487 2.197 20 30 EEEDMP CC#CC[NH2+][C@H](CNC(=O)CC[N@H+](C)CCC)c1ccccc1OC ZINC001198969765 1285452256 /nfs/dbraw/zinc/45/22/56/1285452256.db2.gz WDHJSKDSCGYHRQ-GOSISDBHSA-N 2 1 345.487 2.197 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211177070 1295729661 /nfs/dbraw/zinc/72/96/61/1295729661.db2.gz SPVNEUKKVUGURD-QZTJIDSGSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211177070 1295729673 /nfs/dbraw/zinc/72/96/73/1295729673.db2.gz SPVNEUKKVUGURD-QZTJIDSGSA-N 2 1 339.524 2.258 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC001220984983 1298609979 /nfs/dbraw/zinc/60/99/79/1298609979.db2.gz UFHCGVUQHOWQMJ-MOPGFXCFSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC001220984983 1298609989 /nfs/dbraw/zinc/60/99/89/1298609989.db2.gz UFHCGVUQHOWQMJ-MOPGFXCFSA-N 2 1 348.535 2.284 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001098874226 1298732978 /nfs/dbraw/zinc/73/29/78/1298732978.db2.gz ADWHLVBGFAWCLR-FCEWJHQRSA-N 2 1 328.460 2.307 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001098874226 1298732983 /nfs/dbraw/zinc/73/29/83/1298732983.db2.gz ADWHLVBGFAWCLR-FCEWJHQRSA-N 2 1 328.460 2.307 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCCC)C[C@H]32)CC1 ZINC001222046674 1299302783 /nfs/dbraw/zinc/30/27/83/1299302783.db2.gz PRFJAUOSLXLLLY-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102377318 1300956490 /nfs/dbraw/zinc/95/64/90/1300956490.db2.gz ZGSOGYUNSBRMPZ-IEBWSBKVSA-N 2 1 329.488 2.031 20 30 EEEDMP C=CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102377318 1300956494 /nfs/dbraw/zinc/95/64/94/1300956494.db2.gz ZGSOGYUNSBRMPZ-IEBWSBKVSA-N 2 1 329.488 2.031 20 30 EEEDMP C=CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102377318 1300956499 /nfs/dbraw/zinc/95/64/99/1300956499.db2.gz ZGSOGYUNSBRMPZ-IEBWSBKVSA-N 2 1 329.488 2.031 20 30 EEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC001228066649 1302083712 /nfs/dbraw/zinc/08/37/12/1302083712.db2.gz XSVFKRXMMOARPV-OAHLLOKOSA-N 2 1 330.476 2.370 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103376378 1302861769 /nfs/dbraw/zinc/86/17/69/1302861769.db2.gz XVHMWRHGBWLVLC-HZPDHXFCSA-N 2 1 331.460 2.052 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001229895565 1302978991 /nfs/dbraw/zinc/97/89/91/1302978991.db2.gz MITRBMJKMLLVJO-UHFFFAOYSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001229895565 1302978992 /nfs/dbraw/zinc/97/89/92/1302978992.db2.gz MITRBMJKMLLVJO-UHFFFAOYSA-N 2 1 334.489 2.042 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001115343455 1304973610 /nfs/dbraw/zinc/97/36/10/1304973610.db2.gz ISQYAQVKKGCFEJ-RUYXUALKSA-N 2 1 327.472 2.131 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001115343455 1304973614 /nfs/dbraw/zinc/97/36/14/1304973614.db2.gz ISQYAQVKKGCFEJ-RUYXUALKSA-N 2 1 327.472 2.131 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115343455 1304973618 /nfs/dbraw/zinc/97/36/18/1304973618.db2.gz ISQYAQVKKGCFEJ-RUYXUALKSA-N 2 1 327.472 2.131 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115343455 1304973619 /nfs/dbraw/zinc/97/36/19/1304973619.db2.gz ISQYAQVKKGCFEJ-RUYXUALKSA-N 2 1 327.472 2.131 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571937 1305392798 /nfs/dbraw/zinc/39/27/98/1305392798.db2.gz VXAFSMJDXIBOGG-GOSISDBHSA-N 2 1 333.520 2.396 20 30 EEEDMP CCc1cc(CN2CC3(C2)CC[N@@H+](CCN(C)C)C3)ccc1C#N ZINC001278037241 1305761474 /nfs/dbraw/zinc/76/14/74/1305761474.db2.gz MVHACZZUEGXJHE-UHFFFAOYSA-N 2 1 326.488 2.190 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120448477 1309545202 /nfs/dbraw/zinc/54/52/02/1309545202.db2.gz AQXMCTQTFYWRRS-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448477 1309545206 /nfs/dbraw/zinc/54/52/06/1309545206.db2.gz AQXMCTQTFYWRRS-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448477 1309545209 /nfs/dbraw/zinc/54/52/09/1309545209.db2.gz AQXMCTQTFYWRRS-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@H]4C[C@]5(C(=O)OC)C[NH2+]C[C@@H]5[C@H]4C3)C[C@H](C1)C2 ZINC001246856440 1310450830 /nfs/dbraw/zinc/45/08/30/1310450830.db2.gz DXRQKFSYHRWCOT-MADKRUHZSA-N 2 1 344.499 2.452 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001160492402 1320175833 /nfs/dbraw/zinc/17/58/33/1320175833.db2.gz RHTDQDKRYUPTSI-UHFFFAOYSA-N 2 1 349.519 2.059 20 30 EEEDMP CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240096 1316212562 /nfs/dbraw/zinc/21/25/62/1316212562.db2.gz BOAVSYZRVVVQPI-KRWDZBQOSA-N 2 1 327.513 2.116 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150395678 1316256839 /nfs/dbraw/zinc/25/68/39/1316256839.db2.gz WELAPBKLFQPBAB-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153400338 1316822998 /nfs/dbraw/zinc/82/29/98/1316822998.db2.gz OSGGTKNMHPCSCO-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153400338 1316822999 /nfs/dbraw/zinc/82/29/99/1316822999.db2.gz OSGGTKNMHPCSCO-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153400338 1316823004 /nfs/dbraw/zinc/82/30/04/1316823004.db2.gz OSGGTKNMHPCSCO-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001154272636 1317033521 /nfs/dbraw/zinc/03/35/21/1317033521.db2.gz JBCDSKOCNWJNMN-OAHLLOKOSA-N 2 1 327.432 2.284 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067390 1317441366 /nfs/dbraw/zinc/44/13/66/1317441366.db2.gz YNIJBBCBGXKLSR-UYAOXDASSA-N 2 1 343.515 2.451 20 30 EEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158751020 1319417803 /nfs/dbraw/zinc/41/78/03/1319417803.db2.gz PGLFZHNEZDYDHY-ZWKOTPCHSA-N 2 1 339.524 2.232 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1)C1CCC1 ZINC001159997632 1320045699 /nfs/dbraw/zinc/04/56/99/1320045699.db2.gz VJZFQHUENLWTSK-UHFFFAOYSA-N 2 1 347.890 2.272 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161020673 1320357068 /nfs/dbraw/zinc/35/70/68/1320357068.db2.gz HOAIIBBUVJVMHW-UHFFFAOYSA-N 2 1 329.444 2.117 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947009 1320689790 /nfs/dbraw/zinc/68/97/90/1320689790.db2.gz RLPSWYAEVDDJEP-HXUWFJFHSA-N 2 1 339.483 2.451 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947009 1320689797 /nfs/dbraw/zinc/68/97/97/1320689797.db2.gz RLPSWYAEVDDJEP-HXUWFJFHSA-N 2 1 339.483 2.451 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001162806979 1320963767 /nfs/dbraw/zinc/96/37/67/1320963767.db2.gz PTZZCDRWIWJHLG-FQEVSTJZSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C1CCC1 ZINC001162832248 1320970203 /nfs/dbraw/zinc/97/02/03/1320970203.db2.gz MHAIBEWOXIMHEO-UHFFFAOYSA-N 2 1 341.499 2.155 20 30 EEEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203468260 1321887748 /nfs/dbraw/zinc/88/77/48/1321887748.db2.gz JPGGWAMZLPIDSJ-HZPDHXFCSA-N 2 1 328.460 2.047 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205479662 1323155307 /nfs/dbraw/zinc/15/53/07/1323155307.db2.gz RMXYELSZKPPKPU-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205479662 1323155311 /nfs/dbraw/zinc/15/53/11/1323155311.db2.gz RMXYELSZKPPKPU-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP Cn1cc(CN2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1C#N ZINC001207104919 1323851633 /nfs/dbraw/zinc/85/16/33/1323851633.db2.gz KPCZLWMGVHOUIG-UYAOXDASSA-N 2 1 342.487 2.077 20 30 EEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049871 1324289171 /nfs/dbraw/zinc/28/91/71/1324289171.db2.gz RRVUELFWNIFHJL-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001502144764 1342193741 /nfs/dbraw/zinc/19/37/41/1342193741.db2.gz CDWYLDDCVXYUMW-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001502144764 1342193744 /nfs/dbraw/zinc/19/37/44/1342193744.db2.gz CDWYLDDCVXYUMW-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001502144764 1342193748 /nfs/dbraw/zinc/19/37/48/1342193748.db2.gz CDWYLDDCVXYUMW-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C=CCCCn1c([C@H]2CCC[NH2+]C2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001574916146 1343711468 /nfs/dbraw/zinc/71/14/68/1343711468.db2.gz RYZYYOYUENFICD-SJORKVTESA-N 2 1 346.523 2.242 20 30 EEEDMP COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001579185744 1344349435 /nfs/dbraw/zinc/34/94/35/1344349435.db2.gz MELBTUFROBWCHS-IEZWGBDMSA-N 2 1 329.444 2.285 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)CC[N@H+](C)CCC)CC1 ZINC001389526128 1388171001 /nfs/dbraw/zinc/17/10/01/1388171001.db2.gz IYAGTJJGPCJJDG-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001365952754 1373783423 /nfs/dbraw/zinc/78/34/23/1373783423.db2.gz JWNPWLMVXIRUNQ-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001365952754 1373783426 /nfs/dbraw/zinc/78/34/26/1373783426.db2.gz JWNPWLMVXIRUNQ-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001365952754 1373783430 /nfs/dbraw/zinc/78/34/30/1373783430.db2.gz JWNPWLMVXIRUNQ-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001368432323 1374397369 /nfs/dbraw/zinc/39/73/69/1374397369.db2.gz KZNGCSSAAVNALO-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001368432323 1374397373 /nfs/dbraw/zinc/39/73/73/1374397373.db2.gz KZNGCSSAAVNALO-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001368432323 1374397375 /nfs/dbraw/zinc/39/73/75/1374397375.db2.gz KZNGCSSAAVNALO-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001368432323 1374397379 /nfs/dbraw/zinc/39/73/79/1374397379.db2.gz KZNGCSSAAVNALO-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001375778478 1377997592 /nfs/dbraw/zinc/99/75/92/1377997592.db2.gz PKVOCWRKSCSBHY-UHFFFAOYSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001391337931 1389277220 /nfs/dbraw/zinc/27/72/20/1389277220.db2.gz ZCYNHAUGWCINRP-MRXNPFEDSA-N 2 1 327.900 2.299 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001391635779 1389488615 /nfs/dbraw/zinc/48/86/15/1389488615.db2.gz QEFCGAAZPZXCIR-MOPGFXCFSA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001391635779 1389488617 /nfs/dbraw/zinc/48/86/17/1389488617.db2.gz QEFCGAAZPZXCIR-MOPGFXCFSA-N 2 1 342.487 2.177 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC001391801880 1389613193 /nfs/dbraw/zinc/61/31/93/1389613193.db2.gz OGSJZSUNXVBLES-QUCCMNQESA-N 2 1 340.471 2.027 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(F)c(C#N)c2)CCC1 ZINC001393562630 1390473532 /nfs/dbraw/zinc/47/35/32/1390473532.db2.gz LJHHLPCXZOGUIF-UHFFFAOYSA-N 2 1 346.450 2.168 20 30 EEEDMP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001399939882 1395694176 /nfs/dbraw/zinc/69/41/76/1395694176.db2.gz IVSGDMRKTWYMLD-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001399939882 1395694180 /nfs/dbraw/zinc/69/41/80/1395694180.db2.gz IVSGDMRKTWYMLD-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cc(C#N)ccc1F ZINC001399939882 1395694186 /nfs/dbraw/zinc/69/41/86/1395694186.db2.gz IVSGDMRKTWYMLD-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cc(C#N)ccc1F ZINC001399939882 1395694190 /nfs/dbraw/zinc/69/41/90/1395694190.db2.gz IVSGDMRKTWYMLD-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001402893979 1398262428 /nfs/dbraw/zinc/26/24/28/1398262428.db2.gz ZLXFKAOEYLCPDK-INIZCTEOSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001402893979 1398262432 /nfs/dbraw/zinc/26/24/32/1398262432.db2.gz ZLXFKAOEYLCPDK-INIZCTEOSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001402893979 1398262437 /nfs/dbraw/zinc/26/24/37/1398262437.db2.gz ZLXFKAOEYLCPDK-INIZCTEOSA-N 2 1 327.900 2.251 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC(C)([NH2+]CC#Cc2ccccc2)CC1 ZINC001755135571 1407143031 /nfs/dbraw/zinc/14/30/31/1407143031.db2.gz VFWDXZPMCCSHLC-UHFFFAOYSA-N 2 1 341.499 2.351 20 30 EEEDMP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001755506913 1407554366 /nfs/dbraw/zinc/55/43/66/1407554366.db2.gz MEFYZVHNNDBMPW-AZUAARDMSA-N 2 1 341.499 2.397 20 30 EEEDMP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755521745 1407581332 /nfs/dbraw/zinc/58/13/32/1407581332.db2.gz PIIGJAFUGVFHOJ-QUCCMNQESA-N 2 1 341.499 2.254 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001087777308 782227080 /nfs/dbraw/zinc/22/70/80/782227080.db2.gz VFLINLWEIGQVEZ-ZWKOTPCHSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001087777308 782227084 /nfs/dbraw/zinc/22/70/84/782227084.db2.gz VFLINLWEIGQVEZ-ZWKOTPCHSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104595218 762021005 /nfs/dbraw/zinc/02/10/05/762021005.db2.gz LRWSKXHIGRXCPI-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001167237205 757547255 /nfs/dbraw/zinc/54/72/55/757547255.db2.gz XCDBYRJDTLXWCV-INIZCTEOSA-N 2 1 330.476 2.206 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001203203707 759698346 /nfs/dbraw/zinc/69/83/46/759698346.db2.gz PJYDNPSXZONAOY-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001167626996 760771297 /nfs/dbraw/zinc/77/12/97/760771297.db2.gz IPIZSRDXXHLAQY-LJQANCHMSA-N 2 1 342.487 2.417 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075458510 760846175 /nfs/dbraw/zinc/84/61/75/760846175.db2.gz IHDCIHNKFWPWMJ-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075458510 760846189 /nfs/dbraw/zinc/84/61/89/760846189.db2.gz IHDCIHNKFWPWMJ-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075458510 760846204 /nfs/dbraw/zinc/84/62/04/760846204.db2.gz IHDCIHNKFWPWMJ-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530369 782631774 /nfs/dbraw/zinc/63/17/74/782631774.db2.gz RAXDAZQCTSBAAF-PXNSSMCTSA-N 2 1 341.499 2.254 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC000980083256 773839152 /nfs/dbraw/zinc/83/91/52/773839152.db2.gz HNVDTZDQSBERPU-JYJNAYRXSA-N 2 1 346.475 2.143 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC000980083256 773839156 /nfs/dbraw/zinc/83/91/56/773839156.db2.gz HNVDTZDQSBERPU-JYJNAYRXSA-N 2 1 346.475 2.143 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980143934 773941279 /nfs/dbraw/zinc/94/12/79/773941279.db2.gz OKOOOOIOYKXQNJ-HRCADAONSA-N 2 1 336.867 2.161 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980143934 773941286 /nfs/dbraw/zinc/94/12/86/773941286.db2.gz OKOOOOIOYKXQNJ-HRCADAONSA-N 2 1 336.867 2.161 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001108097551 783141677 /nfs/dbraw/zinc/14/16/77/783141677.db2.gz LWJWEGKJZNROFL-SFHVURJKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001108097551 783141686 /nfs/dbraw/zinc/14/16/86/783141686.db2.gz LWJWEGKJZNROFL-SFHVURJKSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCC=C)C[C@H]3C2)CC1 ZINC000980258521 774204172 /nfs/dbraw/zinc/20/41/72/774204172.db2.gz WJJXBNWMCSUSBI-XUVXKRRUSA-N 2 1 343.515 2.124 20 30 EEEDMP C#CCCC[C@H]([NH3+])c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC001212325599 775778005 /nfs/dbraw/zinc/77/80/05/775778005.db2.gz WUBSQTRDMQZXKW-INIZCTEOSA-N 2 1 339.443 2.292 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981185292 776731570 /nfs/dbraw/zinc/73/15/70/776731570.db2.gz SSZDTSNVXBCHHW-CHWSQXEVSA-N 2 1 340.855 2.119 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000981420720 777358944 /nfs/dbraw/zinc/35/89/44/777358944.db2.gz HRJUUPDSVQEWNV-SJORKVTESA-N 2 1 339.443 2.474 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000981864324 778418670 /nfs/dbraw/zinc/41/86/70/778418670.db2.gz SVZDJVRXHKHXFM-UHFFFAOYSA-N 2 1 346.475 2.240 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000981864324 778418673 /nfs/dbraw/zinc/41/86/73/778418673.db2.gz SVZDJVRXHKHXFM-UHFFFAOYSA-N 2 1 346.475 2.240 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711860 779473690 /nfs/dbraw/zinc/47/36/90/779473690.db2.gz XDQSBUTVJQTQFQ-RBUKOAKNSA-N 2 1 329.488 2.489 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982403657 780013697 /nfs/dbraw/zinc/01/36/97/780013697.db2.gz XWMUNJXUWMRIPM-SESVDKBCSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327835 783520858 /nfs/dbraw/zinc/52/08/58/783520858.db2.gz XZUQTQJXRIMWMF-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNc1nc2ccccc2s1 ZINC000170906280 791135350 /nfs/dbraw/zinc/13/53/50/791135350.db2.gz FPKODACWCCFYAP-ZDUSSCGKSA-N 2 1 346.504 2.097 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC000996209614 786155975 /nfs/dbraw/zinc/15/59/75/786155975.db2.gz VLMRTAFILNANIX-RDJZCZTQSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107646611 787996330 /nfs/dbraw/zinc/99/63/30/787996330.db2.gz MTXRJNCYFQIKHP-SFHLNBCPSA-N 2 1 345.531 2.491 20 30 EEEDMP CCCC[NH+]=C(NC[C@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000912496990 788206241 /nfs/dbraw/zinc/20/62/41/788206241.db2.gz JWAORJGMUDEPGV-INIZCTEOSA-N 2 1 325.545 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946856622 788780656 /nfs/dbraw/zinc/78/06/56/788780656.db2.gz KOJACMZLLNHSDJ-ZACQAIPSSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856622 788780665 /nfs/dbraw/zinc/78/06/65/788780665.db2.gz KOJACMZLLNHSDJ-ZACQAIPSSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856622 788780674 /nfs/dbraw/zinc/78/06/74/788780674.db2.gz KOJACMZLLNHSDJ-ZACQAIPSSA-N 2 1 339.911 2.251 20 30 EEEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001091246225 790195927 /nfs/dbraw/zinc/19/59/27/790195927.db2.gz GEVCNAMCZIXAFB-AWRGBYNESA-N 2 1 327.472 2.002 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998021765 791845757 /nfs/dbraw/zinc/84/57/57/791845757.db2.gz HMSKTHLKSFMNDL-MOPGFXCFSA-N 2 1 333.520 2.301 20 30 EEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001099098947 792121671 /nfs/dbraw/zinc/12/16/71/792121671.db2.gz ZJRUGHLFOQYYSI-CVEARBPZSA-N 2 1 327.488 2.459 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998189152 792173609 /nfs/dbraw/zinc/17/36/09/792173609.db2.gz LXOKDTHPDCADMO-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998189152 792173614 /nfs/dbraw/zinc/17/36/14/792173614.db2.gz LXOKDTHPDCADMO-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998189152 792173618 /nfs/dbraw/zinc/17/36/18/792173618.db2.gz LXOKDTHPDCADMO-CVEARBPZSA-N 2 1 327.900 2.394 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171330046 792352652 /nfs/dbraw/zinc/35/26/52/792352652.db2.gz RCGCRQXTRKQCEA-ZWKOTPCHSA-N 2 1 339.524 2.328 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952443 793086385 /nfs/dbraw/zinc/08/63/85/793086385.db2.gz IRKQFXAOVMJXNU-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804524 793275532 /nfs/dbraw/zinc/27/55/32/793275532.db2.gz JSLOMDJHUBCJEE-UTKZUKDTSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804524 793275537 /nfs/dbraw/zinc/27/55/37/793275537.db2.gz JSLOMDJHUBCJEE-UTKZUKDTSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804524 793275542 /nfs/dbraw/zinc/27/55/42/793275542.db2.gz JSLOMDJHUBCJEE-UTKZUKDTSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943878 793448852 /nfs/dbraw/zinc/44/88/52/793448852.db2.gz HXBSLUQAWOOGNK-GGPKGHCWSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943878 793448856 /nfs/dbraw/zinc/44/88/56/793448856.db2.gz HXBSLUQAWOOGNK-GGPKGHCWSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943878 793448859 /nfs/dbraw/zinc/44/88/59/793448859.db2.gz HXBSLUQAWOOGNK-GGPKGHCWSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010715 793504336 /nfs/dbraw/zinc/50/43/36/793504336.db2.gz KAEHCYMGRJCEEC-UXLLHSPISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010715 793504337 /nfs/dbraw/zinc/50/43/37/793504337.db2.gz KAEHCYMGRJCEEC-UXLLHSPISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010715 793504340 /nfs/dbraw/zinc/50/43/40/793504340.db2.gz KAEHCYMGRJCEEC-UXLLHSPISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010715 793504343 /nfs/dbraw/zinc/50/43/43/793504343.db2.gz KAEHCYMGRJCEEC-UXLLHSPISA-N 2 1 325.884 2.004 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@H]12 ZINC000992352759 793775439 /nfs/dbraw/zinc/77/54/39/793775439.db2.gz PLFKITNSUWWCHF-ICSRJNTNSA-N 2 1 349.438 2.017 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@H]12 ZINC000992352759 793775444 /nfs/dbraw/zinc/77/54/44/793775444.db2.gz PLFKITNSUWWCHF-ICSRJNTNSA-N 2 1 349.438 2.017 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000999350016 794343360 /nfs/dbraw/zinc/34/33/60/794343360.db2.gz VUBKQZHWCIKOJD-HZPDHXFCSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092919605 794437632 /nfs/dbraw/zinc/43/76/32/794437632.db2.gz UEFILXHLKSBFHZ-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092919605 794437640 /nfs/dbraw/zinc/43/76/40/794437640.db2.gz UEFILXHLKSBFHZ-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000999508376 794560913 /nfs/dbraw/zinc/56/09/13/794560913.db2.gz HMNTTWOVTRDQFL-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093085188 794594899 /nfs/dbraw/zinc/59/48/99/794594899.db2.gz SIQHWWFTWALJHV-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093085188 794594901 /nfs/dbraw/zinc/59/49/01/794594901.db2.gz SIQHWWFTWALJHV-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108006986 795485663 /nfs/dbraw/zinc/48/56/63/795485663.db2.gz JDJVMLCWNGDUGZ-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108006986 795485672 /nfs/dbraw/zinc/48/56/72/795485672.db2.gz JDJVMLCWNGDUGZ-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001112382036 796047221 /nfs/dbraw/zinc/04/72/21/796047221.db2.gz BBPXFXYATOSWAN-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666746 796073620 /nfs/dbraw/zinc/07/36/20/796073620.db2.gz SLHRGGWIEIYDIB-MDZRGWNJSA-N 2 1 339.499 2.459 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCC3CC3)C2)CC1 ZINC001036901957 796438945 /nfs/dbraw/zinc/43/89/45/796438945.db2.gz BILSPAHDJSIFLR-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993577217 796805950 /nfs/dbraw/zinc/80/59/50/796805950.db2.gz PUZWRFHMODJRNB-HOCLYGCPSA-N 2 1 325.416 2.036 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976914 797178369 /nfs/dbraw/zinc/17/83/69/797178369.db2.gz XBNMAXGLQDFRDA-OAGGEKHMSA-N 2 1 336.480 2.352 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295886 798052011 /nfs/dbraw/zinc/05/20/11/798052011.db2.gz KEQLUXXZDNEKHB-QGZVFWFLSA-N 2 1 341.540 2.432 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001032827221 798455217 /nfs/dbraw/zinc/45/52/17/798455217.db2.gz MYASNDRBOFMJQM-MNEFBYGVSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@H](C)c2cccc(F)c2)C1 ZINC001032827221 798455219 /nfs/dbraw/zinc/45/52/19/798455219.db2.gz MYASNDRBOFMJQM-MNEFBYGVSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941038 798566250 /nfs/dbraw/zinc/56/62/50/798566250.db2.gz LMZIZXMBWXPKQM-HBFSDRIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941038 798566253 /nfs/dbraw/zinc/56/62/53/798566253.db2.gz LMZIZXMBWXPKQM-HBFSDRIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941038 798566254 /nfs/dbraw/zinc/56/62/54/798566254.db2.gz LMZIZXMBWXPKQM-HBFSDRIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941620 798568887 /nfs/dbraw/zinc/56/88/87/798568887.db2.gz TZHYZIKOVUEXSL-QRVBRYPASA-N 2 1 331.504 2.217 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001177056561 798719959 /nfs/dbraw/zinc/71/99/59/798719959.db2.gz XDZDRYSEBZAWDP-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001177056561 798719962 /nfs/dbraw/zinc/71/99/62/798719962.db2.gz XDZDRYSEBZAWDP-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001177348885 798901382 /nfs/dbraw/zinc/90/13/82/798901382.db2.gz PUKJEBIMWNDESG-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001178634244 799556627 /nfs/dbraw/zinc/55/66/27/799556627.db2.gz QALFLUBQDOBKOR-GOSISDBHSA-N 2 1 339.524 2.330 20 30 EEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001179371068 799903823 /nfs/dbraw/zinc/90/38/23/799903823.db2.gz IWICYADJYRVOKC-INIZCTEOSA-N 2 1 345.915 2.114 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001085275930 800310994 /nfs/dbraw/zinc/31/09/94/800310994.db2.gz HHLZXIRLGQALSM-HZPDHXFCSA-N 2 1 330.476 2.355 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001182814431 801359679 /nfs/dbraw/zinc/35/96/79/801359679.db2.gz VJPWVPDKOIDGEW-QWFCFKBJSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001184700862 802135252 /nfs/dbraw/zinc/13/52/52/802135252.db2.gz HBWCUIOSSQOFMZ-CVEARBPZSA-N 2 1 348.491 2.390 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001184702137 802137330 /nfs/dbraw/zinc/13/73/30/802137330.db2.gz UGXKCDUUZBBZBK-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001100071558 802822147 /nfs/dbraw/zinc/82/21/47/802822147.db2.gz GAYUPFBVOKRZKY-ROUUACIJSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](O)C1 ZINC001100071559 802822337 /nfs/dbraw/zinc/82/23/37/802822337.db2.gz GAYUPFBVOKRZKY-ZWKOTPCHSA-N 2 1 339.524 2.016 20 30 EEEDMP CCOC(=O)[C@@H](C#N)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001170373001 809928139 /nfs/dbraw/zinc/92/81/39/809928139.db2.gz DPTATJTYTOPLKK-GOEBONIOSA-N 2 1 341.415 2.218 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000807493148 812246374 /nfs/dbraw/zinc/24/63/74/812246374.db2.gz HAKRZUKLXAOYGO-YTQUADARSA-N 2 1 327.472 2.200 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000807493148 812246382 /nfs/dbraw/zinc/24/63/82/812246382.db2.gz HAKRZUKLXAOYGO-YTQUADARSA-N 2 1 327.472 2.200 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001439675477 1092615805 /nfs/dbraw/zinc/61/58/05/1092615805.db2.gz HWXQOCYXBGTTHA-SFHVURJKSA-N 2 1 340.471 2.171 20 30 EEEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001496078577 1102021544 /nfs/dbraw/zinc/02/15/44/1102021544.db2.gz IISNRPLEMMZDOS-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP CN(CCC#N)C(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000131741311 529870499 /nfs/dbraw/zinc/87/04/99/529870499.db2.gz BGWNSKSWSASJQK-LJQANCHMSA-N 2 1 342.487 2.202 20 30 EEEDMP CN(CCC#N)C(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000131741311 529870500 /nfs/dbraw/zinc/87/05/00/529870500.db2.gz BGWNSKSWSASJQK-LJQANCHMSA-N 2 1 342.487 2.202 20 30 EEEDMP CN(CCC#N)C(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000131741311 529870501 /nfs/dbraw/zinc/87/05/01/529870501.db2.gz BGWNSKSWSASJQK-LJQANCHMSA-N 2 1 342.487 2.202 20 30 EEEDMP C#CCOc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000265001140 533191118 /nfs/dbraw/zinc/19/11/18/533191118.db2.gz ZQNJKHXSTAFVRX-UHFFFAOYSA-N 2 1 329.488 2.062 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000086959031 276095754 /nfs/dbraw/zinc/09/57/54/276095754.db2.gz JGSDHWCEGOZCKW-NXOAAHMSSA-N 2 1 336.524 2.229 20 30 EEEDMP CC[NH+]=C(NC[C@@](C)(O)c1ccco1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000086763964 462580569 /nfs/dbraw/zinc/58/05/69/462580569.db2.gz SVQNUICPNLNZMX-IHBAFOEMSA-N 2 1 348.491 2.058 20 30 EEEDMP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1ccnc1 ZINC000156571877 463042068 /nfs/dbraw/zinc/04/20/68/463042068.db2.gz SFTIXMOALBRDOH-LZQZEXGQSA-N 2 1 349.438 2.443 20 30 EEEDMP C[C@@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1ccnc1 ZINC000156571877 463042073 /nfs/dbraw/zinc/04/20/73/463042073.db2.gz SFTIXMOALBRDOH-LZQZEXGQSA-N 2 1 349.438 2.443 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)C(C)C ZINC000159730949 463301011 /nfs/dbraw/zinc/30/10/11/463301011.db2.gz KHTHSPLAANKUGV-HNNXBMFYSA-N 2 1 341.463 2.355 20 30 EEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261803809 463866701 /nfs/dbraw/zinc/86/67/01/463866701.db2.gz SAUHLQPFXHCOFG-ZBFHGGJFSA-N 2 1 349.910 2.035 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185764468 463874996 /nfs/dbraw/zinc/87/49/96/463874996.db2.gz CJUWRPNLQBTULH-BRWVUGGUSA-N 2 1 334.508 2.237 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185764468 463875001 /nfs/dbraw/zinc/87/50/01/463875001.db2.gz CJUWRPNLQBTULH-BRWVUGGUSA-N 2 1 334.508 2.237 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185764468 463875006 /nfs/dbraw/zinc/87/50/06/463875006.db2.gz CJUWRPNLQBTULH-BRWVUGGUSA-N 2 1 334.508 2.237 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000264135488 464287055 /nfs/dbraw/zinc/28/70/55/464287055.db2.gz ZPVWDGDQKPACAG-CABCVRRESA-N 2 1 348.491 2.229 20 30 EEEDMP CN1CC[N@@H+](CCCNC(=[NH2+])NC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000264136735 464287084 /nfs/dbraw/zinc/28/70/84/464287084.db2.gz ZWWSYEDFGFRSEN-KRWDZBQOSA-N 2 1 331.508 2.068 20 30 EEEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])NC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000264136735 464287088 /nfs/dbraw/zinc/28/70/88/464287088.db2.gz ZWWSYEDFGFRSEN-KRWDZBQOSA-N 2 1 331.508 2.068 20 30 EEEDMP C[N@H+]1CCN(CCCNC(=[NH2+])NC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000264136735 464287092 /nfs/dbraw/zinc/28/70/92/464287092.db2.gz ZWWSYEDFGFRSEN-KRWDZBQOSA-N 2 1 331.508 2.068 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1OC ZINC000268073154 464949762 /nfs/dbraw/zinc/94/97/62/464949762.db2.gz LIYANDFTMNTNOO-MRXNPFEDSA-N 2 1 348.491 2.086 20 30 EEEDMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353423121 465871923 /nfs/dbraw/zinc/87/19/23/465871923.db2.gz DFUANQRMFNCGQC-FQEVSTJZSA-N 2 1 326.488 2.409 20 30 EEEDMP C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000346183825 465970092 /nfs/dbraw/zinc/97/00/92/465970092.db2.gz WHNTWCBTAWSRBC-KRWDZBQOSA-N 2 1 342.487 2.127 20 30 EEEDMP C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000346183825 465970099 /nfs/dbraw/zinc/97/00/99/465970099.db2.gz WHNTWCBTAWSRBC-KRWDZBQOSA-N 2 1 342.487 2.127 20 30 EEEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000366863964 465980657 /nfs/dbraw/zinc/98/06/57/465980657.db2.gz IQFXKJQUIMZTOD-UHFFFAOYSA-N 2 1 332.492 2.137 20 30 EEEDMP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000424138058 466987387 /nfs/dbraw/zinc/98/73/87/466987387.db2.gz SZXAZIHDXMQNBU-QZTJIDSGSA-N 2 1 328.460 2.131 20 30 EEEDMP C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424179631 466998742 /nfs/dbraw/zinc/99/87/42/466998742.db2.gz ZEFLYLVZGLQEOA-JQHSSLGASA-N 2 1 328.460 2.034 20 30 EEEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H](O)CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000528399564 467681987 /nfs/dbraw/zinc/68/19/87/467681987.db2.gz WROQSAKYXMMWDL-ZIFCJYIRSA-N 2 1 349.519 2.252 20 30 EEEDMP N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000592523323 468720130 /nfs/dbraw/zinc/72/01/30/468720130.db2.gz KURZSEHCXCIZAK-LJQANCHMSA-N 2 1 329.444 2.012 20 30 EEEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000559290183 468736513 /nfs/dbraw/zinc/73/65/13/468736513.db2.gz LMDJJVHKHCJYHM-IYBDPMFKSA-N 2 1 328.460 2.274 20 30 EEEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000559290183 468736520 /nfs/dbraw/zinc/73/65/20/468736520.db2.gz LMDJJVHKHCJYHM-IYBDPMFKSA-N 2 1 328.460 2.274 20 30 EEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634712791 470284568 /nfs/dbraw/zinc/28/45/68/470284568.db2.gz LWUURNOHVCUTIH-HSALFYBXSA-N 2 1 330.472 2.194 20 30 EEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712791 470284570 /nfs/dbraw/zinc/28/45/70/470284570.db2.gz LWUURNOHVCUTIH-HSALFYBXSA-N 2 1 330.472 2.194 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682108 470611342 /nfs/dbraw/zinc/61/13/42/470611342.db2.gz KYCLYQJBLYSIPG-QGZVFWFLSA-N 2 1 328.460 2.183 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000730096073 576713809 /nfs/dbraw/zinc/71/38/09/576713809.db2.gz LAYSPSZPQUXBPR-OALUTQOASA-N 2 1 327.472 2.066 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000730096073 576713810 /nfs/dbraw/zinc/71/38/10/576713810.db2.gz LAYSPSZPQUXBPR-OALUTQOASA-N 2 1 327.472 2.066 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000764585509 577739400 /nfs/dbraw/zinc/73/94/00/577739400.db2.gz IRDJLUYIMLGIFQ-IBGZPJMESA-N 2 1 329.488 2.475 20 30 EEEDMP C#C[C@@H]1CCCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000890656053 675248398 /nfs/dbraw/zinc/24/83/98/675248398.db2.gz TWPWAGDMEGALHI-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159698 675763941 /nfs/dbraw/zinc/76/39/41/675763941.db2.gz WHUDMAZIXHXRFW-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159698 675763943 /nfs/dbraw/zinc/76/39/43/675763943.db2.gz WHUDMAZIXHXRFW-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159698 675763945 /nfs/dbraw/zinc/76/39/45/675763945.db2.gz WHUDMAZIXHXRFW-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371451 679277651 /nfs/dbraw/zinc/27/76/51/679277651.db2.gz ZZHBKFYCXLGAKZ-RTBURBONSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023371451 679277652 /nfs/dbraw/zinc/27/76/52/679277652.db2.gz ZZHBKFYCXLGAKZ-RTBURBONSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023371451 679277653 /nfs/dbraw/zinc/27/76/53/679277653.db2.gz ZZHBKFYCXLGAKZ-RTBURBONSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411819 679295981 /nfs/dbraw/zinc/29/59/81/679295981.db2.gz JQXMNGFIYXXLDG-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001023411819 679295982 /nfs/dbraw/zinc/29/59/82/679295982.db2.gz JQXMNGFIYXXLDG-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001023411819 679295983 /nfs/dbraw/zinc/29/59/83/679295983.db2.gz JQXMNGFIYXXLDG-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC001024365991 679883382 /nfs/dbraw/zinc/88/33/82/679883382.db2.gz LSJXKQOZMRMZQM-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001024365991 679883383 /nfs/dbraw/zinc/88/33/83/679883383.db2.gz LSJXKQOZMRMZQM-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001024365991 679883384 /nfs/dbraw/zinc/88/33/84/679883384.db2.gz LSJXKQOZMRMZQM-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001024365991 679883385 /nfs/dbraw/zinc/88/33/85/679883385.db2.gz LSJXKQOZMRMZQM-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@]2(C)C1 ZINC000982726287 682111919 /nfs/dbraw/zinc/11/19/19/682111919.db2.gz UDVNUZULNRSVAQ-SESVDKBCSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@]2(C)C1 ZINC000982726287 682111921 /nfs/dbraw/zinc/11/19/21/682111921.db2.gz UDVNUZULNRSVAQ-SESVDKBCSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@]2(C)C1 ZINC000982726287 682111923 /nfs/dbraw/zinc/11/19/23/682111923.db2.gz UDVNUZULNRSVAQ-SESVDKBCSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001025627629 683153446 /nfs/dbraw/zinc/15/34/46/683153446.db2.gz AJQBPNDPGFWFEA-YLJYHZDGSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033536 686084457 /nfs/dbraw/zinc/08/44/57/686084457.db2.gz DNRQEQPHDSBNCM-KDOFPFPSSA-N 2 1 325.472 2.212 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033536 686084460 /nfs/dbraw/zinc/08/44/60/686084460.db2.gz DNRQEQPHDSBNCM-KDOFPFPSSA-N 2 1 325.472 2.212 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033536 686084464 /nfs/dbraw/zinc/08/44/64/686084464.db2.gz DNRQEQPHDSBNCM-KDOFPFPSSA-N 2 1 325.472 2.212 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975067300 686094400 /nfs/dbraw/zinc/09/44/00/686094400.db2.gz XEIKNKWSVZLQEK-IBGZPJMESA-N 2 1 341.499 2.254 20 30 EEEDMP C[NH+]=C(NCCc1ccc(Cl)s1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262793605 688478966 /nfs/dbraw/zinc/47/89/66/688478966.db2.gz NSDSMQMTKOJELI-NSHDSACASA-N 2 1 326.897 2.346 20 30 EEEDMP C[NH+]=C(NCCc1ccc(Cl)s1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262793605 688478970 /nfs/dbraw/zinc/47/89/70/688478970.db2.gz NSDSMQMTKOJELI-NSHDSACASA-N 2 1 326.897 2.346 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027446572 692112614 /nfs/dbraw/zinc/11/26/14/692112614.db2.gz NXYNQGJYYNJQRY-ROUUACIJSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027446572 692112618 /nfs/dbraw/zinc/11/26/18/692112618.db2.gz NXYNQGJYYNJQRY-ROUUACIJSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027446572 692112621 /nfs/dbraw/zinc/11/26/21/692112621.db2.gz NXYNQGJYYNJQRY-ROUUACIJSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027446572 692112624 /nfs/dbraw/zinc/11/26/24/692112624.db2.gz NXYNQGJYYNJQRY-ROUUACIJSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027446888 692113264 /nfs/dbraw/zinc/11/32/64/692113264.db2.gz WOEBIYPCVOEHRG-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027446888 692113268 /nfs/dbraw/zinc/11/32/68/692113268.db2.gz WOEBIYPCVOEHRG-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027446888 692113270 /nfs/dbraw/zinc/11/32/70/692113270.db2.gz WOEBIYPCVOEHRG-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027446888 692113275 /nfs/dbraw/zinc/11/32/75/692113275.db2.gz WOEBIYPCVOEHRG-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943770888 1192554304 /nfs/dbraw/zinc/55/43/04/1192554304.db2.gz BMKBSBAWPAHWGN-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943770888 1192554308 /nfs/dbraw/zinc/55/43/08/1192554308.db2.gz BMKBSBAWPAHWGN-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC000995554349 1193145686 /nfs/dbraw/zinc/14/56/86/1193145686.db2.gz WPOAEPISFQDVSF-HOTGVXAUSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876637 1186754456 /nfs/dbraw/zinc/75/44/56/1186754456.db2.gz UMXNSQSTPSIWPH-IPMKNSEASA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876637 1186754459 /nfs/dbraw/zinc/75/44/59/1186754459.db2.gz UMXNSQSTPSIWPH-IPMKNSEASA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876637 1186754464 /nfs/dbraw/zinc/75/44/64/1186754464.db2.gz UMXNSQSTPSIWPH-IPMKNSEASA-N 2 1 333.520 2.463 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001482693563 1187660485 /nfs/dbraw/zinc/66/04/85/1187660485.db2.gz LDIFICZKAXLTDO-MOPGFXCFSA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@H+]1C ZINC001409835942 1190666883 /nfs/dbraw/zinc/66/68/83/1190666883.db2.gz VZJIFIWUEBTXMR-UONOGXRCSA-N 2 1 346.313 2.254 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001484069278 1191195347 /nfs/dbraw/zinc/19/53/47/1191195347.db2.gz YGJYBFDGCOQXHG-HXUWFJFHSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001484069278 1191195349 /nfs/dbraw/zinc/19/53/49/1191195349.db2.gz YGJYBFDGCOQXHG-HXUWFJFHSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001484069278 1191195351 /nfs/dbraw/zinc/19/53/51/1191195351.db2.gz YGJYBFDGCOQXHG-HXUWFJFHSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001486219740 1193757656 /nfs/dbraw/zinc/75/76/56/1193757656.db2.gz VHTMJOVZLNQBNQ-LSDHHAIUSA-N 2 1 348.516 2.336 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001005498451 1195659787 /nfs/dbraw/zinc/65/97/87/1195659787.db2.gz TYVNTCXKKUUJSC-LJQANCHMSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132203042 1199447746 /nfs/dbraw/zinc/44/77/46/1199447746.db2.gz NHUIVLZZWGDTQO-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877009499 1199843475 /nfs/dbraw/zinc/84/34/75/1199843475.db2.gz ONNCUJAPTZIIDC-UHFFFAOYSA-N 2 1 329.488 2.388 20 30 EEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000877031730 1199849409 /nfs/dbraw/zinc/84/94/09/1199849409.db2.gz UPQWWCWZLVHCII-WMZOPIPTSA-N 2 1 335.492 2.318 20 30 EEEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000826014073 1200228335 /nfs/dbraw/zinc/22/83/35/1200228335.db2.gz UXYKSNWQBJJSLB-IBGZPJMESA-N 2 1 331.504 2.387 20 30 EEEDMP N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)C1=O ZINC001274266675 1204980292 /nfs/dbraw/zinc/98/02/92/1204980292.db2.gz ATOKKHDUOBBZLZ-IBGZPJMESA-N 2 1 337.427 2.434 20 30 EEEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)s1 ZINC001274746082 1205151496 /nfs/dbraw/zinc/15/14/96/1205151496.db2.gz KFJIKGYPHNOJDK-SFHVURJKSA-N 2 1 346.500 2.138 20 30 EEEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)s1 ZINC001274746082 1205151497 /nfs/dbraw/zinc/15/14/97/1205151497.db2.gz KFJIKGYPHNOJDK-SFHVURJKSA-N 2 1 346.500 2.138 20 30 EEEDMP N#Cc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001275027720 1205236011 /nfs/dbraw/zinc/23/60/11/1205236011.db2.gz NGSQOCBJOKJOAU-UHFFFAOYSA-N 2 1 336.443 2.164 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001275949613 1205599347 /nfs/dbraw/zinc/59/93/47/1205599347.db2.gz IOFTVOQVZPVAAK-HDICACEKSA-N 2 1 337.471 2.250 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC#Cc1ccccc1 ZINC000948039478 1208834461 /nfs/dbraw/zinc/83/44/61/1208834461.db2.gz HMPXZDDDNBDQHK-QUCCMNQESA-N 2 1 339.483 2.103 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000948056525 1208845923 /nfs/dbraw/zinc/84/59/23/1208845923.db2.gz KQBSPUDKNRODCU-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948065099 1208851146 /nfs/dbraw/zinc/85/11/46/1208851146.db2.gz HGQYPQMFUKQDGZ-FUHWJXTLSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2c3ccccc3CC[N@@H+]2CC)CC1 ZINC000948987254 1209491348 /nfs/dbraw/zinc/49/13/48/1209491348.db2.gz VQLVYZMOKOFKES-HXUWFJFHSA-N 2 1 339.483 2.067 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303875516 1213917722 /nfs/dbraw/zinc/91/77/22/1213917722.db2.gz DLWJGSXVGYEELK-OKZBNKHCSA-N 3 1 337.556 2.133 20 30 EEEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000303881102 1213920138 /nfs/dbraw/zinc/92/01/38/1213920138.db2.gz HKFPKVUENBXZOT-JKSUJKDBSA-N 2 1 332.492 2.358 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957605737 1215250445 /nfs/dbraw/zinc/25/04/45/1215250445.db2.gz LIGUCMXEQTZASC-UHFFFAOYSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000959869291 1216187154 /nfs/dbraw/zinc/18/71/54/1216187154.db2.gz GGEOYQYYPIZRPT-FICVDOATSA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000959869291 1216187158 /nfs/dbraw/zinc/18/71/58/1216187158.db2.gz GGEOYQYYPIZRPT-FICVDOATSA-N 2 1 325.884 2.050 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960269970 1216461469 /nfs/dbraw/zinc/46/14/69/1216461469.db2.gz BOGITGKIEIRYKJ-YFVAEKQCSA-N 2 1 339.483 2.254 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000960274911 1216464956 /nfs/dbraw/zinc/46/49/56/1216464956.db2.gz GBQOKKMZIYYEDA-GUDVDZBRSA-N 2 1 327.472 2.419 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(=C)C ZINC000960278017 1216467305 /nfs/dbraw/zinc/46/73/05/1216467305.db2.gz LBONDCIMYPQJKP-HSALFYBXSA-N 2 1 337.467 2.032 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(=C)C ZINC000960278017 1216467309 /nfs/dbraw/zinc/46/73/09/1216467309.db2.gz LBONDCIMYPQJKP-HSALFYBXSA-N 2 1 337.467 2.032 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328371 1217523600 /nfs/dbraw/zinc/52/36/00/1217523600.db2.gz OFLMBJSYNKITAT-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963357821 1217552139 /nfs/dbraw/zinc/55/21/39/1217552139.db2.gz AGKNTCVXSBPHFO-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963357821 1217552144 /nfs/dbraw/zinc/55/21/44/1217552144.db2.gz AGKNTCVXSBPHFO-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963357821 1217552147 /nfs/dbraw/zinc/55/21/47/1217552147.db2.gz AGKNTCVXSBPHFO-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384295 1217580901 /nfs/dbraw/zinc/58/09/01/1217580901.db2.gz SSEDBMYZBYUWGF-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386789 1217584492 /nfs/dbraw/zinc/58/44/92/1217584492.db2.gz RDKHHEZLCDRWRC-JKSUJKDBSA-N 2 1 328.460 2.024 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386789 1217584495 /nfs/dbraw/zinc/58/44/95/1217584495.db2.gz RDKHHEZLCDRWRC-JKSUJKDBSA-N 2 1 328.460 2.024 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000967499834 1220569404 /nfs/dbraw/zinc/56/94/04/1220569404.db2.gz REYUUNPOKORPQL-VQIMIIECSA-N 2 1 336.439 2.336 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681630 1221487623 /nfs/dbraw/zinc/48/76/23/1221487623.db2.gz KVCRTFIBEQBCBL-APWZRJJASA-N 2 1 327.472 2.212 20 30 EEEDMP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC000968915764 1221666672 /nfs/dbraw/zinc/66/66/72/1221666672.db2.gz PVSZKFHYOWNITP-MSOLQXFVSA-N 2 1 349.438 2.023 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016633706 1226708654 /nfs/dbraw/zinc/70/86/54/1226708654.db2.gz XHTQBWTYFZMDLP-KFWWJZLASA-N 2 1 325.884 2.050 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016788538 1226878696 /nfs/dbraw/zinc/87/86/96/1226878696.db2.gz ZRAVCLJKKTUUKI-RTBURBONSA-N 2 1 343.515 2.387 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016860995 1226928272 /nfs/dbraw/zinc/92/82/72/1226928272.db2.gz MDZJNILNUDTGFA-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001018984766 1228606938 /nfs/dbraw/zinc/60/69/38/1228606938.db2.gz DFPIQQYYUVSEBJ-MNEFBYGVSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001018984766 1228606941 /nfs/dbraw/zinc/60/69/41/1228606941.db2.gz DFPIQQYYUVSEBJ-MNEFBYGVSA-N 2 1 343.446 2.175 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039144905 1230362921 /nfs/dbraw/zinc/36/29/21/1230362921.db2.gz PGJPBESTNGKNEB-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039144905 1230362925 /nfs/dbraw/zinc/36/29/25/1230362925.db2.gz PGJPBESTNGKNEB-GOSISDBHSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001039298306 1230515141 /nfs/dbraw/zinc/51/51/41/1230515141.db2.gz UWECDCJCYKRAOU-KRXYWNSISA-N 2 1 349.494 2.334 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039397268 1230580333 /nfs/dbraw/zinc/58/03/33/1230580333.db2.gz BFMUQDSAIXMCOP-AEFFLSMTSA-N 2 1 336.439 2.345 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001040354721 1231184274 /nfs/dbraw/zinc/18/42/74/1231184274.db2.gz SIZGVHWNZKNSEV-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001040354721 1231184278 /nfs/dbraw/zinc/18/42/78/1231184278.db2.gz SIZGVHWNZKNSEV-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040490844 1231259155 /nfs/dbraw/zinc/25/91/55/1231259155.db2.gz CTLRUUXKJFUOHY-SJLPKXTDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040490844 1231259157 /nfs/dbraw/zinc/25/91/57/1231259157.db2.gz CTLRUUXKJFUOHY-SJLPKXTDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040490844 1231259159 /nfs/dbraw/zinc/25/91/59/1231259159.db2.gz CTLRUUXKJFUOHY-SJLPKXTDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040490844 1231259161 /nfs/dbraw/zinc/25/91/61/1231259161.db2.gz CTLRUUXKJFUOHY-SJLPKXTDSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CC1 ZINC001040745288 1231355831 /nfs/dbraw/zinc/35/58/31/1231355831.db2.gz KWXKIXWJTXPQIN-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044744256 1233229182 /nfs/dbraw/zinc/22/91/82/1233229182.db2.gz OBPYXCOULOCWJI-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001045092998 1233497104 /nfs/dbraw/zinc/49/71/04/1233497104.db2.gz JSBJCAHNQYRLRK-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001096020877 1233688704 /nfs/dbraw/zinc/68/87/04/1233688704.db2.gz TWRXREFHXQDSJI-HFTRVMKXSA-N 2 1 344.459 2.182 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001096020877 1233688707 /nfs/dbraw/zinc/68/87/07/1233688707.db2.gz TWRXREFHXQDSJI-HFTRVMKXSA-N 2 1 344.459 2.182 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001045385386 1233710894 /nfs/dbraw/zinc/71/08/94/1233710894.db2.gz MTWJOUVMUYAWQK-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000900418942 1234336680 /nfs/dbraw/zinc/33/66/80/1234336680.db2.gz RHYIBHGBZHNMDY-GOSISDBHSA-N 2 1 342.487 2.321 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319200 1234663916 /nfs/dbraw/zinc/66/39/16/1234663916.db2.gz PZDCJLPLIBSXBR-FXAWDEMLSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319200 1234663918 /nfs/dbraw/zinc/66/39/18/1234663918.db2.gz PZDCJLPLIBSXBR-FXAWDEMLSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319200 1234663920 /nfs/dbraw/zinc/66/39/20/1234663920.db2.gz PZDCJLPLIBSXBR-FXAWDEMLSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047244546 1235736242 /nfs/dbraw/zinc/73/62/42/1235736242.db2.gz SISYYHSBGUWVAX-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047256484 1235759696 /nfs/dbraw/zinc/75/96/96/1235759696.db2.gz KWISASCQRAJFIR-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001048538135 1237908481 /nfs/dbraw/zinc/90/84/81/1237908481.db2.gz KBVHMCGOLFOGMR-UJWQCDCRSA-N 2 1 349.519 2.031 20 30 EEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001048538135 1237908484 /nfs/dbraw/zinc/90/84/84/1237908484.db2.gz KBVHMCGOLFOGMR-UJWQCDCRSA-N 2 1 349.519 2.031 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048538135 1237908491 /nfs/dbraw/zinc/90/84/91/1237908491.db2.gz KBVHMCGOLFOGMR-UJWQCDCRSA-N 2 1 349.519 2.031 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048538135 1237908496 /nfs/dbraw/zinc/90/84/96/1237908496.db2.gz KBVHMCGOLFOGMR-UJWQCDCRSA-N 2 1 349.519 2.031 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC001000185305 1240039041 /nfs/dbraw/zinc/03/90/41/1240039041.db2.gz NSYCBHFNIDOAMO-RTBURBONSA-N 2 1 343.515 2.387 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049165789 1240164088 /nfs/dbraw/zinc/16/40/88/1240164088.db2.gz CRBGFGBRCQUURL-LVCYWYKZSA-N 2 1 341.499 2.430 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049175190 1240183115 /nfs/dbraw/zinc/18/31/15/1240183115.db2.gz OLPREWHNMUHCCW-IYBDPMFKSA-N 2 1 328.460 2.118 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049175190 1240183121 /nfs/dbraw/zinc/18/31/21/1240183121.db2.gz OLPREWHNMUHCCW-IYBDPMFKSA-N 2 1 328.460 2.118 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049483678 1241091877 /nfs/dbraw/zinc/09/18/77/1241091877.db2.gz CGKNVXYWUHMHEY-BRWVUGGUSA-N 2 1 328.460 2.095 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049483678 1241091885 /nfs/dbraw/zinc/09/18/85/1241091885.db2.gz CGKNVXYWUHMHEY-BRWVUGGUSA-N 2 1 328.460 2.095 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001090386 1241621711 /nfs/dbraw/zinc/62/17/11/1241621711.db2.gz UXMTWZHRJBQIDV-KRWDZBQOSA-N 2 1 328.460 2.078 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001090386 1241621728 /nfs/dbraw/zinc/62/17/28/1241621728.db2.gz UXMTWZHRJBQIDV-KRWDZBQOSA-N 2 1 328.460 2.078 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001049663809 1241812866 /nfs/dbraw/zinc/81/28/66/1241812866.db2.gz ODJPXUXNCWCCTQ-VAMGGRTRSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001049663809 1241812872 /nfs/dbraw/zinc/81/28/72/1241812872.db2.gz ODJPXUXNCWCCTQ-VAMGGRTRSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001049663809 1241812876 /nfs/dbraw/zinc/81/28/76/1241812876.db2.gz ODJPXUXNCWCCTQ-VAMGGRTRSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001001404076 1242206938 /nfs/dbraw/zinc/20/69/38/1242206938.db2.gz FBNRHLNTBSOOTA-IBGZPJMESA-N 2 1 345.531 2.493 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837258 1242368553 /nfs/dbraw/zinc/36/85/53/1242368553.db2.gz ANXWYKWKHBCUSW-MOPGFXCFSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049914118 1242681901 /nfs/dbraw/zinc/68/19/01/1242681901.db2.gz MUJKLAAANFMPHE-AQNXPRMDSA-N 2 1 339.483 2.378 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049914118 1242681912 /nfs/dbraw/zinc/68/19/12/1242681912.db2.gz MUJKLAAANFMPHE-AQNXPRMDSA-N 2 1 339.483 2.378 20 30 EEEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)cccc2C1 ZINC001051300560 1245499962 /nfs/dbraw/zinc/49/99/62/1245499962.db2.gz XFXNGTCKNUIGKA-BEFAXECRSA-N 2 1 327.472 2.045 20 30 EEEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cccc2C1 ZINC001051300560 1245499968 /nfs/dbraw/zinc/49/99/68/1245499968.db2.gz XFXNGTCKNUIGKA-BEFAXECRSA-N 2 1 327.472 2.045 20 30 EEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cccc2C1 ZINC001051300560 1245499969 /nfs/dbraw/zinc/49/99/69/1245499969.db2.gz XFXNGTCKNUIGKA-BEFAXECRSA-N 2 1 327.472 2.045 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027115 1245704480 /nfs/dbraw/zinc/70/44/80/1245704480.db2.gz AFHNEQRVUZWQEM-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053043778 1245754911 /nfs/dbraw/zinc/75/49/11/1245754911.db2.gz ZGSBOUCCVHXMSD-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053043778 1245754917 /nfs/dbraw/zinc/75/49/17/1245754917.db2.gz ZGSBOUCCVHXMSD-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053043778 1245754924 /nfs/dbraw/zinc/75/49/24/1245754924.db2.gz ZGSBOUCCVHXMSD-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096416 1245893001 /nfs/dbraw/zinc/89/30/01/1245893001.db2.gz SXHKQGGSTQFBEC-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001101582212 1245990121 /nfs/dbraw/zinc/99/01/21/1245990121.db2.gz DMOQUMNHGGUFQR-UHFFFAOYSA-N 2 1 344.503 2.459 20 30 EEEDMP C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)O2 ZINC001053673680 1246626034 /nfs/dbraw/zinc/62/60/34/1246626034.db2.gz FGYKDRUHRVDSCL-MSOLQXFVSA-N 2 1 349.519 2.175 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145846 1247518410 /nfs/dbraw/zinc/51/84/10/1247518410.db2.gz YTIBVWJCESZKGA-XLIONFOSSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145846 1247518418 /nfs/dbraw/zinc/51/84/18/1247518418.db2.gz YTIBVWJCESZKGA-XLIONFOSSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145511 1247519489 /nfs/dbraw/zinc/51/94/89/1247519489.db2.gz QWZQJWXDZYMWDZ-YLJYHZDGSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145511 1247519506 /nfs/dbraw/zinc/51/95/06/1247519506.db2.gz QWZQJWXDZYMWDZ-YLJYHZDGSA-N 2 1 340.471 2.098 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154165 1247543465 /nfs/dbraw/zinc/54/34/65/1247543465.db2.gz QIKBIERIXCCTQX-WBVHZDCISA-N 2 1 327.900 2.394 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171473 1247598238 /nfs/dbraw/zinc/59/82/38/1247598238.db2.gz RFWAWZWYKVJGQW-TZIWHRDSSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001054198228 1247690511 /nfs/dbraw/zinc/69/05/11/1247690511.db2.gz SOBQVCBLZKHOJZ-UXHICEINSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001054198228 1247690518 /nfs/dbraw/zinc/69/05/18/1247690518.db2.gz SOBQVCBLZKHOJZ-UXHICEINSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001054198228 1247690526 /nfs/dbraw/zinc/69/05/26/1247690526.db2.gz SOBQVCBLZKHOJZ-UXHICEINSA-N 2 1 349.494 2.147 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC001193571803 1282568239 /nfs/dbraw/zinc/56/82/39/1282568239.db2.gz WPDMVZHZZMDZHV-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC001193571803 1282568249 /nfs/dbraw/zinc/56/82/49/1282568249.db2.gz WPDMVZHZZMDZHV-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196163235 1283929609 /nfs/dbraw/zinc/92/96/09/1283929609.db2.gz JTLGLOPFKZCCIL-LJQANCHMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196163235 1283929612 /nfs/dbraw/zinc/92/96/12/1283929612.db2.gz JTLGLOPFKZCCIL-LJQANCHMSA-N 2 1 349.519 2.130 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392901 1284956361 /nfs/dbraw/zinc/95/63/61/1284956361.db2.gz YEEKLUPQBSNGHQ-CZUORRHYSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152392901 1284956364 /nfs/dbraw/zinc/95/63/64/1284956364.db2.gz YEEKLUPQBSNGHQ-CZUORRHYSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152392901 1284956369 /nfs/dbraw/zinc/95/63/69/1284956369.db2.gz YEEKLUPQBSNGHQ-CZUORRHYSA-N 2 1 334.489 2.041 20 30 EEEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060177 1289893928 /nfs/dbraw/zinc/89/39/28/1289893928.db2.gz TYMOERPUAWEXOR-ZWKOTPCHSA-N 2 1 339.524 2.116 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC001202154482 1289933107 /nfs/dbraw/zinc/93/31/07/1289933107.db2.gz NLFFGZCDZUDRRD-OALUTQOASA-N 2 1 345.487 2.073 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857039347 1293705177 /nfs/dbraw/zinc/70/51/77/1293705177.db2.gz CMXQJNSRCJQOSA-HXUWFJFHSA-N 2 1 339.483 2.277 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857039347 1293705183 /nfs/dbraw/zinc/70/51/83/1293705183.db2.gz CMXQJNSRCJQOSA-HXUWFJFHSA-N 2 1 339.483 2.277 20 30 EEEDMP CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110748864 1294147407 /nfs/dbraw/zinc/14/74/07/1294147407.db2.gz WFAIDMOZZFUAMV-KURKYZTESA-N 2 1 331.504 2.384 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748864 1294147414 /nfs/dbraw/zinc/14/74/14/1294147414.db2.gz WFAIDMOZZFUAMV-KURKYZTESA-N 2 1 331.504 2.384 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748864 1294147419 /nfs/dbraw/zinc/14/74/19/1294147419.db2.gz WFAIDMOZZFUAMV-KURKYZTESA-N 2 1 331.504 2.384 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110748864 1294147425 /nfs/dbraw/zinc/14/74/25/1294147425.db2.gz WFAIDMOZZFUAMV-KURKYZTESA-N 2 1 331.504 2.384 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110748864 1294147432 /nfs/dbraw/zinc/14/74/32/1294147432.db2.gz WFAIDMOZZFUAMV-KURKYZTESA-N 2 1 331.504 2.384 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@H]1C ZINC001071828405 1294906847 /nfs/dbraw/zinc/90/68/47/1294906847.db2.gz NZNOMLUSFNYZIB-HZPDHXFCSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@H]1C ZINC001071828405 1294906848 /nfs/dbraw/zinc/90/68/48/1294906848.db2.gz NZNOMLUSFNYZIB-HZPDHXFCSA-N 2 1 346.475 2.429 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636458 1296540103 /nfs/dbraw/zinc/54/01/03/1296540103.db2.gz KJSFYMZXOZIDQX-ZIFCJYIRSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001073603394 1297299082 /nfs/dbraw/zinc/29/90/82/1297299082.db2.gz FPOSDKPHAVECAQ-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001073603394 1297299088 /nfs/dbraw/zinc/29/90/88/1297299088.db2.gz FPOSDKPHAVECAQ-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001073603394 1297299100 /nfs/dbraw/zinc/29/91/00/1297299100.db2.gz FPOSDKPHAVECAQ-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340388 1299055457 /nfs/dbraw/zinc/05/54/57/1299055457.db2.gz STFKECSVDCYILK-QGZVFWFLSA-N 2 1 348.491 2.001 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340388 1299055473 /nfs/dbraw/zinc/05/54/73/1299055473.db2.gz STFKECSVDCYILK-QGZVFWFLSA-N 2 1 348.491 2.001 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@@H](C)CCC=C)C[C@H]32)CC1 ZINC001222044125 1299299626 /nfs/dbraw/zinc/29/96/26/1299299626.db2.gz PQPBCBDCLOTTMX-DFQSSKMNSA-N 2 1 343.515 2.219 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001225088255 1300884812 /nfs/dbraw/zinc/88/48/12/1300884812.db2.gz YVZYLSJVKJJLCB-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP C[NH+](C)C1(C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)CCC1 ZINC001227807249 1301972573 /nfs/dbraw/zinc/97/25/73/1301972573.db2.gz PGLAYWNOLXVVIR-UHFFFAOYSA-N 2 1 339.483 2.103 20 30 EEEDMP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001228055290 1302078237 /nfs/dbraw/zinc/07/82/37/1302078237.db2.gz ZBYDUVZPZMHFLE-UHFFFAOYSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001228055290 1302078251 /nfs/dbraw/zinc/07/82/51/1302078251.db2.gz ZBYDUVZPZMHFLE-UHFFFAOYSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004684 1304149917 /nfs/dbraw/zinc/14/99/17/1304149917.db2.gz LFAOKTMLOBNWFL-ICSRJNTNSA-N 2 1 349.519 2.036 20 30 EEEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177524 1305177754 /nfs/dbraw/zinc/17/77/54/1305177754.db2.gz TWLOSVNGQPIENA-WMZOPIPTSA-N 2 1 334.508 2.237 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768554 1305752856 /nfs/dbraw/zinc/75/28/56/1305752856.db2.gz BTRJUPGLAJMGBG-ZWKOTPCHSA-N 2 1 331.504 2.435 20 30 EEEDMP C=CCC[C@H](O)C[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246011911 1310210316 /nfs/dbraw/zinc/21/03/16/1310210316.db2.gz LJVVCIARSUPRSR-ZWKOTPCHSA-N 2 1 334.460 2.144 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC001246305449 1310276920 /nfs/dbraw/zinc/27/69/20/1310276920.db2.gz RZFHHLPZBSBBFZ-IBGZPJMESA-N 2 1 345.487 2.472 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731530 1316356186 /nfs/dbraw/zinc/35/61/86/1316356186.db2.gz MBTRJUGHCGNWJC-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CCOC)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001151387293 1316517948 /nfs/dbraw/zinc/51/79/48/1316517948.db2.gz HDSJKGKEIOVFAO-UHFFFAOYSA-N 2 1 345.915 2.068 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CCOC)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001151387293 1316517954 /nfs/dbraw/zinc/51/79/54/1316517954.db2.gz HDSJKGKEIOVFAO-UHFFFAOYSA-N 2 1 345.915 2.068 20 30 EEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153400339 1316822721 /nfs/dbraw/zinc/82/27/21/1316822721.db2.gz OSGGTKNMHPCSCO-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153400339 1316822724 /nfs/dbraw/zinc/82/27/24/1316822724.db2.gz OSGGTKNMHPCSCO-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153400339 1316822726 /nfs/dbraw/zinc/82/27/26/1316822726.db2.gz OSGGTKNMHPCSCO-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001155394905 1317578970 /nfs/dbraw/zinc/57/89/70/1317578970.db2.gz ZHIGFQUIYUOVSM-RLLQIKCJSA-N 2 1 341.499 2.182 20 30 EEEDMP C=CCOC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252486090 1317614174 /nfs/dbraw/zinc/61/41/74/1317614174.db2.gz SOWMUSAACNHMPQ-YRPNKDGESA-N 2 1 330.472 2.335 20 30 EEEDMP C=CCOC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001252495161 1317617029 /nfs/dbraw/zinc/61/70/29/1317617029.db2.gz KJNHLFWTXRHREB-RBUKOAKNSA-N 2 1 332.488 2.440 20 30 EEEDMP C=CCOC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001252495161 1317617033 /nfs/dbraw/zinc/61/70/33/1317617033.db2.gz KJNHLFWTXRHREB-RBUKOAKNSA-N 2 1 332.488 2.440 20 30 EEEDMP C=CCC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001252594969 1317640923 /nfs/dbraw/zinc/64/09/23/1317640923.db2.gz CURMWZXRMWWWEM-WMZOPIPTSA-N 2 1 338.492 2.053 20 30 EEEDMP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001252594969 1317640930 /nfs/dbraw/zinc/64/09/30/1317640930.db2.gz CURMWZXRMWWWEM-WMZOPIPTSA-N 2 1 338.492 2.053 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC001158038140 1318980959 /nfs/dbraw/zinc/98/09/59/1318980959.db2.gz NHJWHECLTRWIAN-OALUTQOASA-N 2 1 340.471 2.029 20 30 EEEDMP C=C(C[NH+]1CCCCC1)c1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258102068 1319171232 /nfs/dbraw/zinc/17/12/32/1319171232.db2.gz OMVLGYREPLAWEX-IYBDPMFKSA-N 2 1 334.464 2.220 20 30 EEEDMP C=C(C[NH+]1CCCCC1)c1nnc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258102068 1319171243 /nfs/dbraw/zinc/17/12/43/1319171243.db2.gz OMVLGYREPLAWEX-IYBDPMFKSA-N 2 1 334.464 2.220 20 30 EEEDMP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001158571318 1319314216 /nfs/dbraw/zinc/31/42/16/1319314216.db2.gz CIENHTDPUWXFJV-SJLPKXTDSA-N 2 1 348.491 2.104 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567643 1320201150 /nfs/dbraw/zinc/20/11/50/1320201150.db2.gz HYZJNWPZGHKPJX-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567643 1320201154 /nfs/dbraw/zinc/20/11/54/1320201154.db2.gz HYZJNWPZGHKPJX-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567643 1320201157 /nfs/dbraw/zinc/20/11/57/1320201157.db2.gz HYZJNWPZGHKPJX-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161207527 1320419458 /nfs/dbraw/zinc/41/94/58/1320419458.db2.gz VICFPJKBTQLOLD-CZUORRHYSA-N 2 1 325.884 2.075 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161207527 1320419461 /nfs/dbraw/zinc/41/94/61/1320419461.db2.gz VICFPJKBTQLOLD-CZUORRHYSA-N 2 1 325.884 2.075 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207527 1320419464 /nfs/dbraw/zinc/41/94/64/1320419464.db2.gz VICFPJKBTQLOLD-CZUORRHYSA-N 2 1 325.884 2.075 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207527 1320419466 /nfs/dbraw/zinc/41/94/66/1320419466.db2.gz VICFPJKBTQLOLD-CZUORRHYSA-N 2 1 325.884 2.075 20 30 EEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879879 1320659960 /nfs/dbraw/zinc/65/99/60/1320659960.db2.gz XYAJNUZCBMVRLH-SFHVURJKSA-N 2 1 349.519 2.059 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CC(=C)Cl)CC2)CC1 ZINC001161946827 1320687892 /nfs/dbraw/zinc/68/78/92/1320687892.db2.gz GUVQJDFRLQCSLA-UHFFFAOYSA-N 2 1 349.906 2.223 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CC(=C)Cl)CC2)CC1 ZINC001161946827 1320687897 /nfs/dbraw/zinc/68/78/97/1320687897.db2.gz GUVQJDFRLQCSLA-UHFFFAOYSA-N 2 1 349.906 2.223 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)(COC)CC1 ZINC001162320139 1320820220 /nfs/dbraw/zinc/82/02/20/1320820220.db2.gz HWRRYDTVBYPOII-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC001164574200 1321422061 /nfs/dbraw/zinc/42/20/61/1321422061.db2.gz BCUGHAAPIYQGJK-GJZGRUSLSA-N 2 1 346.450 2.024 20 30 EEEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001203797230 1321963094 /nfs/dbraw/zinc/96/30/94/1321963094.db2.gz ATEXFWPKWQLCSE-GOSISDBHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203797230 1321963097 /nfs/dbraw/zinc/96/30/97/1321963097.db2.gz ATEXFWPKWQLCSE-GOSISDBHSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452372 1323142812 /nfs/dbraw/zinc/14/28/12/1323142812.db2.gz CBAPEJJTXLPOSN-RBUKOAKNSA-N 2 1 345.462 2.075 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205668632 1323236722 /nfs/dbraw/zinc/23/67/22/1323236722.db2.gz JDWPMAUAPULXDK-PKOBYXMFSA-N 2 1 345.462 2.075 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001207538708 1324011550 /nfs/dbraw/zinc/01/15/50/1324011550.db2.gz UTJOLCAEVMBFHE-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001207538708 1324011555 /nfs/dbraw/zinc/01/15/55/1324011555.db2.gz UTJOLCAEVMBFHE-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001207538708 1324011558 /nfs/dbraw/zinc/01/15/58/1324011558.db2.gz UTJOLCAEVMBFHE-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001208090267 1324311034 /nfs/dbraw/zinc/31/10/34/1324311034.db2.gz PIEBEMPBJCBRCX-QAPCUYQASA-N 2 1 345.491 2.337 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001208090267 1324311043 /nfs/dbraw/zinc/31/10/43/1324311043.db2.gz PIEBEMPBJCBRCX-QAPCUYQASA-N 2 1 345.491 2.337 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC001312787225 1331791818 /nfs/dbraw/zinc/79/18/18/1331791818.db2.gz DQXCTHMEEUZJCS-SFHVURJKSA-N 2 1 336.524 2.141 20 30 EEEDMP N#Cc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC001580075991 1344466521 /nfs/dbraw/zinc/46/65/21/1344466521.db2.gz MQAVREMZADTJEM-RBUKOAKNSA-N 2 1 340.471 2.029 20 30 EEEDMP N#Cc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC001580075991 1344466523 /nfs/dbraw/zinc/46/65/23/1344466523.db2.gz MQAVREMZADTJEM-RBUKOAKNSA-N 2 1 340.471 2.029 20 30 EEEDMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001389802488 1388306225 /nfs/dbraw/zinc/30/62/25/1388306225.db2.gz KZAZPYJHACMWQS-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001369400059 1374532351 /nfs/dbraw/zinc/53/23/51/1374532351.db2.gz KMCRYVNQIJCLGM-RHSMWYFYSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001371662282 1375563208 /nfs/dbraw/zinc/56/32/08/1375563208.db2.gz YKEDCCQFDLTZKR-UONOGXRCSA-N 2 1 346.313 2.254 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001377396016 1379204544 /nfs/dbraw/zinc/20/45/44/1379204544.db2.gz UJKQUHRUZJJKRL-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001377396016 1379204547 /nfs/dbraw/zinc/20/45/47/1379204547.db2.gz UJKQUHRUZJJKRL-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001377396016 1379204553 /nfs/dbraw/zinc/20/45/53/1379204553.db2.gz UJKQUHRUZJJKRL-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001380170273 1381087209 /nfs/dbraw/zinc/08/72/09/1381087209.db2.gz JWRMWQGXIDZAKL-UHFFFAOYSA-N 2 1 344.297 2.009 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001752798214 1406417734 /nfs/dbraw/zinc/41/77/34/1406417734.db2.gz WEMKUWOETXPTRQ-RBUKOAKNSA-N 2 1 345.531 2.493 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001394810719 1390749875 /nfs/dbraw/zinc/74/98/75/1390749875.db2.gz LHGHCZGFSPYARU-QZTJIDSGSA-N 2 1 342.487 2.273 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)s1 ZINC001398347778 1392236513 /nfs/dbraw/zinc/23/65/13/1392236513.db2.gz WKCHKVQBQYSMCA-HNNXBMFYSA-N 2 1 346.500 2.186 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)s1 ZINC001398347778 1392236519 /nfs/dbraw/zinc/23/65/19/1392236519.db2.gz WKCHKVQBQYSMCA-HNNXBMFYSA-N 2 1 346.500 2.186 20 30 EEEDMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001399331784 1394978878 /nfs/dbraw/zinc/97/88/78/1394978878.db2.gz CTXLLJOCLHJHTP-HNNXBMFYSA-N 2 1 328.460 2.027 20 30 EEEDMP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001754313427 1406889921 /nfs/dbraw/zinc/88/99/21/1406889921.db2.gz VYEUCSMDJNFBNF-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001754313427 1406889928 /nfs/dbraw/zinc/88/99/28/1406889928.db2.gz VYEUCSMDJNFBNF-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001754313427 1406889931 /nfs/dbraw/zinc/88/99/31/1406889931.db2.gz VYEUCSMDJNFBNF-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001754313427 1406889935 /nfs/dbraw/zinc/88/99/35/1406889935.db2.gz VYEUCSMDJNFBNF-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)CC1CC[NH+](C)CC1 ZINC001401791149 1397573799 /nfs/dbraw/zinc/57/37/99/1397573799.db2.gz CLIDBVOPBGRXGS-AWEZNQCLSA-N 2 1 348.516 2.288 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)CC1CC[NH+](C)CC1 ZINC001401791149 1397573801 /nfs/dbraw/zinc/57/38/01/1397573801.db2.gz CLIDBVOPBGRXGS-AWEZNQCLSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001402983748 1398304879 /nfs/dbraw/zinc/30/48/79/1398304879.db2.gz XNGQFOBEXIBEEV-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001402983748 1398304884 /nfs/dbraw/zinc/30/48/84/1398304884.db2.gz XNGQFOBEXIBEEV-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001402983748 1398304888 /nfs/dbraw/zinc/30/48/88/1398304888.db2.gz XNGQFOBEXIBEEV-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+](C)C ZINC001755172185 1407183570 /nfs/dbraw/zinc/18/35/70/1407183570.db2.gz LPQUJGKLKHETNZ-LJQANCHMSA-N 2 1 327.472 2.067 20 30 EEEDMP CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+](C)C ZINC001755172185 1407183578 /nfs/dbraw/zinc/18/35/78/1407183578.db2.gz LPQUJGKLKHETNZ-LJQANCHMSA-N 2 1 327.472 2.067 20 30 EEEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001755185053 1407190436 /nfs/dbraw/zinc/19/04/36/1407190436.db2.gz UDPOMYORJKXXBE-QZTJIDSGSA-N 2 1 333.520 2.443 20 30 EEEDMP N#CC1(C[C@@H](O)C[N@H+]2Cc3ccccc3OC3(CC[NH2+]CC3)C2)CC1 ZINC001580037903 1403811936 /nfs/dbraw/zinc/81/19/36/1403811936.db2.gz ATRYKENKMOFQBE-QGZVFWFLSA-N 2 1 341.455 2.058 20 30 EEEDMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001755588402 1407659825 /nfs/dbraw/zinc/65/98/25/1407659825.db2.gz YQFXATLXESWSGL-YOEHRIQHSA-N 2 1 333.480 2.193 20 30 EEEDMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001755588402 1407659829 /nfs/dbraw/zinc/65/98/29/1407659829.db2.gz YQFXATLXESWSGL-YOEHRIQHSA-N 2 1 333.480 2.193 20 30 EEEDMP N#C[C@@H]1CCCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000686822531 1410395310 /nfs/dbraw/zinc/39/53/10/1410395310.db2.gz KOTHHPTZMGNZEC-SFHVURJKSA-N 2 1 340.471 2.132 20 30 EEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104595213 762021156 /nfs/dbraw/zinc/02/11/56/762021156.db2.gz LLJIZVHNUBBPEF-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104595219 762021184 /nfs/dbraw/zinc/02/11/84/762021184.db2.gz LRWSKXHIGRXCPI-NXHRZFHOSA-N 2 1 344.503 2.404 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104378807 759945284 /nfs/dbraw/zinc/94/52/84/759945284.db2.gz INXGZAXLFMDVKV-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001087306403 761554939 /nfs/dbraw/zinc/55/49/39/761554939.db2.gz IMWLSVGQZWLPHR-YZGWKJHDSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC(C)(C)C1 ZINC001089439788 769208880 /nfs/dbraw/zinc/20/88/80/769208880.db2.gz JEBQQQMFOWNKDY-MRXNPFEDSA-N 2 1 342.487 2.002 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC(C)(C)C1 ZINC001089439788 769208883 /nfs/dbraw/zinc/20/88/83/769208883.db2.gz JEBQQQMFOWNKDY-MRXNPFEDSA-N 2 1 342.487 2.002 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673579 770049037 /nfs/dbraw/zinc/04/90/37/770049037.db2.gz QRKOPQQJKWVLKT-YZGWKJHDSA-N 2 1 339.483 2.078 20 30 EEEDMP CCO[C@@H]1C[C@H](NC(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)=[NH+]C)C12CCC2 ZINC000155088699 770275582 /nfs/dbraw/zinc/27/55/82/770275582.db2.gz IMKWPXATJGIXFD-HDEZJCGLSA-N 2 1 334.508 2.124 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212757 783065918 /nfs/dbraw/zinc/06/59/18/783065918.db2.gz NWXGQYPHNPKIIZ-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089683928 774308731 /nfs/dbraw/zinc/30/87/31/774308731.db2.gz KMUFXIQBSKIEMO-ZWKOTPCHSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089683928 774308739 /nfs/dbraw/zinc/30/87/39/774308739.db2.gz KMUFXIQBSKIEMO-ZWKOTPCHSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089683928 774308747 /nfs/dbraw/zinc/30/87/47/774308747.db2.gz KMUFXIQBSKIEMO-ZWKOTPCHSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccsc3)C2)CC1 ZINC000980478215 774702603 /nfs/dbraw/zinc/70/26/03/774702603.db2.gz MUHXLDDTRDJNKC-SFHVURJKSA-N 2 1 345.512 2.126 20 30 EEEDMP CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001027971944 775448024 /nfs/dbraw/zinc/44/80/24/775448024.db2.gz OCWPOEYSDKWOOP-VQTJNVASSA-N 2 1 339.483 2.103 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001171247209 790459110 /nfs/dbraw/zinc/45/91/10/790459110.db2.gz JQZKVYOSNUYGGY-ZWKOTPCHSA-N 2 1 349.523 2.044 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089820972 776964968 /nfs/dbraw/zinc/96/49/68/776964968.db2.gz PZJXTMKTJNOFRJ-AITUJVMLSA-N 2 1 331.504 2.216 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820972 776964976 /nfs/dbraw/zinc/96/49/76/776964976.db2.gz PZJXTMKTJNOFRJ-AITUJVMLSA-N 2 1 331.504 2.216 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820972 776964981 /nfs/dbraw/zinc/96/49/81/776964981.db2.gz PZJXTMKTJNOFRJ-AITUJVMLSA-N 2 1 331.504 2.216 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839275 777495134 /nfs/dbraw/zinc/49/51/34/777495134.db2.gz RWLGGQXHPJESDU-LDTOTXGLSA-N 2 1 348.450 2.140 20 30 EEEDMP C=C(Cl)CN1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981779517 778199063 /nfs/dbraw/zinc/19/90/63/778199063.db2.gz AIRKKHZGCVLVLO-HUUCEWRRSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000981779517 778199064 /nfs/dbraw/zinc/19/90/64/778199064.db2.gz AIRKKHZGCVLVLO-HUUCEWRRSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981779517 778199065 /nfs/dbraw/zinc/19/90/65/778199065.db2.gz AIRKKHZGCVLVLO-HUUCEWRRSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981779517 778199067 /nfs/dbraw/zinc/19/90/67/778199067.db2.gz AIRKKHZGCVLVLO-HUUCEWRRSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981779517 778199069 /nfs/dbraw/zinc/19/90/69/778199069.db2.gz AIRKKHZGCVLVLO-HUUCEWRRSA-N 2 1 325.884 2.004 20 30 EEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC000981894400 778479528 /nfs/dbraw/zinc/47/95/28/778479528.db2.gz GXKVAHZMCDUQAJ-UHFFFAOYSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC000981894400 778479532 /nfs/dbraw/zinc/47/95/32/778479532.db2.gz GXKVAHZMCDUQAJ-UHFFFAOYSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000982013181 778865934 /nfs/dbraw/zinc/86/59/34/778865934.db2.gz NLSWJCNQRONJQB-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000982013181 778865940 /nfs/dbraw/zinc/86/59/40/778865940.db2.gz NLSWJCNQRONJQB-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713465 779534630 /nfs/dbraw/zinc/53/46/30/779534630.db2.gz MQVVRLWFNNBJNZ-RBUKOAKNSA-N 2 1 329.488 2.489 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@@]2(C)C1 ZINC000982305954 779656130 /nfs/dbraw/zinc/65/61/30/779656130.db2.gz BINWZNCYQGANBK-KVPLUYHFSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C[C@@]2(C)C1 ZINC000982305954 779656134 /nfs/dbraw/zinc/65/61/34/779656134.db2.gz BINWZNCYQGANBK-KVPLUYHFSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@@]2(C)C1 ZINC000982305954 779656138 /nfs/dbraw/zinc/65/61/38/779656138.db2.gz BINWZNCYQGANBK-KVPLUYHFSA-N 2 1 331.504 2.360 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001127701489 779799795 /nfs/dbraw/zinc/79/97/95/779799795.db2.gz QHCMLPFAJZMUTJ-ZWKOTPCHSA-N 2 1 347.890 2.128 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948385010 781397182 /nfs/dbraw/zinc/39/71/82/781397182.db2.gz HCVYTLJMRBOXJR-OWCLPIDISA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948385010 781397189 /nfs/dbraw/zinc/39/71/89/781397189.db2.gz HCVYTLJMRBOXJR-OWCLPIDISA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948385010 781397193 /nfs/dbraw/zinc/39/71/93/781397193.db2.gz HCVYTLJMRBOXJR-OWCLPIDISA-N 2 1 327.900 2.392 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105395770 781889160 /nfs/dbraw/zinc/88/91/60/781889160.db2.gz FGSAHASAWUOCHB-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105395770 781889168 /nfs/dbraw/zinc/88/91/68/781889168.db2.gz FGSAHASAWUOCHB-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105395770 781889176 /nfs/dbraw/zinc/88/91/76/781889176.db2.gz FGSAHASAWUOCHB-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001088316230 783485976 /nfs/dbraw/zinc/48/59/76/783485976.db2.gz URAGLIFJMQVGCJ-SJORKVTESA-N 2 1 330.476 2.391 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946808144 783536739 /nfs/dbraw/zinc/53/67/39/783536739.db2.gz KSXDAPHZZYHDGE-KDURUIRLSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945332286 783929789 /nfs/dbraw/zinc/92/97/89/783929789.db2.gz BXVWWJDJCCYFHU-RDJZCZTQSA-N 2 1 331.460 2.195 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001035195525 784088355 /nfs/dbraw/zinc/08/83/55/784088355.db2.gz YNOFQCOKKDGJPI-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC=C(C)C)C2)CC1 ZINC001035195525 784088360 /nfs/dbraw/zinc/08/83/60/784088360.db2.gz YNOFQCOKKDGJPI-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC=C(C)C)C2)CC1 ZINC001035195525 784088367 /nfs/dbraw/zinc/08/83/67/784088367.db2.gz YNOFQCOKKDGJPI-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC=C(C)C)C2)CC1 ZINC001035195525 784088375 /nfs/dbraw/zinc/08/83/75/784088375.db2.gz YNOFQCOKKDGJPI-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135975864 784924289 /nfs/dbraw/zinc/92/42/89/784924289.db2.gz DQQUNAQKWXTRHU-HUUCEWRRSA-N 2 1 348.466 2.412 20 30 EEEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299805 786233679 /nfs/dbraw/zinc/23/36/79/786233679.db2.gz DOFVMHKSOGAJJZ-KBXCAEBGSA-N 2 1 325.472 2.212 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2csc(C)c2)CC1 ZINC000996683432 787126006 /nfs/dbraw/zinc/12/60/06/787126006.db2.gz COXKDYDPGOOXSM-SFHVURJKSA-N 2 1 345.512 2.235 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2csc(C)c2)CC1 ZINC000996683432 787126012 /nfs/dbraw/zinc/12/60/12/787126012.db2.gz COXKDYDPGOOXSM-SFHVURJKSA-N 2 1 345.512 2.235 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC000996685223 787132657 /nfs/dbraw/zinc/13/26/57/787132657.db2.gz OEILYWBRCCBFLP-FQEVSTJZSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC000996685223 787132661 /nfs/dbraw/zinc/13/26/61/787132661.db2.gz OEILYWBRCCBFLP-FQEVSTJZSA-N 2 1 339.483 2.173 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000996731695 787335606 /nfs/dbraw/zinc/33/56/06/787335606.db2.gz ZPUMUVYRUKYEFQ-QGZVFWFLSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000825077907 788432486 /nfs/dbraw/zinc/43/24/86/788432486.db2.gz LYGKVZOEOBWDBP-FQEVSTJZSA-N 2 1 339.483 2.034 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001107946817 789708826 /nfs/dbraw/zinc/70/88/26/789708826.db2.gz ZEFNSYFMVVNTJG-IBGZPJMESA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069762 791770760 /nfs/dbraw/zinc/77/07/60/791770760.db2.gz NCDOSZAIMVVEON-KRWDZBQOSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069762 791770762 /nfs/dbraw/zinc/77/07/62/791770762.db2.gz NCDOSZAIMVVEON-KRWDZBQOSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998009255 791825732 /nfs/dbraw/zinc/82/57/32/791825732.db2.gz VEDXMUYOIJQYFW-GBESFXJTSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998009255 791825736 /nfs/dbraw/zinc/82/57/36/791825736.db2.gz VEDXMUYOIJQYFW-GBESFXJTSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998009255 791825737 /nfs/dbraw/zinc/82/57/37/791825737.db2.gz VEDXMUYOIJQYFW-GBESFXJTSA-N 2 1 333.520 2.443 20 30 EEEDMP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC000998271688 792415277 /nfs/dbraw/zinc/41/52/77/792415277.db2.gz YGXTXWKXEVMQSY-KBPBESRZSA-N 2 1 333.398 2.026 20 30 EEEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148590497 792574027 /nfs/dbraw/zinc/57/40/27/792574027.db2.gz GMQIBKZDGCIHKG-UHFFFAOYSA-N 2 1 333.520 2.446 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924629 792996134 /nfs/dbraw/zinc/99/61/34/792996134.db2.gz XVVKFTMLKAGQTI-KZNAEPCWSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCC(=C)C)C[C@@]3(C)C2)CC1 ZINC001092300046 793775344 /nfs/dbraw/zinc/77/53/44/793775344.db2.gz QQZRZTZUFBTWBL-CTNGQTDRSA-N 2 1 343.515 2.078 20 30 EEEDMP C=C(Cl)CN1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992421987 794046288 /nfs/dbraw/zinc/04/62/88/794046288.db2.gz YVSYVYDTMASJES-YQQAZPJKSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992421987 794046295 /nfs/dbraw/zinc/04/62/95/794046295.db2.gz YVSYVYDTMASJES-YQQAZPJKSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992421987 794046302 /nfs/dbraw/zinc/04/63/02/794046302.db2.gz YVSYVYDTMASJES-YQQAZPJKSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992421987 794046309 /nfs/dbraw/zinc/04/63/09/794046309.db2.gz YVSYVYDTMASJES-YQQAZPJKSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992421987 794046311 /nfs/dbraw/zinc/04/63/11/794046311.db2.gz YVSYVYDTMASJES-YQQAZPJKSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001092689921 794264580 /nfs/dbraw/zinc/26/45/80/794264580.db2.gz RWGPWLLFCDLBMC-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001092689921 794264585 /nfs/dbraw/zinc/26/45/85/794264585.db2.gz RWGPWLLFCDLBMC-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001092689921 794264588 /nfs/dbraw/zinc/26/45/88/794264588.db2.gz RWGPWLLFCDLBMC-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001092689921 794264594 /nfs/dbraw/zinc/26/45/94/794264594.db2.gz RWGPWLLFCDLBMC-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000999390593 794403565 /nfs/dbraw/zinc/40/35/65/794403565.db2.gz GFEDORRZPBRPAX-MOPGFXCFSA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000999390593 794403571 /nfs/dbraw/zinc/40/35/71/794403571.db2.gz GFEDORRZPBRPAX-MOPGFXCFSA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000999401567 794411390 /nfs/dbraw/zinc/41/13/90/794411390.db2.gz YWRHOTZFCBLUOG-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000999401567 794411397 /nfs/dbraw/zinc/41/13/97/794411397.db2.gz YWRHOTZFCBLUOG-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992503251 794431219 /nfs/dbraw/zinc/43/12/19/794431219.db2.gz DSNQVMVMYMLKJC-FPOVZHCZSA-N 2 1 339.483 2.498 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992512497 794463533 /nfs/dbraw/zinc/46/35/33/794463533.db2.gz STRVBZQAWXECJM-QUCCMNQESA-N 2 1 325.456 2.108 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cccc(F)c1 ZINC001079191419 794470857 /nfs/dbraw/zinc/47/08/57/794470857.db2.gz OYJWDERSCHGTCO-ZWKOTPCHSA-N 2 1 342.418 2.101 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000999508372 794560805 /nfs/dbraw/zinc/56/08/05/794560805.db2.gz HMNTTWOVTRDQFL-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001036737132 794694500 /nfs/dbraw/zinc/69/45/00/794694500.db2.gz MDODZAZGXOHBHW-GOEBONIOSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036737132 794694505 /nfs/dbraw/zinc/69/45/05/794694505.db2.gz MDODZAZGXOHBHW-GOEBONIOSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036737132 794694509 /nfs/dbraw/zinc/69/45/09/794694509.db2.gz MDODZAZGXOHBHW-GOEBONIOSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001000314368 795771609 /nfs/dbraw/zinc/77/16/09/795771609.db2.gz LHVUPLKDRDAANZ-UHFFFAOYSA-N 2 1 337.895 2.196 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106590992 795902037 /nfs/dbraw/zinc/90/20/37/795902037.db2.gz IGQWGFGZXDKRSR-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666745 796073073 /nfs/dbraw/zinc/07/30/73/796073073.db2.gz SLHRGGWIEIYDIB-GPMSIDNRSA-N 2 1 339.499 2.459 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106840335 797241397 /nfs/dbraw/zinc/24/13/97/797241397.db2.gz IQAHHIWXEOJZOI-UYAOXDASSA-N 2 1 341.499 2.064 20 30 EEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262735 798060266 /nfs/dbraw/zinc/06/02/66/798060266.db2.gz LCTXVIFMIPSBNA-QFBILLFUSA-N 2 1 339.499 2.487 20 30 EEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001175931028 798292886 /nfs/dbraw/zinc/29/28/86/798292886.db2.gz YLZOHJLMWXMHSB-MRXNPFEDSA-N 2 1 339.443 2.169 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085149074 798722876 /nfs/dbraw/zinc/72/28/76/798722876.db2.gz AXVBOQRBULXDCE-GUDVDZBRSA-N 2 1 340.471 2.169 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001003055575 799139198 /nfs/dbraw/zinc/13/91/98/799139198.db2.gz IVFXBPGSWUPDHZ-FQEVSTJZSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001003055575 799139202 /nfs/dbraw/zinc/13/92/02/799139202.db2.gz IVFXBPGSWUPDHZ-FQEVSTJZSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001178722659 799580882 /nfs/dbraw/zinc/58/08/82/799580882.db2.gz LZJBUAVSQIAXHQ-DZZUKKPASA-N 2 1 325.884 2.103 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001178722659 799580883 /nfs/dbraw/zinc/58/08/83/799580883.db2.gz LZJBUAVSQIAXHQ-DZZUKKPASA-N 2 1 325.884 2.103 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598565 800866389 /nfs/dbraw/zinc/86/63/89/800866389.db2.gz WFTWBPVSYIEPCQ-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598565 800866395 /nfs/dbraw/zinc/86/63/95/800866395.db2.gz WFTWBPVSYIEPCQ-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598565 800866400 /nfs/dbraw/zinc/86/64/00/800866400.db2.gz WFTWBPVSYIEPCQ-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598565 800866407 /nfs/dbraw/zinc/86/64/07/800866407.db2.gz WFTWBPVSYIEPCQ-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085646738 800970126 /nfs/dbraw/zinc/97/01/26/800970126.db2.gz OEHBWUMDVUOLAV-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001085646738 800970132 /nfs/dbraw/zinc/97/01/32/800970132.db2.gz OEHBWUMDVUOLAV-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001085646738 800970141 /nfs/dbraw/zinc/97/01/41/800970141.db2.gz OEHBWUMDVUOLAV-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001085646738 800970151 /nfs/dbraw/zinc/97/01/51/800970151.db2.gz OEHBWUMDVUOLAV-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788110 801278706 /nfs/dbraw/zinc/27/87/06/801278706.db2.gz DYDBUPLQJMQXJV-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788110 801278712 /nfs/dbraw/zinc/27/87/12/801278712.db2.gz DYDBUPLQJMQXJV-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001184700865 802135214 /nfs/dbraw/zinc/13/52/14/802135214.db2.gz HBWCUIOSSQOFMZ-JKSUJKDBSA-N 2 1 348.491 2.390 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)CC)C[C@H]2CC1 ZINC000946627733 802366939 /nfs/dbraw/zinc/36/69/39/802366939.db2.gz CSSQUILNDBZKGP-HAGHYFMRSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]2CC1 ZINC000946627733 802366946 /nfs/dbraw/zinc/36/69/46/802366946.db2.gz CSSQUILNDBZKGP-HAGHYFMRSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CC)C[C@H]2CC1 ZINC000946627733 802366953 /nfs/dbraw/zinc/36/69/53/802366953.db2.gz CSSQUILNDBZKGP-HAGHYFMRSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CC)C[C@H]2CC1 ZINC000946627733 802366962 /nfs/dbraw/zinc/36/69/62/802366962.db2.gz CSSQUILNDBZKGP-HAGHYFMRSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086413319 802915132 /nfs/dbraw/zinc/91/51/32/802915132.db2.gz CKELADGTRBTSEA-BZUAXINKSA-N 2 1 327.900 2.344 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086484358 803081679 /nfs/dbraw/zinc/08/16/79/803081679.db2.gz UQBAOJRACWBCAL-AFYVEPGGSA-N 2 1 341.499 2.392 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001086500340 803132257 /nfs/dbraw/zinc/13/22/57/803132257.db2.gz XKQFSLWSTLCDDT-YHUYYLMFSA-N 2 1 325.884 2.240 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169095979 803607977 /nfs/dbraw/zinc/60/79/77/803607977.db2.gz TVZVGOFPVHJLRY-ZJPYXAASSA-N 2 1 327.472 2.106 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001437953105 1090550223 /nfs/dbraw/zinc/55/02/23/1090550223.db2.gz POXJNJLNOYPZKV-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001437953105 1090550225 /nfs/dbraw/zinc/55/02/25/1090550225.db2.gz POXJNJLNOYPZKV-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001437953105 1090550227 /nfs/dbraw/zinc/55/02/27/1090550227.db2.gz POXJNJLNOYPZKV-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498416446 1107483682 /nfs/dbraw/zinc/48/36/82/1107483682.db2.gz VAVADBRXDRQBSJ-QGZVFWFLSA-N 2 1 342.487 2.227 20 30 EEEDMP CCN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001568754739 1124769774 /nfs/dbraw/zinc/76/97/74/1124769774.db2.gz YBNCLQGLSMYVSR-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CCCOc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000264933537 533071383 /nfs/dbraw/zinc/07/13/83/533071383.db2.gz BWWRERFCBGPDBL-IBGZPJMESA-N 2 1 330.472 2.415 20 30 EEEDMP C#C[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(C)(C)C ZINC000491474715 533317701 /nfs/dbraw/zinc/31/77/01/533317701.db2.gz PHZFCCRZRFEYFV-SFHVURJKSA-N 2 1 333.520 2.347 20 30 EEEDMP Cn1cc[nH+]c1N1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000328748270 465117134 /nfs/dbraw/zinc/11/71/34/465117134.db2.gz LYDIETHYTJJUFH-UHFFFAOYSA-N 2 1 331.464 2.220 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)C(C)C ZINC000355469311 465250830 /nfs/dbraw/zinc/25/08/30/465250830.db2.gz FIGHVESLYOIYHS-MSOLQXFVSA-N 2 1 336.524 2.421 20 30 EEEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3cn4ccccc4n3)CC[C@H]21 ZINC000329329915 465301483 /nfs/dbraw/zinc/30/14/83/465301483.db2.gz YUFDGUFQCSTRES-GDBMZVCRSA-N 2 1 327.432 2.164 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1csc(-c2ccco2)n1 ZINC000123608071 463355040 /nfs/dbraw/zinc/35/50/40/463355040.db2.gz SDFTYWNMBLFSFA-ZDUSSCGKSA-N 2 1 333.461 2.292 20 30 EEEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@@H]1CCOc2ccccc21 ZINC000262849895 464049737 /nfs/dbraw/zinc/04/97/37/464049737.db2.gz SFVZUOFWJHMAAU-DOTOQJQBSA-N 2 1 328.460 2.431 20 30 EEEDMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000264071791 464279937 /nfs/dbraw/zinc/27/99/37/464279937.db2.gz DLCKQKKAAFWMLA-MRXNPFEDSA-N 2 1 345.535 2.422 20 30 EEEDMP CCCOc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1OC ZINC000264133327 464286446 /nfs/dbraw/zinc/28/64/46/464286446.db2.gz YSKCMTUTRNNHIS-MRXNPFEDSA-N 2 1 348.491 2.373 20 30 EEEDMP CCN(C[C@H](C)C#N)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245805716 464515422 /nfs/dbraw/zinc/51/54/22/464515422.db2.gz PYLVDQHITGVROF-ZHALLVOQSA-N 2 1 342.487 2.247 20 30 EEEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000181733007 464523606 /nfs/dbraw/zinc/52/36/06/464523606.db2.gz GMYUCDMJGWKEEK-SJLPKXTDSA-N 2 1 331.460 2.476 20 30 EEEDMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC000329768885 465428742 /nfs/dbraw/zinc/42/87/42/465428742.db2.gz HEFHEYVEJBMRCE-CRAIPNDOSA-N 2 1 345.491 2.032 20 30 EEEDMP Cn1cc[nH+]c1[C@H]1CCCN(CC(=O)Nc2sccc2C#N)C1 ZINC000373100650 466692342 /nfs/dbraw/zinc/69/23/42/466692342.db2.gz SOLJPDRBRFLVHP-ZDUSSCGKSA-N 2 1 329.429 2.171 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424147773 466990928 /nfs/dbraw/zinc/99/09/28/466990928.db2.gz SEROXRMZAVPQEB-KBAYOESNSA-N 2 1 328.460 2.034 20 30 EEEDMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424164588 466993861 /nfs/dbraw/zinc/99/38/61/466993861.db2.gz CMUVSNBNKUOSBX-MSOLQXFVSA-N 2 1 328.460 2.131 20 30 EEEDMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424164588 466993865 /nfs/dbraw/zinc/99/38/65/466993865.db2.gz CMUVSNBNKUOSBX-MSOLQXFVSA-N 2 1 328.460 2.131 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(OCC)cc2)CC1 ZINC000566107174 468144098 /nfs/dbraw/zinc/14/40/98/468144098.db2.gz GGYYODGAWVEDDK-SFHVURJKSA-N 2 1 348.487 2.455 20 30 EEEDMP C[N@H+]1CCN(CCC[NH2+]C[C@H](C#N)CCC#N)[C@H](c2ccccc2)C1 ZINC000591725385 468510511 /nfs/dbraw/zinc/51/05/11/468510511.db2.gz WICOVGJQPYKICC-ICSRJNTNSA-N 2 1 339.487 2.398 20 30 EEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000189996389 528664272 /nfs/dbraw/zinc/66/42/72/528664272.db2.gz UAYBUTHJHMJZPR-AHRSYUTCSA-N 2 1 345.487 2.318 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000730096076 576713929 /nfs/dbraw/zinc/71/39/29/576713929.db2.gz LAYSPSZPQUXBPR-RBUKOAKNSA-N 2 1 327.472 2.066 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000730096076 576713932 /nfs/dbraw/zinc/71/39/32/576713932.db2.gz LAYSPSZPQUXBPR-RBUKOAKNSA-N 2 1 327.472 2.066 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000731809313 577126261 /nfs/dbraw/zinc/12/62/61/577126261.db2.gz BLDIYCCJFDVQDP-AEFFLSMTSA-N 2 1 327.472 2.330 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000731809313 577126262 /nfs/dbraw/zinc/12/62/62/577126262.db2.gz BLDIYCCJFDVQDP-AEFFLSMTSA-N 2 1 327.472 2.330 20 30 EEEDMP C#CCCOc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000733328325 577222766 /nfs/dbraw/zinc/22/27/66/577222766.db2.gz OMPFMQNRRHUWKW-UHFFFAOYSA-N 2 1 329.488 2.206 20 30 EEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763411595 577720843 /nfs/dbraw/zinc/72/08/43/577720843.db2.gz AQRKMFGDLPNTEX-OALUTQOASA-N 2 1 331.460 2.024 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](F)CC)CC1 ZINC001021469827 676118858 /nfs/dbraw/zinc/11/88/58/676118858.db2.gz OJWDKUHWOOUHIZ-QBUWPKIASA-N 2 1 349.494 2.191 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001021087637 675714802 /nfs/dbraw/zinc/71/48/02/675714802.db2.gz DOUQYEXSECJKDW-YXSUXZIUSA-N 2 1 344.297 2.005 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706551 676367045 /nfs/dbraw/zinc/36/70/45/676367045.db2.gz LSUMNIGWGIDXEV-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000972387254 678634941 /nfs/dbraw/zinc/63/49/41/678634941.db2.gz NMDOJDRQZJNRGI-FQEVSTJZSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023509227 679347161 /nfs/dbraw/zinc/34/71/61/679347161.db2.gz ZEPWKKXWQHPZOG-GOSISDBHSA-N 2 1 341.499 2.256 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028603633 681360227 /nfs/dbraw/zinc/36/02/27/681360227.db2.gz FZXIRWAHSGTDQZ-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028603633 681360231 /nfs/dbraw/zinc/36/02/31/681360231.db2.gz FZXIRWAHSGTDQZ-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028603633 681360237 /nfs/dbraw/zinc/36/02/37/681360237.db2.gz FZXIRWAHSGTDQZ-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028603633 681360243 /nfs/dbraw/zinc/36/02/43/681360243.db2.gz FZXIRWAHSGTDQZ-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCSCC2)cc1F ZINC000261971469 682701755 /nfs/dbraw/zinc/70/17/55/682701755.db2.gz DJKOQGDPZHYEIO-UHFFFAOYSA-N 2 1 333.436 2.183 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC000978624651 693756675 /nfs/dbraw/zinc/75/66/75/693756675.db2.gz AXDWJTFCPZKZNR-OWYHZJEWSA-N 2 1 342.487 2.014 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC000978624651 693756678 /nfs/dbraw/zinc/75/66/78/693756678.db2.gz AXDWJTFCPZKZNR-OWYHZJEWSA-N 2 1 342.487 2.014 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]12 ZINC001026360557 684439255 /nfs/dbraw/zinc/43/92/55/684439255.db2.gz KZWBFTNRLJNORG-BZUAXINKSA-N 2 1 339.911 2.297 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)Cc3cn4c(n3)CCCC4)CCC[C@@H]12 ZINC000990814792 693908764 /nfs/dbraw/zinc/90/87/64/693908764.db2.gz JGERTMHKRKXYTG-APWZRJJASA-N 2 1 328.460 2.061 20 30 EEEDMP CCO[C@@H]1C[C@H](NC(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)=[NH+]C)C12CCC2 ZINC000262370442 685681026 /nfs/dbraw/zinc/68/10/26/685681026.db2.gz IMKWPXATJGIXFD-TXCZRRACSA-N 2 1 334.508 2.124 20 30 EEEDMP CCN(CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccccc1C ZINC000303907472 686943748 /nfs/dbraw/zinc/94/37/48/686943748.db2.gz WVUYRGNQJZZDHE-QGZVFWFLSA-N 2 1 331.508 2.210 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CCC3CC3)CC2)CC1 ZINC000985803850 687728568 /nfs/dbraw/zinc/72/85/68/687728568.db2.gz LJJRCMFJTCPURV-UHFFFAOYSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001009630593 688071640 /nfs/dbraw/zinc/07/16/40/688071640.db2.gz XMIBQJBZBXGFPF-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387143 694332458 /nfs/dbraw/zinc/33/24/58/694332458.db2.gz AKLOVLNHMJPDCV-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387143 694332461 /nfs/dbraw/zinc/33/24/61/694332461.db2.gz AKLOVLNHMJPDCV-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387143 694332462 /nfs/dbraw/zinc/33/24/62/694332462.db2.gz AKLOVLNHMJPDCV-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001482330355 1185413200 /nfs/dbraw/zinc/41/32/00/1185413200.db2.gz IWYSLPXSWRPPMY-INIZCTEOSA-N 2 1 344.503 2.473 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945088027 1193361386 /nfs/dbraw/zinc/36/13/86/1193361386.db2.gz ABCOSHMBAMUZDV-VQIMIIECSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105564077 1188180603 /nfs/dbraw/zinc/18/06/03/1188180603.db2.gz VWAVJLPPNBNDPW-RTBURBONSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033898877 1195467291 /nfs/dbraw/zinc/46/72/91/1195467291.db2.gz ZAWGZZATCAWRJY-KRWDZBQOSA-N 2 1 339.443 2.380 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132173534 1199388615 /nfs/dbraw/zinc/38/86/15/1199388615.db2.gz NMEWJNZOYPBHQB-RDJZCZTQSA-N 2 1 342.443 2.120 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001132274139 1199523670 /nfs/dbraw/zinc/52/36/70/1199523670.db2.gz PCEWCOOLZCMMDR-RHSMWYFYSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001132274139 1199523672 /nfs/dbraw/zinc/52/36/72/1199523672.db2.gz PCEWCOOLZCMMDR-RHSMWYFYSA-N 2 1 346.450 2.118 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132521353 1199831222 /nfs/dbraw/zinc/83/12/22/1199831222.db2.gz CANCIVURMQSIBA-UYAOXDASSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132521353 1199831226 /nfs/dbraw/zinc/83/12/26/1199831226.db2.gz CANCIVURMQSIBA-UYAOXDASSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132521353 1199831230 /nfs/dbraw/zinc/83/12/30/1199831230.db2.gz CANCIVURMQSIBA-UYAOXDASSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132521353 1199831237 /nfs/dbraw/zinc/83/12/37/1199831237.db2.gz CANCIVURMQSIBA-UYAOXDASSA-N 2 1 341.499 2.347 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001133396103 1200854871 /nfs/dbraw/zinc/85/48/71/1200854871.db2.gz RCVKJQOJDMIASK-CRAIPNDOSA-N 2 1 347.890 2.232 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862208 1204932867 /nfs/dbraw/zinc/93/28/67/1204932867.db2.gz CTABMMRFMAQPGB-KURKYZTESA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001275381466 1205330587 /nfs/dbraw/zinc/33/05/87/1205330587.db2.gz UGBTVVFQPSGDMY-UHFFFAOYSA-N 2 1 340.475 2.280 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000948625424 1209258666 /nfs/dbraw/zinc/25/86/66/1209258666.db2.gz OYFJHOILQJZHIO-KRWDZBQOSA-N 2 1 342.487 2.098 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000948625424 1209258668 /nfs/dbraw/zinc/25/86/68/1209258668.db2.gz OYFJHOILQJZHIO-KRWDZBQOSA-N 2 1 342.487 2.098 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001111309424 1210106321 /nfs/dbraw/zinc/10/63/21/1210106321.db2.gz QHBRRPRTRMPVAY-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001111309424 1210106322 /nfs/dbraw/zinc/10/63/22/1210106322.db2.gz QHBRRPRTRMPVAY-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001111309424 1210106323 /nfs/dbraw/zinc/10/63/23/1210106323.db2.gz QHBRRPRTRMPVAY-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001111309424 1210106325 /nfs/dbraw/zinc/10/63/25/1210106325.db2.gz QHBRRPRTRMPVAY-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114626549 1213697488 /nfs/dbraw/zinc/69/74/88/1213697488.db2.gz HRFCSSHRHKBCNB-FOLVSLTJSA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114626549 1213697491 /nfs/dbraw/zinc/69/74/91/1213697491.db2.gz HRFCSSHRHKBCNB-FOLVSLTJSA-N 2 1 325.884 2.050 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCOc1ccc(F)cc1 ZINC000303788204 1213906604 /nfs/dbraw/zinc/90/66/04/1213906604.db2.gz UBKSRYMGJFLJND-INIZCTEOSA-N 2 1 336.455 2.373 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](OC)c1cccc(Cl)c1 ZINC000304771370 1216105636 /nfs/dbraw/zinc/10/56/36/1216105636.db2.gz AAQPUYDKYYLAAZ-JKSUJKDBSA-N 2 1 338.883 2.416 20 30 EEEDMP C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960479701 1216615584 /nfs/dbraw/zinc/61/55/84/1216615584.db2.gz PKFSYWBZVKSHMH-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000960479701 1216615587 /nfs/dbraw/zinc/61/55/87/1216615587.db2.gz PKFSYWBZVKSHMH-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000960479701 1216615589 /nfs/dbraw/zinc/61/55/89/1216615589.db2.gz PKFSYWBZVKSHMH-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314933 1217506694 /nfs/dbraw/zinc/50/66/94/1217506694.db2.gz QIFHEYDBBVDMOU-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963365772 1217562176 /nfs/dbraw/zinc/56/21/76/1217562176.db2.gz HTGFZODFLKNJHS-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000962307475 1217604283 /nfs/dbraw/zinc/60/42/83/1217604283.db2.gz TTWWLEJGASPMTR-NFOMZHRRSA-N 2 1 346.500 2.088 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969108598 1221815226 /nfs/dbraw/zinc/81/52/26/1221815226.db2.gz GJTYBCNZINRYIO-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001016930989 1226978728 /nfs/dbraw/zinc/97/87/28/1226978728.db2.gz OLMSXPSTSHEBFH-HUUCEWRRSA-N 2 1 325.884 2.051 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130135 1230338531 /nfs/dbraw/zinc/33/85/31/1230338531.db2.gz JCEBJRRUYOEDNX-WOJBJXKFSA-N 2 1 345.531 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165470 1230387219 /nfs/dbraw/zinc/38/72/19/1230387219.db2.gz QZAQDGLNEAVYRA-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039165470 1230387220 /nfs/dbraw/zinc/38/72/20/1230387220.db2.gz QZAQDGLNEAVYRA-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039165470 1230387224 /nfs/dbraw/zinc/38/72/24/1230387224.db2.gz QZAQDGLNEAVYRA-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039447904 1230615819 /nfs/dbraw/zinc/61/58/19/1230615819.db2.gz OWHUPFMIXPVGJS-CEXWTWQISA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039447904 1230615825 /nfs/dbraw/zinc/61/58/25/1230615825.db2.gz OWHUPFMIXPVGJS-CEXWTWQISA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039447904 1230615829 /nfs/dbraw/zinc/61/58/29/1230615829.db2.gz OWHUPFMIXPVGJS-CEXWTWQISA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242727 1231127963 /nfs/dbraw/zinc/12/79/63/1231127963.db2.gz ZZUJXKXVIXOQAU-PXNSSMCTSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242727 1231127967 /nfs/dbraw/zinc/12/79/67/1231127967.db2.gz ZZUJXKXVIXOQAU-PXNSSMCTSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242706 1231128074 /nfs/dbraw/zinc/12/80/74/1231128074.db2.gz ZWEWTTMFFPTFLZ-XLIONFOSSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242706 1231128075 /nfs/dbraw/zinc/12/80/75/1231128075.db2.gz ZWEWTTMFFPTFLZ-XLIONFOSSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCCF)C3)CC1 ZINC001040543643 1231284509 /nfs/dbraw/zinc/28/45/09/1231284509.db2.gz QGZYHQICWNJUFX-HXUWFJFHSA-N 2 1 349.494 2.006 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040847851 1231387072 /nfs/dbraw/zinc/38/70/72/1231387072.db2.gz AHFROMXIJYRITP-ZWKOTPCHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001041480258 1231561068 /nfs/dbraw/zinc/56/10/68/1231561068.db2.gz RDMAVAJXRVNRBQ-FQEVSTJZSA-N 2 1 342.487 2.262 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001041480258 1231561070 /nfs/dbraw/zinc/56/10/70/1231561070.db2.gz RDMAVAJXRVNRBQ-FQEVSTJZSA-N 2 1 342.487 2.262 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757402 1231679246 /nfs/dbraw/zinc/67/92/46/1231679246.db2.gz UYCGKRKYXVDWPC-SFHVURJKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757402 1231679248 /nfs/dbraw/zinc/67/92/48/1231679248.db2.gz UYCGKRKYXVDWPC-SFHVURJKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020855 1233688922 /nfs/dbraw/zinc/68/89/22/1233688922.db2.gz SGONBRMHNYVZJU-QYZOEREBSA-N 2 1 327.472 2.312 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045938523 1234193014 /nfs/dbraw/zinc/19/30/14/1234193014.db2.gz DNPHCPKSVIIMHB-ZVDOUQERSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938523 1234193016 /nfs/dbraw/zinc/19/30/16/1234193016.db2.gz DNPHCPKSVIIMHB-ZVDOUQERSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938523 1234193019 /nfs/dbraw/zinc/19/30/19/1234193019.db2.gz DNPHCPKSVIIMHB-ZVDOUQERSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980363 1234271207 /nfs/dbraw/zinc/27/12/07/1234271207.db2.gz WHVDKMDUJCQFRZ-IBGZPJMESA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@]3(CC[N@H+](CC=C)C3)C2)CC1 ZINC001045986352 1234281682 /nfs/dbraw/zinc/28/16/82/1234281682.db2.gz ODRMFUOUNJOMEQ-OAQYLSRUSA-N 2 1 343.515 2.222 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046620155 1235003843 /nfs/dbraw/zinc/00/38/43/1235003843.db2.gz JUVZCJXVOKEMEM-VQIMIIECSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046620155 1235003849 /nfs/dbraw/zinc/00/38/49/1235003849.db2.gz JUVZCJXVOKEMEM-VQIMIIECSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001046849221 1235246879 /nfs/dbraw/zinc/24/68/79/1235246879.db2.gz CPSLPQSUPQWHLF-HXUWFJFHSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046967786 1235369082 /nfs/dbraw/zinc/36/90/82/1235369082.db2.gz XPIFCCGHQQAOTR-JYJNAYRXSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046967786 1235369087 /nfs/dbraw/zinc/36/90/87/1235369087.db2.gz XPIFCCGHQQAOTR-JYJNAYRXSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046967786 1235369090 /nfs/dbraw/zinc/36/90/90/1235369090.db2.gz XPIFCCGHQQAOTR-JYJNAYRXSA-N 2 1 343.462 2.366 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001048533012 1237894613 /nfs/dbraw/zinc/89/46/13/1237894613.db2.gz NDLFASJDHJBEMC-XMTFNYHQSA-N 2 1 340.471 2.143 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001048533012 1237894621 /nfs/dbraw/zinc/89/46/21/1237894621.db2.gz NDLFASJDHJBEMC-XMTFNYHQSA-N 2 1 340.471 2.143 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001048538912 1237912551 /nfs/dbraw/zinc/91/25/51/1237912551.db2.gz FRSRZMMUKVIDKJ-YRPNKDGESA-N 2 1 345.531 2.489 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048538912 1237912556 /nfs/dbraw/zinc/91/25/56/1237912556.db2.gz FRSRZMMUKVIDKJ-YRPNKDGESA-N 2 1 345.531 2.489 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001048538912 1237912561 /nfs/dbraw/zinc/91/25/61/1237912561.db2.gz FRSRZMMUKVIDKJ-YRPNKDGESA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CCCCC3)C[C@@H]2C1 ZINC001048870022 1239095492 /nfs/dbraw/zinc/09/54/92/1239095492.db2.gz LEGXTYXSFAXYCF-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CCCCC3)C[C@@H]2C1 ZINC001048870022 1239095496 /nfs/dbraw/zinc/09/54/96/1239095496.db2.gz LEGXTYXSFAXYCF-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001048870022 1239095514 /nfs/dbraw/zinc/09/55/14/1239095514.db2.gz LEGXTYXSFAXYCF-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001048870022 1239095521 /nfs/dbraw/zinc/09/55/21/1239095521.db2.gz LEGXTYXSFAXYCF-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000687739 1240737332 /nfs/dbraw/zinc/73/73/32/1240737332.db2.gz HTTRHWWHRXSPSY-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478559 1241077348 /nfs/dbraw/zinc/07/73/48/1241077348.db2.gz PTGWZZKQVFCEQW-GUDVDZBRSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049483682 1241092206 /nfs/dbraw/zinc/09/22/06/1241092206.db2.gz CGKNVXYWUHMHEY-IXDOHACOSA-N 2 1 328.460 2.095 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049483682 1241092212 /nfs/dbraw/zinc/09/22/12/1241092212.db2.gz CGKNVXYWUHMHEY-IXDOHACOSA-N 2 1 328.460 2.095 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001001378886 1242159403 /nfs/dbraw/zinc/15/94/03/1242159403.db2.gz LUHVVRMDGVLPFG-UHFFFAOYSA-N 2 1 328.460 2.476 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837260 1242367832 /nfs/dbraw/zinc/36/78/32/1242367832.db2.gz ANXWYKWKHBCUSW-OALUTQOASA-N 2 1 331.504 2.360 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC[C@@H](C)F)CC1 ZINC001049909449 1242657472 /nfs/dbraw/zinc/65/74/72/1242657472.db2.gz BGNQRWSOINMKQF-BHIYHBOVSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3C/C=C\Cl)CC1 ZINC001049920252 1242713077 /nfs/dbraw/zinc/71/30/77/1242713077.db2.gz RCUMWNOWEBPEQT-CPRJUCLXSA-N 2 1 349.906 2.149 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001050630437 1243991560 /nfs/dbraw/zinc/99/15/60/1243991560.db2.gz PODBWCORCWLNKR-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)CC1 ZINC001050662813 1244072654 /nfs/dbraw/zinc/07/26/54/1244072654.db2.gz BZTKOROXHXLLGX-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312972 1245645857 /nfs/dbraw/zinc/64/58/57/1245645857.db2.gz VMRRJCDMHXYFSQ-NQIIRXRSSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312972 1245645864 /nfs/dbraw/zinc/64/58/64/1245645864.db2.gz VMRRJCDMHXYFSQ-NQIIRXRSSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312972 1245645870 /nfs/dbraw/zinc/64/58/70/1245645870.db2.gz VMRRJCDMHXYFSQ-NQIIRXRSSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@]2(C)C1 ZINC001101395806 1245759269 /nfs/dbraw/zinc/75/92/69/1245759269.db2.gz PWWONLWVUYRRIX-QUCCMNQESA-N 2 1 333.520 2.302 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@]2(C)C1 ZINC001101395806 1245759275 /nfs/dbraw/zinc/75/92/75/1245759275.db2.gz PWWONLWVUYRRIX-QUCCMNQESA-N 2 1 333.520 2.302 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@]2(C)C1 ZINC001101395806 1245759280 /nfs/dbraw/zinc/75/92/80/1245759280.db2.gz PWWONLWVUYRRIX-QUCCMNQESA-N 2 1 333.520 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053054125 1245782508 /nfs/dbraw/zinc/78/25/08/1245782508.db2.gz IEUPYOBEUBGTIP-PMACEKPBSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055274 1245785276 /nfs/dbraw/zinc/78/52/76/1245785276.db2.gz WQRRKTDCDRXDSJ-MOPGFXCFSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055274 1245785283 /nfs/dbraw/zinc/78/52/83/1245785283.db2.gz WQRRKTDCDRXDSJ-MOPGFXCFSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053086090 1245860946 /nfs/dbraw/zinc/86/09/46/1245860946.db2.gz AYFMXPBDPBWSRF-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053086090 1245860953 /nfs/dbraw/zinc/86/09/53/1245860953.db2.gz AYFMXPBDPBWSRF-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053086090 1245860961 /nfs/dbraw/zinc/86/09/61/1245860961.db2.gz AYFMXPBDPBWSRF-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053101394 1245908812 /nfs/dbraw/zinc/90/88/12/1245908812.db2.gz NJZSZJHKDDQQNZ-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001101546867 1245949859 /nfs/dbraw/zinc/94/98/59/1245949859.db2.gz VCGDXCFNCOCCLY-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072983172 1255546028 /nfs/dbraw/zinc/54/60/28/1255546028.db2.gz MSKADESZWFDWNP-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072983172 1255546033 /nfs/dbraw/zinc/54/60/33/1255546033.db2.gz MSKADESZWFDWNP-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC(C)C)C3)CC1 ZINC001099174537 1257993685 /nfs/dbraw/zinc/99/36/85/1257993685.db2.gz RVFNUVKUMKQLMC-FPOVZHCZSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099241355 1258029297 /nfs/dbraw/zinc/02/92/97/1258029297.db2.gz ZFVWXWIMJHLZCH-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099241355 1258029304 /nfs/dbraw/zinc/02/93/04/1258029304.db2.gz ZFVWXWIMJHLZCH-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099241355 1258029313 /nfs/dbraw/zinc/02/93/13/1258029313.db2.gz ZFVWXWIMJHLZCH-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C(F)(F)F ZINC001099263679 1258050992 /nfs/dbraw/zinc/05/09/92/1258050992.db2.gz WBQGFEYCUAUNMD-RBSFLKMASA-N 2 1 347.425 2.129 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186598075 1279170245 /nfs/dbraw/zinc/17/02/45/1279170245.db2.gz OFPRBOWCZWIVSH-GOSISDBHSA-N 2 1 333.520 2.302 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190722661 1281032158 /nfs/dbraw/zinc/03/21/58/1281032158.db2.gz FPIICGRVOBQFNG-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190722661 1281032167 /nfs/dbraw/zinc/03/21/67/1281032167.db2.gz FPIICGRVOBQFNG-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190722661 1281032181 /nfs/dbraw/zinc/03/21/81/1281032181.db2.gz FPIICGRVOBQFNG-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190722661 1281032193 /nfs/dbraw/zinc/03/21/93/1281032193.db2.gz FPIICGRVOBQFNG-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190722661 1281032202 /nfs/dbraw/zinc/03/22/02/1281032202.db2.gz FPIICGRVOBQFNG-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001192190890 1281848320 /nfs/dbraw/zinc/84/83/20/1281848320.db2.gz VCWZLZPVWXAFBQ-WOJBJXKFSA-N 2 1 341.499 2.157 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001193600812 1282627033 /nfs/dbraw/zinc/62/70/33/1282627033.db2.gz MELVSTPMYXRYTH-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001193600812 1282627050 /nfs/dbraw/zinc/62/70/50/1282627050.db2.gz MELVSTPMYXRYTH-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001193600812 1282627061 /nfs/dbraw/zinc/62/70/61/1282627061.db2.gz MELVSTPMYXRYTH-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC/C=C/CC)C2)CC1 ZINC001194246913 1282957194 /nfs/dbraw/zinc/95/71/94/1282957194.db2.gz SXAAOEGOKNYNOA-GHOSXJJBSA-N 2 1 331.504 2.221 20 30 EEEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198983991 1285460005 /nfs/dbraw/zinc/46/00/05/1285460005.db2.gz LLBNOFLRQJCLMX-AEFFLSMTSA-N 2 1 345.487 2.360 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001071086202 1286761589 /nfs/dbraw/zinc/76/15/89/1286761589.db2.gz UXVAGHZWSMTBKJ-HQRMLTQVSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071973988 1295056875 /nfs/dbraw/zinc/05/68/75/1295056875.db2.gz JTMZOOCJTOAKGP-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCC3CC3)C2)CC1 ZINC001072095583 1295237527 /nfs/dbraw/zinc/23/75/27/1295237527.db2.gz KWCXXEHJCCDYDO-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213525234 1296069400 /nfs/dbraw/zinc/06/94/00/1296069400.db2.gz XHOPUJYRYZLQFF-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467394 1298934670 /nfs/dbraw/zinc/93/46/70/1298934670.db2.gz HUTUWBZOLZIQPC-AKHDSKFASA-N 2 1 331.504 2.242 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467394 1298934672 /nfs/dbraw/zinc/93/46/72/1298934672.db2.gz HUTUWBZOLZIQPC-AKHDSKFASA-N 2 1 331.504 2.242 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001221770324 1299072116 /nfs/dbraw/zinc/07/21/16/1299072116.db2.gz ILWQTYCHTQBAEF-ZIFCJYIRSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001221770324 1299072124 /nfs/dbraw/zinc/07/21/24/1299072124.db2.gz ILWQTYCHTQBAEF-ZIFCJYIRSA-N 2 1 342.487 2.253 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899546 1299473877 /nfs/dbraw/zinc/47/38/77/1299473877.db2.gz VHLWFEJKMLUSRB-IAGOWNOFSA-N 2 1 341.540 2.239 20 30 EEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899546 1299473888 /nfs/dbraw/zinc/47/38/88/1299473888.db2.gz VHLWFEJKMLUSRB-IAGOWNOFSA-N 2 1 341.540 2.239 20 30 EEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099899546 1299473897 /nfs/dbraw/zinc/47/38/97/1299473897.db2.gz VHLWFEJKMLUSRB-IAGOWNOFSA-N 2 1 341.540 2.239 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223684927 1300225351 /nfs/dbraw/zinc/22/53/51/1300225351.db2.gz YUZGYLQEHGSCDU-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223684927 1300225360 /nfs/dbraw/zinc/22/53/60/1300225360.db2.gz YUZGYLQEHGSCDU-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001102601238 1301275918 /nfs/dbraw/zinc/27/59/18/1301275918.db2.gz SKNVDZDQGBRWID-UYAOXDASSA-N 2 1 341.499 2.062 20 30 EEEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001102601238 1301275921 /nfs/dbraw/zinc/27/59/21/1301275921.db2.gz SKNVDZDQGBRWID-UYAOXDASSA-N 2 1 341.499 2.062 20 30 EEEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001102601238 1301275926 /nfs/dbraw/zinc/27/59/26/1301275926.db2.gz SKNVDZDQGBRWID-UYAOXDASSA-N 2 1 341.499 2.062 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001103007783 1302058635 /nfs/dbraw/zinc/05/86/35/1302058635.db2.gz WRGXGVKMAVPXLK-KZNAEPCWSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001103007783 1302058640 /nfs/dbraw/zinc/05/86/40/1302058640.db2.gz WRGXGVKMAVPXLK-KZNAEPCWSA-N 2 1 344.503 2.494 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001229340183 1302736311 /nfs/dbraw/zinc/73/63/11/1302736311.db2.gz JHFUQCPOZOKMND-QZTJIDSGSA-N 2 1 339.443 2.474 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001230373819 1303181036 /nfs/dbraw/zinc/18/10/36/1303181036.db2.gz BGVQPNRYJYGUJA-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001230373819 1303181043 /nfs/dbraw/zinc/18/10/43/1303181043.db2.gz BGVQPNRYJYGUJA-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001277779790 1304386535 /nfs/dbraw/zinc/38/65/35/1304386535.db2.gz RENHQPQXJRPJDC-IZZQQSIFSA-N 2 1 333.520 2.463 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001112444031 1304554132 /nfs/dbraw/zinc/55/41/32/1304554132.db2.gz AOGZKPSNQWOFAI-ZJOUEHCJSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115592166 1305465958 /nfs/dbraw/zinc/46/59/58/1305465958.db2.gz WYRAZAARLRTYGR-MSOLQXFVSA-N 2 1 331.504 2.435 20 30 EEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115594022 1305471052 /nfs/dbraw/zinc/47/10/52/1305471052.db2.gz VCQPMNGQSVEAET-IAGOWNOFSA-N 2 1 337.508 2.080 20 30 EEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115594022 1305471058 /nfs/dbraw/zinc/47/10/58/1305471058.db2.gz VCQPMNGQSVEAET-IAGOWNOFSA-N 2 1 337.508 2.080 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCCCC1 ZINC001115696046 1305629841 /nfs/dbraw/zinc/62/98/41/1305629841.db2.gz CZOLSUKMFPHTSG-QGZVFWFLSA-N 2 1 342.487 2.186 20 30 EEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001121133883 1309926831 /nfs/dbraw/zinc/92/68/31/1309926831.db2.gz JXDZJQLHZOMYMX-XYLATYTLSA-N 2 1 328.460 2.047 20 30 EEEDMP CCCCCCCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C(=O)OCC ZINC001245981792 1310201148 /nfs/dbraw/zinc/20/11/48/1310201148.db2.gz MLNPWWDCRNYVKG-GVDBMIGSSA-N 2 1 328.497 2.229 20 30 EEEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122243063 1310247466 /nfs/dbraw/zinc/24/74/66/1310247466.db2.gz ZBSJKXSNLCWPRF-QAELIBMJSA-N 2 1 349.519 2.080 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150022470 1316129548 /nfs/dbraw/zinc/12/95/48/1316129548.db2.gz NUFXLGBQFRIIQK-RBUKOAKNSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368494 1316818833 /nfs/dbraw/zinc/81/88/33/1316818833.db2.gz RGZSTIRRJQEEOZ-QGZVFWFLSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CCOC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001251840711 1317508105 /nfs/dbraw/zinc/50/81/05/1317508105.db2.gz SOJPGCFVQYBQRR-KRWDZBQOSA-N 2 1 348.512 2.047 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155839211 1317759185 /nfs/dbraw/zinc/75/91/85/1317759185.db2.gz SBGWOYZOVOWOMS-QGZVFWFLSA-N 2 1 347.503 2.391 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200092 1317917508 /nfs/dbraw/zinc/91/75/08/1317917508.db2.gz JQIVUFLVBGDOTP-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200092 1317917510 /nfs/dbraw/zinc/91/75/10/1317917510.db2.gz JQIVUFLVBGDOTP-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)cc1F ZINC001156200092 1317917513 /nfs/dbraw/zinc/91/75/13/1317917513.db2.gz JQIVUFLVBGDOTP-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1F ZINC001156200092 1317917514 /nfs/dbraw/zinc/91/75/14/1317917514.db2.gz JQIVUFLVBGDOTP-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C#N)c(F)c1 ZINC001156524850 1318053600 /nfs/dbraw/zinc/05/36/00/1318053600.db2.gz DOLXYMRMIYRQHJ-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC001156524850 1318053607 /nfs/dbraw/zinc/05/36/07/1318053607.db2.gz DOLXYMRMIYRQHJ-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC001156524850 1318053616 /nfs/dbraw/zinc/05/36/16/1318053616.db2.gz DOLXYMRMIYRQHJ-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001157973773 1318955383 /nfs/dbraw/zinc/95/53/83/1318955383.db2.gz OAVRYUYXFXHCAO-IAGOWNOFSA-N 2 1 330.476 2.343 20 30 EEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001157973773 1318955386 /nfs/dbraw/zinc/95/53/86/1318955386.db2.gz OAVRYUYXFXHCAO-IAGOWNOFSA-N 2 1 330.476 2.343 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(N2CCCC2)cc(C)[nH+]1 ZINC001159918407 1320021044 /nfs/dbraw/zinc/02/10/44/1320021044.db2.gz ATTLFODQAPLORI-HNNXBMFYSA-N 2 1 347.463 2.024 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1)C1CCC1 ZINC001159997660 1320045568 /nfs/dbraw/zinc/04/55/68/1320045568.db2.gz XCEAMTVELIJYJK-UHFFFAOYSA-N 2 1 347.890 2.272 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001160197682 1320096798 /nfs/dbraw/zinc/09/67/98/1320096798.db2.gz CPBSBWRWRZGHGR-KRWDZBQOSA-N 2 1 333.863 2.034 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001160197682 1320096799 /nfs/dbraw/zinc/09/67/99/1320096799.db2.gz CPBSBWRWRZGHGR-KRWDZBQOSA-N 2 1 333.863 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001160209217 1320099879 /nfs/dbraw/zinc/09/98/79/1320099879.db2.gz DOOFIWUUTGCINO-HKUYNNGSSA-N 2 1 327.472 2.250 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001160209217 1320099885 /nfs/dbraw/zinc/09/98/85/1320099885.db2.gz DOOFIWUUTGCINO-HKUYNNGSSA-N 2 1 327.472 2.250 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001160209547 1320099980 /nfs/dbraw/zinc/09/99/80/1320099980.db2.gz PXBRLDLJYQTDSR-OALUTQOASA-N 2 1 345.462 2.470 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001160209547 1320099983 /nfs/dbraw/zinc/09/99/83/1320099983.db2.gz PXBRLDLJYQTDSR-OALUTQOASA-N 2 1 345.462 2.470 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160474016 1320172283 /nfs/dbraw/zinc/17/22/83/1320172283.db2.gz WPEWJITXDLDMER-RTBURBONSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160474016 1320172286 /nfs/dbraw/zinc/17/22/86/1320172286.db2.gz WPEWJITXDLDMER-RTBURBONSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160474016 1320172288 /nfs/dbraw/zinc/17/22/88/1320172288.db2.gz WPEWJITXDLDMER-RTBURBONSA-N 2 1 329.488 2.165 20 30 EEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001160997988 1320348464 /nfs/dbraw/zinc/34/84/64/1320348464.db2.gz ZRFJNTAIYLUAEG-LJQANCHMSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160997988 1320348469 /nfs/dbraw/zinc/34/84/69/1320348469.db2.gz ZRFJNTAIYLUAEG-LJQANCHMSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160997988 1320348472 /nfs/dbraw/zinc/34/84/72/1320348472.db2.gz ZRFJNTAIYLUAEG-LJQANCHMSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001162934945 1320991024 /nfs/dbraw/zinc/99/10/24/1320991024.db2.gz MIZZOMGWJYABLD-QUCCMNQESA-N 2 1 343.515 2.421 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001166677599 1321762604 /nfs/dbraw/zinc/76/26/04/1321762604.db2.gz KQLFQXSTQIKSLB-INIZCTEOSA-N 2 1 347.890 2.129 20 30 EEEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001203815133 1321966631 /nfs/dbraw/zinc/96/66/31/1321966631.db2.gz MPNMZCQSYNGZLA-SFHVURJKSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203815133 1321966635 /nfs/dbraw/zinc/96/66/35/1321966635.db2.gz MPNMZCQSYNGZLA-SFHVURJKSA-N 2 1 339.524 2.258 20 30 EEEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869115 1323647873 /nfs/dbraw/zinc/64/78/73/1323647873.db2.gz SNTWGCVDTTVMHH-LJQANCHMSA-N 2 1 327.472 2.141 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953407 1323739271 /nfs/dbraw/zinc/73/92/71/1323739271.db2.gz IXKZIPZMINJHMZ-LJQANCHMSA-N 2 1 327.472 2.141 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210243471 1325211863 /nfs/dbraw/zinc/21/18/63/1325211863.db2.gz LKKZUCMXWGUZTA-BHIYHBOVSA-N 2 1 327.472 2.139 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243471 1325211867 /nfs/dbraw/zinc/21/18/67/1325211867.db2.gz LKKZUCMXWGUZTA-BHIYHBOVSA-N 2 1 327.472 2.139 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243471 1325211878 /nfs/dbraw/zinc/21/18/78/1325211878.db2.gz LKKZUCMXWGUZTA-BHIYHBOVSA-N 2 1 327.472 2.139 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200478390 1338356345 /nfs/dbraw/zinc/35/63/45/1338356345.db2.gz ISOCUHFLPGUIAS-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001574925294 1343712705 /nfs/dbraw/zinc/71/27/05/1343712705.db2.gz MKKXGOQULPYGOJ-ZACQAIPSSA-N 2 1 346.523 2.445 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135029867 1367997056 /nfs/dbraw/zinc/99/70/56/1367997056.db2.gz UCQXTCVZDWBZQR-CABCVRRESA-N 2 1 339.443 2.136 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001193600304 1368465889 /nfs/dbraw/zinc/46/58/89/1368465889.db2.gz CEEYMPPKSMSYDL-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001193600304 1368465892 /nfs/dbraw/zinc/46/58/92/1368465892.db2.gz CEEYMPPKSMSYDL-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC001193600304 1368465902 /nfs/dbraw/zinc/46/59/02/1368465902.db2.gz CEEYMPPKSMSYDL-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC001193600304 1368465907 /nfs/dbraw/zinc/46/59/07/1368465907.db2.gz CEEYMPPKSMSYDL-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C[N@@H+](CC(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001100410637 1373037885 /nfs/dbraw/zinc/03/78/85/1373037885.db2.gz GKCBUKDVALCBCH-UHFFFAOYSA-N 2 1 339.483 2.007 20 30 EEEDMP C[C@H]1C[N@@H+](CCC[NH+]=C(NCc2ccccc2)N(C)C)CCCO1 ZINC000849104687 1373241065 /nfs/dbraw/zinc/24/10/65/1373241065.db2.gz UKWLIYMSOGQSPA-KRWDZBQOSA-N 2 1 332.492 2.195 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001366185176 1373824937 /nfs/dbraw/zinc/82/49/37/1373824937.db2.gz FKSBUUILGMCNIF-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001366185176 1373824943 /nfs/dbraw/zinc/82/49/43/1373824943.db2.gz FKSBUUILGMCNIF-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001366185176 1373824948 /nfs/dbraw/zinc/82/49/48/1373824948.db2.gz FKSBUUILGMCNIF-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)s1 ZINC001366531990 1373939944 /nfs/dbraw/zinc/93/99/44/1373939944.db2.gz XHSCIDNJKPHRFW-INIZCTEOSA-N 2 1 334.489 2.041 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)s1 ZINC001366531990 1373939950 /nfs/dbraw/zinc/93/99/50/1373939950.db2.gz XHSCIDNJKPHRFW-INIZCTEOSA-N 2 1 334.489 2.041 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001366531990 1373939956 /nfs/dbraw/zinc/93/99/56/1373939956.db2.gz XHSCIDNJKPHRFW-INIZCTEOSA-N 2 1 334.489 2.041 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001366531990 1373939959 /nfs/dbraw/zinc/93/99/59/1373939959.db2.gz XHSCIDNJKPHRFW-INIZCTEOSA-N 2 1 334.489 2.041 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001368067693 1374332211 /nfs/dbraw/zinc/33/22/11/1374332211.db2.gz QKBPJTVIWQGSLL-QGZVFWFLSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001368067693 1374332214 /nfs/dbraw/zinc/33/22/14/1374332214.db2.gz QKBPJTVIWQGSLL-QGZVFWFLSA-N 2 1 327.900 2.395 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001372675309 1376131429 /nfs/dbraw/zinc/13/14/29/1376131429.db2.gz ZITPQIYJAXLLEO-APWZRJJASA-N 2 1 342.487 2.083 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001372675311 1376131994 /nfs/dbraw/zinc/13/19/94/1376131994.db2.gz ZITPQIYJAXLLEO-LPHOPBHVSA-N 2 1 342.487 2.083 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001375102020 1377371140 /nfs/dbraw/zinc/37/11/40/1377371140.db2.gz KTDHEIILOVBMME-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](C[NH+](C)Cc1ccc(C#N)cc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001375102020 1377371146 /nfs/dbraw/zinc/37/11/46/1377371146.db2.gz KTDHEIILOVBMME-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](C[NH+](C)Cc1ccc(C#N)cc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001375102020 1377371151 /nfs/dbraw/zinc/37/11/51/1377371151.db2.gz KTDHEIILOVBMME-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001377488493 1379287982 /nfs/dbraw/zinc/28/79/82/1379287982.db2.gz JTMHENHVDSDMET-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC001377488493 1379287990 /nfs/dbraw/zinc/28/79/90/1379287990.db2.gz JTMHENHVDSDMET-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC001377488493 1379287997 /nfs/dbraw/zinc/28/79/97/1379287997.db2.gz JTMHENHVDSDMET-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001380670366 1381330577 /nfs/dbraw/zinc/33/05/77/1381330577.db2.gz NNYPNFWITQNRSE-CABCVRRESA-N 2 1 348.516 2.288 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001391635796 1389488264 /nfs/dbraw/zinc/48/82/64/1389488264.db2.gz QEFCGAAZPZXCIR-OALUTQOASA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001391635796 1389488269 /nfs/dbraw/zinc/48/82/69/1389488269.db2.gz QEFCGAAZPZXCIR-OALUTQOASA-N 2 1 342.487 2.177 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CCCCC)C3)C2)CC1 ZINC001754568168 1406927724 /nfs/dbraw/zinc/92/77/24/1406927724.db2.gz AYUVLQOCRBQAEW-OAQYLSRUSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001755072338 1407081416 /nfs/dbraw/zinc/08/14/16/1407081416.db2.gz GUCWVFOFFPVFJZ-IBGZPJMESA-N 2 1 337.483 2.193 20 30 EEEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001755072339 1407081626 /nfs/dbraw/zinc/08/16/26/1407081626.db2.gz GUCWVFOFFPVFJZ-LJQANCHMSA-N 2 1 337.483 2.193 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001423340091 1400535175 /nfs/dbraw/zinc/53/51/75/1400535175.db2.gz BDYVHOUXHTVKEW-RDJZCZTQSA-N 2 1 335.879 2.450 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001423340091 1400535179 /nfs/dbraw/zinc/53/51/79/1400535179.db2.gz BDYVHOUXHTVKEW-RDJZCZTQSA-N 2 1 335.879 2.450 20 30 EEEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001733836559 1406017592 /nfs/dbraw/zinc/01/75/92/1406017592.db2.gz ZLABQCIZFJXZMM-IBGZPJMESA-N 2 1 327.472 2.228 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001755507495 1407555714 /nfs/dbraw/zinc/55/57/14/1407555714.db2.gz FLGJARYEJHKHMK-HNNXBMFYSA-N 2 1 339.443 2.138 20 30 EEEDMP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001755548713 1407624134 /nfs/dbraw/zinc/62/41/34/1407624134.db2.gz MDEKCULSTJPMJS-UXHICEINSA-N 2 1 341.499 2.253 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075449443 760424981 /nfs/dbraw/zinc/42/49/81/760424981.db2.gz JDXUUYGPSHRAIF-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449443 760424986 /nfs/dbraw/zinc/42/49/86/760424986.db2.gz JDXUUYGPSHRAIF-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449443 760424988 /nfs/dbraw/zinc/42/49/88/760424988.db2.gz JDXUUYGPSHRAIF-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@H]2C1 ZINC001087985810 782712484 /nfs/dbraw/zinc/71/24/84/782712484.db2.gz GDLIZVLFBAYJAF-IKGGRYGDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087985810 782712490 /nfs/dbraw/zinc/71/24/90/782712490.db2.gz GDLIZVLFBAYJAF-IKGGRYGDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087985810 782712497 /nfs/dbraw/zinc/71/24/97/782712497.db2.gz GDLIZVLFBAYJAF-IKGGRYGDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087985810 782712502 /nfs/dbraw/zinc/71/25/02/782712502.db2.gz GDLIZVLFBAYJAF-IKGGRYGDSA-N 2 1 339.911 2.394 20 30 EEEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000190537846 769329501 /nfs/dbraw/zinc/32/95/01/769329501.db2.gz RTOBWJWXLNUXOU-PKOBYXMFSA-N 2 1 344.503 2.324 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064296 782841397 /nfs/dbraw/zinc/84/13/97/782841397.db2.gz WLZRUTKYOCWYCS-CVEARBPZSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064296 782841401 /nfs/dbraw/zinc/84/14/01/782841401.db2.gz WLZRUTKYOCWYCS-CVEARBPZSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001088211605 783062361 /nfs/dbraw/zinc/06/23/61/783062361.db2.gz RKOXURBAFQPVTR-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]2C1 ZINC001088211605 783062364 /nfs/dbraw/zinc/06/23/64/783062364.db2.gz RKOXURBAFQPVTR-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001088211605 783062368 /nfs/dbraw/zinc/06/23/68/783062368.db2.gz RKOXURBAFQPVTR-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088211605 783062374 /nfs/dbraw/zinc/06/23/74/783062374.db2.gz RKOXURBAFQPVTR-IXDOHACOSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=C)Cl)[C@@H](C)C2)CC1 ZINC000948070534 773454377 /nfs/dbraw/zinc/45/43/77/773454377.db2.gz QBGKNWFQKKQTAN-RDJZCZTQSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)Cl)[C@@H](C)C2)CC1 ZINC000948070534 773454379 /nfs/dbraw/zinc/45/43/79/773454379.db2.gz QBGKNWFQKKQTAN-RDJZCZTQSA-N 2 1 337.895 2.053 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089869543 783130160 /nfs/dbraw/zinc/13/01/60/783130160.db2.gz LWLVDOBCAVZYKP-MANSERQUSA-N 2 1 331.504 2.073 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980143935 773941460 /nfs/dbraw/zinc/94/14/60/773941460.db2.gz OKOOOOIOYKXQNJ-JYJNAYRXSA-N 2 1 336.867 2.161 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980143935 773941462 /nfs/dbraw/zinc/94/14/62/773941462.db2.gz OKOOOOIOYKXQNJ-JYJNAYRXSA-N 2 1 336.867 2.161 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980186583 774047214 /nfs/dbraw/zinc/04/72/14/774047214.db2.gz JXXUQLLOYOBGCS-KSZLIROESA-N 2 1 342.487 2.247 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980186583 774047221 /nfs/dbraw/zinc/04/72/21/774047221.db2.gz JXXUQLLOYOBGCS-KSZLIROESA-N 2 1 342.487 2.247 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033256535 783181035 /nfs/dbraw/zinc/18/10/35/783181035.db2.gz WLMZOGGPPPGTPU-QGZVFWFLSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1ncc[nH]1 ZINC001089802381 775829964 /nfs/dbraw/zinc/82/99/64/775829964.db2.gz FJVWNVQSZSQRNI-JJXSEGSLSA-N 2 1 348.878 2.264 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2cnc[nH]2)C1 ZINC001089820716 776950495 /nfs/dbraw/zinc/95/04/95/776950495.db2.gz OGUUPOKJMOBPAY-WNHJNPCNSA-N 2 1 342.487 2.477 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2cnc[nH]2)C1 ZINC001089820716 776950499 /nfs/dbraw/zinc/95/04/99/776950499.db2.gz OGUUPOKJMOBPAY-WNHJNPCNSA-N 2 1 342.487 2.477 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001089824046 777047369 /nfs/dbraw/zinc/04/73/69/777047369.db2.gz IVEOYVNKADZUHX-MANSERQUSA-N 2 1 343.515 2.217 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089831990 777327362 /nfs/dbraw/zinc/32/73/62/777327362.db2.gz PWZFSDLNRPTNJF-OKYOBFRVSA-N 2 1 343.515 2.360 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052597 778999707 /nfs/dbraw/zinc/99/97/07/778999707.db2.gz RINBGCJCZSLAFC-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946803459 783475520 /nfs/dbraw/zinc/47/55/20/783475520.db2.gz HDSJXIIQRBVFEU-CALCHBBNSA-N 2 1 330.476 2.363 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946803459 783475526 /nfs/dbraw/zinc/47/55/26/783475526.db2.gz HDSJXIIQRBVFEU-CALCHBBNSA-N 2 1 330.476 2.363 20 30 EEEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193599 784082003 /nfs/dbraw/zinc/08/20/03/784082003.db2.gz IGGHIDZOPQIWFP-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193599 784082012 /nfs/dbraw/zinc/08/20/12/784082012.db2.gz IGGHIDZOPQIWFP-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193599 784082021 /nfs/dbraw/zinc/08/20/21/784082021.db2.gz IGGHIDZOPQIWFP-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCCC)C2)CC1 ZINC001035195436 784087538 /nfs/dbraw/zinc/08/75/38/784087538.db2.gz WELADOZFIHKXGE-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCCC)C2)CC1 ZINC001035195436 784087544 /nfs/dbraw/zinc/08/75/44/784087544.db2.gz WELADOZFIHKXGE-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCCC)C2)CC1 ZINC001035195436 784087550 /nfs/dbraw/zinc/08/75/50/784087550.db2.gz WELADOZFIHKXGE-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCCC)C2)CC1 ZINC001035195436 784087555 /nfs/dbraw/zinc/08/75/55/784087555.db2.gz WELADOZFIHKXGE-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035225867 784110113 /nfs/dbraw/zinc/11/01/13/784110113.db2.gz BKKPFCGONZDOAY-HOCLYGCPSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035225867 784110121 /nfs/dbraw/zinc/11/01/21/784110121.db2.gz BKKPFCGONZDOAY-HOCLYGCPSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035225867 784110123 /nfs/dbraw/zinc/11/01/23/784110123.db2.gz BKKPFCGONZDOAY-HOCLYGCPSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035395431 784440340 /nfs/dbraw/zinc/44/03/40/784440340.db2.gz WNPNRSLBBIFUOY-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001035395431 784440342 /nfs/dbraw/zinc/44/03/42/784440342.db2.gz WNPNRSLBBIFUOY-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001035395431 784440347 /nfs/dbraw/zinc/44/03/47/784440347.db2.gz WNPNRSLBBIFUOY-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135858091 784641074 /nfs/dbraw/zinc/64/10/74/784641074.db2.gz SJTZAOIZMOOYRQ-MSOLQXFVSA-N 2 1 329.488 2.253 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442891 787253671 /nfs/dbraw/zinc/25/36/71/787253671.db2.gz PVBQZOGUOMLZOI-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442891 787253676 /nfs/dbraw/zinc/25/36/76/787253676.db2.gz PVBQZOGUOMLZOI-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442891 787253679 /nfs/dbraw/zinc/25/36/79/787253679.db2.gz PVBQZOGUOMLZOI-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109646193 805820315 /nfs/dbraw/zinc/82/03/15/805820315.db2.gz MOHIPPJLQDZOSX-FPAYPSAMSA-N 2 1 342.487 2.442 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109646193 805820324 /nfs/dbraw/zinc/82/03/24/805820324.db2.gz MOHIPPJLQDZOSX-FPAYPSAMSA-N 2 1 342.487 2.442 20 30 EEEDMP C=CCCC[NH+]1CC(OC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001105713390 789136470 /nfs/dbraw/zinc/13/64/70/789136470.db2.gz BXUJQXFRJMIDCS-UHFFFAOYSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c(OC)c1 ZINC000923370453 789447182 /nfs/dbraw/zinc/44/71/82/789447182.db2.gz OUYXWIKGYGZXGY-JTWUUNPKSA-N 2 1 348.487 2.140 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946902104 789569644 /nfs/dbraw/zinc/56/96/44/789569644.db2.gz JWRKFJQGKSONNN-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902104 789569650 /nfs/dbraw/zinc/56/96/50/789569650.db2.gz JWRKFJQGKSONNN-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902104 789569659 /nfs/dbraw/zinc/56/96/59/789569659.db2.gz JWRKFJQGKSONNN-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC/C=C\CCC)C2 ZINC001147737438 791937405 /nfs/dbraw/zinc/93/74/05/791937405.db2.gz ZYWKZJXAFDTFAO-RURPWVQCSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC/C=C\CCC)C2 ZINC001147737438 791937410 /nfs/dbraw/zinc/93/74/10/791937410.db2.gz ZYWKZJXAFDTFAO-RURPWVQCSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC/C=C\CCC)C2 ZINC001147737438 791937412 /nfs/dbraw/zinc/93/74/12/791937412.db2.gz ZYWKZJXAFDTFAO-RURPWVQCSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC/C=C\CCC)C2 ZINC001147737438 791937415 /nfs/dbraw/zinc/93/74/15/791937415.db2.gz ZYWKZJXAFDTFAO-RURPWVQCSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC/C=C\CCC)C2 ZINC001147737438 791937417 /nfs/dbraw/zinc/93/74/17/791937417.db2.gz ZYWKZJXAFDTFAO-RURPWVQCSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCCCC)C2 ZINC001147737417 791937606 /nfs/dbraw/zinc/93/76/06/791937606.db2.gz XLDGQARVDXXPBX-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCCCC)C2 ZINC001147737417 791937611 /nfs/dbraw/zinc/93/76/11/791937611.db2.gz XLDGQARVDXXPBX-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCCCC)C2 ZINC001147737417 791937614 /nfs/dbraw/zinc/93/76/14/791937614.db2.gz XLDGQARVDXXPBX-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCCCC)C2 ZINC001147737417 791937620 /nfs/dbraw/zinc/93/76/20/791937620.db2.gz XLDGQARVDXXPBX-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCCCC)C2 ZINC001147737417 791937626 /nfs/dbraw/zinc/93/76/26/791937626.db2.gz XLDGQARVDXXPBX-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001147822849 791982182 /nfs/dbraw/zinc/98/21/82/791982182.db2.gz BUWWACHXFOXXMG-KSSFIOAISA-N 2 1 346.450 2.024 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000998118921 791998751 /nfs/dbraw/zinc/99/87/51/791998751.db2.gz YIAIPPQSJBQNCU-HZPDHXFCSA-N 2 1 328.460 2.166 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001148571064 792544993 /nfs/dbraw/zinc/54/49/93/792544993.db2.gz UUVXGKZQVVRHLV-UHFFFAOYSA-N 2 1 335.879 2.129 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001086932480 793066959 /nfs/dbraw/zinc/06/69/59/793066959.db2.gz MAOQHJLJZXTICN-INIZCTEOSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015144 793507817 /nfs/dbraw/zinc/50/78/17/793507817.db2.gz KJYGDPSNLKMKPV-QAPCUYQASA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015144 793507822 /nfs/dbraw/zinc/50/78/22/793507822.db2.gz KJYGDPSNLKMKPV-QAPCUYQASA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015144 793507823 /nfs/dbraw/zinc/50/78/23/793507823.db2.gz KJYGDPSNLKMKPV-QAPCUYQASA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015144 793507829 /nfs/dbraw/zinc/50/78/29/793507829.db2.gz KJYGDPSNLKMKPV-QAPCUYQASA-N 2 1 339.911 2.251 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992311467 793631009 /nfs/dbraw/zinc/63/10/09/793631009.db2.gz AFOGVCDSDQTBOH-TZIWHRDSSA-N 2 1 339.483 2.498 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303121 793779351 /nfs/dbraw/zinc/77/93/51/793779351.db2.gz SXGSIPBPYBBJTG-GGPKGHCWSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000999350014 794343775 /nfs/dbraw/zinc/34/37/75/794343775.db2.gz VUBKQZHWCIKOJD-CVEARBPZSA-N 2 1 327.900 2.297 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC000999366651 794369956 /nfs/dbraw/zinc/36/99/56/794369956.db2.gz YVTBURDJOTWDFF-AWEZNQCLSA-N 2 1 346.500 2.185 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000999399794 794385145 /nfs/dbraw/zinc/38/51/45/794385145.db2.gz HIQZGWVZRYBPCR-NFOMZHRRSA-N 2 1 336.867 2.085 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999406110 794420990 /nfs/dbraw/zinc/42/09/90/794420990.db2.gz KGIQPQUUSRBKTB-VNCLNFNDSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCC2CC2)CC3)CC1 ZINC000992509230 794451767 /nfs/dbraw/zinc/45/17/67/794451767.db2.gz MYAKMUREFZVPQY-TZIWHRDSSA-N 2 1 343.515 2.245 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001079300978 794539258 /nfs/dbraw/zinc/53/92/58/794539258.db2.gz YFVFTVFRYNZOSF-UHOSZYNNSA-N 2 1 345.462 2.380 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999515867 794572462 /nfs/dbraw/zinc/57/24/62/794572462.db2.gz ZRBQVODTJROESL-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036810434 795215939 /nfs/dbraw/zinc/21/59/39/795215939.db2.gz BKLFQAKRUCPPDY-JKSUJKDBSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820037 795288025 /nfs/dbraw/zinc/28/80/25/795288025.db2.gz BPRRWMBKSUHBFJ-HZPDHXFCSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820037 795288031 /nfs/dbraw/zinc/28/80/31/795288031.db2.gz BPRRWMBKSUHBFJ-HZPDHXFCSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871118 795596251 /nfs/dbraw/zinc/59/62/51/795596251.db2.gz GVVILYYPQRNZOA-WBVHZDCISA-N 2 1 328.460 2.260 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871118 795596255 /nfs/dbraw/zinc/59/62/55/795596255.db2.gz GVVILYYPQRNZOA-WBVHZDCISA-N 2 1 328.460 2.260 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001000331421 795786672 /nfs/dbraw/zinc/78/66/72/795786672.db2.gz FXAGJQBZKXRNMG-AWEZNQCLSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001000331421 795786677 /nfs/dbraw/zinc/78/66/77/795786677.db2.gz FXAGJQBZKXRNMG-AWEZNQCLSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495756 796288320 /nfs/dbraw/zinc/28/83/20/796288320.db2.gz UDIGFUAWRXIKRD-NLWGTHIKSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495756 796288322 /nfs/dbraw/zinc/28/83/22/796288322.db2.gz UDIGFUAWRXIKRD-NLWGTHIKSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495756 796288327 /nfs/dbraw/zinc/28/83/27/796288327.db2.gz UDIGFUAWRXIKRD-NLWGTHIKSA-N 2 1 349.519 2.033 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001110159544 796432434 /nfs/dbraw/zinc/43/24/34/796432434.db2.gz PXBKVQAESYYNRY-QYZOEREBSA-N 2 1 340.471 2.120 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001110159544 796432435 /nfs/dbraw/zinc/43/24/35/796432435.db2.gz PXBKVQAESYYNRY-QYZOEREBSA-N 2 1 340.471 2.120 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001110159544 796432437 /nfs/dbraw/zinc/43/24/37/796432437.db2.gz PXBKVQAESYYNRY-QYZOEREBSA-N 2 1 340.471 2.120 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001110159544 796432438 /nfs/dbraw/zinc/43/24/38/796432438.db2.gz PXBKVQAESYYNRY-QYZOEREBSA-N 2 1 340.471 2.120 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161509 796537201 /nfs/dbraw/zinc/53/72/01/796537201.db2.gz HUTUWBZOLZIQPC-YDZRNGNQSA-N 2 1 331.504 2.242 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161509 796537204 /nfs/dbraw/zinc/53/72/04/796537204.db2.gz HUTUWBZOLZIQPC-YDZRNGNQSA-N 2 1 331.504 2.242 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993820221 797050241 /nfs/dbraw/zinc/05/02/41/797050241.db2.gz JJDRZGOOTDSLNB-RDJZCZTQSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993820221 797050247 /nfs/dbraw/zinc/05/02/47/797050247.db2.gz JJDRZGOOTDSLNB-RDJZCZTQSA-N 2 1 346.475 2.429 20 30 EEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175273265 798064617 /nfs/dbraw/zinc/06/46/17/798064617.db2.gz QUHBIOCHNMSZGY-DOTOQJQBSA-N 2 1 330.476 2.042 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565224 798499232 /nfs/dbraw/zinc/49/92/32/798499232.db2.gz URFKTOLRYVLSQB-CABCVRRESA-N 2 1 348.516 2.336 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049739 798638293 /nfs/dbraw/zinc/63/82/93/798638293.db2.gz VRHHRPMJDJAJGM-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049739 798638298 /nfs/dbraw/zinc/63/82/98/798638298.db2.gz VRHHRPMJDJAJGM-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049739 798638299 /nfs/dbraw/zinc/63/82/99/798638299.db2.gz VRHHRPMJDJAJGM-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1cnc[nH]1 ZINC001177339353 798873090 /nfs/dbraw/zinc/87/30/90/798873090.db2.gz CXVCMRIEUIDRIH-UHFFFAOYSA-N 2 1 330.476 2.364 20 30 EEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001179071192 799768834 /nfs/dbraw/zinc/76/88/34/799768834.db2.gz BSZKTIVNZMIIJS-QPIRBTGLSA-N 2 1 349.519 2.082 20 30 EEEDMP C#CCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180451780 800434871 /nfs/dbraw/zinc/43/48/71/800434871.db2.gz JCIWAAMXXYUIMQ-UHFFFAOYSA-N 2 1 329.488 2.408 20 30 EEEDMP C#CCC[NH2+]CCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001180451780 800434873 /nfs/dbraw/zinc/43/48/73/800434873.db2.gz JCIWAAMXXYUIMQ-UHFFFAOYSA-N 2 1 329.488 2.408 20 30 EEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001182137289 801040506 /nfs/dbraw/zinc/04/05/06/801040506.db2.gz FDSJVFVUHDWUOF-OXQOHEQNSA-N 2 1 344.503 2.412 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001183772806 801729142 /nfs/dbraw/zinc/72/91/42/801729142.db2.gz LLYSVLUGZUUPHK-GOSISDBHSA-N 2 1 345.462 2.098 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086085484 802106830 /nfs/dbraw/zinc/10/68/30/802106830.db2.gz HNACMYFOXFNTIT-CAOSSQGBSA-N 2 1 325.884 2.098 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC[C@H](C)F)C[C@H]2CC1 ZINC000946628237 802369646 /nfs/dbraw/zinc/36/96/46/802369646.db2.gz NHDVUKDCJWZVPJ-OKYOBFRVSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC[C@H](C)F)C[C@H]2CC1 ZINC000946628237 802369657 /nfs/dbraw/zinc/36/96/57/802369657.db2.gz NHDVUKDCJWZVPJ-OKYOBFRVSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@H](C)F)C[C@H]2CC1 ZINC000946628237 802369666 /nfs/dbraw/zinc/36/96/66/802369666.db2.gz NHDVUKDCJWZVPJ-OKYOBFRVSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@H](C)F)C[C@H]2CC1 ZINC000946628237 802369672 /nfs/dbraw/zinc/36/96/72/802369672.db2.gz NHDVUKDCJWZVPJ-OKYOBFRVSA-N 2 1 349.494 2.003 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC[C@@H]2C1 ZINC000946631301 802418344 /nfs/dbraw/zinc/41/83/44/802418344.db2.gz APUWXXBDGUCRIO-YYIAUSFCSA-N 2 1 328.460 2.260 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC[C@@H]2C1 ZINC000946631301 802418350 /nfs/dbraw/zinc/41/83/50/802418350.db2.gz APUWXXBDGUCRIO-YYIAUSFCSA-N 2 1 328.460 2.260 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCO[C@@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001108354987 803358829 /nfs/dbraw/zinc/35/88/29/803358829.db2.gz SNZMIGWHOIZGHK-MJGOQNOKSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354987 803358837 /nfs/dbraw/zinc/35/88/37/803358837.db2.gz SNZMIGWHOIZGHK-MJGOQNOKSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354987 803358845 /nfs/dbraw/zinc/35/88/45/803358845.db2.gz SNZMIGWHOIZGHK-MJGOQNOKSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001108419318 803510288 /nfs/dbraw/zinc/51/02/88/803510288.db2.gz HXFPZDFVOLZUHF-HXUWFJFHSA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001108419318 803510293 /nfs/dbraw/zinc/51/02/93/803510293.db2.gz HXFPZDFVOLZUHF-HXUWFJFHSA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469969 805520784 /nfs/dbraw/zinc/52/07/84/805520784.db2.gz PDFZOVAUBLPGQN-SQNIBIBYSA-N 2 1 328.460 2.206 20 30 EEEDMP COC(=O)[C@@H](CCC[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170361735 809906913 /nfs/dbraw/zinc/90/69/13/809906913.db2.gz CFQONFLWQPQTCR-TVRKMHQQSA-N 2 1 329.444 2.261 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001129771475 810994626 /nfs/dbraw/zinc/99/46/26/810994626.db2.gz YCNZFLDAHRFOBH-NRFANRHFSA-N 2 1 349.478 2.452 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001129771475 810994631 /nfs/dbraw/zinc/99/46/31/810994631.db2.gz YCNZFLDAHRFOBH-NRFANRHFSA-N 2 1 349.478 2.452 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130398928 811610814 /nfs/dbraw/zinc/61/08/14/811610814.db2.gz IFINQDXOCPUVKX-DOTOQJQBSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001437001825 1088760435 /nfs/dbraw/zinc/76/04/35/1088760435.db2.gz LJGPRMPHNZNDKM-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001437001825 1088760450 /nfs/dbraw/zinc/76/04/50/1088760450.db2.gz LJGPRMPHNZNDKM-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001446544191 1101008730 /nfs/dbraw/zinc/00/87/30/1101008730.db2.gz ATKMQDDCNJWNPU-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001446544191 1101008735 /nfs/dbraw/zinc/00/87/35/1101008735.db2.gz ATKMQDDCNJWNPU-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001446544191 1101008743 /nfs/dbraw/zinc/00/87/43/1101008743.db2.gz ATKMQDDCNJWNPU-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001446544191 1101008748 /nfs/dbraw/zinc/00/87/48/1101008748.db2.gz ATKMQDDCNJWNPU-IBGZPJMESA-N 2 1 346.450 2.120 20 30 EEEDMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001447315814 1102435172 /nfs/dbraw/zinc/43/51/72/1102435172.db2.gz BPYLHNSTTGDNBC-PBHICJAKSA-N 2 1 348.516 2.431 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1CC ZINC001087634138 781982990 /nfs/dbraw/zinc/98/29/90/781982990.db2.gz NVVYNPDEGTXIQF-DOTOQJQBSA-N 2 1 334.464 2.285 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1CC ZINC001087634138 781983000 /nfs/dbraw/zinc/98/30/00/781983000.db2.gz NVVYNPDEGTXIQF-DOTOQJQBSA-N 2 1 334.464 2.285 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000566109515 319245980 /nfs/dbraw/zinc/24/59/80/319245980.db2.gz RZYAZINKIPXTBL-ZWKOTPCHSA-N 2 1 331.460 2.008 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000068085232 463090838 /nfs/dbraw/zinc/09/08/38/463090838.db2.gz IKTVZSYIXVXXAS-HDICACEKSA-N 2 1 333.520 2.206 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000171712528 463910718 /nfs/dbraw/zinc/91/07/18/463910718.db2.gz FORXLLISDDVZBQ-QGZVFWFLSA-N 2 1 336.524 2.448 20 30 EEEDMP CCN(C[C@H](C)C#N)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245805709 464516491 /nfs/dbraw/zinc/51/64/91/464516491.db2.gz PYLVDQHITGVROF-LMMKCTJWSA-N 2 1 342.487 2.247 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245897812 464524282 /nfs/dbraw/zinc/52/42/82/464524282.db2.gz PKQIIECNAAFTQD-SJORKVTESA-N 2 1 332.492 2.488 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245897812 464524286 /nfs/dbraw/zinc/52/42/86/464524286.db2.gz PKQIIECNAAFTQD-SJORKVTESA-N 2 1 332.492 2.488 20 30 EEEDMP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249782082 464915879 /nfs/dbraw/zinc/91/58/79/464915879.db2.gz ZZACLGMUBMBJLS-IAGOWNOFSA-N 2 1 327.472 2.146 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1c[nH]c2ccccc12 ZINC000267477534 464934289 /nfs/dbraw/zinc/93/42/89/464934289.db2.gz ZQFPREMQGQPORI-INIZCTEOSA-N 2 1 327.476 2.489 20 30 EEEDMP Cc1n[nH]c([C@H]2CCCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000329478350 465346331 /nfs/dbraw/zinc/34/63/31/465346331.db2.gz QBUQPPSIWSQUSA-HNNXBMFYSA-N 2 1 348.495 2.122 20 30 EEEDMP Cc1nnc([C@H]2CCCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000329478350 465346339 /nfs/dbraw/zinc/34/63/39/465346339.db2.gz QBUQPPSIWSQUSA-HNNXBMFYSA-N 2 1 348.495 2.122 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)c1 ZINC000584108676 468800736 /nfs/dbraw/zinc/80/07/36/468800736.db2.gz NUHRSHAGRRJDFX-BPQIPLTHSA-N 2 1 348.487 2.236 20 30 EEEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1 ZINC000602595816 469377027 /nfs/dbraw/zinc/37/70/27/469377027.db2.gz CWBPCMGTTMILJD-HXUWFJFHSA-N 2 1 336.439 2.200 20 30 EEEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000602595816 469377029 /nfs/dbraw/zinc/37/70/29/469377029.db2.gz CWBPCMGTTMILJD-HXUWFJFHSA-N 2 1 336.439 2.200 20 30 EEEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969679608 675162015 /nfs/dbraw/zinc/16/20/15/675162015.db2.gz HCWZMVQJONBARZ-DLBZAZTESA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969864566 675265819 /nfs/dbraw/zinc/26/58/19/675265819.db2.gz DCOLEHOJJIKUFP-PXNSSMCTSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969864566 675265820 /nfs/dbraw/zinc/26/58/20/675265820.db2.gz DCOLEHOJJIKUFP-PXNSSMCTSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039134500 675635024 /nfs/dbraw/zinc/63/50/24/675635024.db2.gz QIIRIRRZRRQOON-GOSISDBHSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC000971704567 676748339 /nfs/dbraw/zinc/74/83/39/676748339.db2.gz TWCPWVOHLMGALX-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC000971704567 676748341 /nfs/dbraw/zinc/74/83/41/676748341.db2.gz TWCPWVOHLMGALX-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cccc(C)c2)C1 ZINC000971704567 676748344 /nfs/dbraw/zinc/74/83/44/676748344.db2.gz TWCPWVOHLMGALX-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cccc(C)c2)C1 ZINC000971704567 676748345 /nfs/dbraw/zinc/74/83/45/676748345.db2.gz TWCPWVOHLMGALX-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH+]C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262012639 677834620 /nfs/dbraw/zinc/83/46/20/677834620.db2.gz WZLGTELOIWXFAA-RCCFBDPRSA-N 2 1 346.523 2.216 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947497691 678310673 /nfs/dbraw/zinc/31/06/73/678310673.db2.gz LCXZICCSMQPWSY-HUUCEWRRSA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947497691 678310675 /nfs/dbraw/zinc/31/06/75/678310675.db2.gz LCXZICCSMQPWSY-HUUCEWRRSA-N 2 1 325.884 2.336 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001023124862 679134839 /nfs/dbraw/zinc/13/48/39/679134839.db2.gz LSRMDYWIXZKXJR-FDCRZUCXSA-N 2 1 340.471 2.168 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023130119 679136827 /nfs/dbraw/zinc/13/68/27/679136827.db2.gz ATKPOWBROWUSBQ-MJBXVCDLSA-N 2 1 344.297 2.006 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754990 682101450 /nfs/dbraw/zinc/10/14/50/682101450.db2.gz DPAGOBKOAXHNEK-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028754990 682101456 /nfs/dbraw/zinc/10/14/56/682101456.db2.gz DPAGOBKOAXHNEK-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028754990 682101461 /nfs/dbraw/zinc/10/14/61/682101461.db2.gz DPAGOBKOAXHNEK-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028916544 682477467 /nfs/dbraw/zinc/47/74/67/682477467.db2.gz PGMRKUXSFUASLC-INIZCTEOSA-N 2 1 339.911 2.299 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028916544 682477469 /nfs/dbraw/zinc/47/74/69/682477469.db2.gz PGMRKUXSFUASLC-INIZCTEOSA-N 2 1 339.911 2.299 20 30 EEEDMP CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261978197 682712049 /nfs/dbraw/zinc/71/20/49/682712049.db2.gz OETRLPXDXPTANT-XHDPSFHLSA-N 2 1 335.521 2.298 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC000992820193 683534153 /nfs/dbraw/zinc/53/41/53/683534153.db2.gz HQHIGEUOPSRRJE-RCCFBDPRSA-N 2 1 342.487 2.247 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000984046659 684016670 /nfs/dbraw/zinc/01/66/70/684016670.db2.gz GLJYHUGDHKWGRA-CKEIUWERSA-N 2 1 346.500 2.088 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027333634 687520587 /nfs/dbraw/zinc/52/05/87/687520587.db2.gz ZDPOYDPTMOSRAP-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027333634 687520590 /nfs/dbraw/zinc/52/05/90/687520590.db2.gz ZDPOYDPTMOSRAP-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387145 694333220 /nfs/dbraw/zinc/33/32/20/694333220.db2.gz AKLOVLNHMJPDCV-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387145 694333223 /nfs/dbraw/zinc/33/32/23/694333223.db2.gz AKLOVLNHMJPDCV-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387145 694333216 /nfs/dbraw/zinc/33/32/16/694333216.db2.gz AKLOVLNHMJPDCV-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP CC[NH+]=C(NCC1CCSCC1)N1CC[NH+](CC(C)C)CC1 ZINC000086835913 692412551 /nfs/dbraw/zinc/41/25/51/692412551.db2.gz CEYPTXMJJWCKFC-UHFFFAOYSA-N 2 1 326.554 2.369 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244322 692475271 /nfs/dbraw/zinc/47/52/71/692475271.db2.gz ITVCCYRGXNHGSG-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244322 692475273 /nfs/dbraw/zinc/47/52/73/692475273.db2.gz ITVCCYRGXNHGSG-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040244322 692475275 /nfs/dbraw/zinc/47/52/75/692475275.db2.gz ITVCCYRGXNHGSG-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cn(C)c2cc(F)ccc12 ZINC000184653309 1192060935 /nfs/dbraw/zinc/06/09/35/1192060935.db2.gz CVQWSHDDKSHWRB-MRXNPFEDSA-N 2 1 345.466 2.249 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036489 1192959138 /nfs/dbraw/zinc/95/91/38/1192959138.db2.gz MGKVKEVUTPYHHU-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)C[C@H]2C)CC1 ZINC000945181453 1193416289 /nfs/dbraw/zinc/41/62/89/1193416289.db2.gz NFXRLEOGSLTMIM-MJGOQNOKSA-N 2 1 331.504 2.124 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001755851326 1187670273 /nfs/dbraw/zinc/67/02/73/1187670273.db2.gz HTFCXYQFDWMJHN-UONOGXRCSA-N 2 1 335.414 2.273 20 30 EEEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001105470906 1187944112 /nfs/dbraw/zinc/94/41/12/1187944112.db2.gz NSUOMBOZPCRPQE-BOHSKOPMSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+](C)C1CCC1)CCO2 ZINC001105473431 1188023745 /nfs/dbraw/zinc/02/37/45/1188023745.db2.gz WPDQVUUQFADOHX-UHFFFAOYSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)CCC1 ZINC001105563658 1188179620 /nfs/dbraw/zinc/17/96/20/1188179620.db2.gz QPTVWRRESQINPX-GOSISDBHSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)CCC1 ZINC001105563660 1188179749 /nfs/dbraw/zinc/17/97/49/1188179749.db2.gz QPTVWRRESQINPX-SFHVURJKSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001105576519 1188190748 /nfs/dbraw/zinc/19/07/48/1188190748.db2.gz GCDMBNPXQPRCFE-GOSISDBHSA-N 2 1 342.487 2.356 20 30 EEEDMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)CC[NH+]1CCCCC1 ZINC001483422683 1190469646 /nfs/dbraw/zinc/46/96/46/1190469646.db2.gz XZRMJKDHRMVVHR-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)CC[NH+]1CCCCC1 ZINC001483422683 1190469649 /nfs/dbraw/zinc/46/96/49/1190469649.db2.gz XZRMJKDHRMVVHR-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@H]1C ZINC001486092868 1193679187 /nfs/dbraw/zinc/67/91/87/1193679187.db2.gz RVNVKWAVMYMZCD-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818017 1194440887 /nfs/dbraw/zinc/44/08/87/1194440887.db2.gz ALYBXPBUGGNMJF-WCIQWLHISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818017 1194440890 /nfs/dbraw/zinc/44/08/90/1194440890.db2.gz ALYBXPBUGGNMJF-WCIQWLHISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818017 1194440893 /nfs/dbraw/zinc/44/08/93/1194440893.db2.gz ALYBXPBUGGNMJF-WCIQWLHISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CCC(=C)C)C2)CC1 ZINC001034046015 1195697982 /nfs/dbraw/zinc/69/79/82/1195697982.db2.gz OLTNSSWMGNWIOF-IBGZPJMESA-N 2 1 331.504 2.221 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC001034957897 1196918708 /nfs/dbraw/zinc/91/87/08/1196918708.db2.gz OKHHZBDXJBGJNI-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001132269137 1199508460 /nfs/dbraw/zinc/50/84/60/1199508460.db2.gz FVUXIDFAXCRQRI-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001132273829 1199521798 /nfs/dbraw/zinc/52/17/98/1199521798.db2.gz KPBNLGLIJVUQBV-YOEHRIQHSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001132273829 1199521805 /nfs/dbraw/zinc/52/18/05/1199521805.db2.gz KPBNLGLIJVUQBV-YOEHRIQHSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132409867 1199676443 /nfs/dbraw/zinc/67/64/43/1199676443.db2.gz GAPDLVGDJMEWGS-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132409867 1199676444 /nfs/dbraw/zinc/67/64/44/1199676444.db2.gz GAPDLVGDJMEWGS-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001132409867 1199676445 /nfs/dbraw/zinc/67/64/45/1199676445.db2.gz GAPDLVGDJMEWGS-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001132409867 1199676446 /nfs/dbraw/zinc/67/64/46/1199676446.db2.gz GAPDLVGDJMEWGS-GJZGRUSLSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132409813 1199676449 /nfs/dbraw/zinc/67/64/49/1199676449.db2.gz FIIZTINEHDIQIV-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132409813 1199676450 /nfs/dbraw/zinc/67/64/50/1199676450.db2.gz FIIZTINEHDIQIV-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001132409813 1199676451 /nfs/dbraw/zinc/67/64/51/1199676451.db2.gz FIIZTINEHDIQIV-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001132409813 1199676452 /nfs/dbraw/zinc/67/64/52/1199676452.db2.gz FIIZTINEHDIQIV-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608110 1199700519 /nfs/dbraw/zinc/70/05/19/1199700519.db2.gz QVQZNPSXOGRNNG-JKSUJKDBSA-N 2 1 342.487 2.415 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCCC)C2)CC1 ZINC001132518790 1199802429 /nfs/dbraw/zinc/80/24/29/1199802429.db2.gz OGHBCMAJIMBMSC-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@@H]1C ZINC001133118760 1200473939 /nfs/dbraw/zinc/47/39/39/1200473939.db2.gz XJMGPDMUYFQIMP-JKSUJKDBSA-N 2 1 346.475 2.144 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000884214050 1202265677 /nfs/dbraw/zinc/26/56/77/1202265677.db2.gz RWUGOJMYPOGPNZ-HNNXBMFYSA-N 2 1 341.377 2.472 20 30 EEEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000886646198 1202539848 /nfs/dbraw/zinc/53/98/48/1202539848.db2.gz BXARFBQXSRGOLQ-XUVXKRRUSA-N 2 1 339.483 2.227 20 30 EEEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000887133380 1204213320 /nfs/dbraw/zinc/21/33/20/1204213320.db2.gz ZQOWONSOZDMBJT-INIZCTEOSA-N 2 1 349.438 2.493 20 30 EEEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202772519 1204901105 /nfs/dbraw/zinc/90/11/05/1204901105.db2.gz RWIRFMXLLZHUQS-GOSISDBHSA-N 2 1 337.508 2.033 20 30 EEEDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(C#N)cc1 ZINC001274918098 1205209475 /nfs/dbraw/zinc/20/94/75/1205209475.db2.gz ZPQGMBFTDCJVFG-IHWFROFDSA-N 2 1 343.471 2.306 20 30 EEEDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(C#N)cc1 ZINC001274918098 1205209477 /nfs/dbraw/zinc/20/94/77/1205209477.db2.gz ZPQGMBFTDCJVFG-IHWFROFDSA-N 2 1 343.471 2.306 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095416983 1205718040 /nfs/dbraw/zinc/71/80/40/1205718040.db2.gz BYVYWKKBQFKTMK-LMCOJAPRSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001095416983 1205718041 /nfs/dbraw/zinc/71/80/41/1205718041.db2.gz BYVYWKKBQFKTMK-LMCOJAPRSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001095416983 1205718043 /nfs/dbraw/zinc/71/80/43/1205718043.db2.gz BYVYWKKBQFKTMK-LMCOJAPRSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000778962922 1208421796 /nfs/dbraw/zinc/42/17/96/1208421796.db2.gz GDOSNAYDXCPCQB-SXLOBPIMSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000778962922 1208421798 /nfs/dbraw/zinc/42/17/98/1208421798.db2.gz GDOSNAYDXCPCQB-SXLOBPIMSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778962922 1208421801 /nfs/dbraw/zinc/42/18/01/1208421801.db2.gz GDOSNAYDXCPCQB-SXLOBPIMSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778962922 1208421803 /nfs/dbraw/zinc/42/18/03/1208421803.db2.gz GDOSNAYDXCPCQB-SXLOBPIMSA-N 2 1 339.483 2.111 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947556690 1208619411 /nfs/dbraw/zinc/61/94/11/1208619411.db2.gz SFCZCAHXEMUSIL-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947556690 1208619413 /nfs/dbraw/zinc/61/94/13/1208619413.db2.gz SFCZCAHXEMUSIL-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000949529369 1209729477 /nfs/dbraw/zinc/72/94/77/1209729477.db2.gz QNBBBEZVXKDCMJ-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP C[C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)[N@@H+](C)C1CC1 ZINC000083052354 1211453493 /nfs/dbraw/zinc/45/34/93/1211453493.db2.gz AVEOLIWABWRXJM-NSHDSACASA-N 2 1 344.381 2.472 20 30 EEEDMP CN1CC[N@@H+](CCCNC(=[NH2+])NCC2CCC2)[C@H](c2ccccc2)C1 ZINC000303908970 1213923361 /nfs/dbraw/zinc/92/33/61/1213923361.db2.gz XZOPHDQPPZDCDL-IBGZPJMESA-N 2 1 343.519 2.070 20 30 EEEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])NCC2CCC2)[C@H](c2ccccc2)C1 ZINC000303908970 1213923365 /nfs/dbraw/zinc/92/33/65/1213923365.db2.gz XZOPHDQPPZDCDL-IBGZPJMESA-N 2 1 343.519 2.070 20 30 EEEDMP C[N@H+]1CCN(CCCNC(=[NH2+])NCC2CCC2)[C@H](c2ccccc2)C1 ZINC000303908970 1213923375 /nfs/dbraw/zinc/92/33/75/1213923375.db2.gz XZOPHDQPPZDCDL-IBGZPJMESA-N 2 1 343.519 2.070 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CC3=CCCCC3)C2)CC1 ZINC000957422127 1215115130 /nfs/dbraw/zinc/11/51/30/1215115130.db2.gz KFSMBTALCVLAPG-UHFFFAOYSA-N 2 1 343.515 2.365 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1Cl ZINC000304814389 1216106741 /nfs/dbraw/zinc/10/67/41/1216106741.db2.gz ZPJOFWVJJOYXDD-KGLIPLIRSA-N 2 1 338.883 2.496 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCC2)CC1 ZINC000961024322 1217012061 /nfs/dbraw/zinc/01/20/61/1217012061.db2.gz CAQRBTGVLFFLTK-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224952 1217097148 /nfs/dbraw/zinc/09/71/48/1217097148.db2.gz FJLWFMNVTLWFBH-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961277053 1217123497 /nfs/dbraw/zinc/12/34/97/1217123497.db2.gz AGEJWXCNNFMQFN-DLBZAZTESA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CC[NH+](C)C ZINC000961360954 1217158053 /nfs/dbraw/zinc/15/80/53/1217158053.db2.gz SJVSHXZIZLQZHF-PMOLBWCYSA-N 2 1 341.499 2.417 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961376948 1217164994 /nfs/dbraw/zinc/16/49/94/1217164994.db2.gz UKQNRQPKBAWRTD-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2C#N)C1 ZINC000961992210 1217440143 /nfs/dbraw/zinc/44/01/43/1217440143.db2.gz JPOHPHLHXNBEIL-XUJQIHCRSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963346153 1217540219 /nfs/dbraw/zinc/54/02/19/1217540219.db2.gz KFZNHWJRPQJADM-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000963844675 1218072418 /nfs/dbraw/zinc/07/24/18/1218072418.db2.gz ULUQMZJOMDRIQF-KLAILNCOSA-N 2 1 330.476 2.299 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486190 1219786468 /nfs/dbraw/zinc/78/64/68/1219786468.db2.gz CMHDVXFDIJJUQZ-GDBMZVCRSA-N 2 1 333.501 2.273 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486190 1219786470 /nfs/dbraw/zinc/78/64/70/1219786470.db2.gz CMHDVXFDIJJUQZ-GDBMZVCRSA-N 2 1 333.501 2.273 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967424646 1220501905 /nfs/dbraw/zinc/50/19/05/1220501905.db2.gz UFENXYMORHDHBI-VQIMIIECSA-N 2 1 329.488 2.417 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887413 1221647229 /nfs/dbraw/zinc/64/72/29/1221647229.db2.gz DFTKSNNXRBEPAO-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887413 1221647231 /nfs/dbraw/zinc/64/72/31/1221647231.db2.gz DFTKSNNXRBEPAO-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968887413 1221647232 /nfs/dbraw/zinc/64/72/32/1221647232.db2.gz DFTKSNNXRBEPAO-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001007649701 1222346074 /nfs/dbraw/zinc/34/60/74/1222346074.db2.gz WXPFXSBEOPORCG-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001009625973 1223308095 /nfs/dbraw/zinc/30/80/95/1223308095.db2.gz GQIZLKZDFVOMKB-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001016340734 1226367620 /nfs/dbraw/zinc/36/76/20/1226367620.db2.gz ZKEVZLDTNROUKZ-VQTJNVASSA-N 2 1 339.483 2.103 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016788589 1226878421 /nfs/dbraw/zinc/87/84/21/1226878421.db2.gz BRNFXNIOZXBPQF-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC2CCC(C)CC2)CC1 ZINC001039042774 1230259086 /nfs/dbraw/zinc/25/90/86/1230259086.db2.gz WMWDRSOEAQPARD-AFMYVXGZSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165653 1230387419 /nfs/dbraw/zinc/38/74/19/1230387419.db2.gz QZAQDGLNEAVYRA-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039165653 1230387424 /nfs/dbraw/zinc/38/74/24/1230387424.db2.gz QZAQDGLNEAVYRA-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039165653 1230387426 /nfs/dbraw/zinc/38/74/26/1230387426.db2.gz QZAQDGLNEAVYRA-PKOBYXMFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247001 1230482244 /nfs/dbraw/zinc/48/22/44/1230482244.db2.gz SONXBQUCEICNDI-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CC[N@H+](CC=C)C2)CC1 ZINC001039250434 1230486210 /nfs/dbraw/zinc/48/62/10/1230486210.db2.gz KKXCJLQDQGFYCF-VQTJNVASSA-N 2 1 343.515 2.221 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329218 1231172933 /nfs/dbraw/zinc/17/29/33/1231172933.db2.gz SJNUFNFWCRUNLC-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4nc[nH]c43)C2)C1 ZINC001040387782 1231200404 /nfs/dbraw/zinc/20/04/04/1231200404.db2.gz JOZLJJAHSBGKLJ-HNAYVOBHSA-N 2 1 328.460 2.330 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040953179 1231409072 /nfs/dbraw/zinc/40/90/72/1231409072.db2.gz KHUYWANGOQZLBS-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505773 1231571582 /nfs/dbraw/zinc/57/15/82/1231571582.db2.gz MUJQBVKEYONLSC-ICSRJNTNSA-N 2 1 331.504 2.361 20 30 EEEDMP C[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001046597732 1234978655 /nfs/dbraw/zinc/97/86/55/1234978655.db2.gz KZEOVEMKVNVFAY-GOSISDBHSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001046597732 1234978659 /nfs/dbraw/zinc/97/86/59/1234978659.db2.gz KZEOVEMKVNVFAY-GOSISDBHSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC(CC)CC)C2)CC1 ZINC001046849193 1235246307 /nfs/dbraw/zinc/24/63/07/1235246307.db2.gz CFGFRVOWORVDBX-HXUWFJFHSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046953962 1235350407 /nfs/dbraw/zinc/35/04/07/1235350407.db2.gz MWTGLFUWHUNQDC-HNNXBMFYSA-N 2 1 346.381 2.045 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047242867 1235731283 /nfs/dbraw/zinc/73/12/83/1235731283.db2.gz HQJRZNUDIHRQOE-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001047250906 1235750337 /nfs/dbraw/zinc/75/03/37/1235750337.db2.gz KSTNVPPITWWWDA-IBGZPJMESA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001048537271 1237906099 /nfs/dbraw/zinc/90/60/99/1237906099.db2.gz NFUZQWIAUUPTHE-REPLKXPHSA-N 2 1 343.515 2.245 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001048557110 1237957122 /nfs/dbraw/zinc/95/71/22/1237957122.db2.gz GOTABLOLXJAZSI-YSTOQKLRSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048557110 1237957131 /nfs/dbraw/zinc/95/71/31/1237957131.db2.gz GOTABLOLXJAZSI-YSTOQKLRSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048557110 1237957136 /nfs/dbraw/zinc/95/71/36/1237957136.db2.gz GOTABLOLXJAZSI-YSTOQKLRSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC001000185392 1240039103 /nfs/dbraw/zinc/03/91/03/1240039103.db2.gz OCCYASNAGTWWCA-RBUKOAKNSA-N 2 1 343.515 2.387 20 30 EEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CCCc4[nH]cnc43)CC2)CC1 ZINC001000256255 1240105064 /nfs/dbraw/zinc/10/50/64/1240105064.db2.gz LJRRTSFNWGVOOJ-HNNXBMFYSA-N 2 1 328.460 2.376 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(CN(C)C)on1 ZINC001049563832 1241431441 /nfs/dbraw/zinc/43/14/41/1241431441.db2.gz HLNPIVDTORUNJK-QZTJIDSGSA-N 2 1 346.475 2.381 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049563832 1241431445 /nfs/dbraw/zinc/43/14/45/1241431445.db2.gz HLNPIVDTORUNJK-QZTJIDSGSA-N 2 1 346.475 2.381 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049563832 1241431452 /nfs/dbraw/zinc/43/14/52/1241431452.db2.gz HLNPIVDTORUNJK-QZTJIDSGSA-N 2 1 346.475 2.381 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049615702 1241652092 /nfs/dbraw/zinc/65/20/92/1241652092.db2.gz NKWDCBLWMQYFSC-PMACEKPBSA-N 2 1 339.483 2.103 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001049672435 1241837879 /nfs/dbraw/zinc/83/78/79/1241837879.db2.gz SOXSQNZCYMOOIG-BHIYHBOVSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001049672435 1241837887 /nfs/dbraw/zinc/83/78/87/1241837887.db2.gz SOXSQNZCYMOOIG-BHIYHBOVSA-N 2 1 342.487 2.395 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001050544753 1243817086 /nfs/dbraw/zinc/81/70/86/1243817086.db2.gz VVPAQUNNBYCGAU-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709912 1244803672 /nfs/dbraw/zinc/80/36/72/1244803672.db2.gz SENWKPZGDFRFTL-IBGZPJMESA-N 2 1 327.472 2.008 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257092 1245580406 /nfs/dbraw/zinc/58/04/06/1245580406.db2.gz GQTQRHFLCOXDOB-LMMKCTJWSA-N 2 1 339.499 2.413 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348923 1245696849 /nfs/dbraw/zinc/69/68/49/1245696849.db2.gz NYMYRRXJZRIWST-HQRMLTQVSA-N 2 1 333.520 2.463 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053090532 1245876195 /nfs/dbraw/zinc/87/61/95/1245876195.db2.gz GXBLCOBSSJETHD-MOPGFXCFSA-N 2 1 342.487 2.308 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053090532 1245876201 /nfs/dbraw/zinc/87/62/01/1245876201.db2.gz GXBLCOBSSJETHD-MOPGFXCFSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053101388 1245909788 /nfs/dbraw/zinc/90/97/88/1245909788.db2.gz NJZSZJHKDDQQNZ-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105203 1245921158 /nfs/dbraw/zinc/92/11/58/1245921158.db2.gz MSHVPPAJTYHDJG-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448423 1247310989 /nfs/dbraw/zinc/31/09/89/1247310989.db2.gz ZEHUOAHOTIZCCR-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448423 1247310997 /nfs/dbraw/zinc/31/09/97/1247310997.db2.gz ZEHUOAHOTIZCCR-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448423 1247311008 /nfs/dbraw/zinc/31/10/08/1247311008.db2.gz ZEHUOAHOTIZCCR-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001054101145 1247406467 /nfs/dbraw/zinc/40/64/67/1247406467.db2.gz RHXHJMYXMAELOB-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054101145 1247406471 /nfs/dbraw/zinc/40/64/71/1247406471.db2.gz RHXHJMYXMAELOB-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054101145 1247406477 /nfs/dbraw/zinc/40/64/77/1247406477.db2.gz RHXHJMYXMAELOB-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129270 1247472048 /nfs/dbraw/zinc/47/20/48/1247472048.db2.gz NWBRKAQTJOUZCS-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129270 1247472055 /nfs/dbraw/zinc/47/20/55/1247472055.db2.gz NWBRKAQTJOUZCS-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129270 1247472060 /nfs/dbraw/zinc/47/20/60/1247472060.db2.gz NWBRKAQTJOUZCS-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001054158315 1247562317 /nfs/dbraw/zinc/56/23/17/1247562317.db2.gz IGZMQWWXRXUYCZ-IBGZPJMESA-N 2 1 346.475 2.240 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001054158315 1247562322 /nfs/dbraw/zinc/56/23/22/1247562322.db2.gz IGZMQWWXRXUYCZ-IBGZPJMESA-N 2 1 346.475 2.240 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001054197920 1247688402 /nfs/dbraw/zinc/68/84/02/1247688402.db2.gz LQHDZLMSSJHDSG-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001054197920 1247688407 /nfs/dbraw/zinc/68/84/07/1247688407.db2.gz LQHDZLMSSJHDSG-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662839 1247813618 /nfs/dbraw/zinc/81/36/18/1247813618.db2.gz KQCJWUVHBUDUNL-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662839 1247813627 /nfs/dbraw/zinc/81/36/27/1247813627.db2.gz KQCJWUVHBUDUNL-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246112 1247865120 /nfs/dbraw/zinc/86/51/20/1247865120.db2.gz NZLHERDZNSCGEE-FPOVZHCZSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246112 1247865135 /nfs/dbraw/zinc/86/51/35/1247865135.db2.gz NZLHERDZNSCGEE-FPOVZHCZSA-N 2 1 339.483 2.237 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001072080996 1254918679 /nfs/dbraw/zinc/91/86/79/1254918679.db2.gz FHWCSCDSTGPLBX-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101440 1257966413 /nfs/dbraw/zinc/96/64/13/1257966413.db2.gz ZJGUIAFPFOBUMW-ICSRJNTNSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC(=C)C)C3)CC1 ZINC001099174657 1257994293 /nfs/dbraw/zinc/99/42/93/1257994293.db2.gz YUBBIDISQMHTPU-FPOVZHCZSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCCCCC ZINC001099536238 1258194493 /nfs/dbraw/zinc/19/44/93/1258194493.db2.gz KHGZNZVPABBIQN-HAGHYFMRSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCCCCC ZINC001099536238 1258194494 /nfs/dbraw/zinc/19/44/94/1258194494.db2.gz KHGZNZVPABBIQN-HAGHYFMRSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCCCCC ZINC001099536238 1258194496 /nfs/dbraw/zinc/19/44/96/1258194496.db2.gz KHGZNZVPABBIQN-HAGHYFMRSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001099583410 1258227620 /nfs/dbraw/zinc/22/76/20/1258227620.db2.gz QVPRUURFGIXETN-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099583410 1258227625 /nfs/dbraw/zinc/22/76/25/1258227625.db2.gz QVPRUURFGIXETN-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099583410 1258227633 /nfs/dbraw/zinc/22/76/33/1258227633.db2.gz QVPRUURFGIXETN-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135030097 1278119398 /nfs/dbraw/zinc/11/93/98/1278119398.db2.gz XMSRODLSDCTJNK-QWHCGFSZSA-N 2 1 345.472 2.198 20 30 EEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001185668521 1278754114 /nfs/dbraw/zinc/75/41/14/1278754114.db2.gz AQFLDRCVQIXKON-HZPDHXFCSA-N 2 1 346.475 2.429 20 30 EEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174217 1280719983 /nfs/dbraw/zinc/71/99/83/1280719983.db2.gz DIGUWNKDQBTCEL-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190174217 1280719990 /nfs/dbraw/zinc/71/99/90/1280719990.db2.gz DIGUWNKDQBTCEL-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190174217 1280719995 /nfs/dbraw/zinc/71/99/95/1280719995.db2.gz DIGUWNKDQBTCEL-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190177602 1280723593 /nfs/dbraw/zinc/72/35/93/1280723593.db2.gz RBJCEXPOLNMJTM-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190177602 1280723598 /nfs/dbraw/zinc/72/35/98/1280723598.db2.gz RBJCEXPOLNMJTM-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190177602 1280723607 /nfs/dbraw/zinc/72/36/07/1280723607.db2.gz RBJCEXPOLNMJTM-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001191030747 1281185001 /nfs/dbraw/zinc/18/50/01/1281185001.db2.gz VCBHGZGFEWJXSQ-GOSISDBHSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001191030747 1281185006 /nfs/dbraw/zinc/18/50/06/1281185006.db2.gz VCBHGZGFEWJXSQ-GOSISDBHSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC001191030747 1281185007 /nfs/dbraw/zinc/18/50/07/1281185007.db2.gz VCBHGZGFEWJXSQ-GOSISDBHSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC001191030747 1281185012 /nfs/dbraw/zinc/18/50/12/1281185012.db2.gz VCBHGZGFEWJXSQ-GOSISDBHSA-N 2 1 342.487 2.321 20 30 EEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946356 1281720982 /nfs/dbraw/zinc/72/09/82/1281720982.db2.gz AWGVFMDDGWXNPO-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191946356 1281720991 /nfs/dbraw/zinc/72/09/91/1281720991.db2.gz AWGVFMDDGWXNPO-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191946356 1281720999 /nfs/dbraw/zinc/72/09/99/1281720999.db2.gz AWGVFMDDGWXNPO-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946357 1281721722 /nfs/dbraw/zinc/72/17/22/1281721722.db2.gz AWGVFMDDGWXNPO-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191946357 1281721731 /nfs/dbraw/zinc/72/17/31/1281721731.db2.gz AWGVFMDDGWXNPO-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191946357 1281721741 /nfs/dbraw/zinc/72/17/41/1281721741.db2.gz AWGVFMDDGWXNPO-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191988632 1281735740 /nfs/dbraw/zinc/73/57/40/1281735740.db2.gz MJRDOHNCDWBOCZ-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191988632 1281735745 /nfs/dbraw/zinc/73/57/45/1281735745.db2.gz MJRDOHNCDWBOCZ-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001192366659 1281950957 /nfs/dbraw/zinc/95/09/57/1281950957.db2.gz BCGZZIQSKSERDH-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001192366659 1281950963 /nfs/dbraw/zinc/95/09/63/1281950963.db2.gz BCGZZIQSKSERDH-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001192366659 1281950967 /nfs/dbraw/zinc/95/09/67/1281950967.db2.gz BCGZZIQSKSERDH-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201558268 1289664707 /nfs/dbraw/zinc/66/47/07/1289664707.db2.gz NGOQLIMJVWXWLS-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001211270287 1295793210 /nfs/dbraw/zinc/79/32/10/1295793210.db2.gz ZNIGVFRNFONLSH-GOSISDBHSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224007 1295943101 /nfs/dbraw/zinc/94/31/01/1295943101.db2.gz JDSDYRVPCRHZNX-IAGOWNOFSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636723 1296539237 /nfs/dbraw/zinc/53/92/37/1296539237.db2.gz QCFVKVQJADRYJX-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544393 1296937207 /nfs/dbraw/zinc/93/72/07/1296937207.db2.gz SPEPMPCWQDZHRW-UWWQBHOKSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215571384 1296942004 /nfs/dbraw/zinc/94/20/04/1296942004.db2.gz MOOSFMDAMOFJNN-CRAIPNDOSA-N 2 1 349.906 2.350 20 30 EEEDMP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001218109572 1297575548 /nfs/dbraw/zinc/57/55/48/1297575548.db2.gz RHVKBJYJCMBMED-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218109572 1297575555 /nfs/dbraw/zinc/57/55/55/1297575555.db2.gz RHVKBJYJCMBMED-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218109572 1297575567 /nfs/dbraw/zinc/57/55/67/1297575567.db2.gz RHVKBJYJCMBMED-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099556389 1299219766 /nfs/dbraw/zinc/21/97/66/1299219766.db2.gz KCNLELXEBXRAML-HZMVEIRTSA-N 2 1 339.911 2.248 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556389 1299219780 /nfs/dbraw/zinc/21/97/80/1299219780.db2.gz KCNLELXEBXRAML-HZMVEIRTSA-N 2 1 339.911 2.248 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556389 1299219792 /nfs/dbraw/zinc/21/97/92/1299219792.db2.gz KCNLELXEBXRAML-HZMVEIRTSA-N 2 1 339.911 2.248 20 30 EEEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949877 1299222219 /nfs/dbraw/zinc/22/22/19/1299222219.db2.gz LIKOOWRHQALSJJ-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001223494873 1300154225 /nfs/dbraw/zinc/15/42/25/1300154225.db2.gz DKNQRIIQPXWTSW-SFHVURJKSA-N 2 1 337.483 2.052 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001223494873 1300154233 /nfs/dbraw/zinc/15/42/33/1300154233.db2.gz DKNQRIIQPXWTSW-SFHVURJKSA-N 2 1 337.483 2.052 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001223508094 1300159898 /nfs/dbraw/zinc/15/98/98/1300159898.db2.gz ZUDHSCVXRZRDHM-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001223508094 1300159904 /nfs/dbraw/zinc/15/99/04/1300159904.db2.gz ZUDHSCVXRZRDHM-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929162 1300336523 /nfs/dbraw/zinc/33/65/23/1300336523.db2.gz QHYNYJIXYOWNEM-QGZVFWFLSA-N 2 1 339.911 2.442 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227211368 1301733492 /nfs/dbraw/zinc/73/34/92/1301733492.db2.gz FVWJOAVCWSZIFU-HZPDHXFCSA-N 2 1 334.464 2.333 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103375947 1302861894 /nfs/dbraw/zinc/86/18/94/1302861894.db2.gz DOPMXRJQMGNHLS-HZPDHXFCSA-N 2 1 331.460 2.052 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230618877 1303327348 /nfs/dbraw/zinc/32/73/48/1303327348.db2.gz SFTUVDSCCNAVAO-LJQANCHMSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230618877 1303327353 /nfs/dbraw/zinc/32/73/53/1303327353.db2.gz SFTUVDSCCNAVAO-LJQANCHMSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230618877 1303327359 /nfs/dbraw/zinc/32/73/59/1303327359.db2.gz SFTUVDSCCNAVAO-LJQANCHMSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCCC[N@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835753 1303489338 /nfs/dbraw/zinc/48/93/38/1303489338.db2.gz VDHXRHFXVSQEGE-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccnc1 ZINC001230917610 1303544411 /nfs/dbraw/zinc/54/44/11/1303544411.db2.gz CTDZJABAESUAAQ-LJQANCHMSA-N 2 1 344.503 2.308 20 30 EEEDMP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230917610 1303544419 /nfs/dbraw/zinc/54/44/19/1303544419.db2.gz CTDZJABAESUAAQ-LJQANCHMSA-N 2 1 344.503 2.308 20 30 EEEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230917610 1303544427 /nfs/dbraw/zinc/54/44/27/1303544427.db2.gz CTDZJABAESUAAQ-LJQANCHMSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112153523 1304281264 /nfs/dbraw/zinc/28/12/64/1304281264.db2.gz KCXWVNOKQQWELZ-BYNSBNAKSA-N 2 1 347.425 2.272 20 30 EEEDMP C=CC[NH2+]CCN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001236131510 1305508238 /nfs/dbraw/zinc/50/82/38/1305508238.db2.gz BUDPJABEQAGCBD-UHFFFAOYSA-N 2 1 343.393 2.478 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120422846 1309524973 /nfs/dbraw/zinc/52/49/73/1309524973.db2.gz PEPCGLLMRBCWGH-HZPDHXFCSA-N 2 1 327.900 2.394 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001121288969 1309970018 /nfs/dbraw/zinc/97/00/18/1309970018.db2.gz MWXUVOSNSMQFPB-INFDXNDLSA-N 2 1 329.488 2.044 20 30 EEEDMP CCCCCCCC[C@@H](CC)[NH2+]CCS(=O)(=O)N1CC[NH2+]CC1 ZINC001246098679 1310236053 /nfs/dbraw/zinc/23/60/53/1310236053.db2.gz CVCOWQFGVMAKFF-QGZVFWFLSA-N 2 1 347.569 2.340 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC001246307687 1310278569 /nfs/dbraw/zinc/27/85/69/1310278569.db2.gz NLUVPSKQOWBSHZ-AEFFLSMTSA-N 2 1 346.471 2.369 20 30 EEEDMP N#CC1(c2ccc(F)cc2)CCC(N2CC[NH2+]C[C@]23CC[NH2+]C3)CC1 ZINC001246623046 1310361372 /nfs/dbraw/zinc/36/13/72/1310361372.db2.gz IVBSOHLYKFAPMM-SOAGJPPSSA-N 2 1 342.462 2.167 20 30 EEEDMP N#CC1(c2ccc(F)cc2)CCC([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246858809 1310450258 /nfs/dbraw/zinc/45/02/58/1310450258.db2.gz IHZGRDHLBICNHP-WTWHFWOCSA-N 2 1 343.446 2.435 20 30 EEEDMP N#CC1(c2ccc(F)cc2)CCC([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246858809 1310450267 /nfs/dbraw/zinc/45/02/67/1310450267.db2.gz IHZGRDHLBICNHP-WTWHFWOCSA-N 2 1 343.446 2.435 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C12CCC2 ZINC001203105338 1315059126 /nfs/dbraw/zinc/05/91/26/1315059126.db2.gz WZBRDRDAQKJKNY-DLBZAZTESA-N 2 1 346.475 2.333 20 30 EEEDMP C=CCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001149399793 1315958684 /nfs/dbraw/zinc/95/86/84/1315958684.db2.gz TXOQFHNZJOXUDG-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149399793 1315958687 /nfs/dbraw/zinc/95/86/87/1315958687.db2.gz TXOQFHNZJOXUDG-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149399793 1315958688 /nfs/dbraw/zinc/95/86/88/1315958688.db2.gz TXOQFHNZJOXUDG-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149937465 1316096921 /nfs/dbraw/zinc/09/69/21/1316096921.db2.gz SJBRZZOMGOXTQU-IAGOWNOFSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149937465 1316096926 /nfs/dbraw/zinc/09/69/26/1316096926.db2.gz SJBRZZOMGOXTQU-IAGOWNOFSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149937465 1316096928 /nfs/dbraw/zinc/09/69/28/1316096928.db2.gz SJBRZZOMGOXTQU-IAGOWNOFSA-N 2 1 339.524 2.279 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001150778313 1316371863 /nfs/dbraw/zinc/37/18/63/1316371863.db2.gz KKMJXZGBOSFIMG-OALUTQOASA-N 2 1 345.487 2.073 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001150778313 1316371865 /nfs/dbraw/zinc/37/18/65/1316371865.db2.gz KKMJXZGBOSFIMG-OALUTQOASA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001150780110 1316372426 /nfs/dbraw/zinc/37/24/26/1316372426.db2.gz ZEZPMSWZGFEYTJ-RTBURBONSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001150780110 1316372430 /nfs/dbraw/zinc/37/24/30/1316372430.db2.gz ZEZPMSWZGFEYTJ-RTBURBONSA-N 2 1 345.487 2.073 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930812 1316919069 /nfs/dbraw/zinc/91/90/69/1316919069.db2.gz YNIJBBCBGXKLSR-QUCCMNQESA-N 2 1 343.515 2.451 20 30 EEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455434 1317142062 /nfs/dbraw/zinc/14/20/62/1317142062.db2.gz QGZVXGQJLPHMGA-GDBMZVCRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455434 1317142065 /nfs/dbraw/zinc/14/20/65/1317142065.db2.gz QGZVXGQJLPHMGA-GDBMZVCRSA-N 2 1 327.900 2.440 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226116 1317509073 /nfs/dbraw/zinc/50/90/73/1317509073.db2.gz HMUSMYRDPGHYCV-DLBZAZTESA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226116 1317509078 /nfs/dbraw/zinc/50/90/78/1317509078.db2.gz HMUSMYRDPGHYCV-DLBZAZTESA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226116 1317509084 /nfs/dbraw/zinc/50/90/84/1317509084.db2.gz HMUSMYRDPGHYCV-DLBZAZTESA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157133164 1318427336 /nfs/dbraw/zinc/42/73/36/1318427336.db2.gz ZBZRGLOKRBMAKE-MJGOQNOKSA-N 2 1 347.503 2.319 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157133164 1318427340 /nfs/dbraw/zinc/42/73/40/1318427340.db2.gz ZBZRGLOKRBMAKE-MJGOQNOKSA-N 2 1 347.503 2.319 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001157887428 1318918150 /nfs/dbraw/zinc/91/81/50/1318918150.db2.gz VLNFUKPACKUBAA-INIZCTEOSA-N 2 1 334.489 2.088 20 30 EEEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097767 1319009971 /nfs/dbraw/zinc/00/99/71/1319009971.db2.gz DWDREJKLOVTBCB-HNNXBMFYSA-N 2 1 327.900 2.489 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001162817465 1320967472 /nfs/dbraw/zinc/96/74/72/1320967472.db2.gz YOPAAYOLHXJETR-UYAOXDASSA-N 2 1 341.499 2.011 20 30 EEEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)Cn1c[nH+]cc1C ZINC001162860050 1320977114 /nfs/dbraw/zinc/97/71/14/1320977114.db2.gz RWQYYJSGQFYNRW-UHFFFAOYSA-N 2 1 340.471 2.429 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207006816 1323786398 /nfs/dbraw/zinc/78/63/98/1323786398.db2.gz AYRLJPQXQYICBC-IXDOHACOSA-N 2 1 348.491 2.036 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207006816 1323786404 /nfs/dbraw/zinc/78/64/04/1323786404.db2.gz AYRLJPQXQYICBC-IXDOHACOSA-N 2 1 348.491 2.036 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001208090266 1324310404 /nfs/dbraw/zinc/31/04/04/1324310404.db2.gz PIEBEMPBJCBRCX-MAUKXSAKSA-N 2 1 345.491 2.337 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001208090266 1324310410 /nfs/dbraw/zinc/31/04/10/1324310410.db2.gz PIEBEMPBJCBRCX-MAUKXSAKSA-N 2 1 345.491 2.337 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001491580185 1330172468 /nfs/dbraw/zinc/17/24/68/1330172468.db2.gz RIKDSNPFUHDDJV-OAHLLOKOSA-N 2 1 330.476 2.130 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001326714010 1334148393 /nfs/dbraw/zinc/14/83/93/1334148393.db2.gz SCUUMHCTWQNIGV-IAGOWNOFSA-N 2 1 330.476 2.391 20 30 EEEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC001335385393 1336369296 /nfs/dbraw/zinc/36/92/96/1336369296.db2.gz ZJSWJVHZLSFMCW-MJGOQNOKSA-N 2 1 345.487 2.346 20 30 EEEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156320 1368884827 /nfs/dbraw/zinc/88/48/27/1368884827.db2.gz AIMYNKGPLQENKL-IBGZPJMESA-N 2 1 331.504 2.387 20 30 EEEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001356076400 1373189603 /nfs/dbraw/zinc/18/96/03/1373189603.db2.gz VVPZEMRDNNHNDM-INIZCTEOSA-N 2 1 332.496 2.198 20 30 EEEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001356076400 1373189605 /nfs/dbraw/zinc/18/96/05/1373189605.db2.gz VVPZEMRDNNHNDM-INIZCTEOSA-N 2 1 332.496 2.198 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@H]([NH2+]Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001366033709 1373792597 /nfs/dbraw/zinc/79/25/97/1373792597.db2.gz HUVNUVIBPZDFJP-IBGZPJMESA-N 2 1 340.471 2.027 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1cccc(C#N)c1 ZINC001372410250 1375987873 /nfs/dbraw/zinc/98/78/73/1375987873.db2.gz YXOVOBHFUPTJHE-GOSISDBHSA-N 2 1 330.476 2.083 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001374819373 1377093142 /nfs/dbraw/zinc/09/31/42/1377093142.db2.gz BZYIEOUQHALZGN-OAHLLOKOSA-N 2 1 339.443 2.138 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001380055485 1381028572 /nfs/dbraw/zinc/02/85/72/1381028572.db2.gz LIYPZNIBUAHYEC-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001380055485 1381028580 /nfs/dbraw/zinc/02/85/80/1381028580.db2.gz LIYPZNIBUAHYEC-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001380680495 1381336746 /nfs/dbraw/zinc/33/67/46/1381336746.db2.gz YQMQDDQYYGUZGE-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[N@H+]1C ZINC001381473199 1381618629 /nfs/dbraw/zinc/61/86/29/1381618629.db2.gz ROUDCQXBMPKQTJ-MRXNPFEDSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001391860573 1389666819 /nfs/dbraw/zinc/66/68/19/1389666819.db2.gz GDSXIIKCJBLOOL-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC001755118161 1407128960 /nfs/dbraw/zinc/12/89/60/1407128960.db2.gz FMZNGMBMMVZXSP-MAUKXSAKSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942444860 782441946 /nfs/dbraw/zinc/44/19/46/782441946.db2.gz QRNJBCIALURAFS-DOTOQJQBSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470864 756997935 /nfs/dbraw/zinc/99/79/35/756997935.db2.gz VQEPGVRLQJQUGJ-HKUYNNGSSA-N 2 1 330.476 2.376 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104290830 758127055 /nfs/dbraw/zinc/12/70/55/758127055.db2.gz FLBRLBIYWDNLPT-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC)CC2)CC1 ZINC001075453762 760706209 /nfs/dbraw/zinc/70/62/09/760706209.db2.gz AQMPCWGGJUUOCI-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001075453762 760706213 /nfs/dbraw/zinc/70/62/13/760706213.db2.gz AQMPCWGGJUUOCI-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC)CC2)CC1 ZINC001075453762 760706219 /nfs/dbraw/zinc/70/62/19/760706219.db2.gz AQMPCWGGJUUOCI-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CC)CC2)CC1 ZINC001075453762 760706228 /nfs/dbraw/zinc/70/62/28/760706228.db2.gz AQMPCWGGJUUOCI-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CC)CC2)CC1 ZINC001075453762 760706236 /nfs/dbraw/zinc/70/62/36/760706236.db2.gz AQMPCWGGJUUOCI-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CCC)[C@@H]3C2(C)C)CC1 ZINC001087317079 761613451 /nfs/dbraw/zinc/61/34/51/761613451.db2.gz CFLQZJZWHDWJHZ-OTWHNJEPSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971721 782670571 /nfs/dbraw/zinc/67/05/71/782670571.db2.gz PDQSULUJWLIPHA-KURKYZTESA-N 2 1 342.487 2.200 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971721 782670577 /nfs/dbraw/zinc/67/05/77/782670577.db2.gz PDQSULUJWLIPHA-KURKYZTESA-N 2 1 342.487 2.200 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982418 782689450 /nfs/dbraw/zinc/68/94/50/782689450.db2.gz FUKBWXHDEKRXGF-WBVHZDCISA-N 2 1 345.512 2.227 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994581 782738296 /nfs/dbraw/zinc/73/82/96/782738296.db2.gz REQNICLJRKTDPA-CABCVRRESA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994581 782738301 /nfs/dbraw/zinc/73/83/01/782738301.db2.gz REQNICLJRKTDPA-CABCVRRESA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994581 782738308 /nfs/dbraw/zinc/73/83/08/782738308.db2.gz REQNICLJRKTDPA-CABCVRRESA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994581 782738313 /nfs/dbraw/zinc/73/83/13/782738313.db2.gz REQNICLJRKTDPA-CABCVRRESA-N 2 1 325.884 2.004 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@@H](C)C2)CC1 ZINC000948070902 773472772 /nfs/dbraw/zinc/47/27/72/773472772.db2.gz SZWCLPDMZJDFMU-PXNSSMCTSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3C)C[C@H]2C1 ZINC000980236216 774138998 /nfs/dbraw/zinc/13/89/98/774138998.db2.gz BXJXSHHKPWLAOX-BZSNNMDCSA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980236216 774139000 /nfs/dbraw/zinc/13/90/00/774139000.db2.gz BXJXSHHKPWLAOX-BZSNNMDCSA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980236216 774139003 /nfs/dbraw/zinc/13/90/03/774139003.db2.gz BXJXSHHKPWLAOX-BZSNNMDCSA-N 2 1 330.476 2.374 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001031742980 774217794 /nfs/dbraw/zinc/21/77/94/774217794.db2.gz ZKAWILXWUDDVTO-IBGZPJMESA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001031742980 774217798 /nfs/dbraw/zinc/21/77/98/774217798.db2.gz ZKAWILXWUDDVTO-IBGZPJMESA-N 2 1 343.515 2.102 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098527 783190637 /nfs/dbraw/zinc/19/06/37/783190637.db2.gz UWUXZSFLEJKCNL-ICSRJNTNSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000997648937 790541081 /nfs/dbraw/zinc/54/10/81/790541081.db2.gz LHZKWBBAJZZIQT-XJKSGUPXSA-N 2 1 330.476 2.226 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089839507 777552129 /nfs/dbraw/zinc/55/21/29/777552129.db2.gz UNNFYDVNELEKQK-HZMVEIRTSA-N 2 1 348.878 2.113 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089839507 777552133 /nfs/dbraw/zinc/55/21/33/777552133.db2.gz UNNFYDVNELEKQK-HZMVEIRTSA-N 2 1 348.878 2.113 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226805 779403028 /nfs/dbraw/zinc/40/30/28/779403028.db2.gz OAXGDEYMSSIYAU-SFHVURJKSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226805 779403031 /nfs/dbraw/zinc/40/30/31/779403031.db2.gz OAXGDEYMSSIYAU-SFHVURJKSA-N 2 1 339.443 2.428 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982332778 779751348 /nfs/dbraw/zinc/75/13/48/779751348.db2.gz NMVWMNYNJSISML-SESVDKBCSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982332778 779751352 /nfs/dbraw/zinc/75/13/52/779751352.db2.gz NMVWMNYNJSISML-SESVDKBCSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982332778 779751356 /nfs/dbraw/zinc/75/13/56/779751356.db2.gz NMVWMNYNJSISML-SESVDKBCSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001088316457 783485559 /nfs/dbraw/zinc/48/55/59/783485559.db2.gz ADGWIBHUSQSYBW-QAPCUYQASA-N 2 1 345.491 2.337 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001088316457 783485567 /nfs/dbraw/zinc/48/55/67/783485567.db2.gz ADGWIBHUSQSYBW-QAPCUYQASA-N 2 1 345.491 2.337 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001035048996 783653930 /nfs/dbraw/zinc/65/39/30/783653930.db2.gz LJCJGVGSZFWWPA-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135584352 784015651 /nfs/dbraw/zinc/01/56/51/784015651.db2.gz MNPBDDLCTPBNNY-CVEARBPZSA-N 2 1 336.480 2.082 20 30 EEEDMP C=CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135676609 784211632 /nfs/dbraw/zinc/21/16/32/784211632.db2.gz ZEWAZHPUGFBSHT-QZTJIDSGSA-N 2 1 339.524 2.328 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135976503 784925695 /nfs/dbraw/zinc/92/56/95/784925695.db2.gz KNECUBRHYWWAJS-HOTGVXAUSA-N 2 1 330.476 2.273 20 30 EEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035719506 785013073 /nfs/dbraw/zinc/01/30/73/785013073.db2.gz AVLNTMQHPUCCNL-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CC2 ZINC001035794246 785142906 /nfs/dbraw/zinc/14/29/06/785142906.db2.gz BGRJABCBNPKXAV-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810454 785210113 /nfs/dbraw/zinc/21/01/13/785210113.db2.gz LTYNWXVGJGHTFM-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633157 787958486 /nfs/dbraw/zinc/95/84/86/787958486.db2.gz MIVZFFQDZXOTLT-NVXWUHKLSA-N 2 1 325.884 2.196 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997277996 789521448 /nfs/dbraw/zinc/52/14/48/789521448.db2.gz CMOVZXGGRBWEPT-IEBWSBKVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997334930 789610299 /nfs/dbraw/zinc/61/02/99/789610299.db2.gz ZSBSZCCYOZXHHT-IEBWSBKVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000923560472 789771306 /nfs/dbraw/zinc/77/13/06/789771306.db2.gz BSBKMOHETNRUMY-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000923560472 789771310 /nfs/dbraw/zinc/77/13/10/789771310.db2.gz BSBKMOHETNRUMY-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000923561190 789771624 /nfs/dbraw/zinc/77/16/24/789771624.db2.gz UVTUBFJUYMNCQG-IBGZPJMESA-N 2 1 325.456 2.110 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000923561190 789771630 /nfs/dbraw/zinc/77/16/30/789771630.db2.gz UVTUBFJUYMNCQG-IBGZPJMESA-N 2 1 325.456 2.110 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738335 792598840 /nfs/dbraw/zinc/59/88/40/792598840.db2.gz UPOOONCZAINMPH-MDZRGWNJSA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738335 792598845 /nfs/dbraw/zinc/59/88/45/792598845.db2.gz UPOOONCZAINMPH-MDZRGWNJSA-N 2 1 328.460 2.117 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738481 792600934 /nfs/dbraw/zinc/60/09/34/792600934.db2.gz ZWCKZZOLUJACRP-KPFFTGBYSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738481 792600943 /nfs/dbraw/zinc/60/09/43/792600943.db2.gz ZWCKZZOLUJACRP-KPFFTGBYSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738481 792600952 /nfs/dbraw/zinc/60/09/52/792600952.db2.gz ZWCKZZOLUJACRP-KPFFTGBYSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCCCC)C3)CC1 ZINC001148828018 792703475 /nfs/dbraw/zinc/70/34/75/792703475.db2.gz WNOUKSGEHWKJQW-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001109926471 806222289 /nfs/dbraw/zinc/22/22/89/806222289.db2.gz HBPLKAOORJEPGR-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001109926471 806222295 /nfs/dbraw/zinc/22/22/95/806222295.db2.gz HBPLKAOORJEPGR-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001109926471 806222301 /nfs/dbraw/zinc/22/23/01/806222301.db2.gz HBPLKAOORJEPGR-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092188263 793650784 /nfs/dbraw/zinc/65/07/84/793650784.db2.gz MLSHECDQLRFXGL-CTNGQTDRSA-N 2 1 345.531 2.465 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092188320 793650924 /nfs/dbraw/zinc/65/09/24/793650924.db2.gz OYBAKROPYHZXLA-QUCCMNQESA-N 2 1 331.504 2.075 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079162591 794438235 /nfs/dbraw/zinc/43/82/35/794438235.db2.gz RVQFAVPARDCALL-NZSAHSFTSA-N 2 1 345.462 2.238 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCC=C)CC3)CC1 ZINC000992506653 794446716 /nfs/dbraw/zinc/44/67/16/794446716.db2.gz JSQFJMQIJKEWPA-AZUAARDMSA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=C)Cl)CC3)CC1 ZINC000992515739 794473077 /nfs/dbraw/zinc/47/30/77/794473077.db2.gz ZSRWNNBPGIZDTI-IEBWSBKVSA-N 2 1 349.906 2.197 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001093243978 794863952 /nfs/dbraw/zinc/86/39/52/794863952.db2.gz YWDCQJLIOYRTJG-HZPDHXFCSA-N 2 1 331.460 2.052 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC001093224141 794879511 /nfs/dbraw/zinc/87/95/11/794879511.db2.gz LUAGLXLNSOFRCC-YLJYHZDGSA-N 2 1 345.531 2.206 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001093374062 795107924 /nfs/dbraw/zinc/10/79/24/795107924.db2.gz YJWQGYXSVVJYQD-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001093374062 795107927 /nfs/dbraw/zinc/10/79/27/795107927.db2.gz YJWQGYXSVVJYQD-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001093374062 795107929 /nfs/dbraw/zinc/10/79/29/795107929.db2.gz YJWQGYXSVVJYQD-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036853969 795502527 /nfs/dbraw/zinc/50/25/27/795502527.db2.gz CBGAWVHNAWWOCY-IRXDYDNUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001108022062 795617921 /nfs/dbraw/zinc/61/79/21/795617921.db2.gz CKVXBQACTOSONI-LJQANCHMSA-N 2 1 349.519 2.036 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203453618 796396332 /nfs/dbraw/zinc/39/63/32/796396332.db2.gz UGWVOQGCFGOTJV-HOTGVXAUSA-N 2 1 328.460 2.047 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094577634 796419489 /nfs/dbraw/zinc/41/94/89/796419489.db2.gz KNVYZTDYTBQQPM-ZMSDIMECSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577634 796419491 /nfs/dbraw/zinc/41/94/91/796419491.db2.gz KNVYZTDYTBQQPM-ZMSDIMECSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577634 796419495 /nfs/dbraw/zinc/41/94/95/796419495.db2.gz KNVYZTDYTBQQPM-ZMSDIMECSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081227113 796678206 /nfs/dbraw/zinc/67/82/06/796678206.db2.gz QPZWSTNPDMGONO-OKZBNKHCSA-N 2 1 347.890 2.275 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993619633 796845510 /nfs/dbraw/zinc/84/55/10/796845510.db2.gz HIJXKAOSUMYRCK-APWZRJJASA-N 2 1 327.472 2.007 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905466 797926692 /nfs/dbraw/zinc/92/66/92/797926692.db2.gz KUQPBULIHAASHX-BZSNNMDCSA-N 2 1 339.524 2.184 20 30 EEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262283 798059437 /nfs/dbraw/zinc/05/94/37/798059437.db2.gz FGRLTOLFAAQOEP-YJBOKZPZSA-N 2 1 325.472 2.097 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)Cn2c[nH+]c3c2CCCC3)CCCCC1 ZINC001115631727 798060241 /nfs/dbraw/zinc/06/02/41/798060241.db2.gz OGFGUQZHRMZSPI-UHFFFAOYSA-N 2 1 342.487 2.194 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018485 798613456 /nfs/dbraw/zinc/61/34/56/798613456.db2.gz BGKQKEBDDSVGSM-AOIWGVFYSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018485 798613458 /nfs/dbraw/zinc/61/34/58/798613458.db2.gz BGKQKEBDDSVGSM-AOIWGVFYSA-N 2 1 342.487 2.253 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001177415711 798933873 /nfs/dbraw/zinc/93/38/73/798933873.db2.gz JAKOSMMFZPQXPU-IEBWSBKVSA-N 2 1 333.520 2.206 20 30 EEEDMP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003169458 799337259 /nfs/dbraw/zinc/33/72/59/799337259.db2.gz XSPCGKXPTKRSHW-HXUWFJFHSA-N 2 1 339.483 2.103 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003169458 799337265 /nfs/dbraw/zinc/33/72/65/799337265.db2.gz XSPCGKXPTKRSHW-HXUWFJFHSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001178722717 799581026 /nfs/dbraw/zinc/58/10/26/799581026.db2.gz OEZKPQYIPFOCHT-SJORKVTESA-N 2 1 325.472 2.098 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001178722717 799581030 /nfs/dbraw/zinc/58/10/30/799581030.db2.gz OEZKPQYIPFOCHT-SJORKVTESA-N 2 1 325.472 2.098 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001179857193 800135371 /nfs/dbraw/zinc/13/53/71/800135371.db2.gz XFAGSTGEXYHLFQ-KSSFIOAISA-N 2 1 346.450 2.118 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001180260278 800337447 /nfs/dbraw/zinc/33/74/47/800337447.db2.gz WEMNBYHZQJPAFW-IBGZPJMESA-N 2 1 342.487 2.276 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001004471487 802159473 /nfs/dbraw/zinc/15/94/73/802159473.db2.gz XCDSYDQGICXGJF-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608355 802475463 /nfs/dbraw/zinc/47/54/63/802475463.db2.gz YTDFLITZNKXUFE-SFHVURJKSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001033153154 802603791 /nfs/dbraw/zinc/60/37/91/802603791.db2.gz DQAJTTFDEATJMS-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001033153154 802603795 /nfs/dbraw/zinc/60/37/95/802603795.db2.gz DQAJTTFDEATJMS-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001033153154 802603799 /nfs/dbraw/zinc/60/37/99/802603799.db2.gz DQAJTTFDEATJMS-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001033153154 802603804 /nfs/dbraw/zinc/60/38/04/802603804.db2.gz DQAJTTFDEATJMS-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033162639 802701187 /nfs/dbraw/zinc/70/11/87/802701187.db2.gz UGBQXYZZHWMYPQ-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033162639 802701193 /nfs/dbraw/zinc/70/11/93/802701193.db2.gz UGBQXYZZHWMYPQ-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033162639 802701198 /nfs/dbraw/zinc/70/11/98/802701198.db2.gz UGBQXYZZHWMYPQ-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033162639 802701204 /nfs/dbraw/zinc/70/12/04/802701204.db2.gz UGBQXYZZHWMYPQ-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001169125604 803623288 /nfs/dbraw/zinc/62/32/88/803623288.db2.gz JRHVXQABCCCOQL-FVQHAEBGSA-N 2 1 333.476 2.332 20 30 EEEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001169125604 803623292 /nfs/dbraw/zinc/62/32/92/803623292.db2.gz JRHVXQABCCCOQL-FVQHAEBGSA-N 2 1 333.476 2.332 20 30 EEEDMP CC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001169238847 803664859 /nfs/dbraw/zinc/66/48/59/803664859.db2.gz LWZNEILRUFBJIN-UHFFFAOYSA-N 2 1 340.471 2.237 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809141 804086424 /nfs/dbraw/zinc/08/64/24/804086424.db2.gz FSNQOWLIGJCDSP-WMLDXEAASA-N 2 1 348.516 2.479 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001086579255 808142906 /nfs/dbraw/zinc/14/29/06/808142906.db2.gz SZVYOXWEWYQWHL-OTWHNJEPSA-N 2 1 327.472 2.241 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001086579255 808142911 /nfs/dbraw/zinc/14/29/11/808142911.db2.gz SZVYOXWEWYQWHL-OTWHNJEPSA-N 2 1 327.472 2.241 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001086579255 808142916 /nfs/dbraw/zinc/14/29/16/808142916.db2.gz SZVYOXWEWYQWHL-OTWHNJEPSA-N 2 1 327.472 2.241 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001129417460 810832647 /nfs/dbraw/zinc/83/26/47/810832647.db2.gz OKUOHJMLKXNSLU-QGZVFWFLSA-N 2 1 346.450 2.166 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1Cl ZINC001129790603 810989533 /nfs/dbraw/zinc/98/95/33/810989533.db2.gz DADKTEZQIBURHC-PBHICJAKSA-N 2 1 333.863 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1Cl ZINC001129790603 810989538 /nfs/dbraw/zinc/98/95/38/810989538.db2.gz DADKTEZQIBURHC-PBHICJAKSA-N 2 1 333.863 2.204 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001131519042 812923753 /nfs/dbraw/zinc/92/37/53/812923753.db2.gz BYRRXAJNIAZENR-QRVBRYPASA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436840887 1088474560 /nfs/dbraw/zinc/47/45/60/1088474560.db2.gz KLQMFFDLQJWWJO-OAHLLOKOSA-N 2 1 327.900 2.251 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001438407104 1090894265 /nfs/dbraw/zinc/89/42/65/1090894265.db2.gz RPZQAPUVLJLVCQ-UHFFFAOYSA-N 2 1 342.487 2.419 20 30 EEEDMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438508578 1091001540 /nfs/dbraw/zinc/00/15/40/1091001540.db2.gz YSYQBVXACDVNMA-KBXCAEBGSA-N 2 1 346.450 2.024 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001440114828 1093176759 /nfs/dbraw/zinc/17/67/59/1093176759.db2.gz FMUZOXHSQBLVKK-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC001441650994 1095604095 /nfs/dbraw/zinc/60/40/95/1095604095.db2.gz ZEMBTZQZUAVZMU-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001444238230 1098800003 /nfs/dbraw/zinc/80/00/03/1098800003.db2.gz ZKAZCJVJKIZUQL-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001444305704 1098862595 /nfs/dbraw/zinc/86/25/95/1098862595.db2.gz GDRYKBJPLMAXDE-QFBILLFUSA-N 2 1 342.487 2.273 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001446953648 1101651200 /nfs/dbraw/zinc/65/12/00/1101651200.db2.gz SVODNXMEYHETEP-HUUCEWRRSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[C@@H]1C ZINC001499852069 1112513109 /nfs/dbraw/zinc/51/31/09/1112513109.db2.gz CYCPNTULRYDKIT-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CO[C@H]1C[C@@H](C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)[N@H+](C)C1 ZINC000329150626 539767343 /nfs/dbraw/zinc/76/73/43/539767343.db2.gz ZQABRSTVUHVJGL-YJBOKZPZSA-N 2 1 346.475 2.500 20 30 EEEDMP CO[C@H]1C[C@@H](C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)[N@@H+](C)C1 ZINC000329150626 539767346 /nfs/dbraw/zinc/76/73/46/539767346.db2.gz ZQABRSTVUHVJGL-YJBOKZPZSA-N 2 1 346.475 2.500 20 30 EEEDMP C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCN(CCO)CC1 ZINC000427003923 241362895 /nfs/dbraw/zinc/36/28/95/241362895.db2.gz BSJIFJSURQFOPB-UHFFFAOYSA-N 2 1 340.389 2.445 20 30 EEEDMP C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCN(CCO)CC1 ZINC000427003923 241362897 /nfs/dbraw/zinc/36/28/97/241362897.db2.gz BSJIFJSURQFOPB-UHFFFAOYSA-N 2 1 340.389 2.445 20 30 EEEDMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528399314 267017334 /nfs/dbraw/zinc/01/73/34/267017334.db2.gz VOGQMFWBJHXWTG-GOSISDBHSA-N 2 1 331.460 2.104 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131928935 462834427 /nfs/dbraw/zinc/83/44/27/462834427.db2.gz KGLVLFSHCVPWEU-QGZVFWFLSA-N 2 1 339.395 2.494 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491298101 468344526 /nfs/dbraw/zinc/34/45/26/468344526.db2.gz TZNCALHAKIKJLC-LJQANCHMSA-N 2 1 348.535 2.239 20 30 EEEDMP C[N@@H+](CCNC(=O)C1CC[NH+](CCCC#N)CC1)Cc1ccccc1 ZINC000081156125 463399765 /nfs/dbraw/zinc/39/97/65/463399765.db2.gz IKBBORPTDWCOHD-UHFFFAOYSA-N 2 1 342.487 2.250 20 30 EEEDMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000073895227 463667603 /nfs/dbraw/zinc/66/76/03/463667603.db2.gz UUWAMDVPWWURAJ-LJQANCHMSA-N 2 1 345.487 2.297 20 30 EEEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000073895227 463667607 /nfs/dbraw/zinc/66/76/07/463667607.db2.gz UUWAMDVPWWURAJ-LJQANCHMSA-N 2 1 345.487 2.297 20 30 EEEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000264131937 464286678 /nfs/dbraw/zinc/28/66/78/464286678.db2.gz YFGKPWCABXRZFC-INIZCTEOSA-N 2 1 343.519 2.176 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000264316290 464294294 /nfs/dbraw/zinc/29/42/94/464294294.db2.gz WDMRQRWFQWGZAH-DLBZAZTESA-N 2 1 347.507 2.114 20 30 EEEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264316290 464294299 /nfs/dbraw/zinc/29/42/99/464294299.db2.gz WDMRQRWFQWGZAH-DLBZAZTESA-N 3 1 347.507 2.114 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264316290 464294305 /nfs/dbraw/zinc/29/43/05/464294305.db2.gz WDMRQRWFQWGZAH-DLBZAZTESA-N 3 1 347.507 2.114 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000294987167 464671816 /nfs/dbraw/zinc/67/18/16/464671816.db2.gz KZWDIGHYPLPOSR-UHFFFAOYSA-N 2 1 325.456 2.364 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000294987167 464671819 /nfs/dbraw/zinc/67/18/19/464671819.db2.gz KZWDIGHYPLPOSR-UHFFFAOYSA-N 2 1 325.456 2.364 20 30 EEEDMP C=CCN1CC[C@@H](N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740026 464677710 /nfs/dbraw/zinc/67/77/10/464677710.db2.gz YCGNTKOGKMBZEX-TZIWHRDSSA-N 2 1 339.483 2.371 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593884533 468419666 /nfs/dbraw/zinc/41/96/66/468419666.db2.gz XXADFPWZTLEWEL-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268099609 464950646 /nfs/dbraw/zinc/95/06/46/464950646.db2.gz WHULKCAGEHHUTQ-CYBMUJFWSA-N 2 1 339.827 2.137 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000330018784 465508061 /nfs/dbraw/zinc/50/80/61/465508061.db2.gz UCBKKKBXEDKEFE-HNNXBMFYSA-N 2 1 344.463 2.400 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000330018784 465508065 /nfs/dbraw/zinc/50/80/65/465508065.db2.gz UCBKKKBXEDKEFE-HNNXBMFYSA-N 2 1 344.463 2.400 20 30 EEEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372169878 466201329 /nfs/dbraw/zinc/20/13/29/466201329.db2.gz PWZLQOTWXNUYLQ-LJQANCHMSA-N 2 1 342.487 2.167 20 30 EEEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372169878 466201338 /nfs/dbraw/zinc/20/13/38/466201338.db2.gz PWZLQOTWXNUYLQ-LJQANCHMSA-N 2 1 342.487 2.167 20 30 EEEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C1 ZINC000370556548 466921250 /nfs/dbraw/zinc/92/12/50/466921250.db2.gz HSSCXIQRSDRLAW-IBGZPJMESA-N 2 1 342.487 2.039 20 30 EEEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C1 ZINC000370556548 466921253 /nfs/dbraw/zinc/92/12/53/466921253.db2.gz HSSCXIQRSDRLAW-IBGZPJMESA-N 2 1 342.487 2.039 20 30 EEEDMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528369620 467681494 /nfs/dbraw/zinc/68/14/94/467681494.db2.gz WDJCSSMNNZWYMZ-GOSISDBHSA-N 2 1 331.460 2.103 20 30 EEEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528369620 467681498 /nfs/dbraw/zinc/68/14/98/467681498.db2.gz WDJCSSMNNZWYMZ-GOSISDBHSA-N 2 1 331.460 2.103 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437801 468586685 /nfs/dbraw/zinc/58/66/85/468586685.db2.gz KXSBYJHBHCQTJE-AEFFLSMTSA-N 2 1 328.460 2.131 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437801 468586689 /nfs/dbraw/zinc/58/66/89/468586689.db2.gz KXSBYJHBHCQTJE-AEFFLSMTSA-N 2 1 328.460 2.131 20 30 EEEDMP CN(c1ccccc1C[N@H+]1CC[C@@](O)(CC#N)C1)C1CC[NH+](C)CC1 ZINC000592522130 468719107 /nfs/dbraw/zinc/71/91/07/468719107.db2.gz IFJCIRUNCKJUOA-FQEVSTJZSA-N 2 1 342.487 2.067 20 30 EEEDMP C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000595409069 468841349 /nfs/dbraw/zinc/84/13/49/468841349.db2.gz KCEGSDHEPBFABZ-YLJYHZDGSA-N 2 1 326.488 2.059 20 30 EEEDMP C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000595409069 468841355 /nfs/dbraw/zinc/84/13/55/468841355.db2.gz KCEGSDHEPBFABZ-YLJYHZDGSA-N 2 1 326.488 2.059 20 30 EEEDMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1C#N ZINC000593315544 468936864 /nfs/dbraw/zinc/93/68/64/468936864.db2.gz LEVNTQUOGCCKQO-SCTDSRPQSA-N 2 1 329.444 2.285 20 30 EEEDMP C=CCn1cccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000562335527 468938114 /nfs/dbraw/zinc/93/81/14/468938114.db2.gz UUBWWZCDYMWESR-UHFFFAOYSA-N 2 1 325.416 2.073 20 30 EEEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845385 469113483 /nfs/dbraw/zinc/11/34/83/469113483.db2.gz JEBZWFITDYLIBJ-MRXNPFEDSA-N 2 1 349.438 2.493 20 30 EEEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845385 469113489 /nfs/dbraw/zinc/11/34/89/469113489.db2.gz JEBZWFITDYLIBJ-MRXNPFEDSA-N 2 1 349.438 2.493 20 30 EEEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000611392005 469240073 /nfs/dbraw/zinc/24/00/73/469240073.db2.gz IJPFZGFBKLJUSW-IEBWSBKVSA-N 2 1 340.471 2.113 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000574062681 469255122 /nfs/dbraw/zinc/25/51/22/469255122.db2.gz PIMJYPWLIPDGNO-UHFFFAOYSA-N 2 1 339.374 2.096 20 30 EEEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000369592924 526723379 /nfs/dbraw/zinc/72/33/79/526723379.db2.gz ROMADZJUUJNMNV-HXUWFJFHSA-N 2 1 339.483 2.255 20 30 EEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093132665 526871902 /nfs/dbraw/zinc/87/19/02/526871902.db2.gz MQAIQNPZNQTKTO-IBGZPJMESA-N 2 1 329.488 2.463 20 30 EEEDMP C=CCOc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000171926379 526900302 /nfs/dbraw/zinc/90/03/02/526900302.db2.gz RNWKLOJCAWNZMN-UHFFFAOYSA-N 2 1 329.488 2.465 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1c(C)nc2ccccc21 ZINC000104156036 529100332 /nfs/dbraw/zinc/10/03/32/529100332.db2.gz PSVOFBANFBRRNU-INIZCTEOSA-N 2 1 342.491 2.123 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCC2)CC1 ZINC001021470020 676119169 /nfs/dbraw/zinc/11/91/69/676119169.db2.gz RMSONOFQLUSDJS-IHWFROFDSA-N 2 1 343.515 2.243 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133672 675633830 /nfs/dbraw/zinc/63/38/30/675633830.db2.gz JWFNATMLONYXAK-RTBURBONSA-N 2 1 333.520 2.463 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001022165752 676713159 /nfs/dbraw/zinc/71/31/59/676713159.db2.gz DVHWVKGVJVZGBI-VBQJREDUSA-N 2 1 346.500 2.231 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001022221949 676743461 /nfs/dbraw/zinc/74/34/61/676743461.db2.gz SORTWFXMKYFNCJ-WCIQWLHISA-N 2 1 339.483 2.472 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001022221949 676743462 /nfs/dbraw/zinc/74/34/62/676743462.db2.gz SORTWFXMKYFNCJ-WCIQWLHISA-N 2 1 339.483 2.472 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C)c2)C1 ZINC000971703230 676747733 /nfs/dbraw/zinc/74/77/33/676747733.db2.gz BAOPOGVRALPMKH-ROUUACIJSA-N 2 1 345.512 2.187 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C)c2)C1 ZINC000971703230 676747735 /nfs/dbraw/zinc/74/77/35/676747735.db2.gz BAOPOGVRALPMKH-ROUUACIJSA-N 2 1 345.512 2.187 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2csc(C)c2)C1 ZINC000971703230 676747736 /nfs/dbraw/zinc/74/77/36/676747736.db2.gz BAOPOGVRALPMKH-ROUUACIJSA-N 2 1 345.512 2.187 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2csc(C)c2)C1 ZINC000971703230 676747739 /nfs/dbraw/zinc/74/77/39/676747739.db2.gz BAOPOGVRALPMKH-ROUUACIJSA-N 2 1 345.512 2.187 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001022596411 677973414 /nfs/dbraw/zinc/97/34/14/677973414.db2.gz KEQNDEZDDNGLQM-UDTPNQRGSA-N 2 1 340.471 2.025 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972582557 679350360 /nfs/dbraw/zinc/35/03/60/679350360.db2.gz MHFACAHQNDRERN-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972582557 679350362 /nfs/dbraw/zinc/35/03/62/679350362.db2.gz MHFACAHQNDRERN-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000972582546 679350460 /nfs/dbraw/zinc/35/04/60/679350460.db2.gz MBFTWHBMRKWEBE-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000972582546 679350463 /nfs/dbraw/zinc/35/04/63/679350463.db2.gz MBFTWHBMRKWEBE-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000972582546 679350467 /nfs/dbraw/zinc/35/04/67/679350467.db2.gz MBFTWHBMRKWEBE-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000972582546 679350471 /nfs/dbraw/zinc/35/04/71/679350471.db2.gz MBFTWHBMRKWEBE-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001023761520 679567076 /nfs/dbraw/zinc/56/70/76/679567076.db2.gz BQWVJHGJLYHHRJ-SFHVURJKSA-N 2 1 331.504 2.126 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811350 681463099 /nfs/dbraw/zinc/46/30/99/681463099.db2.gz RDNNXLPTLBJLPK-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028542066 681864285 /nfs/dbraw/zinc/86/42/85/681864285.db2.gz KWCGINFOYODDOH-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028802591 682257514 /nfs/dbraw/zinc/25/75/14/682257514.db2.gz QVNOFSMQWLSWFW-SFHVURJKSA-N 2 1 329.488 2.419 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253582 682342296 /nfs/dbraw/zinc/34/22/96/682342296.db2.gz WKTQQCHLVIMMBF-QZTJIDSGSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253582 682342300 /nfs/dbraw/zinc/34/23/00/682342300.db2.gz WKTQQCHLVIMMBF-QZTJIDSGSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585070 683042113 /nfs/dbraw/zinc/04/21/13/683042113.db2.gz NFNGVIARRPMTHE-IEBWSBKVSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC(=C)C)C2)CC1 ZINC001025631224 683169707 /nfs/dbraw/zinc/16/97/07/683169707.db2.gz YRACNXQNPWSHBA-HKUYNNGSSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801460 683970718 /nfs/dbraw/zinc/97/07/18/683970718.db2.gz NGQQNAYCVRSGEA-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC000984047272 684017585 /nfs/dbraw/zinc/01/75/85/684017585.db2.gz JPOHPHLHXNBEIL-SNRMKQJTSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]12 ZINC001026370230 684465869 /nfs/dbraw/zinc/46/58/69/684465869.db2.gz QWWVJAAQARSIKB-BRWVUGGUSA-N 2 1 330.476 2.409 20 30 EEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001026561386 684741896 /nfs/dbraw/zinc/74/18/96/684741896.db2.gz YQKOOENRMSTOKG-JTTJXQCZSA-N 2 1 325.472 2.402 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598439 685114335 /nfs/dbraw/zinc/11/43/35/685114335.db2.gz CIWFKVCTKWATSD-HKUYNNGSSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974686918 685224791 /nfs/dbraw/zinc/22/47/91/685224791.db2.gz ZEZUYTOPEWTZTF-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974686918 685224793 /nfs/dbraw/zinc/22/47/93/685224793.db2.gz ZEZUYTOPEWTZTF-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974686918 685224797 /nfs/dbraw/zinc/22/47/97/685224797.db2.gz ZEZUYTOPEWTZTF-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP C[NH+]=C(NCc1ccccc1Cl)NC[C@]1([NH+](C)C)CCSC1 ZINC000262470406 686251265 /nfs/dbraw/zinc/25/12/65/686251265.db2.gz ZYPJPSRONOCEDY-MRXNPFEDSA-N 2 1 340.924 2.442 20 30 EEEDMP C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262797394 688486413 /nfs/dbraw/zinc/48/64/13/688486413.db2.gz OKNJIEBMECJXQO-GFCCVEGCSA-N 2 1 345.472 2.305 20 30 EEEDMP C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262797394 688486415 /nfs/dbraw/zinc/48/64/15/688486415.db2.gz OKNJIEBMECJXQO-GFCCVEGCSA-N 2 1 345.472 2.305 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C(C)(C)C1 ZINC000977450047 692635522 /nfs/dbraw/zinc/63/55/22/692635522.db2.gz NCOTVYOSXBWZRV-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C(C)(C)C1 ZINC000977450047 692635527 /nfs/dbraw/zinc/63/55/27/692635527.db2.gz NCOTVYOSXBWZRV-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977450047 692635532 /nfs/dbraw/zinc/63/55/32/692635532.db2.gz NCOTVYOSXBWZRV-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977450047 692635535 /nfs/dbraw/zinc/63/55/35/692635535.db2.gz NCOTVYOSXBWZRV-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040245701 692637351 /nfs/dbraw/zinc/63/73/51/692637351.db2.gz WMDSPLYLJRVGMH-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040245701 692637352 /nfs/dbraw/zinc/63/73/52/692637352.db2.gz WMDSPLYLJRVGMH-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040245701 692637354 /nfs/dbraw/zinc/63/73/54/692637354.db2.gz WMDSPLYLJRVGMH-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977646009 692874692 /nfs/dbraw/zinc/87/46/92/692874692.db2.gz VPCBECBPTDRVOK-GOSISDBHSA-N 2 1 327.472 2.212 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001482213113 1184173507 /nfs/dbraw/zinc/17/35/07/1184173507.db2.gz CKAASDAKZQGFIK-SFHVURJKSA-N 2 1 340.471 2.171 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001076245590 1188808338 /nfs/dbraw/zinc/80/83/38/1188808338.db2.gz JPNRHZXYLUIYFF-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001076245590 1188808343 /nfs/dbraw/zinc/80/83/43/1188808343.db2.gz JPNRHZXYLUIYFF-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001486124250 1193688737 /nfs/dbraw/zinc/68/87/37/1193688737.db2.gz NJLMLMWYIKQZPJ-AEFFLSMTSA-N 2 1 349.906 2.492 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001033685910 1195068476 /nfs/dbraw/zinc/06/84/76/1195068476.db2.gz XEFYASYQYRSYDQ-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001034047120 1195698561 /nfs/dbraw/zinc/69/85/61/1195698561.db2.gz ZGOBBGUCTYPQLP-OOYWPUHTSA-N 2 1 337.895 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001034047120 1195698568 /nfs/dbraw/zinc/69/85/68/1195698568.db2.gz ZGOBBGUCTYPQLP-OOYWPUHTSA-N 2 1 337.895 2.007 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC001034138110 1195810864 /nfs/dbraw/zinc/81/08/64/1195810864.db2.gz NSXFTRPLUXOMAT-RHSMWYFYSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034664187 1196475183 /nfs/dbraw/zinc/47/51/83/1196475183.db2.gz XXURVTNEIYHYIA-LKIAZTKLSA-N 2 1 331.504 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034664187 1196475184 /nfs/dbraw/zinc/47/51/84/1196475184.db2.gz XXURVTNEIYHYIA-LKIAZTKLSA-N 2 1 331.504 2.147 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001034963216 1196944894 /nfs/dbraw/zinc/94/48/94/1196944894.db2.gz TZBDXDQIASGMEA-MSOLQXFVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001034963216 1196944896 /nfs/dbraw/zinc/94/48/96/1196944896.db2.gz TZBDXDQIASGMEA-MSOLQXFVSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H]21 ZINC001273146501 1197026460 /nfs/dbraw/zinc/02/64/60/1197026460.db2.gz NTUGBQDQZJBHCM-PKOBYXMFSA-N 2 1 342.487 2.090 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132377704 1199639557 /nfs/dbraw/zinc/63/95/57/1199639557.db2.gz ZPBFVOAHTPNJLC-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132377704 1199639562 /nfs/dbraw/zinc/63/95/62/1199639562.db2.gz ZPBFVOAHTPNJLC-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(Cc2ccccn2)C(=O)CC[NH+](C)C)CC1 ZINC001132554553 1199860250 /nfs/dbraw/zinc/86/02/50/1199860250.db2.gz IYULJBGTEQEWCN-IBGZPJMESA-N 2 1 344.503 2.402 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCCCCC)C[C@H]21 ZINC001114421181 1201796772 /nfs/dbraw/zinc/79/67/72/1201796772.db2.gz MTSKSMSZMZGAAU-ZSYWTGECSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCCC)C[C@H]21 ZINC001114421181 1201796774 /nfs/dbraw/zinc/79/67/74/1201796774.db2.gz MTSKSMSZMZGAAU-ZSYWTGECSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCCCCC)C[C@H]21 ZINC001114421181 1201796776 /nfs/dbraw/zinc/79/67/76/1201796776.db2.gz MTSKSMSZMZGAAU-ZSYWTGECSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCCCCC)C[C@H]21 ZINC001114421181 1201796779 /nfs/dbraw/zinc/79/67/79/1201796779.db2.gz MTSKSMSZMZGAAU-ZSYWTGECSA-N 2 1 331.504 2.101 20 30 EEEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437937 1207380862 /nfs/dbraw/zinc/38/08/62/1207380862.db2.gz CSZMNRABEZDLFC-OKZBNKHCSA-N 2 1 340.471 2.205 20 30 EEEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437937 1207380863 /nfs/dbraw/zinc/38/08/63/1207380863.db2.gz CSZMNRABEZDLFC-OKZBNKHCSA-N 2 1 340.471 2.205 20 30 EEEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437937 1207380867 /nfs/dbraw/zinc/38/08/67/1207380867.db2.gz CSZMNRABEZDLFC-OKZBNKHCSA-N 2 1 340.471 2.205 20 30 EEEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437937 1207380869 /nfs/dbraw/zinc/38/08/69/1207380869.db2.gz CSZMNRABEZDLFC-OKZBNKHCSA-N 2 1 340.471 2.205 20 30 EEEDMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC#Cc1ccccc1 ZINC000948039477 1208834160 /nfs/dbraw/zinc/83/41/60/1208834160.db2.gz HMPXZDDDNBDQHK-ICSRJNTNSA-N 2 1 339.483 2.103 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCOc1ccc(F)cc1 ZINC000303788206 1213905946 /nfs/dbraw/zinc/90/59/46/1213905946.db2.gz UBKSRYMGJFLJND-MRXNPFEDSA-N 2 1 336.455 2.373 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603435 1215248384 /nfs/dbraw/zinc/24/83/84/1215248384.db2.gz SDPCVGYLYOKEMR-ZWKOTPCHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000960332687 1216499791 /nfs/dbraw/zinc/49/97/91/1216499791.db2.gz DCYIFSVRCAOHEO-GUDVDZBRSA-N 2 1 327.472 2.419 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960485247 1216620129 /nfs/dbraw/zinc/62/01/29/1216620129.db2.gz CJCLVQULKMGORE-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000960485247 1216620131 /nfs/dbraw/zinc/62/01/31/1216620131.db2.gz CJCLVQULKMGORE-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000960485247 1216620133 /nfs/dbraw/zinc/62/01/33/1216620133.db2.gz CJCLVQULKMGORE-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccsc1 ZINC000960674630 1216784794 /nfs/dbraw/zinc/78/47/94/1216784794.db2.gz AJDCLALTMGNICP-MSOLQXFVSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccsc1 ZINC000960674630 1216784797 /nfs/dbraw/zinc/78/47/97/1216784797.db2.gz AJDCLALTMGNICP-MSOLQXFVSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000960674630 1216784801 /nfs/dbraw/zinc/78/48/01/1216784801.db2.gz AJDCLALTMGNICP-MSOLQXFVSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000960674630 1216784804 /nfs/dbraw/zinc/78/48/04/1216784804.db2.gz AJDCLALTMGNICP-MSOLQXFVSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199639 1217085141 /nfs/dbraw/zinc/08/51/41/1217085141.db2.gz LARFNRJVJBQIJD-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)C1)C2 ZINC000963960842 1218155027 /nfs/dbraw/zinc/15/50/27/1218155027.db2.gz JYKZRCFYMGVWQN-WLGSGIEKSA-N 2 1 343.515 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)C1)C2 ZINC000963960842 1218155032 /nfs/dbraw/zinc/15/50/32/1218155032.db2.gz JYKZRCFYMGVWQN-WLGSGIEKSA-N 2 1 343.515 2.147 20 30 EEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000964643726 1218507517 /nfs/dbraw/zinc/50/75/17/1218507517.db2.gz JKBNHHANCUSITB-HNSLBZJHSA-N 2 1 343.515 2.434 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928464 1221679561 /nfs/dbraw/zinc/67/95/61/1221679561.db2.gz LNRUVYOQECKZTN-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928464 1221679565 /nfs/dbraw/zinc/67/95/65/1221679565.db2.gz LNRUVYOQECKZTN-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002374 1221730408 /nfs/dbraw/zinc/73/04/08/1221730408.db2.gz ROFBOZGSRHUNCJ-ROUUACIJSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002374 1221730412 /nfs/dbraw/zinc/73/04/12/1221730412.db2.gz ROFBOZGSRHUNCJ-ROUUACIJSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(CC)CC)C2)CC1 ZINC001009630509 1223310084 /nfs/dbraw/zinc/31/00/84/1223310084.db2.gz WYEMXVZGAIYAJL-LJQANCHMSA-N 2 1 333.520 2.348 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001038632597 1226610538 /nfs/dbraw/zinc/61/05/38/1226610538.db2.gz YTUJJSXPTCGTJO-KKUMJFAQSA-N 2 1 346.500 2.041 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040209621 1231105325 /nfs/dbraw/zinc/10/53/25/1231105325.db2.gz LJRGAZMEFARCMY-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209621 1231105327 /nfs/dbraw/zinc/10/53/27/1231105327.db2.gz LJRGAZMEFARCMY-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209621 1231105330 /nfs/dbraw/zinc/10/53/30/1231105330.db2.gz LJRGAZMEFARCMY-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040493776 1231262593 /nfs/dbraw/zinc/26/25/93/1231262593.db2.gz QGZTZWQWNAHANI-HXUWFJFHSA-N 2 1 340.471 2.099 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040493776 1231262595 /nfs/dbraw/zinc/26/25/95/1231262595.db2.gz QGZTZWQWNAHANI-HXUWFJFHSA-N 2 1 340.471 2.099 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001040745289 1231355989 /nfs/dbraw/zinc/35/59/89/1231355989.db2.gz KWXKIXWJTXPQIN-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040848213 1231386985 /nfs/dbraw/zinc/38/69/85/1231386985.db2.gz FVXPQOHNELNKRZ-ZBFHGGJFSA-N 2 1 339.911 2.251 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844925 1231728186 /nfs/dbraw/zinc/72/81/86/1231728186.db2.gz PMAQKGHSLGBTJI-OAQYLSRUSA-N 2 1 339.483 2.310 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234927 1231974027 /nfs/dbraw/zinc/97/40/27/1231974027.db2.gz PPIXBUUTTXSRAB-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234927 1231974030 /nfs/dbraw/zinc/97/40/30/1231974030.db2.gz PPIXBUUTTXSRAB-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234927 1231974034 /nfs/dbraw/zinc/97/40/34/1231974034.db2.gz PPIXBUUTTXSRAB-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234927 1231974038 /nfs/dbraw/zinc/97/40/38/1231974038.db2.gz PPIXBUUTTXSRAB-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042256437 1231986508 /nfs/dbraw/zinc/98/65/08/1231986508.db2.gz XDXXIZKIGMMMQB-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042256437 1231986511 /nfs/dbraw/zinc/98/65/11/1231986511.db2.gz XDXXIZKIGMMMQB-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001045536813 1233798981 /nfs/dbraw/zinc/79/89/81/1233798981.db2.gz CYHCSBQEZQQMPI-MRXNPFEDSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045938826 1234193958 /nfs/dbraw/zinc/19/39/58/1234193958.db2.gz MARMCTWJOBAXML-GGPKGHCWSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938826 1234193961 /nfs/dbraw/zinc/19/39/61/1234193961.db2.gz MARMCTWJOBAXML-GGPKGHCWSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938826 1234193963 /nfs/dbraw/zinc/19/39/63/1234193963.db2.gz MARMCTWJOBAXML-GGPKGHCWSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045947539 1234210134 /nfs/dbraw/zinc/21/01/34/1234210134.db2.gz GNWPLYXSFVOAJG-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045947539 1234210137 /nfs/dbraw/zinc/21/01/37/1234210137.db2.gz GNWPLYXSFVOAJG-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045947539 1234210139 /nfs/dbraw/zinc/21/01/39/1234210139.db2.gz GNWPLYXSFVOAJG-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045960177 1234234649 /nfs/dbraw/zinc/23/46/49/1234234649.db2.gz BTTKGPHXZBISRO-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045960177 1234234651 /nfs/dbraw/zinc/23/46/51/1234234651.db2.gz BTTKGPHXZBISRO-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045960177 1234234656 /nfs/dbraw/zinc/23/46/56/1234234656.db2.gz BTTKGPHXZBISRO-BJLQDIEVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966169 1234244986 /nfs/dbraw/zinc/24/49/86/1234244986.db2.gz QCCMJKHREQKGGV-OAQYLSRUSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045966169 1234244990 /nfs/dbraw/zinc/24/49/90/1234244990.db2.gz QCCMJKHREQKGGV-OAQYLSRUSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045966169 1234244994 /nfs/dbraw/zinc/24/49/94/1234244994.db2.gz QCCMJKHREQKGGV-OAQYLSRUSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045966890 1234246497 /nfs/dbraw/zinc/24/64/97/1234246497.db2.gz IRVRXSPIEFFIBU-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045966890 1234246502 /nfs/dbraw/zinc/24/65/02/1234246502.db2.gz IRVRXSPIEFFIBU-ICSRJNTNSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046731157 1235123278 /nfs/dbraw/zinc/12/32/78/1235123278.db2.gz IKISCPKCAVKDSZ-GOSISDBHSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046731157 1235123280 /nfs/dbraw/zinc/12/32/80/1235123280.db2.gz IKISCPKCAVKDSZ-GOSISDBHSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001046850603 1235248139 /nfs/dbraw/zinc/24/81/39/1235248139.db2.gz XOAUZIORLHDMKB-FQEVSTJZSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046953325 1235349518 /nfs/dbraw/zinc/34/95/18/1235349518.db2.gz CTLKSIUOIOTAMD-CQSZACIVSA-N 2 1 334.370 2.207 20 30 EEEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046992874 1235404893 /nfs/dbraw/zinc/40/48/93/1235404893.db2.gz FNYSPPSQCKAYRT-KRWDZBQOSA-N 2 1 349.425 2.068 20 30 EEEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046992874 1235404900 /nfs/dbraw/zinc/40/49/00/1235404900.db2.gz FNYSPPSQCKAYRT-KRWDZBQOSA-N 2 1 349.425 2.068 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001048536953 1237905767 /nfs/dbraw/zinc/90/57/67/1237905767.db2.gz GSGZWSLGUCUOJP-BCDXTJNWSA-N 2 1 331.504 2.408 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001048584142 1238026762 /nfs/dbraw/zinc/02/67/62/1238026762.db2.gz UXCAXMKIKBTOLH-BJWYYQGGSA-N 2 1 340.471 2.144 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107414 1240019179 /nfs/dbraw/zinc/01/91/79/1240019179.db2.gz ISEIGRYOWJZRHR-FCGDIQPGSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107414 1240019187 /nfs/dbraw/zinc/01/91/87/1240019187.db2.gz ISEIGRYOWJZRHR-FCGDIQPGSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107414 1240019193 /nfs/dbraw/zinc/01/91/93/1240019193.db2.gz ISEIGRYOWJZRHR-FCGDIQPGSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001000196221 1240052533 /nfs/dbraw/zinc/05/25/33/1240052533.db2.gz CQGOOHHOFCIFPI-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001049161567 1240156760 /nfs/dbraw/zinc/15/67/60/1240156760.db2.gz ZNRQDVFBROJLJO-KDURUIRLSA-N 2 1 331.504 2.075 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235416 1240340334 /nfs/dbraw/zinc/34/03/34/1240340334.db2.gz KALZQNIVFOCBBR-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049791089 1242194150 /nfs/dbraw/zinc/19/41/50/1242194150.db2.gz PQRLKMJNOVMJET-PMACEKPBSA-N 2 1 339.483 2.450 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049914121 1242681961 /nfs/dbraw/zinc/68/19/61/1242681961.db2.gz MUJKLAAANFMPHE-ZCNNSNEGSA-N 2 1 339.483 2.378 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049914121 1242681967 /nfs/dbraw/zinc/68/19/67/1242681967.db2.gz MUJKLAAANFMPHE-ZCNNSNEGSA-N 2 1 339.483 2.378 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073899217 1242762156 /nfs/dbraw/zinc/76/21/56/1242762156.db2.gz NVRNVGYLGMUYJJ-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899217 1242762162 /nfs/dbraw/zinc/76/21/62/1242762162.db2.gz NVRNVGYLGMUYJJ-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899217 1242762171 /nfs/dbraw/zinc/76/21/71/1242762171.db2.gz NVRNVGYLGMUYJJ-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001050766406 1244322049 /nfs/dbraw/zinc/32/20/49/1244322049.db2.gz XZDFWCGPHPQRKH-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052827918 1245092918 /nfs/dbraw/zinc/09/29/18/1245092918.db2.gz XAJXRBLAVWPVCA-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052827918 1245092926 /nfs/dbraw/zinc/09/29/26/1245092926.db2.gz XAJXRBLAVWPVCA-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC=C(C)C)CC2)CC1 ZINC001052952326 1245541502 /nfs/dbraw/zinc/54/15/02/1245541502.db2.gz CPTCXXXNZAVIEP-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@]2(C)C1 ZINC001101310491 1245643039 /nfs/dbraw/zinc/64/30/39/1245643039.db2.gz IXKMBUYSTWZHLM-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054216 1245783658 /nfs/dbraw/zinc/78/36/58/1245783658.db2.gz JEFSVSDYWCQCQR-RTBURBONSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054216 1245783663 /nfs/dbraw/zinc/78/36/63/1245783663.db2.gz JEFSVSDYWCQCQR-RTBURBONSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464574 1245865320 /nfs/dbraw/zinc/86/53/20/1245865320.db2.gz NSDLIGLENUNKQF-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001101548960 1245953232 /nfs/dbraw/zinc/95/32/32/1245953232.db2.gz SKAFACSGIWDROK-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)O2 ZINC001053646709 1246584247 /nfs/dbraw/zinc/58/42/47/1246584247.db2.gz CRPGBKVRVFWQEB-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145509 1247518655 /nfs/dbraw/zinc/51/86/55/1247518655.db2.gz QWZQJWXDZYMWDZ-PXNSSMCTSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145509 1247518664 /nfs/dbraw/zinc/51/86/64/1247518664.db2.gz QWZQJWXDZYMWDZ-PXNSSMCTSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054147781 1247526615 /nfs/dbraw/zinc/52/66/15/1247526615.db2.gz XYPOOANQZRRAPD-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001054147781 1247526625 /nfs/dbraw/zinc/52/66/25/1247526625.db2.gz XYPOOANQZRRAPD-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001054147781 1247526633 /nfs/dbraw/zinc/52/66/33/1247526633.db2.gz XYPOOANQZRRAPD-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209330 1247724103 /nfs/dbraw/zinc/72/41/03/1247724103.db2.gz OWEZMUCRVFPEFH-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CCC=C)C2 ZINC001054267874 1247941873 /nfs/dbraw/zinc/94/18/73/1247941873.db2.gz IOUSYFLHPGLNST-FQEVSTJZSA-N 2 1 337.467 2.292 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CCC=C)C2 ZINC001054267874 1247941883 /nfs/dbraw/zinc/94/18/83/1247941883.db2.gz IOUSYFLHPGLNST-FQEVSTJZSA-N 2 1 337.467 2.292 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CCC=C)C2 ZINC001054267874 1247941892 /nfs/dbraw/zinc/94/18/92/1247941892.db2.gz IOUSYFLHPGLNST-FQEVSTJZSA-N 2 1 337.467 2.292 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CCC=C)C2 ZINC001054267874 1247941901 /nfs/dbraw/zinc/94/19/01/1247941901.db2.gz IOUSYFLHPGLNST-FQEVSTJZSA-N 2 1 337.467 2.292 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001054296168 1248077053 /nfs/dbraw/zinc/07/70/53/1248077053.db2.gz GROCMBBYCHKNCS-SXLOBPIMSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001054296168 1248077061 /nfs/dbraw/zinc/07/70/61/1248077061.db2.gz GROCMBBYCHKNCS-SXLOBPIMSA-N 2 1 339.483 2.426 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C(F)(F)F ZINC001099275233 1258054358 /nfs/dbraw/zinc/05/43/58/1258054358.db2.gz VTMOSRCNSLKZDY-RBSFLKMASA-N 2 1 347.425 2.272 20 30 EEEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001099552967 1258201822 /nfs/dbraw/zinc/20/18/22/1258201822.db2.gz QJNUWGQPVHFNII-MUGJNUQGSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001185669544 1278755000 /nfs/dbraw/zinc/75/50/00/1278755000.db2.gz SWUSRSNFUJICGX-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191050686 1281208446 /nfs/dbraw/zinc/20/84/46/1281208446.db2.gz LBEUIPCDVHDOQY-SFHVURJKSA-N 2 1 330.476 2.407 20 30 EEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424267 1282502240 /nfs/dbraw/zinc/50/22/40/1282502240.db2.gz KJESMQUPAJDWPD-RTBURBONSA-N 2 1 327.472 2.235 20 30 EEEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424267 1282502245 /nfs/dbraw/zinc/50/22/45/1282502245.db2.gz KJESMQUPAJDWPD-RTBURBONSA-N 2 1 327.472 2.235 20 30 EEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424267 1282502251 /nfs/dbraw/zinc/50/22/51/1282502251.db2.gz KJESMQUPAJDWPD-RTBURBONSA-N 2 1 327.472 2.235 20 30 EEEDMP C=CCC[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1OC ZINC001198797218 1285369300 /nfs/dbraw/zinc/36/93/00/1285369300.db2.gz REBIFWRZJRTXOR-KRWDZBQOSA-N 2 1 342.443 2.223 20 30 EEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198959400 1285442574 /nfs/dbraw/zinc/44/25/74/1285442574.db2.gz AQBFMHLITOGRGL-AEFFLSMTSA-N 2 1 345.487 2.360 20 30 EEEDMP C=CCC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198960692 1285444735 /nfs/dbraw/zinc/44/47/35/1285444735.db2.gz LGXUDEPZCBJUQO-AEFFLSMTSA-N 2 1 345.487 2.360 20 30 EEEDMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+](C)CCC)c1ccccc1OC ZINC001198966993 1285449398 /nfs/dbraw/zinc/44/93/98/1285449398.db2.gz AFVGJZKKTLOVHI-QGZVFWFLSA-N 2 1 333.476 2.360 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001201762470 1289747688 /nfs/dbraw/zinc/74/76/88/1289747688.db2.gz MEVNYTDYAITHJW-QZTJIDSGSA-N 2 1 339.524 2.068 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202148534 1289931352 /nfs/dbraw/zinc/93/13/52/1289931352.db2.gz XMYQXZAGJIMVIS-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCC3CC3)C2)CC1 ZINC001072095585 1295238271 /nfs/dbraw/zinc/23/82/71/1295238271.db2.gz KWCXXEHJCCDYDO-QFBILLFUSA-N 2 1 331.504 2.101 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213721378 1296146415 /nfs/dbraw/zinc/14/64/15/1296146415.db2.gz MNTVNEXFYDQFJZ-RCCFBDPRSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213721378 1296146419 /nfs/dbraw/zinc/14/64/19/1296146419.db2.gz MNTVNEXFYDQFJZ-RCCFBDPRSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213721378 1296146423 /nfs/dbraw/zinc/14/64/23/1296146423.db2.gz MNTVNEXFYDQFJZ-RCCFBDPRSA-N 2 1 339.524 2.114 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C(F)(F)F ZINC001099345733 1299065224 /nfs/dbraw/zinc/06/52/24/1299065224.db2.gz QRIWMJAVNCZDOH-MGPQQGTHSA-N 2 1 333.398 2.026 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223707246 1300236581 /nfs/dbraw/zinc/23/65/81/1300236581.db2.gz QYNOIYFMTGGMGT-CEXWTWQISA-N 2 1 333.520 2.299 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157862 1300446378 /nfs/dbraw/zinc/44/63/78/1300446378.db2.gz QWILIMIMDAZINP-HZPDHXFCSA-N 2 1 330.476 2.022 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157862 1300446385 /nfs/dbraw/zinc/44/63/85/1300446385.db2.gz QWILIMIMDAZINP-HZPDHXFCSA-N 2 1 330.476 2.022 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC001226860780 1301587937 /nfs/dbraw/zinc/58/79/37/1301587937.db2.gz RJSCXJRDPICDNA-KFWWJZLASA-N 2 1 345.409 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC001226860780 1301587939 /nfs/dbraw/zinc/58/79/39/1301587939.db2.gz RJSCXJRDPICDNA-KFWWJZLASA-N 2 1 345.409 2.053 20 30 EEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC001228066644 1302083643 /nfs/dbraw/zinc/08/36/43/1302083643.db2.gz XSVFKRXMMOARPV-HNNXBMFYSA-N 2 1 330.476 2.370 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360392 1302815609 /nfs/dbraw/zinc/81/56/09/1302815609.db2.gz BYUCRLPYDQZFOS-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001103360392 1302815633 /nfs/dbraw/zinc/81/56/33/1302815633.db2.gz BYUCRLPYDQZFOS-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001103360392 1302815646 /nfs/dbraw/zinc/81/56/46/1302815646.db2.gz BYUCRLPYDQZFOS-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001103756963 1303302525 /nfs/dbraw/zinc/30/25/25/1303302525.db2.gz HIXVPMYNWVMAPN-GUDVDZBRSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546493 1305318913 /nfs/dbraw/zinc/31/89/13/1305318913.db2.gz PSSOTESRHRLVGJ-QZTJIDSGSA-N 2 1 349.519 2.225 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768777 1305753445 /nfs/dbraw/zinc/75/34/45/1305753445.db2.gz GSBPBAGHUFAWAQ-MSOLQXFVSA-N 2 1 331.504 2.435 20 30 EEEDMP N#Cc1c2c(cnc1-c1cccc(C[NH+]3CCOCC3)c1)C[NH2+]CCC2 ZINC001241814656 1309556935 /nfs/dbraw/zinc/55/69/35/1309556935.db2.gz VTVDHIXKWSHROY-UHFFFAOYSA-N 2 1 348.450 2.488 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149937464 1316096461 /nfs/dbraw/zinc/09/64/61/1316096461.db2.gz SJBRZZOMGOXTQU-DLBZAZTESA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149937464 1316096468 /nfs/dbraw/zinc/09/64/68/1316096468.db2.gz SJBRZZOMGOXTQU-DLBZAZTESA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149937464 1316096472 /nfs/dbraw/zinc/09/64/72/1316096472.db2.gz SJBRZZOMGOXTQU-DLBZAZTESA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150351386 1316240938 /nfs/dbraw/zinc/24/09/38/1316240938.db2.gz XKBSIDBGVQMSBE-ROUUACIJSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001151248250 1316487944 /nfs/dbraw/zinc/48/79/44/1316487944.db2.gz MCNWUSOAAFAZJR-KRWDZBQOSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481362 1317155222 /nfs/dbraw/zinc/15/52/22/1317155222.db2.gz OKBDSGKCMKAGBG-QGZVFWFLSA-N 2 1 329.488 2.254 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154894342 1317373237 /nfs/dbraw/zinc/37/32/37/1317373237.db2.gz MKGZWUGNIUDZBE-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCC[C@H](O)C[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001252621285 1317647970 /nfs/dbraw/zinc/64/79/70/1317647970.db2.gz ZWKQJVCAUTXKRV-INIZCTEOSA-N 2 1 343.512 2.140 20 30 EEEDMP N#CC1(c2ccc(F)cc2)CCC(n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001254348004 1318049078 /nfs/dbraw/zinc/04/90/78/1318049078.db2.gz XWTOETJOWKSVDK-LRYGQEGESA-N 2 1 342.418 2.461 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158065082 1318991530 /nfs/dbraw/zinc/99/15/30/1318991530.db2.gz DNYICOYJPXFWDZ-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001158065082 1318991536 /nfs/dbraw/zinc/99/15/36/1318991536.db2.gz DNYICOYJPXFWDZ-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001158065082 1318991538 /nfs/dbraw/zinc/99/15/38/1318991538.db2.gz DNYICOYJPXFWDZ-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](CC)c1ccccc1 ZINC001160209514 1320100292 /nfs/dbraw/zinc/10/02/92/1320100292.db2.gz NZTNJKFTVUMOQE-MOPGFXCFSA-N 2 1 327.472 2.331 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](CC)c1ccccc1 ZINC001160209514 1320100298 /nfs/dbraw/zinc/10/02/98/1320100298.db2.gz NZTNJKFTVUMOQE-MOPGFXCFSA-N 2 1 327.472 2.331 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160466834 1320169295 /nfs/dbraw/zinc/16/92/95/1320169295.db2.gz KPBIKKBFNHPESX-RBUKOAKNSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001160466834 1320169301 /nfs/dbraw/zinc/16/93/01/1320169301.db2.gz KPBIKKBFNHPESX-RBUKOAKNSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001160466834 1320169305 /nfs/dbraw/zinc/16/93/05/1320169305.db2.gz KPBIKKBFNHPESX-RBUKOAKNSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383415 1320482076 /nfs/dbraw/zinc/48/20/76/1320482076.db2.gz WYUQDPYSKUUCAJ-UHFFFAOYSA-N 2 1 328.460 2.168 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383415 1320482078 /nfs/dbraw/zinc/48/20/78/1320482078.db2.gz WYUQDPYSKUUCAJ-UHFFFAOYSA-N 2 1 328.460 2.168 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CC=C(C)C)CC2)CC1 ZINC001161946761 1320688342 /nfs/dbraw/zinc/68/83/42/1320688342.db2.gz BLWAOOWYXYPNAS-UHFFFAOYSA-N 2 1 343.515 2.436 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001162928090 1320989885 /nfs/dbraw/zinc/98/98/85/1320989885.db2.gz FAXKRXMKZXWJET-MJGOQNOKSA-N 2 1 329.488 2.031 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001163820503 1321225089 /nfs/dbraw/zinc/22/50/89/1321225089.db2.gz FUFDYEJHWMVFTH-IBGZPJMESA-N 2 1 339.483 2.008 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203490983 1321894929 /nfs/dbraw/zinc/89/49/29/1321894929.db2.gz DZTFVDJUBUBFEM-IAGOWNOFSA-N 2 1 328.460 2.012 20 30 EEEDMP C=CCN(CC=C)CCN1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207489277 1323993103 /nfs/dbraw/zinc/99/31/03/1323993103.db2.gz YCPXFVAYXUTIBS-UHFFFAOYSA-N 2 1 334.552 2.010 20 30 EEEDMP CC[NH+]1CCC(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001208598849 1324582070 /nfs/dbraw/zinc/58/20/70/1324582070.db2.gz YZPMKOSKFKTTPE-UHFFFAOYSA-N 2 1 327.476 2.197 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001210493468 1325309020 /nfs/dbraw/zinc/30/90/20/1325309020.db2.gz LOPNWTNIFBUYLA-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200478391 1338356564 /nfs/dbraw/zinc/35/65/64/1338356564.db2.gz ISOCUHFLPGUIAS-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001669910583 1356236666 /nfs/dbraw/zinc/23/66/66/1356236666.db2.gz OQYRDPUIVJCDPQ-QAPCUYQASA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001669910583 1356236670 /nfs/dbraw/zinc/23/66/70/1356236670.db2.gz OQYRDPUIVJCDPQ-QAPCUYQASA-N 2 1 349.906 2.468 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001388795894 1387710606 /nfs/dbraw/zinc/71/06/06/1387710606.db2.gz LRSPWFJUHPDRGF-SJORKVTESA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001388795894 1387710612 /nfs/dbraw/zinc/71/06/12/1387710612.db2.gz LRSPWFJUHPDRGF-SJORKVTESA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001371662280 1375563058 /nfs/dbraw/zinc/56/30/58/1375563058.db2.gz YKEDCCQFDLTZKR-KGLIPLIRSA-N 2 1 346.313 2.254 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001752782820 1406398050 /nfs/dbraw/zinc/39/80/50/1406398050.db2.gz BGJXBCYDIRYVKG-SJORKVTESA-N 2 1 330.476 2.248 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001752782820 1406398058 /nfs/dbraw/zinc/39/80/58/1406398058.db2.gz BGJXBCYDIRYVKG-SJORKVTESA-N 2 1 330.476 2.248 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001393876967 1390571775 /nfs/dbraw/zinc/57/17/75/1390571775.db2.gz AOGIZHBRVQUEOP-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001400202717 1396046270 /nfs/dbraw/zinc/04/62/70/1396046270.db2.gz LDVAKECPKRDFOW-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001400202717 1396046279 /nfs/dbraw/zinc/04/62/79/1396046279.db2.gz LDVAKECPKRDFOW-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001400202717 1396046287 /nfs/dbraw/zinc/04/62/87/1396046287.db2.gz LDVAKECPKRDFOW-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001402898032 1398264375 /nfs/dbraw/zinc/26/43/75/1398264375.db2.gz DYOPVHWNCWJGPH-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)C)CC1 ZINC001755025172 1407048266 /nfs/dbraw/zinc/04/82/66/1407048266.db2.gz PSTXMUVRAGBHCP-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)CC1 ZINC001755025172 1407048271 /nfs/dbraw/zinc/04/82/71/1407048271.db2.gz PSTXMUVRAGBHCP-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC(C)C)CC1 ZINC001755025172 1407048285 /nfs/dbraw/zinc/04/82/85/1407048285.db2.gz PSTXMUVRAGBHCP-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC(C)C)CC1 ZINC001755025172 1407048289 /nfs/dbraw/zinc/04/82/89/1407048289.db2.gz PSTXMUVRAGBHCP-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001755360157 1407357122 /nfs/dbraw/zinc/35/71/22/1407357122.db2.gz SEPMSAFAJZYQMS-LPHOPBHVSA-N 2 1 339.499 2.487 20 30 EEEDMP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001701057490 1405664762 /nfs/dbraw/zinc/66/47/62/1405664762.db2.gz HLOXKCOBHOUITM-KRWDZBQOSA-N 2 1 346.500 2.208 20 30 EEEDMP CC[C@@H](C(=O)NCC1=CC[N@@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001701057490 1405664770 /nfs/dbraw/zinc/66/47/70/1405664770.db2.gz HLOXKCOBHOUITM-KRWDZBQOSA-N 2 1 346.500 2.208 20 30 EEEDMP C#CCC[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001755531099 1407596347 /nfs/dbraw/zinc/59/63/47/1407596347.db2.gz BIRBPBJEVPTLOD-UHFFFAOYSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCCC)cc1F ZINC001755901224 1407976480 /nfs/dbraw/zinc/97/64/80/1407976480.db2.gz JJCKTFIYZJVDOO-IBGZPJMESA-N 2 1 345.462 2.429 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCCC)cc1F ZINC001755901224 1407976485 /nfs/dbraw/zinc/97/64/85/1407976485.db2.gz JJCKTFIYZJVDOO-IBGZPJMESA-N 2 1 345.462 2.429 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c(F)cccc1Cl ZINC000305050994 1409798614 /nfs/dbraw/zinc/79/86/14/1409798614.db2.gz CPCHZQOIKYZBHI-GFCCVEGCSA-N 2 1 326.847 2.410 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121234329 1410217668 /nfs/dbraw/zinc/21/76/68/1410217668.db2.gz YHBQWMXRNLENAM-QAELIBMJSA-N 2 1 331.504 2.290 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087310599 761583217 /nfs/dbraw/zinc/58/32/17/761583217.db2.gz ZQNAWRUSBVXFOG-RLLQIKCJSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087311620 761586829 /nfs/dbraw/zinc/58/68/29/761586829.db2.gz RESZHEWFABYHOY-QYZOEREBSA-N 2 1 345.531 2.345 20 30 EEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC(C)(C)C1 ZINC001089427248 769058773 /nfs/dbraw/zinc/05/87/73/769058773.db2.gz PYIZGZYCYBUDIK-AWEZNQCLSA-N 2 1 334.464 2.143 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC(C)(C)C1 ZINC001089427248 769058781 /nfs/dbraw/zinc/05/87/81/769058781.db2.gz PYIZGZYCYBUDIK-AWEZNQCLSA-N 2 1 334.464 2.143 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC(C)(C)C1 ZINC001089427249 769059406 /nfs/dbraw/zinc/05/94/06/769059406.db2.gz PYIZGZYCYBUDIK-CQSZACIVSA-N 2 1 334.464 2.143 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC(C)(C)C1 ZINC001089427249 769059416 /nfs/dbraw/zinc/05/94/16/769059416.db2.gz PYIZGZYCYBUDIK-CQSZACIVSA-N 2 1 334.464 2.143 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540340 770171726 /nfs/dbraw/zinc/17/17/26/770171726.db2.gz UDACCNSMPMXIKV-HNNXBMFYSA-N 2 1 328.460 2.001 20 30 EEEDMP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001105412991 783026641 /nfs/dbraw/zinc/02/66/41/783026641.db2.gz HNNGCXIXSXBMLW-SBHAEUEKSA-N 2 1 341.499 2.463 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)[C@H](C)C2)CC1 ZINC000948070904 773473823 /nfs/dbraw/zinc/47/38/23/773473823.db2.gz SZWCLPDMZJDFMU-YLJYHZDGSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCC3CCCC3)C2)CC1 ZINC000980477350 774700945 /nfs/dbraw/zinc/70/09/45/774700945.db2.gz FBAJBKSWBXCIEV-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028017218 776177597 /nfs/dbraw/zinc/17/75/97/776177597.db2.gz AOCKFJRFOUBMGK-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000981420080 777359120 /nfs/dbraw/zinc/35/91/20/777359120.db2.gz AFRUQZVLHUJGFW-JKSUJKDBSA-N 2 1 325.416 2.084 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001089847717 777905981 /nfs/dbraw/zinc/90/59/81/777905981.db2.gz WVFQVDGZPKMTEO-XSLAGTTESA-N 2 1 331.504 2.216 20 30 EEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957605 778658432 /nfs/dbraw/zinc/65/84/32/778658432.db2.gz NIBSUXIIENTIID-GOSISDBHSA-N 2 1 325.472 2.309 20 30 EEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957605 778658433 /nfs/dbraw/zinc/65/84/33/778658433.db2.gz NIBSUXIIENTIID-GOSISDBHSA-N 2 1 325.472 2.309 20 30 EEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957605 778658435 /nfs/dbraw/zinc/65/84/35/778658435.db2.gz NIBSUXIIENTIID-GOSISDBHSA-N 2 1 325.472 2.309 20 30 EEEDMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001127685765 778908236 /nfs/dbraw/zinc/90/82/36/778908236.db2.gz SQTLSXXLUDRBRJ-HNNXBMFYSA-N 2 1 339.443 2.174 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028342778 780832969 /nfs/dbraw/zinc/83/29/69/780832969.db2.gz GCSOHIKFNMHMJI-INIZCTEOSA-N 2 1 331.460 2.339 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028342778 780832980 /nfs/dbraw/zinc/83/29/80/780832980.db2.gz GCSOHIKFNMHMJI-INIZCTEOSA-N 2 1 331.460 2.339 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1Cc1ccc(C#N)s1 ZINC001087523131 781665852 /nfs/dbraw/zinc/66/58/52/781665852.db2.gz KZCGEJNFUUBENI-GVDBMIGSSA-N 2 1 346.500 2.183 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035187974 784066631 /nfs/dbraw/zinc/06/66/31/784066631.db2.gz MLZTXPNADVCBOJ-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035187974 784066637 /nfs/dbraw/zinc/06/66/37/784066637.db2.gz MLZTXPNADVCBOJ-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035187974 784066642 /nfs/dbraw/zinc/06/66/42/784066642.db2.gz MLZTXPNADVCBOJ-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135689721 784249912 /nfs/dbraw/zinc/24/99/12/784249912.db2.gz AUSZVPMFFFLUBW-MSOLQXFVSA-N 2 1 339.524 2.328 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882900 784700019 /nfs/dbraw/zinc/70/00/19/784700019.db2.gz VMWXJDJDVUDBKK-CHWSQXEVSA-N 2 1 334.302 2.110 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135976828 784926898 /nfs/dbraw/zinc/92/68/98/784926898.db2.gz OEYPMJOFEQCANC-HUUCEWRRSA-N 2 1 348.466 2.412 20 30 EEEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035720152 785014712 /nfs/dbraw/zinc/01/47/12/785014712.db2.gz GUPOLEDZEFEQFC-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)CC2 ZINC001035794802 785143999 /nfs/dbraw/zinc/14/39/99/785143999.db2.gz KAFFNQLSFPQFEM-IBGZPJMESA-N 2 1 337.483 2.309 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001108164379 785456853 /nfs/dbraw/zinc/45/68/53/785456853.db2.gz WETDALCHSBBPOU-IBGZPJMESA-N 2 1 349.475 2.128 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1(C)C ZINC000995850980 785766818 /nfs/dbraw/zinc/76/68/18/785766818.db2.gz WQUXALACCYDTJK-IRXDYDNUSA-N 2 1 345.491 2.193 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1(C)C ZINC000995850980 785766823 /nfs/dbraw/zinc/76/68/23/785766823.db2.gz WQUXALACCYDTJK-IRXDYDNUSA-N 2 1 345.491 2.193 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N(CC[NH3+])CC(=O)OCC)cc1 ZINC001170996377 787388933 /nfs/dbraw/zinc/38/89/33/787388933.db2.gz PFFHLBOOCMLDTM-GOSISDBHSA-N 2 1 331.460 2.338 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859369 788822369 /nfs/dbraw/zinc/82/23/69/788822369.db2.gz RLYKUGNCBUWPHO-YRXWBPOGSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000997132811 789054865 /nfs/dbraw/zinc/05/48/65/789054865.db2.gz SZBGAPGWOUAXFD-UHFFFAOYSA-N 2 1 345.834 2.214 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC000997148642 789142104 /nfs/dbraw/zinc/14/21/04/789142104.db2.gz HBOGFABJUOKKNM-LMMKCTJWSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC000997148642 789142106 /nfs/dbraw/zinc/14/21/06/789142106.db2.gz HBOGFABJUOKKNM-LMMKCTJWSA-N 2 1 333.520 2.347 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000923359571 789450233 /nfs/dbraw/zinc/45/02/33/789450233.db2.gz SBRPHNJDYDMJEV-GUDVDZBRSA-N 2 1 343.471 2.010 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946904326 789621615 /nfs/dbraw/zinc/62/16/15/789621615.db2.gz BGWGLOZQNVNOKV-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccnc1C ZINC001089909703 789828740 /nfs/dbraw/zinc/82/87/40/789828740.db2.gz YELRFLKCOFUTCA-YVSFHVDLSA-N 2 1 348.878 2.113 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089909703 789828750 /nfs/dbraw/zinc/82/87/50/789828750.db2.gz YELRFLKCOFUTCA-YVSFHVDLSA-N 2 1 348.878 2.113 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146334185 791179635 /nfs/dbraw/zinc/17/96/35/791179635.db2.gz VKRMTPJTYBMNIG-HUUCEWRRSA-N 2 1 339.443 2.136 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001171307304 791851247 /nfs/dbraw/zinc/85/12/47/791851247.db2.gz HWWBYBMUHPTAGI-ZHANPKHBSA-N 2 1 325.884 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001171307304 791851253 /nfs/dbraw/zinc/85/12/53/791851253.db2.gz HWWBYBMUHPTAGI-ZHANPKHBSA-N 2 1 325.884 2.101 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998029590 791856021 /nfs/dbraw/zinc/85/60/21/791856021.db2.gz GMBVRJFRFHOGQB-QZTJIDSGSA-N 2 1 342.487 2.487 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998029590 791856026 /nfs/dbraw/zinc/85/60/26/791856026.db2.gz GMBVRJFRFHOGQB-QZTJIDSGSA-N 2 1 342.487 2.487 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC000998195701 792200893 /nfs/dbraw/zinc/20/08/93/792200893.db2.gz GUNZHSZQKAYBHI-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@]2(C)C1 ZINC001091715510 792382919 /nfs/dbraw/zinc/38/29/19/792382919.db2.gz AHYPOLWLCUQAKH-RYRKJORJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091715510 792382932 /nfs/dbraw/zinc/38/29/32/792382932.db2.gz AHYPOLWLCUQAKH-RYRKJORJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091715510 792382943 /nfs/dbraw/zinc/38/29/43/792382943.db2.gz AHYPOLWLCUQAKH-RYRKJORJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091715510 792382955 /nfs/dbraw/zinc/38/29/55/792382955.db2.gz AHYPOLWLCUQAKH-RYRKJORJSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC/C=C\CC)C3)CC1 ZINC001148827997 792703277 /nfs/dbraw/zinc/70/32/77/792703277.db2.gz VXYJBVWEEDSSMT-WAYWQWQTSA-N 2 1 343.515 2.222 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC000992352390 793770620 /nfs/dbraw/zinc/77/06/20/793770620.db2.gz OYNHGTAAIBTUME-IEBWSBKVSA-N 2 1 337.427 2.180 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC000992352390 793770624 /nfs/dbraw/zinc/77/06/24/793770624.db2.gz OYNHGTAAIBTUME-IEBWSBKVSA-N 2 1 337.427 2.180 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198793 794445699 /nfs/dbraw/zinc/44/56/99/794445699.db2.gz RPOGKTVAKCYVAZ-ZYSHUDEJSA-N 2 1 345.462 2.238 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036736320 794692403 /nfs/dbraw/zinc/69/24/03/794692403.db2.gz YHTGRCBHBBKLOJ-GJZGRUSLSA-N 2 1 325.884 2.146 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@@H]21 ZINC001036835141 795341077 /nfs/dbraw/zinc/34/10/77/795341077.db2.gz VJQSRDWGNCPEBX-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036835141 795341090 /nfs/dbraw/zinc/34/10/90/795341090.db2.gz VJQSRDWGNCPEBX-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036835141 795341096 /nfs/dbraw/zinc/34/10/96/795341096.db2.gz VJQSRDWGNCPEBX-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001108006822 795484698 /nfs/dbraw/zinc/48/46/98/795484698.db2.gz DROLMNMANGLNON-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108006822 795484706 /nfs/dbraw/zinc/48/47/06/795484706.db2.gz DROLMNMANGLNON-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902958 796441175 /nfs/dbraw/zinc/44/11/75/796441175.db2.gz SOVLDZGIEANUED-RTBURBONSA-N 2 1 327.472 2.471 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC=C(C)C)C2)CC1 ZINC001036902852 796441522 /nfs/dbraw/zinc/44/15/22/796441522.db2.gz QVVCCLUKIFZIDQ-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171586922 796634107 /nfs/dbraw/zinc/63/41/07/796634107.db2.gz VXAATLDHOWJQSP-MRXNPFEDSA-N 2 1 327.513 2.184 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171873938 796761404 /nfs/dbraw/zinc/76/14/04/796761404.db2.gz VUCXGXCQFRBOKI-SARBKMAYSA-N 2 1 349.519 2.080 20 30 EEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001175287321 798049216 /nfs/dbraw/zinc/04/92/16/798049216.db2.gz CYQNYJCKSYNHBJ-MRXNPFEDSA-N 2 1 346.475 2.172 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C/C=C/Cl)[C@@H]2C)CC1 ZINC000994494829 798094216 /nfs/dbraw/zinc/09/42/16/798094216.db2.gz FVDPCSTWVHDSAL-ONLMNPRXSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C/C=C/Cl)[C@@H]2C)CC1 ZINC000994494829 798094222 /nfs/dbraw/zinc/09/42/22/798094222.db2.gz FVDPCSTWVHDSAL-ONLMNPRXSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401616 798384915 /nfs/dbraw/zinc/38/49/15/798384915.db2.gz VVHLPCZLMXRMJC-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401616 798384920 /nfs/dbraw/zinc/38/49/20/798384920.db2.gz VVHLPCZLMXRMJC-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401616 798384927 /nfs/dbraw/zinc/38/49/27/798384927.db2.gz VVHLPCZLMXRMJC-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001176844188 798584643 /nfs/dbraw/zinc/58/46/43/798584643.db2.gz FZBAHRUVRPTHCT-OKILXGFUSA-N 2 1 334.489 2.088 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033005 798623214 /nfs/dbraw/zinc/62/32/14/798623214.db2.gz MSWBQRZCBULWDG-GJYPPUQNSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033005 798623216 /nfs/dbraw/zinc/62/32/16/798623216.db2.gz MSWBQRZCBULWDG-GJYPPUQNSA-N 2 1 337.483 2.308 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032924 798625382 /nfs/dbraw/zinc/62/53/82/798625382.db2.gz JDDAXVKGUQLFTP-UWVAXJGDSA-N 2 1 349.494 2.145 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032924 798625383 /nfs/dbraw/zinc/62/53/83/798625383.db2.gz JDDAXVKGUQLFTP-UWVAXJGDSA-N 2 1 349.494 2.145 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032924 798625384 /nfs/dbraw/zinc/62/53/84/798625384.db2.gz JDDAXVKGUQLFTP-UWVAXJGDSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001003057249 799142375 /nfs/dbraw/zinc/14/23/75/799142375.db2.gz XUMPWRYCKJODTR-SFHVURJKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001003057249 799142379 /nfs/dbraw/zinc/14/23/79/799142379.db2.gz XUMPWRYCKJODTR-SFHVURJKSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003667651 799974420 /nfs/dbraw/zinc/97/44/20/799974420.db2.gz MELYIZFPFJPXKV-UXHICEINSA-N 2 1 341.499 2.489 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001180222368 800315207 /nfs/dbraw/zinc/31/52/07/800315207.db2.gz NOQVIRDZIJTVNC-BBRMVZONSA-N 2 1 334.489 2.039 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001180372884 800404532 /nfs/dbraw/zinc/40/45/32/800404532.db2.gz KZGVHFVLDPMLQT-GOSISDBHSA-N 2 1 339.524 2.330 20 30 EEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001183044119 801437823 /nfs/dbraw/zinc/43/78/23/801437823.db2.gz CYFGMYZEYJWGNW-IBGZPJMESA-N 2 1 325.456 2.080 20 30 EEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001183044119 801437827 /nfs/dbraw/zinc/43/78/27/801437827.db2.gz CYFGMYZEYJWGNW-IBGZPJMESA-N 2 1 325.456 2.080 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592243 801681261 /nfs/dbraw/zinc/68/12/61/801681261.db2.gz DTGBNLGDUBVTRT-ZGXWSNOMSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592243 801681262 /nfs/dbraw/zinc/68/12/62/801681262.db2.gz DTGBNLGDUBVTRT-ZGXWSNOMSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592243 801681268 /nfs/dbraw/zinc/68/12/68/801681268.db2.gz DTGBNLGDUBVTRT-ZGXWSNOMSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631684 802428265 /nfs/dbraw/zinc/42/82/65/802428265.db2.gz TYOIXBZLZIYZON-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631684 802428270 /nfs/dbraw/zinc/42/82/70/802428270.db2.gz TYOIXBZLZIYZON-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631684 802428277 /nfs/dbraw/zinc/42/82/77/802428277.db2.gz TYOIXBZLZIYZON-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086217084 802520373 /nfs/dbraw/zinc/52/03/73/802520373.db2.gz NDTIMGULEJYQAL-XHSDSOJGSA-N 2 1 327.900 2.486 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001100071556 802822108 /nfs/dbraw/zinc/82/21/08/802822108.db2.gz GAYUPFBVOKRZKY-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398093 803436362 /nfs/dbraw/zinc/43/63/62/803436362.db2.gz AHEMCJJMNQRKKD-IBGZPJMESA-N 2 1 339.524 2.260 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001108434678 803566643 /nfs/dbraw/zinc/56/66/43/803566643.db2.gz VBDJNIOCQXCYJE-IBGZPJMESA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169124887 803623102 /nfs/dbraw/zinc/62/31/02/803623102.db2.gz GGRNTAWUHUHADE-BJWYYQGGSA-N 2 1 333.476 2.332 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001086602888 809416153 /nfs/dbraw/zinc/41/61/53/809416153.db2.gz YMRSSMBGIDOXBQ-RBUKOAKNSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001086602888 809416162 /nfs/dbraw/zinc/41/61/62/809416162.db2.gz YMRSSMBGIDOXBQ-RBUKOAKNSA-N 2 1 339.483 2.078 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001437309198 1089466318 /nfs/dbraw/zinc/46/63/18/1089466318.db2.gz AGUZVQOQKSQFIU-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CCCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccccc1C#N ZINC001437753609 1090321765 /nfs/dbraw/zinc/32/17/65/1090321765.db2.gz PAVQSPVZFVPPMP-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccccc1C#N ZINC001437753609 1090321770 /nfs/dbraw/zinc/32/17/70/1090321770.db2.gz PAVQSPVZFVPPMP-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccccc1C#N ZINC001437753609 1090321775 /nfs/dbraw/zinc/32/17/75/1090321775.db2.gz PAVQSPVZFVPPMP-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccccc1C#N ZINC001437753609 1090321778 /nfs/dbraw/zinc/32/17/78/1090321778.db2.gz PAVQSPVZFVPPMP-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001438753874 1091314152 /nfs/dbraw/zinc/31/41/52/1091314152.db2.gz NNWVOMQUHWXGBK-HZPDHXFCSA-N 2 1 327.900 2.488 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001440262303 1093368109 /nfs/dbraw/zinc/36/81/09/1093368109.db2.gz QZUPPEJXOZMWSL-RBUKOAKNSA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001440262303 1093368118 /nfs/dbraw/zinc/36/81/18/1093368118.db2.gz QZUPPEJXOZMWSL-RBUKOAKNSA-N 2 1 342.487 2.177 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NC2(C[NH2+]Cc3ccccc3C#N)CCCC2)C1 ZINC001444089791 1098620650 /nfs/dbraw/zinc/62/06/50/1098620650.db2.gz PUANAQADYKRSJF-GOSISDBHSA-N 2 1 340.471 2.029 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001496479448 1101070911 /nfs/dbraw/zinc/07/09/11/1101070911.db2.gz BOQWALLXQJGRGW-CJNGLKHVSA-N 2 1 327.900 2.440 20 30 EEEDMP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)Cc1ccccc1C#N ZINC001448053665 1103903508 /nfs/dbraw/zinc/90/35/08/1103903508.db2.gz LJKSMVJDPODHJO-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)Cc1ccccc1C#N ZINC001448053665 1103903515 /nfs/dbraw/zinc/90/35/15/1103903515.db2.gz LJKSMVJDPODHJO-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001498329797 1107305563 /nfs/dbraw/zinc/30/55/63/1107305563.db2.gz LIQNSCKQGQPPTO-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H](CCNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001503263258 1113882886 /nfs/dbraw/zinc/88/28/86/1113882886.db2.gz BFMSZIVLPKZGSK-AZUAARDMSA-N 2 1 341.499 2.397 20 30 EEEDMP C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352920829 162346439 /nfs/dbraw/zinc/34/64/39/162346439.db2.gz BCNPCBNDSHLKNU-JWTNVVGKSA-N 2 1 326.444 2.444 20 30 EEEDMP C[NH+](CCC(=O)Nc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352920829 162346441 /nfs/dbraw/zinc/34/64/41/162346441.db2.gz BCNPCBNDSHLKNU-JWTNVVGKSA-N 2 1 326.444 2.444 20 30 EEEDMP C[NH+](CCC(=O)Nc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352920829 162346444 /nfs/dbraw/zinc/34/64/44/162346444.db2.gz BCNPCBNDSHLKNU-JWTNVVGKSA-N 2 1 326.444 2.444 20 30 EEEDMP C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977427 464342958 /nfs/dbraw/zinc/34/29/58/464342958.db2.gz BLVSUVFHQPGEPR-HKUYNNGSSA-N 2 1 342.487 2.201 20 30 EEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351496023 465185408 /nfs/dbraw/zinc/18/54/08/465185408.db2.gz QVJACLQKQPYSQS-XJNFMUPTSA-N 2 1 333.501 2.320 20 30 EEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351496023 465185413 /nfs/dbraw/zinc/18/54/13/465185413.db2.gz QVJACLQKQPYSQS-XJNFMUPTSA-N 2 1 333.501 2.320 20 30 EEEDMP CC[NH+]=C(NC[C@](C)(O)c1ccco1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000086763962 462580021 /nfs/dbraw/zinc/58/00/21/462580021.db2.gz SVQNUICPNLNZMX-IYHXRUFHSA-N 2 1 348.491 2.058 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000287622000 463949027 /nfs/dbraw/zinc/94/90/27/463949027.db2.gz ILFMANSUPINKRD-UHFFFAOYSA-N 2 1 342.487 2.163 20 30 EEEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])Nc2cc(F)ccc2F)C[C@H](C)O1 ZINC000288801863 464058814 /nfs/dbraw/zinc/05/88/14/464058814.db2.gz ZGUWLXQVADPFHD-TXEJJXNPSA-N 2 1 326.391 2.191 20 30 EEEDMP COCC[NH+]1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000237108428 464265935 /nfs/dbraw/zinc/26/59/35/464265935.db2.gz UUKAUOZZRKYZAO-UHFFFAOYSA-N 2 1 330.476 2.237 20 30 EEEDMP C=CCN1CC[C@H]([N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000281927940 464637472 /nfs/dbraw/zinc/63/74/72/464637472.db2.gz HVAQEKCFQPQHQC-IBGZPJMESA-N 2 1 342.487 2.407 20 30 EEEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000266973352 464891278 /nfs/dbraw/zinc/89/12/78/464891278.db2.gz HFLOZLNDHYLYAW-CYBMUJFWSA-N 2 1 328.382 2.452 20 30 EEEDMP C=CCC[N@@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000342727533 465343197 /nfs/dbraw/zinc/34/31/97/465343197.db2.gz UVTFULAVYZFEJC-QGZVFWFLSA-N 2 1 345.487 2.031 20 30 EEEDMP C=CCC[N@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000342727533 465343203 /nfs/dbraw/zinc/34/32/03/465343203.db2.gz UVTFULAVYZFEJC-QGZVFWFLSA-N 2 1 345.487 2.031 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000330355297 465627919 /nfs/dbraw/zinc/62/79/19/465627919.db2.gz QMRCQTICUBKBIW-UHFFFAOYSA-N 2 1 344.463 2.400 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000349032217 465928656 /nfs/dbraw/zinc/92/86/56/465928656.db2.gz XCZBNEVRSYFKFQ-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000349032217 465928663 /nfs/dbraw/zinc/92/86/63/465928663.db2.gz XCZBNEVRSYFKFQ-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCC[C@H](N2CCN(CCCOc3ccc(C#N)cc3)CC2)C1 ZINC000363219525 466290064 /nfs/dbraw/zinc/29/00/64/466290064.db2.gz SPAHIOHCPINOHV-IBGZPJMESA-N 2 1 342.487 2.039 20 30 EEEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)C1 ZINC000363219525 466290085 /nfs/dbraw/zinc/29/00/85/466290085.db2.gz SPAHIOHCPINOHV-IBGZPJMESA-N 2 1 342.487 2.039 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)C(C)C ZINC000422163371 466668035 /nfs/dbraw/zinc/66/80/35/466668035.db2.gz FPWGHRGWWHZNCZ-MSOLQXFVSA-N 2 1 336.524 2.421 20 30 EEEDMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424153433 466991792 /nfs/dbraw/zinc/99/17/92/466991792.db2.gz KZOCCESHIHTHNO-RBUKOAKNSA-N 2 1 342.487 2.378 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@H](c3ccc(CC)cc3)C2)CC1 ZINC000374311605 467038990 /nfs/dbraw/zinc/03/89/90/467038990.db2.gz CPXLLUIZVQPYNP-FQEVSTJZSA-N 2 1 339.483 2.067 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)C(C)C ZINC000425648260 467118688 /nfs/dbraw/zinc/11/86/88/467118688.db2.gz GSDFQSHBBNLCHQ-GBESFXJTSA-N 2 1 348.535 2.421 20 30 EEEDMP C[N@H+]1CCN(CCC[NH2+]C[C@@H](C#N)CCC#N)[C@@H](c2ccccc2)C1 ZINC000591725387 468511027 /nfs/dbraw/zinc/51/10/27/468511027.db2.gz WICOVGJQPYKICC-UYAOXDASSA-N 2 1 339.487 2.398 20 30 EEEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](C)CCC#N)CC2)CC1 ZINC000602461349 469326407 /nfs/dbraw/zinc/32/64/07/469326407.db2.gz KKOKSPUAXFBHAP-QGZVFWFLSA-N 2 1 334.508 2.192 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000625322905 470119190 /nfs/dbraw/zinc/11/91/90/470119190.db2.gz MMQNMBXUSQGCOP-MOPGFXCFSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000644669298 485499078 /nfs/dbraw/zinc/49/90/78/485499078.db2.gz VPNNRALZGZOKAK-HKUYNNGSSA-N 2 1 332.488 2.476 20 30 EEEDMP C#CCN(C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCCCC1 ZINC000734281452 577286941 /nfs/dbraw/zinc/28/69/41/577286941.db2.gz KQYXHBZODYLIET-KRWDZBQOSA-N 2 1 346.519 2.132 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C)cc2)C1 ZINC000969869265 675270786 /nfs/dbraw/zinc/27/07/86/675270786.db2.gz OGTMSYFVBVSVID-XLIONFOSSA-N 2 1 339.483 2.029 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C)cc2)C1 ZINC000969869265 675270790 /nfs/dbraw/zinc/27/07/90/675270790.db2.gz OGTMSYFVBVSVID-XLIONFOSSA-N 2 1 339.483 2.029 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001021095867 675728453 /nfs/dbraw/zinc/72/84/53/675728453.db2.gz ATKPOWBROWUSBQ-IHRRRGAJSA-N 2 1 344.297 2.006 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972009394 677967134 /nfs/dbraw/zinc/96/71/34/677967134.db2.gz RCKOPTKZZNVQLL-HOTGVXAUSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972009394 677967137 /nfs/dbraw/zinc/96/71/37/677967137.db2.gz RCKOPTKZZNVQLL-HOTGVXAUSA-N 2 1 325.884 2.146 20 30 EEEDMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC000972265307 678468196 /nfs/dbraw/zinc/46/81/96/678468196.db2.gz MMEHMCMHABPMEZ-RHSMWYFYSA-N 2 1 348.516 2.239 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972407298 678695267 /nfs/dbraw/zinc/69/52/67/678695267.db2.gz DWDZSKFCKHFXEZ-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972407298 678695270 /nfs/dbraw/zinc/69/52/70/678695270.db2.gz DWDZSKFCKHFXEZ-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972407298 678695273 /nfs/dbraw/zinc/69/52/73/678695273.db2.gz DWDZSKFCKHFXEZ-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972407298 678695276 /nfs/dbraw/zinc/69/52/76/678695276.db2.gz DWDZSKFCKHFXEZ-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024021273 679764957 /nfs/dbraw/zinc/76/49/57/679764957.db2.gz BRMXASINNOZAHF-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024021273 679764959 /nfs/dbraw/zinc/76/49/59/679764959.db2.gz BRMXASINNOZAHF-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1C#N ZINC001024366922 679883875 /nfs/dbraw/zinc/88/38/75/679883875.db2.gz WFHMBYHSQQNZAM-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CN1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1C#N ZINC001024366922 679883876 /nfs/dbraw/zinc/88/38/76/679883876.db2.gz WFHMBYHSQQNZAM-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001024647667 681311464 /nfs/dbraw/zinc/31/14/64/681311464.db2.gz RJKFPYUYUGRODD-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647667 681311470 /nfs/dbraw/zinc/31/14/70/681311470.db2.gz RJKFPYUYUGRODD-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647667 681311475 /nfs/dbraw/zinc/31/14/75/681311475.db2.gz RJKFPYUYUGRODD-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001028601310 681349575 /nfs/dbraw/zinc/34/95/75/681349575.db2.gz MXPHURZTOGTMAH-ICSRJNTNSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001028601310 681349579 /nfs/dbraw/zinc/34/95/79/681349579.db2.gz MXPHURZTOGTMAH-ICSRJNTNSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001028601310 681349583 /nfs/dbraw/zinc/34/95/83/681349583.db2.gz MXPHURZTOGTMAH-ICSRJNTNSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001028601310 681349588 /nfs/dbraw/zinc/34/95/88/681349588.db2.gz MXPHURZTOGTMAH-ICSRJNTNSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001028601310 681349590 /nfs/dbraw/zinc/34/95/90/681349590.db2.gz MXPHURZTOGTMAH-ICSRJNTNSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025259423 682338562 /nfs/dbraw/zinc/33/85/62/682338562.db2.gz NGFSZZLRQZPTHA-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293924 682404048 /nfs/dbraw/zinc/40/40/48/682404048.db2.gz GVXWUINOVGBSLC-ROUUACIJSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293924 682404050 /nfs/dbraw/zinc/40/40/50/682404050.db2.gz GVXWUINOVGBSLC-ROUUACIJSA-N 2 1 328.460 2.060 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)s1 ZINC000261969626 682697502 /nfs/dbraw/zinc/69/75/02/682697502.db2.gz CQWYUGYUHLSMPA-JTQLQIEISA-N 2 1 345.310 2.399 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433885 682752673 /nfs/dbraw/zinc/75/26/73/682752673.db2.gz PSVMTFZDIRKJPT-GJZGRUSLSA-N 2 1 333.501 2.273 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978634625 693750389 /nfs/dbraw/zinc/75/03/89/693750389.db2.gz HEVYVYHXFUHQPJ-YSTOQKLRSA-N 2 1 343.515 2.101 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978634625 693750394 /nfs/dbraw/zinc/75/03/94/693750394.db2.gz HEVYVYHXFUHQPJ-YSTOQKLRSA-N 2 1 343.515 2.101 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978634625 693750396 /nfs/dbraw/zinc/75/03/96/693750396.db2.gz HEVYVYHXFUHQPJ-YSTOQKLRSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001038369690 684621972 /nfs/dbraw/zinc/62/19/72/684621972.db2.gz WVFIKUKSAPPCMZ-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP CC(C)(C)C1CCC(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000305064294 687038945 /nfs/dbraw/zinc/03/89/45/687038945.db2.gz HSNMZIDFTYRARH-UHFFFAOYSA-N 2 1 338.540 2.466 20 30 EEEDMP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262756051 688354614 /nfs/dbraw/zinc/35/46/14/688354614.db2.gz HMMWIHYQTPHHQE-MRXNPFEDSA-N 3 1 335.540 2.043 20 30 EEEDMP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262756051 688354619 /nfs/dbraw/zinc/35/46/19/688354619.db2.gz HMMWIHYQTPHHQE-MRXNPFEDSA-N 3 1 335.540 2.043 20 30 EEEDMP C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986353854 688503795 /nfs/dbraw/zinc/50/37/95/688503795.db2.gz JPKAMCJKXMMZKD-KXBFYZLASA-N 2 1 340.471 2.122 20 30 EEEDMP CN(CC[N@@H+](C)CCCOc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000179129390 690644980 /nfs/dbraw/zinc/64/49/80/690644980.db2.gz DDALSGZIRBTOHK-UHFFFAOYSA-N 2 1 344.503 2.285 20 30 EEEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988964835 691331893 /nfs/dbraw/zinc/33/18/93/691331893.db2.gz FNDBUQQGNAYRON-MAUKXSAKSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943756881 1192535997 /nfs/dbraw/zinc/53/59/97/1192535997.db2.gz XGJBVDCUQKAVCB-GDBMZVCRSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943756881 1192535998 /nfs/dbraw/zinc/53/59/98/1192535998.db2.gz XGJBVDCUQKAVCB-GDBMZVCRSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Br)C[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001481506197 1181590224 /nfs/dbraw/zinc/59/02/24/1181590224.db2.gz YDRNDHADVBXDMQ-CQSZACIVSA-N 2 1 346.313 2.017 20 30 EEEDMP C=C(Br)C[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001481506197 1181590225 /nfs/dbraw/zinc/59/02/25/1181590225.db2.gz YDRNDHADVBXDMQ-CQSZACIVSA-N 2 1 346.313 2.017 20 30 EEEDMP C=C(Br)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001481506197 1181590226 /nfs/dbraw/zinc/59/02/26/1181590226.db2.gz YDRNDHADVBXDMQ-CQSZACIVSA-N 2 1 346.313 2.017 20 30 EEEDMP C=C(Br)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001481506197 1181590227 /nfs/dbraw/zinc/59/02/27/1181590227.db2.gz YDRNDHADVBXDMQ-CQSZACIVSA-N 2 1 346.313 2.017 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028217 1193332796 /nfs/dbraw/zinc/33/27/96/1193332796.db2.gz FYTFJGWNDWPZBX-VQIMIIECSA-N 2 1 327.472 2.212 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945088025 1193361553 /nfs/dbraw/zinc/36/15/53/1193361553.db2.gz ABCOSHMBAMUZDV-QFBILLFUSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105564075 1188180589 /nfs/dbraw/zinc/18/05/89/1188180589.db2.gz VWAVJLPPNBNDPW-RBUKOAKNSA-N 2 1 345.531 2.493 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001168320636 1188290868 /nfs/dbraw/zinc/29/08/68/1188290868.db2.gz HWDFYOAGLFYYKN-UHFFFAOYSA-N 2 1 341.499 2.254 20 30 EEEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001483266558 1190291551 /nfs/dbraw/zinc/29/15/51/1190291551.db2.gz ONMOMJVJVVRXFF-HNNXBMFYSA-N 2 1 330.476 2.130 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001128779784 1195487796 /nfs/dbraw/zinc/48/77/96/1195487796.db2.gz ZAYHUWDWAJGJQS-SFHVURJKSA-N 2 1 347.890 2.272 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001034274174 1196028937 /nfs/dbraw/zinc/02/89/37/1196028937.db2.gz KQVBOMXDCQYNFL-DLBZAZTESA-N 2 1 330.476 2.382 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034396238 1196186394 /nfs/dbraw/zinc/18/63/94/1196186394.db2.gz DUSXRCHNWPRIQK-APWZRJJASA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034396238 1196186398 /nfs/dbraw/zinc/18/63/98/1196186398.db2.gz DUSXRCHNWPRIQK-APWZRJJASA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034396238 1196186401 /nfs/dbraw/zinc/18/64/01/1196186401.db2.gz DUSXRCHNWPRIQK-APWZRJJASA-N 2 1 337.483 2.193 20 30 EEEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001410292244 1197667574 /nfs/dbraw/zinc/66/75/74/1197667574.db2.gz NAMLXGXINYKOHQ-IAGOWNOFSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001132269139 1199508712 /nfs/dbraw/zinc/50/87/12/1199508712.db2.gz FVUXIDFAXCRQRI-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001133205146 1200592690 /nfs/dbraw/zinc/59/26/90/1200592690.db2.gz WMXWBAILLFNYDC-JKSUJKDBSA-N 2 1 339.443 2.141 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000888777307 1201136935 /nfs/dbraw/zinc/13/69/35/1201136935.db2.gz NVAJRHJLSNTBKQ-SQNIBIBYSA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000888777307 1201136939 /nfs/dbraw/zinc/13/69/39/1201136939.db2.gz NVAJRHJLSNTBKQ-SQNIBIBYSA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000888777307 1201136941 /nfs/dbraw/zinc/13/69/41/1201136941.db2.gz NVAJRHJLSNTBKQ-SQNIBIBYSA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000888777307 1201136943 /nfs/dbraw/zinc/13/69/43/1201136943.db2.gz NVAJRHJLSNTBKQ-SQNIBIBYSA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000884077285 1202226137 /nfs/dbraw/zinc/22/61/37/1202226137.db2.gz HBFPRYAVNQMSMG-QZTJIDSGSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000884077285 1202226140 /nfs/dbraw/zinc/22/61/40/1202226140.db2.gz HBFPRYAVNQMSMG-QZTJIDSGSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000884077285 1202226143 /nfs/dbraw/zinc/22/61/43/1202226143.db2.gz HBFPRYAVNQMSMG-QZTJIDSGSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000884077285 1202226145 /nfs/dbraw/zinc/22/61/45/1202226145.db2.gz HBFPRYAVNQMSMG-QZTJIDSGSA-N 2 1 334.508 2.038 20 30 EEEDMP N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274110941 1204378100 /nfs/dbraw/zinc/37/81/00/1204378100.db2.gz OTTRCHRDUCPNLK-LJQANCHMSA-N 2 1 337.427 2.205 20 30 EEEDMP N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274110941 1204378103 /nfs/dbraw/zinc/37/81/03/1204378103.db2.gz OTTRCHRDUCPNLK-LJQANCHMSA-N 2 1 337.427 2.205 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000104169359 1204611537 /nfs/dbraw/zinc/61/15/37/1204611537.db2.gz PFXZHSNLJVNJHD-LJQANCHMSA-N 2 1 345.535 2.316 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000104169359 1204611540 /nfs/dbraw/zinc/61/15/40/1204611540.db2.gz PFXZHSNLJVNJHD-LJQANCHMSA-N 2 1 345.535 2.316 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000104169359 1204611545 /nfs/dbraw/zinc/61/15/45/1204611545.db2.gz PFXZHSNLJVNJHD-LJQANCHMSA-N 2 1 345.535 2.316 20 30 EEEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC001274920257 1205210064 /nfs/dbraw/zinc/21/00/64/1205210064.db2.gz GJRMZBNJSHXTEF-OAQYLSRUSA-N 2 1 340.515 2.450 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000947723403 1208687440 /nfs/dbraw/zinc/68/74/40/1208687440.db2.gz VTTQBEAVOMZYQO-HOTGVXAUSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000947723403 1208687441 /nfs/dbraw/zinc/68/74/41/1208687441.db2.gz VTTQBEAVOMZYQO-HOTGVXAUSA-N 2 1 346.475 2.429 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947802371 1208723421 /nfs/dbraw/zinc/72/34/21/1208723421.db2.gz YJFCGBZDBLHTNR-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948474767 1209161737 /nfs/dbraw/zinc/16/17/37/1209161737.db2.gz YVNIVOZVGQAJAZ-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000950630636 1210312524 /nfs/dbraw/zinc/31/25/24/1210312524.db2.gz AEKHLGHFPUFMNB-UXHICEINSA-N 2 1 341.499 2.442 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000303971846 1213933397 /nfs/dbraw/zinc/93/33/97/1213933397.db2.gz FENUKHMIYZYQDK-OAHLLOKOSA-N 2 1 346.475 2.082 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC000957559106 1215209364 /nfs/dbraw/zinc/20/93/64/1215209364.db2.gz BNTVBLLGIIBXJK-KRWDZBQOSA-N 2 1 340.471 2.098 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000960327149 1216496067 /nfs/dbraw/zinc/49/60/67/1216496067.db2.gz NFIAMRVDOJEDQR-IAGOWNOFSA-N 2 1 345.874 2.207 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC000961189243 1217078239 /nfs/dbraw/zinc/07/82/39/1217078239.db2.gz YRYYWKKJOSCCKX-SJORKVTESA-N 2 1 330.476 2.479 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961189243 1217078242 /nfs/dbraw/zinc/07/82/42/1217078242.db2.gz YRYYWKKJOSCCKX-SJORKVTESA-N 2 1 330.476 2.479 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961189243 1217078245 /nfs/dbraw/zinc/07/82/45/1217078245.db2.gz YRYYWKKJOSCCKX-SJORKVTESA-N 2 1 330.476 2.479 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230570 1217099526 /nfs/dbraw/zinc/09/95/26/1217099526.db2.gz KWAIBJAAFXSWOD-ZWKOTPCHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230570 1217099528 /nfs/dbraw/zinc/09/95/28/1217099528.db2.gz KWAIBJAAFXSWOD-ZWKOTPCHSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961377004 1217165018 /nfs/dbraw/zinc/16/50/18/1217165018.db2.gz VIKOHMZUTHKXGW-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000962049120 1217464727 /nfs/dbraw/zinc/46/47/27/1217464727.db2.gz HKFPTTFGKFZKTL-BWTSREIZSA-N 2 1 327.472 2.374 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC000963404029 1217600723 /nfs/dbraw/zinc/60/07/23/1217600723.db2.gz KUFJWGHHHYQYCR-IEBWSBKVSA-N 2 1 342.487 2.079 20 30 EEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000963801340 1218045856 /nfs/dbraw/zinc/04/58/56/1218045856.db2.gz RMNPZVOSOMBYHI-RJKRPDFYSA-N 2 1 331.504 2.454 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC ZINC001037868594 1219693869 /nfs/dbraw/zinc/69/38/69/1219693869.db2.gz BRXWNHMEQUJNBG-GDBMZVCRSA-N 2 1 334.464 2.143 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423947 1220500706 /nfs/dbraw/zinc/50/07/06/1220500706.db2.gz MJKPFTJWCHWWQK-FXAWDEMLSA-N 2 1 341.499 2.254 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326765 1221210941 /nfs/dbraw/zinc/21/09/41/1221210941.db2.gz IOSUZJSHZIZACM-YLJYHZDGSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419415 1221289576 /nfs/dbraw/zinc/28/95/76/1221289576.db2.gz ULWUJRFGNCBEIW-LPHOPBHVSA-N 2 1 327.472 2.212 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000968915805 1221666846 /nfs/dbraw/zinc/66/68/46/1221666846.db2.gz RCRHGLHHYFHDDI-ZBFHGGJFSA-N 2 1 325.884 2.336 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002373 1221730804 /nfs/dbraw/zinc/73/08/04/1221730804.db2.gz ROFBOZGSRHUNCJ-QZTJIDSGSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002373 1221730806 /nfs/dbraw/zinc/73/08/06/1221730806.db2.gz ROFBOZGSRHUNCJ-QZTJIDSGSA-N 2 1 342.487 2.138 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001016654679 1226735125 /nfs/dbraw/zinc/73/51/25/1226735125.db2.gz IZEXOTGXRFUVIR-JKSUJKDBSA-N 2 1 328.460 2.307 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017148179 1227170537 /nfs/dbraw/zinc/17/05/37/1227170537.db2.gz GRIHHGNWYAOTGE-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017148179 1227170543 /nfs/dbraw/zinc/17/05/43/1227170543.db2.gz GRIHHGNWYAOTGE-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017148179 1227170546 /nfs/dbraw/zinc/17/05/46/1227170546.db2.gz GRIHHGNWYAOTGE-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017148179 1227170548 /nfs/dbraw/zinc/17/05/48/1227170548.db2.gz GRIHHGNWYAOTGE-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017148179 1227170553 /nfs/dbraw/zinc/17/05/53/1227170553.db2.gz GRIHHGNWYAOTGE-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001020250857 1229583024 /nfs/dbraw/zinc/58/30/24/1229583024.db2.gz UVKDWTLEDRSMNS-UFYCRDLUSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001020250857 1229583027 /nfs/dbraw/zinc/58/30/27/1229583027.db2.gz UVKDWTLEDRSMNS-UFYCRDLUSA-N 2 1 339.483 2.138 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153966 1230373727 /nfs/dbraw/zinc/37/37/27/1230373727.db2.gz LWXCKESWQBYBFW-RTBURBONSA-N 2 1 333.520 2.156 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167413 1230391419 /nfs/dbraw/zinc/39/14/19/1230391419.db2.gz TVLOSKIZNGRZCA-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167413 1230391422 /nfs/dbraw/zinc/39/14/22/1230391422.db2.gz TVLOSKIZNGRZCA-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167413 1230391424 /nfs/dbraw/zinc/39/14/24/1230391424.db2.gz TVLOSKIZNGRZCA-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040210100 1231104940 /nfs/dbraw/zinc/10/49/40/1231104940.db2.gz ODWNIFLJRPKUOP-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040210100 1231104943 /nfs/dbraw/zinc/10/49/43/1231104943.db2.gz ODWNIFLJRPKUOP-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210100 1231104947 /nfs/dbraw/zinc/10/49/47/1231104947.db2.gz ODWNIFLJRPKUOP-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210100 1231104949 /nfs/dbraw/zinc/10/49/49/1231104949.db2.gz ODWNIFLJRPKUOP-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040209617 1231105275 /nfs/dbraw/zinc/10/52/75/1231105275.db2.gz LJRGAZMEFARCMY-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209617 1231105278 /nfs/dbraw/zinc/10/52/78/1231105278.db2.gz LJRGAZMEFARCMY-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209617 1231105281 /nfs/dbraw/zinc/10/52/81/1231105281.db2.gz LJRGAZMEFARCMY-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC1CC1)C2 ZINC001040244340 1231129115 /nfs/dbraw/zinc/12/91/15/1231129115.db2.gz IXHALWYJQAORTE-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC1CC1)C2 ZINC001040244340 1231129118 /nfs/dbraw/zinc/12/91/18/1231129118.db2.gz IXHALWYJQAORTE-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001040244340 1231129121 /nfs/dbraw/zinc/12/91/21/1231129121.db2.gz IXHALWYJQAORTE-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001040244340 1231129123 /nfs/dbraw/zinc/12/91/23/1231129123.db2.gz IXHALWYJQAORTE-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001040270746 1231144243 /nfs/dbraw/zinc/14/42/43/1231144243.db2.gz OGEXOPBAZAKYPT-IBGZPJMESA-N 2 1 346.475 2.240 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001040270746 1231144244 /nfs/dbraw/zinc/14/42/44/1231144244.db2.gz OGEXOPBAZAKYPT-IBGZPJMESA-N 2 1 346.475 2.240 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300272 1231498971 /nfs/dbraw/zinc/49/89/71/1231498971.db2.gz GQMWSZFCSRLQPL-YLJYHZDGSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300272 1231498973 /nfs/dbraw/zinc/49/89/73/1231498973.db2.gz GQMWSZFCSRLQPL-YLJYHZDGSA-N 2 1 342.487 2.344 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001041300175 1231499153 /nfs/dbraw/zinc/49/91/53/1231499153.db2.gz FPFYNJIMOYZYJE-LZLYRXPVSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041300175 1231499154 /nfs/dbraw/zinc/49/91/54/1231499154.db2.gz FPFYNJIMOYZYJE-LZLYRXPVSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041300175 1231499157 /nfs/dbraw/zinc/49/91/57/1231499157.db2.gz FPFYNJIMOYZYJE-LZLYRXPVSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041300175 1231499158 /nfs/dbraw/zinc/49/91/58/1231499158.db2.gz FPFYNJIMOYZYJE-LZLYRXPVSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845955 1231728993 /nfs/dbraw/zinc/72/89/93/1231728993.db2.gz TXDDSUBHNXXJSA-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063462 1231862335 /nfs/dbraw/zinc/86/23/35/1231862335.db2.gz XGUKLRRIHVNXQW-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(C)C)CC1 ZINC001045895799 1234127720 /nfs/dbraw/zinc/12/77/20/1234127720.db2.gz OOSVFLLGYHYGKY-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945647 1234206860 /nfs/dbraw/zinc/20/68/60/1234206860.db2.gz WEPIWVGWDRIOOD-ICSRJNTNSA-N 2 1 333.520 2.301 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001046950803 1235346099 /nfs/dbraw/zinc/34/60/99/1235346099.db2.gz LMCFAWYRZCLUJE-JKSUJKDBSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001046950803 1235346101 /nfs/dbraw/zinc/34/61/01/1235346101.db2.gz LMCFAWYRZCLUJE-JKSUJKDBSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001046950803 1235346103 /nfs/dbraw/zinc/34/61/03/1235346103.db2.gz LMCFAWYRZCLUJE-JKSUJKDBSA-N 2 1 343.462 2.366 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047256367 1235759683 /nfs/dbraw/zinc/75/96/83/1235759683.db2.gz JQKKPRBGXQWBTR-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001048532863 1237894813 /nfs/dbraw/zinc/89/48/13/1237894813.db2.gz IZTWOUNCNFUDSJ-BCXBUDNMSA-N 2 1 349.906 2.196 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001048532863 1237894828 /nfs/dbraw/zinc/89/48/28/1237894828.db2.gz IZTWOUNCNFUDSJ-BCXBUDNMSA-N 2 1 349.906 2.196 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C/C=C\Cl ZINC001048532863 1237894838 /nfs/dbraw/zinc/89/48/38/1237894838.db2.gz IZTWOUNCNFUDSJ-BCXBUDNMSA-N 2 1 349.906 2.196 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C/C=C\Cl ZINC001048532863 1237894844 /nfs/dbraw/zinc/89/48/44/1237894844.db2.gz IZTWOUNCNFUDSJ-BCXBUDNMSA-N 2 1 349.906 2.196 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048577614 1238006239 /nfs/dbraw/zinc/00/62/39/1238006239.db2.gz DNLXTZMPVTYKSV-GGPHIMKMSA-N 2 1 331.504 2.099 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]2C1 ZINC001048939251 1239324619 /nfs/dbraw/zinc/32/46/19/1239324619.db2.gz AOQZZTVERIOVFR-CALCHBBNSA-N 2 1 342.487 2.118 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]2C1 ZINC001048939251 1239324633 /nfs/dbraw/zinc/32/46/33/1239324633.db2.gz AOQZZTVERIOVFR-CALCHBBNSA-N 2 1 342.487 2.118 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097921 1239992930 /nfs/dbraw/zinc/99/29/30/1239992930.db2.gz XCJBITDNMDCZPQ-IXDOHACOSA-N 2 1 339.911 2.392 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)CC1 ZINC001000290166 1240136577 /nfs/dbraw/zinc/13/65/77/1240136577.db2.gz OTMYPVVZCQVUKC-RBUKOAKNSA-N 2 1 343.515 2.387 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)ncc3C2)CC1 ZINC001001144777 1241723041 /nfs/dbraw/zinc/72/30/41/1241723041.db2.gz OJZFSXSNMNBLJS-QGZVFWFLSA-N 2 1 328.460 2.078 20 30 EEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001144777 1241723049 /nfs/dbraw/zinc/72/30/49/1241723049.db2.gz OJZFSXSNMNBLJS-QGZVFWFLSA-N 2 1 328.460 2.078 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001144777 1241723054 /nfs/dbraw/zinc/72/30/54/1241723054.db2.gz OJZFSXSNMNBLJS-QGZVFWFLSA-N 2 1 328.460 2.078 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049764755 1242126114 /nfs/dbraw/zinc/12/61/14/1242126114.db2.gz FGIVAEZQTDYPNQ-GBESFXJTSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913453 1242677395 /nfs/dbraw/zinc/67/73/95/1242677395.db2.gz YFDXIRYMRYCJIP-UXHICEINSA-N 2 1 339.483 2.450 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097508039 1244279927 /nfs/dbraw/zinc/27/99/27/1244279927.db2.gz UEMBPKRUZUSCDE-NXHRZFHOSA-N 2 1 337.427 2.179 20 30 EEEDMP C=CCC[NH+]1CCc2c(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cccc2C1 ZINC001051299849 1245500094 /nfs/dbraw/zinc/50/00/94/1245500094.db2.gz PXTHJSSMKYGOFA-JXFKEZNVSA-N 2 1 341.499 2.435 20 30 EEEDMP C=CCC[N@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cccc2C1 ZINC001051299849 1245500101 /nfs/dbraw/zinc/50/01/01/1245500101.db2.gz PXTHJSSMKYGOFA-JXFKEZNVSA-N 2 1 341.499 2.435 20 30 EEEDMP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cccc2C1 ZINC001051299849 1245500107 /nfs/dbraw/zinc/50/01/07/1245500107.db2.gz PXTHJSSMKYGOFA-JXFKEZNVSA-N 2 1 341.499 2.435 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001101547648 1245951129 /nfs/dbraw/zinc/95/11/29/1245951129.db2.gz KKAGVPRBWOVTMN-UHFFFAOYSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)CO2 ZINC001053980117 1247102329 /nfs/dbraw/zinc/10/23/29/1247102329.db2.gz HPHXGFFMPGIATE-MSOLQXFVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)CO2 ZINC001053980117 1247102339 /nfs/dbraw/zinc/10/23/39/1247102339.db2.gz HPHXGFFMPGIATE-MSOLQXFVSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054135954 1247490433 /nfs/dbraw/zinc/49/04/33/1247490433.db2.gz NAKMZSYNQFHBDE-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135954 1247490439 /nfs/dbraw/zinc/49/04/39/1247490439.db2.gz NAKMZSYNQFHBDE-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135954 1247490444 /nfs/dbraw/zinc/49/04/44/1247490444.db2.gz NAKMZSYNQFHBDE-NLWGTHIKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145847 1247519870 /nfs/dbraw/zinc/51/98/70/1247519870.db2.gz YTIBVWJCESZKGA-YLJYHZDGSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001054145847 1247519875 /nfs/dbraw/zinc/51/98/75/1247519875.db2.gz YTIBVWJCESZKGA-YLJYHZDGSA-N 2 1 340.471 2.098 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052551576 1247542192 /nfs/dbraw/zinc/54/21/92/1247542192.db2.gz FVRZEUWLLICYTJ-INIZCTEOSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071895576 1254762147 /nfs/dbraw/zinc/76/21/47/1254762147.db2.gz AFYXVLOEFLEKIS-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001073115847 1255697995 /nfs/dbraw/zinc/69/79/95/1255697995.db2.gz BZYJKMSIMMXMMP-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073115847 1255698001 /nfs/dbraw/zinc/69/80/01/1255698001.db2.gz BZYJKMSIMMXMMP-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073115847 1255698006 /nfs/dbraw/zinc/69/80/06/1255698006.db2.gz BZYJKMSIMMXMMP-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1C ZINC001074877664 1257185367 /nfs/dbraw/zinc/18/53/67/1257185367.db2.gz GCYZNXFOZJJGML-BXWFABGCSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185788835 1278782680 /nfs/dbraw/zinc/78/26/80/1278782680.db2.gz QHFMSANIXRKFKD-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185788835 1278782683 /nfs/dbraw/zinc/78/26/83/1278782683.db2.gz QHFMSANIXRKFKD-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C[NH+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675480 1281012976 /nfs/dbraw/zinc/01/29/76/1281012976.db2.gz ONVCAAOWPGMUCE-HXUWFJFHSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1)C1CCC1 ZINC001190675480 1281012985 /nfs/dbraw/zinc/01/29/85/1281012985.db2.gz ONVCAAOWPGMUCE-HXUWFJFHSA-N 2 1 339.483 2.055 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1)C1CCC1 ZINC001190675480 1281012995 /nfs/dbraw/zinc/01/29/95/1281012995.db2.gz ONVCAAOWPGMUCE-HXUWFJFHSA-N 2 1 339.483 2.055 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001190777460 1281070041 /nfs/dbraw/zinc/07/00/41/1281070041.db2.gz VCWZLZPVWXAFBQ-PMACEKPBSA-N 2 1 341.499 2.157 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001205764308 1283960604 /nfs/dbraw/zinc/96/06/04/1283960604.db2.gz VYLSUVOYNNDHQU-UHFFFAOYSA-N 2 1 333.520 2.493 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001197914149 1284884146 /nfs/dbraw/zinc/88/41/46/1284884146.db2.gz LKQRQOCENSGQPJ-UHFFFAOYSA-N 2 1 346.450 2.073 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098187755 1286716586 /nfs/dbraw/zinc/71/65/86/1286716586.db2.gz GTBROLSOHXFAQY-QRVBRYPASA-N 2 1 331.504 2.406 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201558387 1289665734 /nfs/dbraw/zinc/66/57/34/1289665734.db2.gz OCGRUDQEADQUTN-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](C/C=C/Cl)C2)CC1 ZINC001072094770 1295234744 /nfs/dbraw/zinc/23/47/44/1295234744.db2.gz CBNYLEIBSQTYIZ-IUZRFUNMSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](C/C=C/Cl)C2)CC1 ZINC001072094770 1295234750 /nfs/dbraw/zinc/23/47/50/1295234750.db2.gz CBNYLEIBSQTYIZ-IUZRFUNMSA-N 2 1 337.895 2.053 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213769333 1296164802 /nfs/dbraw/zinc/16/48/02/1296164802.db2.gz PRYIHGXKFZBFOU-IAGOWNOFSA-N 2 1 327.513 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213769333 1296164808 /nfs/dbraw/zinc/16/48/08/1296164808.db2.gz PRYIHGXKFZBFOU-IAGOWNOFSA-N 2 1 327.513 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213769333 1296164811 /nfs/dbraw/zinc/16/48/11/1296164811.db2.gz PRYIHGXKFZBFOU-IAGOWNOFSA-N 2 1 327.513 2.114 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001073898999 1297668839 /nfs/dbraw/zinc/66/88/39/1297668839.db2.gz IMQDZWAROZQQGG-LJQANCHMSA-N 2 1 345.487 2.145 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C[C@H](C)O2 ZINC001098589739 1298640517 /nfs/dbraw/zinc/64/05/17/1298640517.db2.gz LHSQGXXKTXEBDR-ZWKOTPCHSA-N 2 1 349.519 2.127 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099548754 1299210093 /nfs/dbraw/zinc/21/00/93/1299210093.db2.gz ZYYCBLLVRJIWBI-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548754 1299210102 /nfs/dbraw/zinc/21/01/02/1299210102.db2.gz ZYYCBLLVRJIWBI-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548754 1299210108 /nfs/dbraw/zinc/21/01/08/1299210108.db2.gz ZYYCBLLVRJIWBI-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001224576295 1300656355 /nfs/dbraw/zinc/65/63/55/1300656355.db2.gz KSNAZJOHGNRKKD-UHFFFAOYSA-N 2 1 329.488 2.175 20 30 EEEDMP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001227899833 1302002861 /nfs/dbraw/zinc/00/28/61/1302002861.db2.gz KCSWVTHTGWTVSQ-IBGZPJMESA-N 2 1 342.487 2.225 20 30 EEEDMP CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001227979223 1302038385 /nfs/dbraw/zinc/03/83/85/1302038385.db2.gz BNHVGDGCPISAIJ-MRXNPFEDSA-N 2 1 334.489 2.041 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001103773874 1303317840 /nfs/dbraw/zinc/31/78/40/1303317840.db2.gz XLERTFZMBBPLJR-RTBURBONSA-N 2 1 333.520 2.350 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001111892521 1304061404 /nfs/dbraw/zinc/06/14/04/1304061404.db2.gz UATNLSHCBAGMEV-PXNSSMCTSA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001111892521 1304061409 /nfs/dbraw/zinc/06/14/09/1304061409.db2.gz UATNLSHCBAGMEV-PXNSSMCTSA-N 2 1 342.487 2.391 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232366284 1304096837 /nfs/dbraw/zinc/09/68/37/1304096837.db2.gz UQWYVBJSUFSWML-UHFFFAOYSA-N 2 1 335.455 2.337 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1c(F)cc(C#N)cc1F ZINC001235653930 1305316874 /nfs/dbraw/zinc/31/68/74/1305316874.db2.gz IGZJEDOURYBUCG-ZWKOTPCHSA-N 2 1 334.414 2.047 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CCCCC1 ZINC001115577655 1305412968 /nfs/dbraw/zinc/41/29/68/1305412968.db2.gz BKQQNMAIOZAPLO-SJORKVTESA-N 2 1 337.483 2.241 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CCCCC1 ZINC001115577655 1305412976 /nfs/dbraw/zinc/41/29/76/1305412976.db2.gz BKQQNMAIOZAPLO-SJORKVTESA-N 2 1 337.483 2.241 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115730227 1305681663 /nfs/dbraw/zinc/68/16/63/1305681663.db2.gz GEJBMMROYJKVAE-CQSZACIVSA-N 2 1 327.900 2.489 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768778 1305752646 /nfs/dbraw/zinc/75/26/46/1305752646.db2.gz GSBPBAGHUFAWAQ-QZTJIDSGSA-N 2 1 331.504 2.435 20 30 EEEDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001118149267 1306295082 /nfs/dbraw/zinc/29/50/82/1306295082.db2.gz BHIWBUIXDZPODX-KRWDZBQOSA-N 2 1 328.460 2.454 20 30 EEEDMP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160866276 1320295887 /nfs/dbraw/zinc/29/58/87/1320295887.db2.gz AIFZMOAFAGVYQM-UXHICEINSA-N 2 1 339.483 2.151 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150299708 1316229113 /nfs/dbraw/zinc/22/91/13/1316229113.db2.gz RECFLDZWPLSHHX-ZWKOTPCHSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480868 1316275583 /nfs/dbraw/zinc/27/55/83/1316275583.db2.gz QOVYPYMJTFGZRP-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP CCN(Cc1ccccc1C#N)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200790 1317918755 /nfs/dbraw/zinc/91/87/55/1317918755.db2.gz QFZDXJMKNKVLNJ-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200790 1317918758 /nfs/dbraw/zinc/91/87/58/1317918758.db2.gz QFZDXJMKNKVLNJ-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200790 1317918760 /nfs/dbraw/zinc/91/87/60/1317918760.db2.gz QFZDXJMKNKVLNJ-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C#N ZINC001156200790 1317918765 /nfs/dbraw/zinc/91/87/65/1317918765.db2.gz QFZDXJMKNKVLNJ-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C#N ZINC001156200790 1317918768 /nfs/dbraw/zinc/91/87/68/1317918768.db2.gz QFZDXJMKNKVLNJ-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)cc1 ZINC001158038142 1318980338 /nfs/dbraw/zinc/98/03/38/1318980338.db2.gz NHJWHECLTRWIAN-RBUKOAKNSA-N 2 1 340.471 2.029 20 30 EEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2cncc2C1 ZINC001158149256 1319045211 /nfs/dbraw/zinc/04/52/11/1319045211.db2.gz ZWKOHUIRGODAAP-DLBZAZTESA-N 2 1 330.476 2.335 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC001158154897 1319046717 /nfs/dbraw/zinc/04/67/17/1319046717.db2.gz BICRLMYBCJJCEH-GOSISDBHSA-N 2 1 330.476 2.407 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001160209609 1320100164 /nfs/dbraw/zinc/10/01/64/1320100164.db2.gz SDUCWZUNOCFBPI-MOPGFXCFSA-N 2 1 343.446 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001160209609 1320100167 /nfs/dbraw/zinc/10/01/67/1320100167.db2.gz SDUCWZUNOCFBPI-MOPGFXCFSA-N 2 1 343.446 2.007 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161688552 1320588666 /nfs/dbraw/zinc/58/86/66/1320588666.db2.gz MCRHVEBWGRIGLS-NRFANRHFSA-N 2 1 339.483 2.235 20 30 EEEDMP C=C(C)C[NH+]1CCC(CNC(=O)C(C)(C)[N@H+](C)CC)(COC)CC1 ZINC001162327273 1320822969 /nfs/dbraw/zinc/82/29/69/1320822969.db2.gz PMLZDLGYTQULTE-UHFFFAOYSA-N 2 1 339.524 2.138 20 30 EEEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163939486 1321252880 /nfs/dbraw/zinc/25/28/80/1321252880.db2.gz AYVQHTAVRUDWSX-QGZVFWFLSA-N 2 1 339.524 2.164 20 30 EEEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163939486 1321252883 /nfs/dbraw/zinc/25/28/83/1321252883.db2.gz AYVQHTAVRUDWSX-QGZVFWFLSA-N 2 1 339.524 2.164 20 30 EEEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164536641 1321411643 /nfs/dbraw/zinc/41/16/43/1321411643.db2.gz PBOZTOHCCIKQJY-QGZVFWFLSA-N 2 1 331.504 2.150 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001203925472 1321991603 /nfs/dbraw/zinc/99/16/03/1321991603.db2.gz OZDGDBHNYBKWKQ-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205290316 1322342677 /nfs/dbraw/zinc/34/26/77/1322342677.db2.gz GMASZYNCNLMHNY-GOSISDBHSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001205345579 1322355525 /nfs/dbraw/zinc/35/55/25/1322355525.db2.gz RKAZFAPXMIXJSM-GOSISDBHSA-N 2 1 345.491 2.194 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001205345579 1322355535 /nfs/dbraw/zinc/35/55/35/1322355535.db2.gz RKAZFAPXMIXJSM-GOSISDBHSA-N 2 1 345.491 2.194 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461052 1323146064 /nfs/dbraw/zinc/14/60/64/1323146064.db2.gz DZHNIVKMNZUVTE-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334121 1324433254 /nfs/dbraw/zinc/43/32/54/1324433254.db2.gz FVQBXIGOWRYUCG-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209278905 1324881194 /nfs/dbraw/zinc/88/11/94/1324881194.db2.gz SDZURKBPUZSWJS-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210145035 1325177691 /nfs/dbraw/zinc/17/76/91/1325177691.db2.gz CTDHYGQBNRELBF-GOSISDBHSA-N 2 1 339.524 2.260 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)CC1 ZINC001321695679 1333144646 /nfs/dbraw/zinc/14/46/46/1333144646.db2.gz UIQSXHCXYSPBHZ-LJQANCHMSA-N 2 1 342.487 2.203 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)CC1 ZINC001321695679 1333144652 /nfs/dbraw/zinc/14/46/52/1333144652.db2.gz UIQSXHCXYSPBHZ-LJQANCHMSA-N 2 1 342.487 2.203 20 30 EEEDMP C=CCCCn1c([C@H]2CCC[NH2+]C2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001574916145 1343711380 /nfs/dbraw/zinc/71/13/80/1343711380.db2.gz RYZYYOYUENFICD-IRXDYDNUSA-N 2 1 346.523 2.242 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001388737733 1387686011 /nfs/dbraw/zinc/68/60/11/1387686011.db2.gz XAFNROHNBVVQAT-JCNLHEQBSA-N 2 1 346.450 2.024 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132523207 1367756101 /nfs/dbraw/zinc/75/61/01/1367756101.db2.gz YZTAUPCMGJSPGK-LPHOPBHVSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132523207 1367756102 /nfs/dbraw/zinc/75/61/02/1367756102.db2.gz YZTAUPCMGJSPGK-LPHOPBHVSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132523207 1367756105 /nfs/dbraw/zinc/75/61/05/1367756105.db2.gz YZTAUPCMGJSPGK-LPHOPBHVSA-N 2 1 342.487 2.368 20 30 EEEDMP C=CCN1c2ccccc2[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273826420 1368724379 /nfs/dbraw/zinc/72/43/79/1368724379.db2.gz DXXNWLBYLRVTCW-FQEVSTJZSA-N 2 1 325.456 2.257 20 30 EEEDMP C=CCN1c2ccccc2[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273826420 1368724384 /nfs/dbraw/zinc/72/43/84/1368724384.db2.gz DXXNWLBYLRVTCW-FQEVSTJZSA-N 2 1 325.456 2.257 20 30 EEEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001367360335 1374154151 /nfs/dbraw/zinc/15/41/51/1374154151.db2.gz QUNSJDFJABFHQH-ZDUSSCGKSA-N 2 1 334.489 2.041 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001378355071 1379885581 /nfs/dbraw/zinc/88/55/81/1379885581.db2.gz WXBGFOQEMVDPFO-GOSISDBHSA-N 2 1 340.471 2.171 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001394122972 1390622641 /nfs/dbraw/zinc/62/26/41/1390622641.db2.gz GOZNPFRTOYLJLF-QAPCUYQASA-N 2 1 330.476 2.081 20 30 EEEDMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001398523642 1393137246 /nfs/dbraw/zinc/13/72/46/1393137246.db2.gz OJLFJJPVDVFFCU-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cc(C)sc1C ZINC001753051840 1406639759 /nfs/dbraw/zinc/63/97/59/1406639759.db2.gz QGRNSHNXADSHQT-KRWDZBQOSA-N 2 1 333.501 2.011 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1cc(C)sc1C ZINC001753051840 1406639780 /nfs/dbraw/zinc/63/97/80/1406639780.db2.gz QGRNSHNXADSHQT-KRWDZBQOSA-N 2 1 333.501 2.011 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cc(C)sc1C ZINC001753051840 1406639789 /nfs/dbraw/zinc/63/97/89/1406639789.db2.gz QGRNSHNXADSHQT-KRWDZBQOSA-N 2 1 333.501 2.011 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cc(C)sc1C ZINC001753051840 1406639796 /nfs/dbraw/zinc/63/97/96/1406639796.db2.gz QGRNSHNXADSHQT-KRWDZBQOSA-N 2 1 333.501 2.011 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001403321844 1399763582 /nfs/dbraw/zinc/76/35/82/1399763582.db2.gz TVTIAESBTJXLNB-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001403321844 1399763585 /nfs/dbraw/zinc/76/35/85/1399763585.db2.gz TVTIAESBTJXLNB-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001403321844 1399763592 /nfs/dbraw/zinc/76/35/92/1399763592.db2.gz TVTIAESBTJXLNB-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001403359068 1399782770 /nfs/dbraw/zinc/78/27/70/1399782770.db2.gz UXPJMDAYLZZZJA-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)CO2 ZINC001755064684 1407073699 /nfs/dbraw/zinc/07/36/99/1407073699.db2.gz VRCHTIWXAUDBQD-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001755064684 1407073704 /nfs/dbraw/zinc/07/37/04/1407073704.db2.gz VRCHTIWXAUDBQD-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001423277965 1400502704 /nfs/dbraw/zinc/50/27/04/1400502704.db2.gz CHIYCQJVAOHFKC-UHFFFAOYSA-N 2 1 346.313 2.111 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001423277965 1400502709 /nfs/dbraw/zinc/50/27/09/1400502709.db2.gz CHIYCQJVAOHFKC-UHFFFAOYSA-N 2 1 346.313 2.111 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC#Cc2ccccc2)C1 ZINC001755389894 1407397126 /nfs/dbraw/zinc/39/71/26/1407397126.db2.gz GSFQHACUBSYASE-SFHVURJKSA-N 2 1 341.499 2.207 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC#Cc2ccccc2)C1 ZINC001755389894 1407397133 /nfs/dbraw/zinc/39/71/33/1407397133.db2.gz GSFQHACUBSYASE-SFHVURJKSA-N 2 1 341.499 2.207 20 30 EEEDMP CCN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715749605 1405684884 /nfs/dbraw/zinc/68/48/84/1405684884.db2.gz AVKYFRSJOOOFIZ-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CCN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001715749605 1405684897 /nfs/dbraw/zinc/68/48/97/1405684897.db2.gz AVKYFRSJOOOFIZ-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001755710931 1407765064 /nfs/dbraw/zinc/76/50/64/1407765064.db2.gz CDQZMBIJJVMJGP-FGTMMUONSA-N 2 1 330.476 2.374 20 30 EEEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104375243 759891223 /nfs/dbraw/zinc/89/12/23/759891223.db2.gz COQNYCAPUNIMMU-HZPDHXFCSA-N 2 1 348.491 2.390 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087297774 761518392 /nfs/dbraw/zinc/51/83/92/761518392.db2.gz TUQAMFDJMRAMRZ-NJAFHUGGSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087297774 761518399 /nfs/dbraw/zinc/51/83/99/761518399.db2.gz TUQAMFDJMRAMRZ-NJAFHUGGSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992270 782734738 /nfs/dbraw/zinc/73/47/38/782734738.db2.gz MRDSJMANKMSVKS-QRVBRYPASA-N 2 1 333.520 2.321 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992270 782734746 /nfs/dbraw/zinc/73/47/46/782734746.db2.gz MRDSJMANKMSVKS-QRVBRYPASA-N 2 1 333.520 2.321 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992270 782734754 /nfs/dbraw/zinc/73/47/54/782734754.db2.gz MRDSJMANKMSVKS-QRVBRYPASA-N 2 1 333.520 2.321 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021099 782779944 /nfs/dbraw/zinc/77/99/44/782779944.db2.gz TYVZVUCTPHODQW-MSOLQXFVSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021099 782779950 /nfs/dbraw/zinc/77/99/50/782779950.db2.gz TYVZVUCTPHODQW-MSOLQXFVSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021099 782779956 /nfs/dbraw/zinc/77/99/56/782779956.db2.gz TYVZVUCTPHODQW-MSOLQXFVSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089638421 773644106 /nfs/dbraw/zinc/64/41/06/773644106.db2.gz BRZMOPDRNULBPN-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638421 773644109 /nfs/dbraw/zinc/64/41/09/773644109.db2.gz BRZMOPDRNULBPN-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638421 773644112 /nfs/dbraw/zinc/64/41/12/773644112.db2.gz BRZMOPDRNULBPN-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980192083 774032486 /nfs/dbraw/zinc/03/24/86/774032486.db2.gz JVVCGKNPEIKAEE-ULQDDVLXSA-N 2 1 330.476 2.409 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980192083 774032491 /nfs/dbraw/zinc/03/24/91/774032491.db2.gz JVVCGKNPEIKAEE-ULQDDVLXSA-N 2 1 330.476 2.409 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031740480 774180675 /nfs/dbraw/zinc/18/06/75/774180675.db2.gz CYFLKQQCAJPINQ-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031740480 774180678 /nfs/dbraw/zinc/18/06/78/774180678.db2.gz CYFLKQQCAJPINQ-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028102793 777665782 /nfs/dbraw/zinc/66/57/82/777665782.db2.gz GIWJSUUDMFBOHB-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028102793 777665784 /nfs/dbraw/zinc/66/57/84/777665784.db2.gz GIWJSUUDMFBOHB-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006881 778843342 /nfs/dbraw/zinc/84/33/42/778843342.db2.gz RNFPTZLQBAORKO-UXHICEINSA-N 2 1 341.499 2.442 20 30 EEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006881 778843353 /nfs/dbraw/zinc/84/33/53/778843353.db2.gz RNFPTZLQBAORKO-UXHICEINSA-N 2 1 341.499 2.442 20 30 EEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006881 778843362 /nfs/dbraw/zinc/84/33/62/778843362.db2.gz RNFPTZLQBAORKO-UXHICEINSA-N 2 1 341.499 2.442 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982295725 779609582 /nfs/dbraw/zinc/60/95/82/779609582.db2.gz BSRPCNAONJPXAW-SESVDKBCSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC=C(C)C)C[C@]2(C)C1 ZINC000982299017 779625836 /nfs/dbraw/zinc/62/58/36/779625836.db2.gz UCQJSACEUOAZRX-SESVDKBCSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC=C(C)C)C[C@]2(C)C1 ZINC000982299017 779625840 /nfs/dbraw/zinc/62/58/40/779625840.db2.gz UCQJSACEUOAZRX-SESVDKBCSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC=C(C)C)C[C@]2(C)C1 ZINC000982299017 779625844 /nfs/dbraw/zinc/62/58/44/779625844.db2.gz UCQJSACEUOAZRX-SESVDKBCSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC=C(C)C)C[C@]2(C)C1 ZINC000982299017 779625852 /nfs/dbraw/zinc/62/58/52/779625852.db2.gz UCQJSACEUOAZRX-SESVDKBCSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001028334221 780787803 /nfs/dbraw/zinc/78/78/03/780787803.db2.gz YAABZNQZNFREGK-LJQANCHMSA-N 2 1 345.531 2.348 20 30 EEEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000809734213 783317470 /nfs/dbraw/zinc/31/74/70/783317470.db2.gz BAWUSIJWWQGTMC-QGZVFWFLSA-N 2 1 344.503 2.435 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184915 784021369 /nfs/dbraw/zinc/02/13/69/784021369.db2.gz PWRNQBFGJVYVCS-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184915 784021375 /nfs/dbraw/zinc/02/13/75/784021375.db2.gz PWRNQBFGJVYVCS-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035184915 784021382 /nfs/dbraw/zinc/02/13/82/784021382.db2.gz PWRNQBFGJVYVCS-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)CC2 ZINC001035197457 784031392 /nfs/dbraw/zinc/03/13/92/784031392.db2.gz ODMJWRLOBMONQR-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC001035197457 784031395 /nfs/dbraw/zinc/03/13/95/784031395.db2.gz ODMJWRLOBMONQR-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001035197457 784031400 /nfs/dbraw/zinc/03/14/00/784031400.db2.gz ODMJWRLOBMONQR-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035395433 784439732 /nfs/dbraw/zinc/43/97/32/784439732.db2.gz WNPNRSLBBIFUOY-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001035395433 784439739 /nfs/dbraw/zinc/43/97/39/784439739.db2.gz WNPNRSLBBIFUOY-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001035395433 784439750 /nfs/dbraw/zinc/43/97/50/784439750.db2.gz WNPNRSLBBIFUOY-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001035544851 784653480 /nfs/dbraw/zinc/65/34/80/784653480.db2.gz DWMYSTGMFYXFSU-LJQANCHMSA-N 2 1 345.487 2.145 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035719843 785013293 /nfs/dbraw/zinc/01/32/93/785013293.db2.gz BRWDVXXJQRFTER-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035720816 785015118 /nfs/dbraw/zinc/01/51/18/785015118.db2.gz NNCAUPAVAWYEFO-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996190689 786105979 /nfs/dbraw/zinc/10/59/79/786105979.db2.gz MXXDHMOWQDCNTF-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996190679 786106545 /nfs/dbraw/zinc/10/65/45/786106545.db2.gz MXXDHMOWQDCNTF-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP C[NH+](C)CCOc1ccccc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822807730 787399128 /nfs/dbraw/zinc/39/91/28/787399128.db2.gz FKRFACQELHBPAO-CQSZACIVSA-N 2 1 329.404 2.371 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000996905744 788133508 /nfs/dbraw/zinc/13/35/08/788133508.db2.gz SDQBPXNYLPUHBO-HNNXBMFYSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001030024725 788199250 /nfs/dbraw/zinc/19/92/50/788199250.db2.gz OKCQLSUEGLAMCA-SXLOBPIMSA-N 2 1 339.483 2.426 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109719040 805902908 /nfs/dbraw/zinc/90/29/08/805902908.db2.gz RYWUORSMRLKLFU-NBMJBFSESA-N 2 1 342.487 2.442 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109719040 805902913 /nfs/dbraw/zinc/90/29/13/805902913.db2.gz RYWUORSMRLKLFU-NBMJBFSESA-N 2 1 342.487 2.442 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000923288903 789317609 /nfs/dbraw/zinc/31/76/09/789317609.db2.gz MHWZDYVZKNFIBR-CGTJXYLNSA-N 2 1 348.487 2.223 20 30 EEEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000923401088 789500987 /nfs/dbraw/zinc/50/09/87/789500987.db2.gz JBPXJIFPQICXMP-RRFJBIMHSA-N 2 1 327.350 2.051 20 30 EEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000923401088 789500996 /nfs/dbraw/zinc/50/09/96/789500996.db2.gz JBPXJIFPQICXMP-RRFJBIMHSA-N 2 1 327.350 2.051 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001091111783 789793906 /nfs/dbraw/zinc/79/39/06/789793906.db2.gz CKELADGTRBTSEA-UYSNPLJNSA-N 2 1 327.900 2.344 20 30 EEEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001089908993 789797613 /nfs/dbraw/zinc/79/76/13/789797613.db2.gz HZDKMCPNQTYOHH-MUGJNUQGSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593038 791361824 /nfs/dbraw/zinc/36/18/24/791361824.db2.gz MRXXUSFAXAUDNT-STQMWFEESA-N 2 1 334.302 2.108 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998009808 791826251 /nfs/dbraw/zinc/82/62/51/791826251.db2.gz YXHPGNGMESMKCR-CEXWTWQISA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031767 791858682 /nfs/dbraw/zinc/85/86/82/791858682.db2.gz SFUXTSDQZZORQO-QZTJIDSGSA-N 2 1 342.487 2.487 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031767 791858686 /nfs/dbraw/zinc/85/86/86/791858686.db2.gz SFUXTSDQZZORQO-QZTJIDSGSA-N 2 1 342.487 2.487 20 30 EEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001147716970 791923553 /nfs/dbraw/zinc/92/35/53/791923553.db2.gz PHQJSHIFEQFKNL-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147716970 791923556 /nfs/dbraw/zinc/92/35/56/791923556.db2.gz PHQJSHIFEQFKNL-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147716970 791923557 /nfs/dbraw/zinc/92/35/57/791923557.db2.gz PHQJSHIFEQFKNL-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001147993660 792112908 /nfs/dbraw/zinc/11/29/08/792112908.db2.gz YTUHBTDZZWVXHF-SFHVURJKSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001148285128 792326498 /nfs/dbraw/zinc/32/64/98/792326498.db2.gz NJUUBLLWECSRML-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001148285128 792326512 /nfs/dbraw/zinc/32/65/12/792326512.db2.gz NJUUBLLWECSRML-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628907 792578951 /nfs/dbraw/zinc/57/89/51/792578951.db2.gz NMDLNAIBMBIQKP-BXWFABGCSA-N 2 1 337.483 2.450 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032628907 792578965 /nfs/dbraw/zinc/57/89/65/792578965.db2.gz NMDLNAIBMBIQKP-BXWFABGCSA-N 2 1 337.483 2.450 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737962 792598706 /nfs/dbraw/zinc/59/87/06/792598706.db2.gz SOEVXWAISVLQEL-HBFSDRIKSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737962 792598710 /nfs/dbraw/zinc/59/87/10/792598710.db2.gz SOEVXWAISVLQEL-HBFSDRIKSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737962 792598716 /nfs/dbraw/zinc/59/87/16/792598716.db2.gz SOEVXWAISVLQEL-HBFSDRIKSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941005 793029553 /nfs/dbraw/zinc/02/95/53/793029553.db2.gz GZKHLEIPDYGQQR-GOSISDBHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086953040 793089945 /nfs/dbraw/zinc/08/99/45/793089945.db2.gz XPCNQDZLZFFQKQ-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953181 793457170 /nfs/dbraw/zinc/45/71/70/793457170.db2.gz BKRWWNUMMIETMC-GNBUJSLZSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953181 793457173 /nfs/dbraw/zinc/45/71/73/793457173.db2.gz BKRWWNUMMIETMC-GNBUJSLZSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953181 793457177 /nfs/dbraw/zinc/45/71/77/793457177.db2.gz BKRWWNUMMIETMC-GNBUJSLZSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092190910 793653423 /nfs/dbraw/zinc/65/34/23/793653423.db2.gz ZRCFNJVIJNYPKX-HLAWJBBLSA-N 2 1 341.499 2.430 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303104 793779478 /nfs/dbraw/zinc/77/94/78/793779478.db2.gz ROXAMKUMADHZBO-HBFSDRIKSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036755152 794786521 /nfs/dbraw/zinc/78/65/21/794786521.db2.gz ROYBFQRVAPYMEW-LPHOPBHVSA-N 2 1 336.439 2.202 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001093222116 794877654 /nfs/dbraw/zinc/87/76/54/794877654.db2.gz ICJDEMWPCWRHSN-VQIMIIECSA-N 2 1 327.472 2.069 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107993810 795241686 /nfs/dbraw/zinc/24/16/86/795241686.db2.gz YVDGEDIKQAGXSC-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107993810 795241690 /nfs/dbraw/zinc/24/16/90/795241690.db2.gz YVDGEDIKQAGXSC-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107993810 795241698 /nfs/dbraw/zinc/24/16/98/795241698.db2.gz YVDGEDIKQAGXSC-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107993810 795241705 /nfs/dbraw/zinc/24/17/05/795241705.db2.gz YVDGEDIKQAGXSC-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997248 795304041 /nfs/dbraw/zinc/30/40/41/795304041.db2.gz VCIAGKUWJGVMJG-APWZRJJASA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107997248 795304048 /nfs/dbraw/zinc/30/40/48/795304048.db2.gz VCIAGKUWJGVMJG-APWZRJJASA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001107997248 795304054 /nfs/dbraw/zinc/30/40/54/795304054.db2.gz VCIAGKUWJGVMJG-APWZRJJASA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106354308 795438270 /nfs/dbraw/zinc/43/82/70/795438270.db2.gz STKGHXQCVFLQRC-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495758 796288289 /nfs/dbraw/zinc/28/82/89/796288289.db2.gz UDIGFUAWRXIKRD-QWFCFKBJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495758 796288293 /nfs/dbraw/zinc/28/82/93/796288293.db2.gz UDIGFUAWRXIKRD-QWFCFKBJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495758 796288297 /nfs/dbraw/zinc/28/82/97/796288297.db2.gz UDIGFUAWRXIKRD-QWFCFKBJSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001089967829 796302706 /nfs/dbraw/zinc/30/27/06/796302706.db2.gz HYPLZQUZXIVDMS-GOSISDBHSA-N 2 1 349.519 2.036 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902983 796441532 /nfs/dbraw/zinc/44/15/32/796441532.db2.gz SXITUAZYRWGDMU-HKUYNNGSSA-N 2 1 327.472 2.471 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C/C=C\Cl)C2)CC1 ZINC001036904547 796447793 /nfs/dbraw/zinc/44/77/93/796447793.db2.gz UAUWWYGGPOHBJX-IEVYTLJRSA-N 2 1 349.906 2.007 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001081180059 796679432 /nfs/dbraw/zinc/67/94/32/796679432.db2.gz YCTARJWZQPIBIW-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172100263 796871744 /nfs/dbraw/zinc/87/17/44/796871744.db2.gz CMDKNUNOXVRDPG-OKYOBFRVSA-N 2 1 341.499 2.497 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172100263 796871748 /nfs/dbraw/zinc/87/17/48/796871748.db2.gz CMDKNUNOXVRDPG-OKYOBFRVSA-N 2 1 341.499 2.497 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070471 797056224 /nfs/dbraw/zinc/05/62/24/797056224.db2.gz KPCHOHDTPRLDDN-KRWDZBQOSA-N 2 1 337.508 2.034 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1C#N ZINC001172976351 797178225 /nfs/dbraw/zinc/17/82/25/797178225.db2.gz OMWIARQGZLAMNJ-RDJZCZTQSA-N 2 1 348.491 2.494 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001082567403 797590597 /nfs/dbraw/zinc/59/05/97/797590597.db2.gz CQWGHAYQMJLCBA-RLLQIKCJSA-N 2 1 339.483 2.029 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001082567403 797590600 /nfs/dbraw/zinc/59/06/00/797590600.db2.gz CQWGHAYQMJLCBA-RLLQIKCJSA-N 2 1 339.483 2.029 20 30 EEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174930708 797920377 /nfs/dbraw/zinc/92/03/77/797920377.db2.gz YCLZEEQRDCBDGQ-DOTOQJQBSA-N 2 1 330.476 2.042 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994462193 798043600 /nfs/dbraw/zinc/04/36/00/798043600.db2.gz KNRQMJRUEARQOJ-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089385856 798301209 /nfs/dbraw/zinc/30/12/09/798301209.db2.gz KHHFKOIRLRFBFF-QGZVFWFLSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048718 798447474 /nfs/dbraw/zinc/44/74/74/798447474.db2.gz BWBLKNCBTWCDAG-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176566147 798500017 /nfs/dbraw/zinc/50/00/17/798500017.db2.gz YTTPIMAMKSWLMZ-VQIMIIECSA-N 2 1 342.487 2.275 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C ZINC001177485269 798977193 /nfs/dbraw/zinc/97/71/93/798977193.db2.gz UZBUXKVUOHFBCO-UHFFFAOYSA-N 2 1 330.476 2.213 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(C#N)s1 ZINC001178045727 799229872 /nfs/dbraw/zinc/22/98/72/799229872.db2.gz STDMJXLHVXGVJU-KRWDZBQOSA-N 2 1 348.516 2.480 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@@H]1C ZINC001179975803 800194268 /nfs/dbraw/zinc/19/42/68/800194268.db2.gz BZWLZIDWVSDLRK-ICSRJNTNSA-N 2 1 341.499 2.349 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001085639725 800951317 /nfs/dbraw/zinc/95/13/17/800951317.db2.gz UVWWWYCCFRMOOV-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085639725 800951322 /nfs/dbraw/zinc/95/13/22/800951322.db2.gz UVWWWYCCFRMOOV-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001085639725 800951330 /nfs/dbraw/zinc/95/13/30/800951330.db2.gz UVWWWYCCFRMOOV-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCn2ncc(CNC(=O)[C@H](CC)[NH+](C)C)c2C1 ZINC001128498475 801271060 /nfs/dbraw/zinc/27/10/60/801271060.db2.gz DBRWDFQAYQXAKD-RDJZCZTQSA-N 2 1 347.507 2.010 20 30 EEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001182614719 801278905 /nfs/dbraw/zinc/27/89/05/801278905.db2.gz NUZKASHUZVIOSV-WRWLIDTKSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001108074090 802145373 /nfs/dbraw/zinc/14/53/73/802145373.db2.gz BLZCGQAQFWMJOW-LJQANCHMSA-N 2 1 342.443 2.121 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001108258280 802613026 /nfs/dbraw/zinc/61/30/26/802613026.db2.gz PTCRSJQFOXXWJQ-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001033159777 802667948 /nfs/dbraw/zinc/66/79/48/802667948.db2.gz ABYOGORMUKUIPC-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001033159777 802667951 /nfs/dbraw/zinc/66/79/51/802667951.db2.gz ABYOGORMUKUIPC-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001033159777 802667956 /nfs/dbraw/zinc/66/79/56/802667956.db2.gz ABYOGORMUKUIPC-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001033159777 802667958 /nfs/dbraw/zinc/66/79/58/802667958.db2.gz ABYOGORMUKUIPC-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001033159777 802667963 /nfs/dbraw/zinc/66/79/63/802667963.db2.gz ABYOGORMUKUIPC-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109361222 805359560 /nfs/dbraw/zinc/35/95/60/805359560.db2.gz OWDYYMHTKJZSFB-QZWWFDLISA-N 2 1 325.472 2.354 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001086595690 809097751 /nfs/dbraw/zinc/09/77/51/809097751.db2.gz OFFOBRMKYDOPBM-OTWHNJEPSA-N 2 1 327.472 2.241 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001129417400 810831767 /nfs/dbraw/zinc/83/17/67/810831767.db2.gz NLXRPGKNSPZREJ-KRWDZBQOSA-N 2 1 346.450 2.166 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001129771439 810994964 /nfs/dbraw/zinc/99/49/64/810994964.db2.gz XOLWQJXWUUQUAT-FQEVSTJZSA-N 2 1 339.483 2.258 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001129771439 810994972 /nfs/dbraw/zinc/99/49/72/810994972.db2.gz XOLWQJXWUUQUAT-FQEVSTJZSA-N 2 1 339.483 2.258 20 30 EEEDMP C=CCCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@H+](C)CCC)C1 ZINC001130446286 811651976 /nfs/dbraw/zinc/65/19/76/811651976.db2.gz JZPRRIFWXBDWFU-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)cc1 ZINC001438937610 1091620618 /nfs/dbraw/zinc/62/06/18/1091620618.db2.gz MFEPCUWLKSZBBK-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001438937610 1091620624 /nfs/dbraw/zinc/62/06/24/1091620624.db2.gz MFEPCUWLKSZBBK-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001438937610 1091620628 /nfs/dbraw/zinc/62/06/28/1091620628.db2.gz MFEPCUWLKSZBBK-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)C1 ZINC001496371133 1100964513 /nfs/dbraw/zinc/96/45/13/1100964513.db2.gz YINGSIWYEFOFRL-LPHOPBHVSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000422830942 240252418 /nfs/dbraw/zinc/25/24/18/240252418.db2.gz JAKQHZPRPUGZDG-UAFMIMERSA-N 2 1 335.536 2.432 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1CC ZINC001087660374 782030267 /nfs/dbraw/zinc/03/02/67/782030267.db2.gz GVMWLMSFFLPJOA-DLBZAZTESA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1CC ZINC001087660374 782030277 /nfs/dbraw/zinc/03/02/77/782030277.db2.gz GVMWLMSFFLPJOA-DLBZAZTESA-N 2 1 330.476 2.307 20 30 EEEDMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000555554279 318595256 /nfs/dbraw/zinc/59/52/56/318595256.db2.gz UZRAGBMDIZFFQH-GJZGRUSLSA-N 2 1 326.448 2.059 20 30 EEEDMP C#CCOc1ccccc1C[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000075800908 462759182 /nfs/dbraw/zinc/75/91/82/462759182.db2.gz CMMVQXQNQRCVTE-UHFFFAOYSA-N 2 1 329.488 2.206 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000050031095 462985394 /nfs/dbraw/zinc/98/53/94/462985394.db2.gz CTHMLXOLBRJMJQ-UHFFFAOYSA-N 2 1 341.499 2.488 20 30 EEEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000156284571 463002381 /nfs/dbraw/zinc/00/23/81/463002381.db2.gz FJYAKTDXHCJZGF-LJQANCHMSA-N 2 1 342.487 2.039 20 30 EEEDMP C[N@H+]1CCCN(CCC[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000126731068 463660087 /nfs/dbraw/zinc/66/00/87/463660087.db2.gz OQWTZKHGQKWPAR-UHFFFAOYSA-N 2 1 326.488 2.228 20 30 EEEDMP N#CC1(c2ccccc2)CC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000126852872 463666665 /nfs/dbraw/zinc/66/66/65/463666665.db2.gz RERPLEXATJCUKO-IOJLRTSASA-N 2 1 327.472 2.437 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CC#N)cc1 ZINC000270248781 464233271 /nfs/dbraw/zinc/23/32/71/464233271.db2.gz DYXDIIXFLKJRIV-IBGZPJMESA-N 2 1 342.487 2.241 20 30 EEEDMP N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](Oc4ccncc4)C3)C2=O)cc1 ZINC000568960108 468411190 /nfs/dbraw/zinc/41/11/90/468411190.db2.gz CXZMOBCZYAGSRL-MOPGFXCFSA-N 2 1 348.406 2.212 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000295019473 464679534 /nfs/dbraw/zinc/67/95/34/464679534.db2.gz NPHRCZRQPKPCKD-UHFFFAOYSA-N 2 1 347.890 2.489 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000295019473 464679539 /nfs/dbraw/zinc/67/95/39/464679539.db2.gz NPHRCZRQPKPCKD-UHFFFAOYSA-N 2 1 347.890 2.489 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000295037813 464685896 /nfs/dbraw/zinc/68/58/96/464685896.db2.gz PEGQOOJIOQVFCD-INIZCTEOSA-N 2 1 333.451 2.268 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000295037813 464685898 /nfs/dbraw/zinc/68/58/98/464685898.db2.gz PEGQOOJIOQVFCD-INIZCTEOSA-N 2 1 333.451 2.268 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000182721564 464715696 /nfs/dbraw/zinc/71/56/96/464715696.db2.gz LQUOEZVJHRJYGJ-WMZOPIPTSA-N 2 1 334.508 2.153 20 30 EEEDMP C[C@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCC(C)CC1 ZINC000329963947 465489595 /nfs/dbraw/zinc/48/95/95/465489595.db2.gz SURYQMFLCJOKII-CVEARBPZSA-N 2 1 333.480 2.070 20 30 EEEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360954961 465660542 /nfs/dbraw/zinc/66/05/42/465660542.db2.gz ANSMAUXUQAXKCV-BZSNNMDCSA-N 2 1 336.524 2.485 20 30 EEEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C1 ZINC000370556549 466921812 /nfs/dbraw/zinc/92/18/12/466921812.db2.gz HSSCXIQRSDRLAW-LJQANCHMSA-N 2 1 342.487 2.039 20 30 EEEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C1 ZINC000370556549 466921819 /nfs/dbraw/zinc/92/18/19/466921819.db2.gz HSSCXIQRSDRLAW-LJQANCHMSA-N 2 1 342.487 2.039 20 30 EEEDMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1cccs1 ZINC000424138993 466987861 /nfs/dbraw/zinc/98/78/61/466987861.db2.gz DRDHGUREORMWRO-IIAWOOMASA-N 2 1 334.489 2.268 20 30 EEEDMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424153428 466991913 /nfs/dbraw/zinc/99/19/13/466991913.db2.gz KZOCCESHIHTHNO-MOPGFXCFSA-N 2 1 342.487 2.378 20 30 EEEDMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424164590 466994454 /nfs/dbraw/zinc/99/44/54/466994454.db2.gz CMUVSNBNKUOSBX-QZTJIDSGSA-N 2 1 328.460 2.131 20 30 EEEDMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424164590 466994459 /nfs/dbraw/zinc/99/44/59/466994459.db2.gz CMUVSNBNKUOSBX-QZTJIDSGSA-N 2 1 328.460 2.131 20 30 EEEDMP C#CCOc1ccccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377630366 467101238 /nfs/dbraw/zinc/10/12/38/467101238.db2.gz RFICATRWFACKSE-HXUWFJFHSA-N 2 1 341.499 2.299 20 30 EEEDMP C#CCOc1ccccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377630366 467101240 /nfs/dbraw/zinc/10/12/40/467101240.db2.gz RFICATRWFACKSE-HXUWFJFHSA-N 2 1 341.499 2.299 20 30 EEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000429232396 467314469 /nfs/dbraw/zinc/31/44/69/467314469.db2.gz AXLYRQSYTGNYQK-OAHLLOKOSA-N 2 1 331.464 2.108 20 30 EEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000429232396 467314472 /nfs/dbraw/zinc/31/44/72/467314472.db2.gz AXLYRQSYTGNYQK-OAHLLOKOSA-N 2 1 331.464 2.108 20 30 EEEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cn3)CC2)C[C@@H](C)O1 ZINC000559290181 468736609 /nfs/dbraw/zinc/73/66/09/468736609.db2.gz LMDJJVHKHCJYHM-HZPDHXFCSA-N 2 1 328.460 2.274 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673212 676732321 /nfs/dbraw/zinc/73/23/21/676732321.db2.gz CVZVJDSQJRNWCK-HZPDHXFCSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000971673212 676732323 /nfs/dbraw/zinc/73/23/23/676732323.db2.gz CVZVJDSQJRNWCK-HZPDHXFCSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971673212 676732326 /nfs/dbraw/zinc/73/23/26/676732326.db2.gz CVZVJDSQJRNWCK-HZPDHXFCSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971673212 676732327 /nfs/dbraw/zinc/73/23/27/676732327.db2.gz CVZVJDSQJRNWCK-HZPDHXFCSA-N 2 1 327.900 2.250 20 30 EEEDMP C#CCCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378048886 526708666 /nfs/dbraw/zinc/70/86/66/526708666.db2.gz XEAKICBLYAMECX-UHFFFAOYSA-N 2 1 348.535 2.238 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039211527 676141209 /nfs/dbraw/zinc/14/12/09/676141209.db2.gz BEYSJGMRGBJTHO-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039211527 676141211 /nfs/dbraw/zinc/14/12/11/676141211.db2.gz BEYSJGMRGBJTHO-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039211527 676141214 /nfs/dbraw/zinc/14/12/14/676141214.db2.gz BEYSJGMRGBJTHO-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700442 676359683 /nfs/dbraw/zinc/35/96/83/676359683.db2.gz PWZSSBAUASVDEK-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001022220891 676742623 /nfs/dbraw/zinc/74/26/23/676742623.db2.gz SXBYHNBQVIHCSF-BWPNAZKDSA-N 2 1 337.467 2.008 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001022220891 676742624 /nfs/dbraw/zinc/74/26/24/676742624.db2.gz SXBYHNBQVIHCSF-BWPNAZKDSA-N 2 1 337.467 2.008 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022221310 676742792 /nfs/dbraw/zinc/74/27/92/676742792.db2.gz CCWCHZUXRYQRLG-KANFNMMFSA-N 2 1 325.456 2.082 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022221310 676742794 /nfs/dbraw/zinc/74/27/94/676742794.db2.gz CCWCHZUXRYQRLG-KANFNMMFSA-N 2 1 325.456 2.082 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001022221691 676742814 /nfs/dbraw/zinc/74/28/14/676742814.db2.gz KNHGAWMEKAPMSV-GGXPGOJBSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001022221691 676742815 /nfs/dbraw/zinc/74/28/15/676742815.db2.gz KNHGAWMEKAPMSV-GGXPGOJBSA-N 2 1 343.446 2.221 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001022716664 678318342 /nfs/dbraw/zinc/31/83/42/678318342.db2.gz DNDYSOXKGUWXIK-HDICACEKSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453590 679317960 /nfs/dbraw/zinc/31/79/60/679317960.db2.gz CHBWKQVHALVDAU-OAHLLOKOSA-N 2 1 334.464 2.144 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453590 679317961 /nfs/dbraw/zinc/31/79/61/679317961.db2.gz CHBWKQVHALVDAU-OAHLLOKOSA-N 2 1 334.464 2.144 20 30 EEEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972583849 679356423 /nfs/dbraw/zinc/35/64/23/679356423.db2.gz ZKLSFGPMGLFVKC-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001023588821 679397725 /nfs/dbraw/zinc/39/77/25/679397725.db2.gz MJMMGCXYZZCFGT-MRXNPFEDSA-N 2 1 346.475 2.288 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001023588821 679397728 /nfs/dbraw/zinc/39/77/28/679397728.db2.gz MJMMGCXYZZCFGT-MRXNPFEDSA-N 2 1 346.475 2.288 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982834440 681356973 /nfs/dbraw/zinc/35/69/73/681356973.db2.gz ZSCXTGZFOZIMBX-NRSPTQNISA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982554598 681637924 /nfs/dbraw/zinc/63/79/24/681637924.db2.gz YXCWRWGGOTYZET-BGYRXZFFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623688 681817801 /nfs/dbraw/zinc/81/78/01/681817801.db2.gz LGVWNSLCJMSYNT-RLLQIKCJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623688 681817811 /nfs/dbraw/zinc/81/78/11/681817811.db2.gz LGVWNSLCJMSYNT-RLLQIKCJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623688 681817816 /nfs/dbraw/zinc/81/78/16/681817816.db2.gz LGVWNSLCJMSYNT-RLLQIKCJSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028710890 681950254 /nfs/dbraw/zinc/95/02/54/681950254.db2.gz RCLKDTXIOHZWFE-QGZVFWFLSA-N 2 1 329.488 2.419 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@]2(C)C1 ZINC000982735425 682120314 /nfs/dbraw/zinc/12/03/14/682120314.db2.gz HPBNDZNAIFRPEO-KDURUIRLSA-N 2 1 330.476 2.434 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000982735537 682120397 /nfs/dbraw/zinc/12/03/97/682120397.db2.gz IKLGLIMHUXYVJL-CALCHBBNSA-N 2 1 337.895 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000982735537 682120400 /nfs/dbraw/zinc/12/04/00/682120400.db2.gz IKLGLIMHUXYVJL-CALCHBBNSA-N 2 1 337.895 2.005 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296021 682407278 /nfs/dbraw/zinc/40/72/78/682407278.db2.gz RKAAJIIZGNHTRH-QZTJIDSGSA-N 2 1 328.460 2.060 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296021 682407280 /nfs/dbraw/zinc/40/72/80/682407280.db2.gz RKAAJIIZGNHTRH-QZTJIDSGSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527489 682956934 /nfs/dbraw/zinc/95/69/34/682956934.db2.gz HSKVUWDIFVLWQQ-XLIONFOSSA-N 2 1 341.499 2.254 20 30 EEEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000262237158 684636248 /nfs/dbraw/zinc/63/62/48/684636248.db2.gz HKOPJTBWRLQHRU-SFHVURJKSA-N 2 1 330.476 2.259 20 30 EEEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974950179 685778393 /nfs/dbraw/zinc/77/83/93/685778393.db2.gz VRLTUXJWRFOSCD-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974950179 685778397 /nfs/dbraw/zinc/77/83/97/685778397.db2.gz VRLTUXJWRFOSCD-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974950179 685778400 /nfs/dbraw/zinc/77/84/00/685778400.db2.gz VRLTUXJWRFOSCD-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974950179 685778405 /nfs/dbraw/zinc/77/84/05/685778405.db2.gz VRLTUXJWRFOSCD-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001027062891 686020433 /nfs/dbraw/zinc/02/04/33/686020433.db2.gz DJFXRUVGMNOOBJ-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040261 686064215 /nfs/dbraw/zinc/06/42/15/686064215.db2.gz PUDBIJZOWVSBFM-BEFAXECRSA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040261 686064221 /nfs/dbraw/zinc/06/42/21/686064221.db2.gz PUDBIJZOWVSBFM-BEFAXECRSA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040261 686064228 /nfs/dbraw/zinc/06/42/28/686064228.db2.gz PUDBIJZOWVSBFM-BEFAXECRSA-N 2 1 337.483 2.049 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040261 686064235 /nfs/dbraw/zinc/06/42/35/686064235.db2.gz PUDBIJZOWVSBFM-BEFAXECRSA-N 2 1 337.483 2.049 20 30 EEEDMP CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000985493803 687031949 /nfs/dbraw/zinc/03/19/49/687031949.db2.gz XDTCGFXMXIWHHF-QGZVFWFLSA-N 2 1 348.516 2.383 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001029767606 687036748 /nfs/dbraw/zinc/03/67/48/687036748.db2.gz VSILUAKAMPGBBP-WMLDXEAASA-N 2 1 348.516 2.240 20 30 EEEDMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988964837 691331907 /nfs/dbraw/zinc/33/19/07/691331907.db2.gz FNDBUQQGNAYRON-YJBOKZPZSA-N 2 1 340.471 2.122 20 30 EEEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988964836 691331969 /nfs/dbraw/zinc/33/19/69/691331969.db2.gz FNDBUQQGNAYRON-QAPCUYQASA-N 2 1 340.471 2.122 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880468 1192643398 /nfs/dbraw/zinc/64/33/98/1192643398.db2.gz MCBDTOIEVIWUEW-YRPNKDGESA-N 2 1 345.531 2.463 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC000995554351 1193145562 /nfs/dbraw/zinc/14/55/62/1193145562.db2.gz WPOAEPISFQDVSF-JKSUJKDBSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001486124253 1193688691 /nfs/dbraw/zinc/68/86/91/1193688691.db2.gz NJLMLMWYIKQZPJ-WMZOPIPTSA-N 2 1 349.906 2.492 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001752911081 1190899734 /nfs/dbraw/zinc/89/97/34/1190899734.db2.gz JOIQDSDETKCYTR-OAHLLOKOSA-N 2 1 335.879 2.128 20 30 EEEDMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001485356238 1191760734 /nfs/dbraw/zinc/76/07/34/1191760734.db2.gz AZOFFLIFQPYYJM-CQSZACIVSA-N 2 1 348.516 2.288 20 30 EEEDMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001485356238 1191760736 /nfs/dbraw/zinc/76/07/36/1191760736.db2.gz AZOFFLIFQPYYJM-CQSZACIVSA-N 2 1 348.516 2.288 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365493 1194480066 /nfs/dbraw/zinc/48/00/66/1194480066.db2.gz NRFMBEVPLBQHDC-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365493 1194480068 /nfs/dbraw/zinc/48/00/68/1194480068.db2.gz NRFMBEVPLBQHDC-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365493 1194480069 /nfs/dbraw/zinc/48/00/69/1194480069.db2.gz NRFMBEVPLBQHDC-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365493 1194480071 /nfs/dbraw/zinc/48/00/71/1194480071.db2.gz NRFMBEVPLBQHDC-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034139188 1195811539 /nfs/dbraw/zinc/81/15/39/1195811539.db2.gz SJSGOLLJAIWSFR-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001034139188 1195811541 /nfs/dbraw/zinc/81/15/41/1195811541.db2.gz SJSGOLLJAIWSFR-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001034139188 1195811543 /nfs/dbraw/zinc/81/15/43/1195811543.db2.gz SJSGOLLJAIWSFR-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001034394500 1196184120 /nfs/dbraw/zinc/18/41/20/1196184120.db2.gz NPDREIWMIGHOMR-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394500 1196184122 /nfs/dbraw/zinc/18/41/22/1196184122.db2.gz NPDREIWMIGHOMR-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394500 1196184124 /nfs/dbraw/zinc/18/41/24/1196184124.db2.gz NPDREIWMIGHOMR-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445093 1196220082 /nfs/dbraw/zinc/22/00/82/1196220082.db2.gz PPUXTCRCNURLSJ-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP C[NH+](C)CC1(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)CCCC1 ZINC001273137129 1196719352 /nfs/dbraw/zinc/71/93/52/1196719352.db2.gz OUQOOKUZTURYDO-QZTJIDSGSA-N 2 1 346.519 2.477 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001132273485 1199522488 /nfs/dbraw/zinc/52/24/88/1199522488.db2.gz GGDPMXRQXWRDAY-YOEHRIQHSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001132273485 1199522489 /nfs/dbraw/zinc/52/24/89/1199522489.db2.gz GGDPMXRQXWRDAY-YOEHRIQHSA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132331149 1199578410 /nfs/dbraw/zinc/57/84/10/1199578410.db2.gz LVVHGTIABFZBAH-IRXDYDNUSA-N 2 1 348.491 2.178 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132331149 1199578414 /nfs/dbraw/zinc/57/84/14/1199578414.db2.gz LVVHGTIABFZBAH-IRXDYDNUSA-N 2 1 348.491 2.178 20 30 EEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000877031729 1199849227 /nfs/dbraw/zinc/84/92/27/1199849227.db2.gz UPQWWCWZLVHCII-SJLPKXTDSA-N 2 1 335.492 2.318 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC[NH2+]CC)Cc1cccc(Cl)c1 ZINC001133399698 1200845955 /nfs/dbraw/zinc/84/59/55/1200845955.db2.gz VMQKIPCJIXVUFP-SFHVURJKSA-N 2 1 347.890 2.376 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC[NH2+]CC)Cc1cccc(Cl)c1 ZINC001133399698 1200845959 /nfs/dbraw/zinc/84/59/59/1200845959.db2.gz VMQKIPCJIXVUFP-SFHVURJKSA-N 2 1 347.890 2.376 20 30 EEEDMP N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001274266639 1204979796 /nfs/dbraw/zinc/97/97/96/1204979796.db2.gz ADFPJEFKJHWREM-LJQANCHMSA-N 2 1 337.427 2.291 20 30 EEEDMP N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001274267288 1204981361 /nfs/dbraw/zinc/98/13/61/1204981361.db2.gz CTZJYYXZVLAYSA-QZTJIDSGSA-N 2 1 337.427 2.432 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC001276160622 1205805849 /nfs/dbraw/zinc/80/58/49/1205805849.db2.gz LGXPIASNJRWHSK-OAQYLSRUSA-N 2 1 348.450 2.381 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC001276160622 1205805850 /nfs/dbraw/zinc/80/58/50/1205805850.db2.gz LGXPIASNJRWHSK-OAQYLSRUSA-N 2 1 348.450 2.381 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948717130 1209322826 /nfs/dbraw/zinc/32/28/26/1209322826.db2.gz MWXYSYLEBOORFV-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948717130 1209322828 /nfs/dbraw/zinc/32/28/28/1209322828.db2.gz MWXYSYLEBOORFV-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000948916166 1209450619 /nfs/dbraw/zinc/45/06/19/1209450619.db2.gz PAGZYRKDHFOAJX-UXHICEINSA-N 2 1 339.483 2.230 20 30 EEEDMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000948916166 1209450623 /nfs/dbraw/zinc/45/06/23/1209450623.db2.gz PAGZYRKDHFOAJX-UXHICEINSA-N 2 1 339.483 2.230 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)s1 ZINC001111309253 1210105309 /nfs/dbraw/zinc/10/53/09/1210105309.db2.gz MRKVYSNZEUWSLE-XYPHTWIQSA-N 2 1 346.500 2.183 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1ccc2ccccc21 ZINC000303778324 1213904944 /nfs/dbraw/zinc/90/49/44/1213904944.db2.gz JMFBSLPIEIUONH-QGZVFWFLSA-N 2 1 327.476 2.420 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@H+](CC)C3)CC2)CC1 ZINC000961436909 1217189577 /nfs/dbraw/zinc/18/95/77/1217189577.db2.gz XZVOQOQBVRPJKV-FQEVSTJZSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008600825 1222955277 /nfs/dbraw/zinc/95/52/77/1222955277.db2.gz BLNRGQTVZXFVST-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008600825 1222955282 /nfs/dbraw/zinc/95/52/82/1222955282.db2.gz BLNRGQTVZXFVST-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008600825 1222955285 /nfs/dbraw/zinc/95/52/85/1222955285.db2.gz BLNRGQTVZXFVST-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016860530 1226927793 /nfs/dbraw/zinc/92/77/93/1226927793.db2.gz IQNIYCJLPZTCSC-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001017851971 1227797549 /nfs/dbraw/zinc/79/75/49/1227797549.db2.gz LEOJZFZXDZYYSW-NXHRZFHOSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001017851971 1227797555 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EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040116600 1231033667 /nfs/dbraw/zinc/03/36/67/1231033667.db2.gz ZFTAXWBOSDLZFM-DOTOQJQBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040116600 1231033670 /nfs/dbraw/zinc/03/36/70/1231033670.db2.gz ZFTAXWBOSDLZFM-DOTOQJQBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040210098 1231105306 /nfs/dbraw/zinc/10/53/06/1231105306.db2.gz ODWNIFLJRPKUOP-JFIYKMOQSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040210098 1231105307 /nfs/dbraw/zinc/10/53/07/1231105307.db2.gz ODWNIFLJRPKUOP-JFIYKMOQSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210098 1231105310 /nfs/dbraw/zinc/10/53/10/1231105310.db2.gz ODWNIFLJRPKUOP-JFIYKMOQSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210098 1231105311 /nfs/dbraw/zinc/10/53/11/1231105311.db2.gz ODWNIFLJRPKUOP-JFIYKMOQSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040229064 1231117339 /nfs/dbraw/zinc/11/73/39/1231117339.db2.gz PEQPEWCOYGQXDU-IBGZPJMESA-N 2 1 345.512 2.371 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241917 1231126551 /nfs/dbraw/zinc/12/65/51/1231126551.db2.gz VKUVFBDYRCVOST-AEFFLSMTSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241917 1231126552 /nfs/dbraw/zinc/12/65/52/1231126552.db2.gz VKUVFBDYRCVOST-AEFFLSMTSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242725 1231128304 /nfs/dbraw/zinc/12/83/04/1231128304.db2.gz ZZUJXKXVIXOQAU-FXAWDEMLSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242725 1231128307 /nfs/dbraw/zinc/12/83/07/1231128307.db2.gz ZZUJXKXVIXOQAU-FXAWDEMLSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542720 1231283937 /nfs/dbraw/zinc/28/39/37/1231283937.db2.gz CUPQBRMGNNBEKB-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545593 1231286312 /nfs/dbraw/zinc/28/63/12/1231286312.db2.gz RQAJFGQQKCSJEE-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301326 1231498638 /nfs/dbraw/zinc/49/86/38/1231498638.db2.gz LMXBNOUZHPBFOM-PXNSSMCTSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301326 1231498640 /nfs/dbraw/zinc/49/86/40/1231498640.db2.gz LMXBNOUZHPBFOM-PXNSSMCTSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](C[C@H](F)CC)C3)C2)CC1 ZINC001041844978 1231728139 /nfs/dbraw/zinc/72/81/39/1231728139.db2.gz QRURZLCTNUOKFU-QUCCMNQESA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCC(=C)C)[C@@H]3C2)CC1 ZINC001042369460 1232050876 /nfs/dbraw/zinc/05/08/76/1232050876.db2.gz YJTAEXLPRJJXMK-AZUAARDMSA-N 2 1 343.515 2.221 20 30 EEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001043884128 1232614706 /nfs/dbraw/zinc/61/47/06/1232614706.db2.gz BELWVRJUDTYCNU-SFHVURJKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001043884128 1232614708 /nfs/dbraw/zinc/61/47/08/1232614708.db2.gz BELWVRJUDTYCNU-SFHVURJKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533834 1233797487 /nfs/dbraw/zinc/79/74/87/1233797487.db2.gz YLRYGFYCQPNGOG-KRWDZBQOSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533834 1233797488 /nfs/dbraw/zinc/79/74/88/1233797488.db2.gz YLRYGFYCQPNGOG-KRWDZBQOSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045966675 1234246421 /nfs/dbraw/zinc/24/64/21/1234246421.db2.gz CGNYIQGQAMCDDQ-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001045966675 1234246426 /nfs/dbraw/zinc/24/64/26/1234246426.db2.gz CGNYIQGQAMCDDQ-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001045966675 1234246433 /nfs/dbraw/zinc/24/64/33/1234246433.db2.gz CGNYIQGQAMCDDQ-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045967562 1234248457 /nfs/dbraw/zinc/24/84/57/1234248457.db2.gz XLQYPZKRGKVCAJ-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045967562 1234248460 /nfs/dbraw/zinc/24/84/60/1234248460.db2.gz XLQYPZKRGKVCAJ-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP N#CC1(CCCCn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)CCC1 ZINC000900618608 1234571605 /nfs/dbraw/zinc/57/16/05/1234571605.db2.gz YSOJUQXKDBPHRS-UHFFFAOYSA-N 2 1 330.480 2.108 20 30 EEEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001046950906 1235347434 /nfs/dbraw/zinc/34/74/34/1235347434.db2.gz MSMKZSCKZXHBQC-OAHLLOKOSA-N 2 1 341.446 2.264 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047226774 1235701531 /nfs/dbraw/zinc/70/15/31/1235701531.db2.gz XHYHFWUGZQIJTA-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001048531372 1237886783 /nfs/dbraw/zinc/88/67/83/1237886783.db2.gz MFVWQAHZKUBWEO-FCGDIQPGSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048531372 1237886791 /nfs/dbraw/zinc/88/67/91/1237886791.db2.gz MFVWQAHZKUBWEO-FCGDIQPGSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048531372 1237886804 /nfs/dbraw/zinc/88/68/04/1237886804.db2.gz MFVWQAHZKUBWEO-FCGDIQPGSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001048558133 1237960224 /nfs/dbraw/zinc/96/02/24/1237960224.db2.gz JERHZGJOILQWMY-FJIDUMEYSA-N 2 1 342.487 2.299 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001048558133 1237960230 /nfs/dbraw/zinc/96/02/30/1237960230.db2.gz JERHZGJOILQWMY-FJIDUMEYSA-N 2 1 342.487 2.299 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574251 1237998769 /nfs/dbraw/zinc/99/87/69/1237998769.db2.gz TZEVJWOZDJJABX-OBKDMQGPSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048574251 1237998775 /nfs/dbraw/zinc/99/87/75/1237998775.db2.gz TZEVJWOZDJJABX-OBKDMQGPSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048574251 1237998778 /nfs/dbraw/zinc/99/87/78/1237998778.db2.gz TZEVJWOZDJJABX-OBKDMQGPSA-N 2 1 343.515 2.386 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]2C1 ZINC001048851517 1238986840 /nfs/dbraw/zinc/98/68/40/1238986840.db2.gz WNCHHNUKDRCDJY-IYBDPMFKSA-N 2 1 333.501 2.390 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107312 1240017834 /nfs/dbraw/zinc/01/78/34/1240017834.db2.gz DOSQDFKHYFFITG-VVLHAWIVSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107312 1240017842 /nfs/dbraw/zinc/01/78/42/1240017842.db2.gz DOSQDFKHYFFITG-VVLHAWIVSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107312 1240017854 /nfs/dbraw/zinc/01/78/54/1240017854.db2.gz DOSQDFKHYFFITG-VVLHAWIVSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001000196219 1240052800 /nfs/dbraw/zinc/05/28/00/1240052800.db2.gz CQGOOHHOFCIFPI-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CC2)CC1 ZINC001000262593 1240109467 /nfs/dbraw/zinc/10/94/67/1240109467.db2.gz ZIFSRQPVYXRYGF-INIZCTEOSA-N 2 1 342.487 2.301 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC001049235023 1240339016 /nfs/dbraw/zinc/33/90/16/1240339016.db2.gz KMIVEUFROJUNQT-HDICACEKSA-N 2 1 327.472 2.328 20 30 EEEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]2C1 ZINC001049243827 1240362275 /nfs/dbraw/zinc/36/22/75/1240362275.db2.gz FUBXTAMWYQZYFY-CALCHBBNSA-N 2 1 343.471 2.149 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=C)C ZINC001049528865 1241261567 /nfs/dbraw/zinc/26/15/67/1241261567.db2.gz IRAIMMAGQKAHRE-QRVBRYPASA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=C)C ZINC001049528865 1241261578 /nfs/dbraw/zinc/26/15/78/1241261578.db2.gz IRAIMMAGQKAHRE-QRVBRYPASA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=C)C ZINC001049528865 1241261590 /nfs/dbraw/zinc/26/15/90/1241261590.db2.gz IRAIMMAGQKAHRE-QRVBRYPASA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=C)C ZINC001049528865 1241261601 /nfs/dbraw/zinc/26/16/01/1241261601.db2.gz IRAIMMAGQKAHRE-QRVBRYPASA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049719553 1241983793 /nfs/dbraw/zinc/98/37/93/1241983793.db2.gz MUPPQKOVGGDSNF-PMACEKPBSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)CC1 ZINC001050208751 1243125298 /nfs/dbraw/zinc/12/52/98/1243125298.db2.gz QJCBQVLMNOXDAF-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)CC1 ZINC001050524583 1243780660 /nfs/dbraw/zinc/78/06/60/1243780660.db2.gz GVFUURHZIURFIU-QGZVFWFLSA-N 2 1 342.487 2.344 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052716222 1244821417 /nfs/dbraw/zinc/82/14/17/1244821417.db2.gz KVQVKLIUKPBTAH-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052716222 1244821425 /nfs/dbraw/zinc/82/14/25/1244821425.db2.gz KVQVKLIUKPBTAH-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052716222 1244821436 /nfs/dbraw/zinc/82/14/36/1244821436.db2.gz KVQVKLIUKPBTAH-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101574865 1245978606 /nfs/dbraw/zinc/97/86/06/1245978606.db2.gz HGZFIUDHBNSPGO-SJLPKXTDSA-N 2 1 333.520 2.062 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)O2 ZINC001053621602 1246546524 /nfs/dbraw/zinc/54/65/24/1246546524.db2.gz IKTMHWFKMBKLRI-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001052255275 1246781993 /nfs/dbraw/zinc/78/19/93/1246781993.db2.gz YPTVENQIETUOBK-VQTJNVASSA-N 2 1 339.483 2.103 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001052255275 1246782007 /nfs/dbraw/zinc/78/20/07/1246782007.db2.gz YPTVENQIETUOBK-VQTJNVASSA-N 2 1 339.483 2.103 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001052255275 1246782010 /nfs/dbraw/zinc/78/20/10/1246782010.db2.gz YPTVENQIETUOBK-VQTJNVASSA-N 2 1 339.483 2.103 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001054040869 1247199686 /nfs/dbraw/zinc/19/96/86/1247199686.db2.gz BSYYJFSOMOIFHN-SLFFLAALSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001054040869 1247199690 /nfs/dbraw/zinc/19/96/90/1247199690.db2.gz BSYYJFSOMOIFHN-SLFFLAALSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001054040869 1247199695 /nfs/dbraw/zinc/19/96/95/1247199695.db2.gz BSYYJFSOMOIFHN-SLFFLAALSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001054040869 1247199696 /nfs/dbraw/zinc/19/96/96/1247199696.db2.gz BSYYJFSOMOIFHN-SLFFLAALSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001054061145 1247275521 /nfs/dbraw/zinc/27/55/21/1247275521.db2.gz VOFFBDOEWHKUCK-MOPGFXCFSA-N 2 1 327.472 2.057 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054061145 1247275533 /nfs/dbraw/zinc/27/55/33/1247275533.db2.gz VOFFBDOEWHKUCK-MOPGFXCFSA-N 2 1 327.472 2.057 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054061145 1247275540 /nfs/dbraw/zinc/27/55/40/1247275540.db2.gz VOFFBDOEWHKUCK-MOPGFXCFSA-N 2 1 327.472 2.057 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129431 1247471574 /nfs/dbraw/zinc/47/15/74/1247471574.db2.gz QSJHNYWYCLVMGL-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129431 1247471581 /nfs/dbraw/zinc/47/15/81/1247471581.db2.gz QSJHNYWYCLVMGL-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129431 1247471590 /nfs/dbraw/zinc/47/15/90/1247471590.db2.gz QSJHNYWYCLVMGL-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054133536 1247484127 /nfs/dbraw/zinc/48/41/27/1247484127.db2.gz FMZSSLJUMAHGMY-UYAOXDASSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001054225789 1247774910 /nfs/dbraw/zinc/77/49/10/1247774910.db2.gz DLNSSNSUIYYYHT-NRFANRHFSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054243563 1247851761 /nfs/dbraw/zinc/85/17/61/1247851761.db2.gz JYSHXYVQHNFVIL-OAQYLSRUSA-N 2 1 339.483 2.310 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001072080997 1254918052 /nfs/dbraw/zinc/91/80/52/1254918052.db2.gz FHWCSCDSTGPLBX-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099355 1254931126 /nfs/dbraw/zinc/93/11/26/1254931126.db2.gz PSKZFUOCRJRBTB-AEFFLSMTSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099281855 1258058729 /nfs/dbraw/zinc/05/87/29/1258058729.db2.gz ZYCPEHSOHMOMPQ-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+]1CCCC1 ZINC001099552528 1258200268 /nfs/dbraw/zinc/20/02/68/1258200268.db2.gz OKSMYVWWFHUMAR-RDGPPVDQSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001185389187 1278605367 /nfs/dbraw/zinc/60/53/67/1278605367.db2.gz GXZZNRJOGCBIRX-CVEARBPZSA-N 2 1 339.443 2.141 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188112592 1279768826 /nfs/dbraw/zinc/76/88/26/1279768826.db2.gz GULFISROSCAJTJ-GVDBMIGSSA-N 2 1 325.472 2.165 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188673265 1279982983 /nfs/dbraw/zinc/98/29/83/1279982983.db2.gz HHPGWYDCWPJPHF-OTWHNJEPSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198617385 1285246404 /nfs/dbraw/zinc/24/64/04/1285246404.db2.gz OMRMXLIMBTZJBB-SJORKVTESA-N 2 1 331.460 2.112 20 30 EEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202197429 1289941771 /nfs/dbraw/zinc/94/17/71/1289941771.db2.gz QHAYACMWGAGTHB-INIZCTEOSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242954 1322329139 /nfs/dbraw/zinc/32/91/39/1322329139.db2.gz XCXFCTBHGPYAAM-MRXNPFEDSA-N 2 1 327.900 2.440 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H](OC)C1 ZINC001213781812 1296170878 /nfs/dbraw/zinc/17/08/78/1296170878.db2.gz WTKTYJPKAJGNQN-IAGOWNOFSA-N 2 1 336.480 2.046 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001073697497 1297409260 /nfs/dbraw/zinc/40/92/60/1297409260.db2.gz KVZOYVNBCYSECI-SFHVURJKSA-N 2 1 342.443 2.121 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001220868616 1298566590 /nfs/dbraw/zinc/56/65/90/1298566590.db2.gz MDOJSOJTNMWWIL-QYZOEREBSA-N 2 1 327.472 2.494 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099280319 1298997281 /nfs/dbraw/zinc/99/72/81/1298997281.db2.gz FMSDXPIKSLYFGK-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001101551723 1299685171 /nfs/dbraw/zinc/68/51/71/1299685171.db2.gz ZAHZPXATYNLPEP-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCCC[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001228307554 1302199321 /nfs/dbraw/zinc/19/93/21/1302199321.db2.gz FOFBUWMCTHQVOB-UHFFFAOYSA-N 2 1 330.476 2.309 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185534 1302415549 /nfs/dbraw/zinc/41/55/49/1302415549.db2.gz BMHOPHHGAGEBPT-GDBMZVCRSA-N 2 1 339.911 2.442 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001103537109 1303084963 /nfs/dbraw/zinc/08/49/63/1303084963.db2.gz SOVMOPMYKJBSSH-YLJYHZDGSA-N 2 1 341.499 2.459 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648170 1303186058 /nfs/dbraw/zinc/18/60/58/1303186058.db2.gz XKUZBIPIWPIBGG-HZPDHXFCSA-N 2 1 330.476 2.412 20 30 EEEDMP CCCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235721078 1305350372 /nfs/dbraw/zinc/35/03/72/1305350372.db2.gz FPVLDQAPUUHLDX-KZNAEPCWSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235721078 1305350377 /nfs/dbraw/zinc/35/03/77/1305350377.db2.gz FPVLDQAPUUHLDX-KZNAEPCWSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001235721078 1305350392 /nfs/dbraw/zinc/35/03/92/1305350392.db2.gz FPVLDQAPUUHLDX-KZNAEPCWSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001235721078 1305350408 /nfs/dbraw/zinc/35/04/08/1305350408.db2.gz FPVLDQAPUUHLDX-KZNAEPCWSA-N 2 1 339.524 2.209 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001121134116 1309926448 /nfs/dbraw/zinc/92/64/48/1309926448.db2.gz UFHUARRVABYGEA-UEBDJUODSA-N 2 1 342.487 2.437 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246304298 1310276160 /nfs/dbraw/zinc/27/61/60/1310276160.db2.gz MEJLFEFIKYUISC-ZACQAIPSSA-N 3 1 325.497 2.114 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001246670187 1310376004 /nfs/dbraw/zinc/37/60/04/1310376004.db2.gz OSGUKYMLFKRRKB-AEGPPILISA-N 2 1 334.382 2.358 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001246670187 1310376011 /nfs/dbraw/zinc/37/60/11/1310376011.db2.gz OSGUKYMLFKRRKB-AEGPPILISA-N 2 1 334.382 2.358 20 30 EEEDMP CCN(Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152391683 1316665649 /nfs/dbraw/zinc/66/56/49/1316665649.db2.gz DIQWTGXMEWDFIQ-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152391683 1316665652 /nfs/dbraw/zinc/66/56/52/1316665652.db2.gz DIQWTGXMEWDFIQ-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152391683 1316665655 /nfs/dbraw/zinc/66/56/55/1316665655.db2.gz DIQWTGXMEWDFIQ-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152391683 1316665660 /nfs/dbraw/zinc/66/56/60/1316665660.db2.gz DIQWTGXMEWDFIQ-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362220 1316817242 /nfs/dbraw/zinc/81/72/42/1316817242.db2.gz KXPPABSKCFWDMM-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898295 1317375215 /nfs/dbraw/zinc/37/52/15/1317375215.db2.gz GLULUNGLGWASPT-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066869 1317440691 /nfs/dbraw/zinc/44/06/91/1317440691.db2.gz PHPMJCNWHJBJOL-VQIMIIECSA-N 2 1 344.503 2.471 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001155289169 1317540128 /nfs/dbraw/zinc/54/01/28/1317540128.db2.gz MOTGYSPEXOSUPR-APWZRJJASA-N 2 1 347.478 2.344 20 30 EEEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001252474019 1317611678 /nfs/dbraw/zinc/61/16/78/1317611678.db2.gz UYUHDYFAODIISD-SLFFLAALSA-N 2 1 330.472 2.004 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001252474019 1317611684 /nfs/dbraw/zinc/61/16/84/1317611684.db2.gz UYUHDYFAODIISD-SLFFLAALSA-N 2 1 330.472 2.004 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001252474019 1317611687 /nfs/dbraw/zinc/61/16/87/1317611687.db2.gz UYUHDYFAODIISD-SLFFLAALSA-N 2 1 330.472 2.004 20 30 EEEDMP C=C[C@](C)(O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001252552650 1317634636 /nfs/dbraw/zinc/63/46/36/1317634636.db2.gz LDQACJASHKHNMY-WMZOPIPTSA-N 2 1 334.460 2.272 20 30 EEEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001254665995 1318163114 /nfs/dbraw/zinc/16/31/14/1318163114.db2.gz SNKBDDIAXKSMBE-YSTOQKLRSA-N 2 1 340.471 2.297 20 30 EEEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001254665995 1318163116 /nfs/dbraw/zinc/16/31/16/1318163116.db2.gz SNKBDDIAXKSMBE-YSTOQKLRSA-N 2 1 340.471 2.297 20 30 EEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158059441 1318988856 /nfs/dbraw/zinc/98/88/56/1318988856.db2.gz AXSNCIPQFFTVRR-SJORKVTESA-N 2 1 328.460 2.097 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158059441 1318988862 /nfs/dbraw/zinc/98/88/62/1318988862.db2.gz AXSNCIPQFFTVRR-SJORKVTESA-N 2 1 328.460 2.097 20 30 EEEDMP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001158571317 1319313277 /nfs/dbraw/zinc/31/32/77/1319313277.db2.gz CIENHTDPUWXFJV-FUHWJXTLSA-N 2 1 348.491 2.104 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466835 1320169580 /nfs/dbraw/zinc/16/95/80/1320169580.db2.gz KPBIKKBFNHPESX-RTBURBONSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160466835 1320169582 /nfs/dbraw/zinc/16/95/82/1320169582.db2.gz KPBIKKBFNHPESX-RTBURBONSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160466835 1320169585 /nfs/dbraw/zinc/16/95/85/1320169585.db2.gz KPBIKKBFNHPESX-RTBURBONSA-N 2 1 329.488 2.165 20 30 EEEDMP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001161090478 1320382632 /nfs/dbraw/zinc/38/26/32/1320382632.db2.gz VBQHRPXWLMACMN-UHFFFAOYSA-N 2 1 346.500 2.210 20 30 EEEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001162929460 1320990892 /nfs/dbraw/zinc/99/08/92/1320990892.db2.gz YQAJOYCSGWZXHB-ICSRJNTNSA-N 2 1 343.515 2.421 20 30 EEEDMP CC#CC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578849 1321424054 /nfs/dbraw/zinc/42/40/54/1321424054.db2.gz WCQKGJRDNIIICB-INIZCTEOSA-N 2 1 330.476 2.296 20 30 EEEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165736166 1321575482 /nfs/dbraw/zinc/57/54/82/1321575482.db2.gz IGJCUCSOLQBFKY-ZWKOTPCHSA-N 2 1 349.519 2.082 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001166634898 1321756030 /nfs/dbraw/zinc/75/60/30/1321756030.db2.gz YEDROHQCZSZUCY-INIZCTEOSA-N 2 1 347.890 2.272 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205284292 1322341924 /nfs/dbraw/zinc/34/19/24/1322341924.db2.gz LIPMOHXLHVUSSA-DLBZAZTESA-N 2 1 339.911 2.442 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207686885 1324090893 /nfs/dbraw/zinc/09/08/93/1324090893.db2.gz QSKHSTSTQKCHME-BRSBDYLESA-N 2 1 339.524 2.112 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207686885 1324090897 /nfs/dbraw/zinc/09/08/97/1324090897.db2.gz QSKHSTSTQKCHME-BRSBDYLESA-N 2 1 339.524 2.112 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001207686885 1324090902 /nfs/dbraw/zinc/09/09/02/1324090902.db2.gz QSKHSTSTQKCHME-BRSBDYLESA-N 2 1 339.524 2.112 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001207686885 1324090909 /nfs/dbraw/zinc/09/09/09/1324090909.db2.gz QSKHSTSTQKCHME-BRSBDYLESA-N 2 1 339.524 2.112 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCC=C)C1 ZINC001208352642 1324444393 /nfs/dbraw/zinc/44/43/93/1324444393.db2.gz KKDQTTIZFDGIFO-MOPGFXCFSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCC=C)C1 ZINC001208352642 1324444397 /nfs/dbraw/zinc/44/43/97/1324444397.db2.gz KKDQTTIZFDGIFO-MOPGFXCFSA-N 2 1 331.504 2.411 20 30 EEEDMP C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208490590 1324523225 /nfs/dbraw/zinc/52/32/25/1324523225.db2.gz CBLPXTDGUVSBCD-CRAIPNDOSA-N 2 1 347.890 2.080 20 30 EEEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208490590 1324523228 /nfs/dbraw/zinc/52/32/28/1324523228.db2.gz CBLPXTDGUVSBCD-CRAIPNDOSA-N 2 1 347.890 2.080 20 30 EEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2CCCc1ccc(C#N)cc1 ZINC001208861228 1324695634 /nfs/dbraw/zinc/69/56/34/1324695634.db2.gz GEPVDJHDULVIFB-UXHICEINSA-N 2 1 326.488 2.201 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001332012763 1335705501 /nfs/dbraw/zinc/70/55/01/1335705501.db2.gz MLGZOOGOPYMRMT-SFHVURJKSA-N 2 1 346.519 2.180 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001332012763 1335705504 /nfs/dbraw/zinc/70/55/04/1335705504.db2.gz MLGZOOGOPYMRMT-SFHVURJKSA-N 2 1 346.519 2.180 20 30 EEEDMP N#Cc1cccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001580076255 1344466803 /nfs/dbraw/zinc/46/68/03/1344466803.db2.gz SPFWZLXIYBDFDM-QGZVFWFLSA-N 2 1 326.444 2.208 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578690 1368913380 /nfs/dbraw/zinc/91/33/80/1368913380.db2.gz TVCPYHQERMQRAU-HZMVEIRTSA-N 2 1 328.460 2.141 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578690 1368913383 /nfs/dbraw/zinc/91/33/83/1368913383.db2.gz TVCPYHQERMQRAU-HZMVEIRTSA-N 2 1 328.460 2.141 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001365934395 1373778593 /nfs/dbraw/zinc/77/85/93/1373778593.db2.gz AROSAVPIXRXPAX-MOPGFXCFSA-N 2 1 342.487 2.225 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001365934395 1373778596 /nfs/dbraw/zinc/77/85/96/1373778596.db2.gz AROSAVPIXRXPAX-MOPGFXCFSA-N 2 1 342.487 2.225 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001377414836 1379221721 /nfs/dbraw/zinc/22/17/21/1379221721.db2.gz NXRIZOQOSDPPFN-MOPGFXCFSA-N 2 1 342.487 2.225 20 30 EEEDMP CC1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001392314260 1389971562 /nfs/dbraw/zinc/97/15/62/1389971562.db2.gz PUTGANDNZGFKLC-UHFFFAOYSA-N 2 1 342.487 2.180 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CCCC[NH+]1C ZINC001393627356 1390500913 /nfs/dbraw/zinc/50/09/13/1390500913.db2.gz NTNDSQZDJQRCEJ-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CN(CCC[NH+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001393627356 1390500916 /nfs/dbraw/zinc/50/09/16/1390500916.db2.gz NTNDSQZDJQRCEJ-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CN(CCC[NH+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001393627356 1390500919 /nfs/dbraw/zinc/50/09/19/1390500919.db2.gz NTNDSQZDJQRCEJ-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001752834160 1406461549 /nfs/dbraw/zinc/46/15/49/1406461549.db2.gz ORADHAWEKJVHJB-ZWKOTPCHSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001752834160 1406461555 /nfs/dbraw/zinc/46/15/55/1406461555.db2.gz ORADHAWEKJVHJB-ZWKOTPCHSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001752834160 1406461561 /nfs/dbraw/zinc/46/15/61/1406461561.db2.gz ORADHAWEKJVHJB-ZWKOTPCHSA-N 2 1 333.520 2.443 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001402394998 1397975029 /nfs/dbraw/zinc/97/50/29/1397975029.db2.gz SIQCFOGDKNCSTQ-OAHLLOKOSA-N 2 1 327.900 2.251 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC/C=C\CCC)C2)CC1 ZINC001754587188 1406933918 /nfs/dbraw/zinc/93/39/18/1406933918.db2.gz FEEAAIWQGIWZDS-FPLPWBNLSA-N 2 1 331.504 2.221 20 30 EEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001755161996 1407170461 /nfs/dbraw/zinc/17/04/61/1407170461.db2.gz PCWOUFUWRFROPM-GJZGRUSLSA-N 2 1 334.464 2.285 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001755161996 1407170464 /nfs/dbraw/zinc/17/04/64/1407170464.db2.gz PCWOUFUWRFROPM-GJZGRUSLSA-N 2 1 334.464 2.285 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1C ZINC001425876754 1401786745 /nfs/dbraw/zinc/78/67/45/1401786745.db2.gz FHZRANIWBZFCRP-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001576729765 1403600928 /nfs/dbraw/zinc/60/09/28/1403600928.db2.gz YDUKVBBLPCOKMX-JSGCOSHPSA-N 2 1 334.851 2.457 20 30 EEEDMP CC#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001755548194 1407622552 /nfs/dbraw/zinc/62/25/52/1407622552.db2.gz WGMCQMUPVJDXNZ-OALUTQOASA-N 2 1 327.472 2.189 20 30 EEEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001755573918 1407644743 /nfs/dbraw/zinc/64/47/43/1407644743.db2.gz VHMBCGMSIOMDRH-OALUTQOASA-N 2 1 327.472 2.139 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001755710934 1407765152 /nfs/dbraw/zinc/76/51/52/1407765152.db2.gz CDQZMBIJJVMJGP-RCCFBDPRSA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001755770235 1407831423 /nfs/dbraw/zinc/83/14/23/1407831423.db2.gz QJZDZDCXZFVODB-UONOGXRCSA-N 2 1 335.414 2.129 20 30 EEEDMP C[C@@]1(CNC(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000691560095 1410397414 /nfs/dbraw/zinc/39/74/14/1410397414.db2.gz JBWNIZWPZKKFTA-HKUYNNGSSA-N 2 1 328.460 2.036 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087296515 761513519 /nfs/dbraw/zinc/51/35/19/761513519.db2.gz ADOJDSFYNFTDSH-NXHRZFHOSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087296515 761513523 /nfs/dbraw/zinc/51/35/23/761513523.db2.gz ADOJDSFYNFTDSH-NXHRZFHOSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089560504 770356191 /nfs/dbraw/zinc/35/61/91/770356191.db2.gz ZMXMRCALBBWCLG-GJZGRUSLSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560504 770356204 /nfs/dbraw/zinc/35/62/04/770356204.db2.gz ZMXMRCALBBWCLG-GJZGRUSLSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560504 770356211 /nfs/dbraw/zinc/35/62/11/770356211.db2.gz ZMXMRCALBBWCLG-GJZGRUSLSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563709 770399117 /nfs/dbraw/zinc/39/91/17/770399117.db2.gz SCZCPMRLNYHYBP-HNNXBMFYSA-N 2 1 327.900 2.442 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028094354 777424778 /nfs/dbraw/zinc/42/47/78/777424778.db2.gz XYCFBVJLGWTSHB-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094354 777424780 /nfs/dbraw/zinc/42/47/80/777424780.db2.gz XYCFBVJLGWTSHB-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094354 777424784 /nfs/dbraw/zinc/42/47/84/777424784.db2.gz XYCFBVJLGWTSHB-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000981813459 778260394 /nfs/dbraw/zinc/26/03/94/778260394.db2.gz KMMBKDUXTDEICC-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813459 778260401 /nfs/dbraw/zinc/26/04/01/778260401.db2.gz KMMBKDUXTDEICC-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813459 778260407 /nfs/dbraw/zinc/26/04/07/778260407.db2.gz KMMBKDUXTDEICC-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@]2(C)C1 ZINC000982305169 779648998 /nfs/dbraw/zinc/64/89/98/779648998.db2.gz OUDKNVLVOAVWDJ-BGYRXZFFSA-N 2 1 343.515 2.056 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720443 779715014 /nfs/dbraw/zinc/71/50/14/779715014.db2.gz HOAWSGYFVBUZFE-SLFFLAALSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982374139 779915959 /nfs/dbraw/zinc/91/59/59/779915959.db2.gz NIARTNCSXGGNTI-KDURUIRLSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982374139 779915963 /nfs/dbraw/zinc/91/59/63/779915963.db2.gz NIARTNCSXGGNTI-KDURUIRLSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCCC2CCC2)CC1 ZINC001028333796 780785316 /nfs/dbraw/zinc/78/53/16/780785316.db2.gz RHAMVNYQLYHAQW-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946800760 783459811 /nfs/dbraw/zinc/45/98/11/783459811.db2.gz KDANSHKLAJQGHM-HDICACEKSA-N 2 1 342.487 2.200 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946800760 783459819 /nfs/dbraw/zinc/45/98/19/783459819.db2.gz KDANSHKLAJQGHM-HDICACEKSA-N 2 1 342.487 2.200 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184912 784021925 /nfs/dbraw/zinc/02/19/25/784021925.db2.gz PWRNQBFGJVYVCS-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184912 784021927 /nfs/dbraw/zinc/02/19/27/784021927.db2.gz PWRNQBFGJVYVCS-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035184912 784021931 /nfs/dbraw/zinc/02/19/31/784021931.db2.gz PWRNQBFGJVYVCS-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193600 784082277 /nfs/dbraw/zinc/08/22/77/784082277.db2.gz IGGHIDZOPQIWFP-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193600 784082282 /nfs/dbraw/zinc/08/22/82/784082282.db2.gz IGGHIDZOPQIWFP-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193600 784082284 /nfs/dbraw/zinc/08/22/84/784082284.db2.gz IGGHIDZOPQIWFP-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001035194948 784087036 /nfs/dbraw/zinc/08/70/36/784087036.db2.gz JWZBBUCKFZOLCZ-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001035194948 784087043 /nfs/dbraw/zinc/08/70/43/784087043.db2.gz JWZBBUCKFZOLCZ-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C[C@@H](C)CC)C2)CC1 ZINC001035194948 784087049 /nfs/dbraw/zinc/08/70/49/784087049.db2.gz JWZBBUCKFZOLCZ-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C[C@@H](C)CC)C2)CC1 ZINC001035194948 784087056 /nfs/dbraw/zinc/08/70/56/784087056.db2.gz JWZBBUCKFZOLCZ-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135861959 784653077 /nfs/dbraw/zinc/65/30/77/784653077.db2.gz ZQGNBZRHQDPEAR-GJZGRUSLSA-N 2 1 348.466 2.412 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135979027 784903800 /nfs/dbraw/zinc/90/38/00/784903800.db2.gz AYMYYLWGHCWHPK-CVEARBPZSA-N 2 1 330.476 2.273 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135977545 784927857 /nfs/dbraw/zinc/92/78/57/784927857.db2.gz VGSBEQUKPZDCEB-KBPBESRZSA-N 2 1 336.505 2.334 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCCCC2)C(C)(C)C1 ZINC000995924588 785824210 /nfs/dbraw/zinc/82/42/10/785824210.db2.gz QGSGBVMKNKQCDI-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCCCC2)C(C)(C)C1 ZINC000995924588 785824218 /nfs/dbraw/zinc/82/42/18/785824218.db2.gz QGSGBVMKNKQCDI-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995914877 785837464 /nfs/dbraw/zinc/83/74/64/785837464.db2.gz GEPDSQVPRKJNKY-ZIAGYGMSSA-N 2 1 336.867 2.340 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC000997146507 789098244 /nfs/dbraw/zinc/09/82/44/789098244.db2.gz BROCPWQBWVJFRN-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC000997146507 789098250 /nfs/dbraw/zinc/09/82/50/789098250.db2.gz BROCPWQBWVJFRN-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000923288905 789317578 /nfs/dbraw/zinc/31/75/78/789317578.db2.gz MHWZDYVZKNFIBR-RYQLBKOJSA-N 2 1 348.487 2.223 20 30 EEEDMP C=CCCN(C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844703932 789339107 /nfs/dbraw/zinc/33/91/07/789339107.db2.gz ZYYRTSBEZYVPDX-OALUTQOASA-N 2 1 327.472 2.432 20 30 EEEDMP C=CCC[N@@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844703932 789339118 /nfs/dbraw/zinc/33/91/18/789339118.db2.gz ZYYRTSBEZYVPDX-OALUTQOASA-N 2 1 327.472 2.432 20 30 EEEDMP C=CCC[N@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844703932 789339126 /nfs/dbraw/zinc/33/91/26/789339126.db2.gz ZYYRTSBEZYVPDX-OALUTQOASA-N 2 1 327.472 2.432 20 30 EEEDMP C=CCC[NH+](C)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844703932 789339132 /nfs/dbraw/zinc/33/91/32/789339132.db2.gz ZYYRTSBEZYVPDX-OALUTQOASA-N 2 1 327.472 2.432 20 30 EEEDMP C=CCC[NH+](C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844703932 789339141 /nfs/dbraw/zinc/33/91/41/789339141.db2.gz ZYYRTSBEZYVPDX-OALUTQOASA-N 2 1 327.472 2.432 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946902786 789585979 /nfs/dbraw/zinc/58/59/79/789585979.db2.gz ZASIIOLFHLOVLE-MKXGPGLRSA-N 2 1 331.504 2.053 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001146593168 791363640 /nfs/dbraw/zinc/36/36/40/791363640.db2.gz OHKUUJCKXLMDDT-GJZGRUSLSA-N 2 1 348.466 2.410 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC(C)(C)C3)[C@@H]2C)CC1 ZINC001089059385 792021646 /nfs/dbraw/zinc/02/16/46/792021646.db2.gz JYOVYUKMPKVQMJ-APWZRJJASA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738435 792601203 /nfs/dbraw/zinc/60/12/03/792601203.db2.gz XTYFRPNDROMKSV-QFUCXCTJSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738435 792601208 /nfs/dbraw/zinc/60/12/08/792601208.db2.gz XTYFRPNDROMKSV-QFUCXCTJSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738435 792601216 /nfs/dbraw/zinc/60/12/16/792601216.db2.gz XTYFRPNDROMKSV-QFUCXCTJSA-N 2 1 343.515 2.197 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000998993503 793663612 /nfs/dbraw/zinc/66/36/12/793663612.db2.gz FLCLISASYYNGTC-CTWPCTMYSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC000999393131 794375757 /nfs/dbraw/zinc/37/57/57/794375757.db2.gz WHFACJPVSYXBGU-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC000999393131 794375766 /nfs/dbraw/zinc/37/57/66/794375766.db2.gz WHFACJPVSYXBGU-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992503247 794431297 /nfs/dbraw/zinc/43/12/97/794431297.db2.gz DSNQVMVMYMLKJC-CTNGQTDRSA-N 2 1 339.483 2.498 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106132647 794495901 /nfs/dbraw/zinc/49/59/01/794495901.db2.gz BHHOFOWQZNXCHP-CEXWTWQISA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089944091 794995730 /nfs/dbraw/zinc/99/57/30/794995730.db2.gz YAHWWYLBCGHCFC-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089944091 794995735 /nfs/dbraw/zinc/99/57/35/794995735.db2.gz YAHWWYLBCGHCFC-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944091 794995739 /nfs/dbraw/zinc/99/57/39/794995739.db2.gz YAHWWYLBCGHCFC-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944091 794995743 /nfs/dbraw/zinc/99/57/43/794995743.db2.gz YAHWWYLBCGHCFC-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093380252 795117954 /nfs/dbraw/zinc/11/79/54/795117954.db2.gz VBYNPAFZIWTBHX-OALUTQOASA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001093381094 795121122 /nfs/dbraw/zinc/12/11/22/795121122.db2.gz GOJCLIYYKHQTAC-XLIONFOSSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001093381094 795121126 /nfs/dbraw/zinc/12/11/26/795121126.db2.gz GOJCLIYYKHQTAC-XLIONFOSSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001093381094 795121134 /nfs/dbraw/zinc/12/11/34/795121134.db2.gz GOJCLIYYKHQTAC-XLIONFOSSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106211188 795234579 /nfs/dbraw/zinc/23/45/79/795234579.db2.gz UWIMJGIIHAJFGC-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848613 795317687 /nfs/dbraw/zinc/31/76/87/795317687.db2.gz DJMYOXHZFXYYMZ-FVQBIDKESA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079848613 795317692 /nfs/dbraw/zinc/31/76/92/795317692.db2.gz DJMYOXHZFXYYMZ-FVQBIDKESA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079848613 795317699 /nfs/dbraw/zinc/31/76/99/795317699.db2.gz DJMYOXHZFXYYMZ-FVQBIDKESA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079848613 795317706 /nfs/dbraw/zinc/31/77/06/795317706.db2.gz DJMYOXHZFXYYMZ-FVQBIDKESA-N 2 1 327.900 2.438 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)CCC=C)CC1 ZINC001110147133 795383806 /nfs/dbraw/zinc/38/38/06/795383806.db2.gz MEUZXUMRVLYLSS-LMCOJAPRSA-N 2 1 343.515 2.408 20 30 EEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089959844 795610645 /nfs/dbraw/zinc/61/06/45/795610645.db2.gz RXFGWCBAQKJLBE-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089959844 795610650 /nfs/dbraw/zinc/61/06/50/795610650.db2.gz RXFGWCBAQKJLBE-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089959844 795610652 /nfs/dbraw/zinc/61/06/52/795610652.db2.gz RXFGWCBAQKJLBE-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CC2)CC1 ZINC001000262598 795706670 /nfs/dbraw/zinc/70/66/70/795706670.db2.gz ZIFSRQPVYXRYGF-MRXNPFEDSA-N 2 1 342.487 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001080454567 796048847 /nfs/dbraw/zinc/04/88/47/796048847.db2.gz QWTVLAFPADIWRG-CRAIPNDOSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001080454567 796048850 /nfs/dbraw/zinc/04/88/50/796048850.db2.gz QWTVLAFPADIWRG-CRAIPNDOSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666861 796073418 /nfs/dbraw/zinc/07/34/18/796073418.db2.gz XKOPVOGYPZMCLD-IIDMSEBBSA-N 2 1 325.472 2.069 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC=C(C)C)C2)CC1 ZINC001036902851 796441334 /nfs/dbraw/zinc/44/13/34/796441334.db2.gz QVVCCLUKIFZIDQ-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccccc1 ZINC001081124562 796642495 /nfs/dbraw/zinc/64/24/95/796642495.db2.gz LSPHIYILBDEHQO-XUVXKRRUSA-N 2 1 339.483 2.078 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC000993826448 797057227 /nfs/dbraw/zinc/05/72/27/797057227.db2.gz QCQAFYWIWKHAET-ZBFHGGJFSA-N 2 1 332.448 2.039 20 30 EEEDMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172971131 797176185 /nfs/dbraw/zinc/17/61/85/797176185.db2.gz MJQRUFHWCNHULS-KGLIPLIRSA-N 2 1 333.436 2.157 20 30 EEEDMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426434 797447698 /nfs/dbraw/zinc/44/76/98/797447698.db2.gz ZAHPXIMVVJANKF-IBGZPJMESA-N 2 1 340.471 2.237 20 30 EEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001175703926 798216296 /nfs/dbraw/zinc/21/62/96/798216296.db2.gz NGWOYOVNBADENI-GOSISDBHSA-N 2 1 339.524 2.330 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084850009 798503888 /nfs/dbraw/zinc/50/38/88/798503888.db2.gz FBIQEEJOHMRDPF-RTBURBONSA-N 2 1 327.472 2.471 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084854036 798506598 /nfs/dbraw/zinc/50/65/98/798506598.db2.gz VQSPVCIUPAISNK-QRVBRYPASA-N 2 1 327.472 2.398 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084854036 798506600 /nfs/dbraw/zinc/50/66/00/798506600.db2.gz VQSPVCIUPAISNK-QRVBRYPASA-N 2 1 327.472 2.398 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176845445 798618522 /nfs/dbraw/zinc/61/85/22/798618522.db2.gz TYLYSXQXFVMBFW-IYBDPMFKSA-N 2 1 328.460 2.027 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001176972022 798665964 /nfs/dbraw/zinc/66/59/64/798665964.db2.gz LAEHMMBZHQDZLN-UHFFFAOYSA-N 2 1 335.879 2.128 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001177415881 798933956 /nfs/dbraw/zinc/93/39/56/798933956.db2.gz MRHXHRHELOETLP-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(Br)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045370 799230219 /nfs/dbraw/zinc/23/02/19/799230219.db2.gz JTLQGVFAPLXNGD-AWEZNQCLSA-N 2 1 346.313 2.255 20 30 EEEDMP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003158476 799317197 /nfs/dbraw/zinc/31/71/97/799317197.db2.gz IRUIVKIHGVPFBC-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003158476 799317205 /nfs/dbraw/zinc/31/72/05/799317205.db2.gz IRUIVKIHGVPFBC-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001178693023 799587655 /nfs/dbraw/zinc/58/76/55/799587655.db2.gz HSWIPMQBIXMXMG-GOSISDBHSA-N 2 1 337.508 2.082 20 30 EEEDMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001183772682 801729057 /nfs/dbraw/zinc/72/90/57/801729057.db2.gz JQIBZVDBMCKUBD-QGZVFWFLSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001183772682 801729062 /nfs/dbraw/zinc/72/90/62/801729062.db2.gz JQIBZVDBMCKUBD-QGZVFWFLSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCCCC2)CC1 ZINC001085987333 801841899 /nfs/dbraw/zinc/84/18/99/801841899.db2.gz ZVWKCURIKSJSHC-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184578219 802079803 /nfs/dbraw/zinc/07/98/03/802079803.db2.gz SJHYEZJNLFAANG-DZGCQCFKSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001184681955 802149706 /nfs/dbraw/zinc/14/97/06/802149706.db2.gz ACUDFWDNBLEHAL-IRXDYDNUSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621269 802262651 /nfs/dbraw/zinc/26/26/51/802262651.db2.gz ROUSBFQYZWJZCT-ZCNNSNEGSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621269 802262659 /nfs/dbraw/zinc/26/26/59/802262659.db2.gz ROUSBFQYZWJZCT-ZCNNSNEGSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621269 802262667 /nfs/dbraw/zinc/26/26/67/802262667.db2.gz ROUSBFQYZWJZCT-ZCNNSNEGSA-N 2 1 345.531 2.158 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([C@H]3CCCN3CC#N)CC2)C1 ZINC001004529214 802323595 /nfs/dbraw/zinc/32/35/95/802323595.db2.gz RCIJMZOYIONMFK-RTBURBONSA-N 2 1 346.519 2.335 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001086236289 802564702 /nfs/dbraw/zinc/56/47/02/802564702.db2.gz FGUBTHHMVJPJKO-OTVXOJSOSA-N 2 1 345.834 2.118 20 30 EEEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169124888 803623381 /nfs/dbraw/zinc/62/33/81/803623381.db2.gz GGRNTAWUHUHADE-FVQHAEBGSA-N 2 1 333.476 2.332 20 30 EEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001169147048 803637332 /nfs/dbraw/zinc/63/73/32/803637332.db2.gz RWICOINIAUNJIX-BCDXTJNWSA-N 2 1 325.460 2.091 20 30 EEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001169147048 803637336 /nfs/dbraw/zinc/63/73/36/803637336.db2.gz RWICOINIAUNJIX-BCDXTJNWSA-N 2 1 325.460 2.091 20 30 EEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001169147048 803637339 /nfs/dbraw/zinc/63/73/39/803637339.db2.gz RWICOINIAUNJIX-BCDXTJNWSA-N 2 1 325.460 2.091 20 30 EEEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001109446781 805479232 /nfs/dbraw/zinc/47/92/32/805479232.db2.gz ZBSVCCROZUCOIU-HCXYKTFWSA-N 2 1 340.471 2.120 20 30 EEEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001109446781 805479235 /nfs/dbraw/zinc/47/92/35/805479235.db2.gz ZBSVCCROZUCOIU-HCXYKTFWSA-N 2 1 340.471 2.120 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620208 810648120 /nfs/dbraw/zinc/64/81/20/810648120.db2.gz CTKNANVGFQQURA-RBUKOAKNSA-N 2 1 339.483 2.243 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001439808504 1092771549 /nfs/dbraw/zinc/77/15/49/1092771549.db2.gz RPXOAFQDHVPFIA-UHFFFAOYSA-N 2 1 348.516 2.432 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001447302314 1102407417 /nfs/dbraw/zinc/40/74/17/1102407417.db2.gz SKPJBCJKSYHXEF-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)Cc2ccc(C#N)cc2)CC1 ZINC001506965349 1115015615 /nfs/dbraw/zinc/01/56/15/1115015615.db2.gz HYDUEBHOIJDODF-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001506965349 1115015621 /nfs/dbraw/zinc/01/56/21/1115015621.db2.gz HYDUEBHOIJDODF-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001506965349 1115015625 /nfs/dbraw/zinc/01/56/25/1115015625.db2.gz HYDUEBHOIJDODF-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000268621293 252076017 /nfs/dbraw/zinc/07/60/17/252076017.db2.gz YIXDXPJGSONTRL-FQEVSTJZSA-N 2 1 339.483 2.065 20 30 EEEDMP CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368660146 166099842 /nfs/dbraw/zinc/09/98/42/166099842.db2.gz BNVGKGJWRFBHMV-GOSISDBHSA-N 2 1 341.459 2.190 20 30 EEEDMP CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368660146 166099843 /nfs/dbraw/zinc/09/98/43/166099843.db2.gz BNVGKGJWRFBHMV-GOSISDBHSA-N 2 1 341.459 2.190 20 30 EEEDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000281663211 266149137 /nfs/dbraw/zinc/14/91/37/266149137.db2.gz LACGYGJWTUSMJU-UHFFFAOYSA-N 2 1 330.476 2.074 20 30 EEEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000328784015 465127790 /nfs/dbraw/zinc/12/77/90/465127790.db2.gz GQSIHDHPZZBRFZ-QAPCUYQASA-N 2 1 347.507 2.405 20 30 EEEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000264091712 464281957 /nfs/dbraw/zinc/28/19/57/464281957.db2.gz LEWOXXBAOADSKO-YJBOKZPZSA-N 2 1 348.491 2.161 20 30 EEEDMP C[N@H+](CCN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)Cc1ccccc1 ZINC000292979850 464379356 /nfs/dbraw/zinc/37/93/56/464379356.db2.gz FEPCCAJXVWIGGK-VQTJNVASSA-N 2 1 326.488 2.428 20 30 EEEDMP C[N@@H+](CCN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)Cc1ccccc1 ZINC000292979850 464379359 /nfs/dbraw/zinc/37/93/59/464379359.db2.gz FEPCCAJXVWIGGK-VQTJNVASSA-N 2 1 326.488 2.428 20 30 EEEDMP CN1CC[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000265433731 464557511 /nfs/dbraw/zinc/55/75/11/464557511.db2.gz NQSZFUWKXVSUNK-UHFFFAOYSA-N 2 1 330.451 2.157 20 30 EEEDMP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCCCC1 ZINC000190536516 464670026 /nfs/dbraw/zinc/67/00/26/464670026.db2.gz VTEVYWBPXJJREJ-GOSISDBHSA-N 2 1 330.476 2.078 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000247415495 464678300 /nfs/dbraw/zinc/67/83/00/464678300.db2.gz ZXWRKAHPUVDVFN-PKOBYXMFSA-N 2 1 332.488 2.428 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000247415495 464678308 /nfs/dbraw/zinc/67/83/08/464678308.db2.gz ZXWRKAHPUVDVFN-PKOBYXMFSA-N 2 1 332.488 2.428 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000247415495 464678312 /nfs/dbraw/zinc/67/83/12/464678312.db2.gz ZXWRKAHPUVDVFN-PKOBYXMFSA-N 2 1 332.488 2.428 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000247415495 464678315 /nfs/dbraw/zinc/67/83/15/464678315.db2.gz ZXWRKAHPUVDVFN-PKOBYXMFSA-N 2 1 332.488 2.428 20 30 EEEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1OC ZINC000268112529 464952344 /nfs/dbraw/zinc/95/23/44/464952344.db2.gz ZNYLRJVKQBZUIM-CQSZACIVSA-N 2 1 334.464 2.408 20 30 EEEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000352429761 465527568 /nfs/dbraw/zinc/52/75/68/465527568.db2.gz BXARFBQXSRGOLQ-AABGKKOBSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000352429761 465527573 /nfs/dbraw/zinc/52/75/73/465527573.db2.gz BXARFBQXSRGOLQ-AABGKKOBSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000352429761 465527578 /nfs/dbraw/zinc/52/75/78/465527578.db2.gz BXARFBQXSRGOLQ-AABGKKOBSA-N 2 1 339.483 2.227 20 30 EEEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC000330174454 465557935 /nfs/dbraw/zinc/55/79/35/465557935.db2.gz IELBJABTJCYXFC-CABCVRRESA-N 2 1 333.480 2.212 20 30 EEEDMP COc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C#N ZINC000371425387 465788968 /nfs/dbraw/zinc/78/89/68/465788968.db2.gz SGEQWIDAKQWLLD-IBGZPJMESA-N 2 1 342.487 2.167 20 30 EEEDMP C=CCC1(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCC1 ZINC000449602400 467669023 /nfs/dbraw/zinc/66/90/23/467669023.db2.gz DDIINUOZOLARCA-UHFFFAOYSA-N 2 1 329.492 2.455 20 30 EEEDMP CCN1CCC([N@@H+]2CCCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000519765967 468207165 /nfs/dbraw/zinc/20/71/65/468207165.db2.gz YJPSICSKXGOPIA-UHFFFAOYSA-N 2 1 340.471 2.190 20 30 EEEDMP CCN1CCC([N@H+]2CCCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000519765967 468207169 /nfs/dbraw/zinc/20/71/69/468207169.db2.gz YJPSICSKXGOPIA-UHFFFAOYSA-N 2 1 340.471 2.190 20 30 EEEDMP CN(c1ccccc1C[N@H+]1CC[C@](O)(CC#N)C1)C1CC[NH+](C)CC1 ZINC000592522131 468719262 /nfs/dbraw/zinc/71/92/62/468719262.db2.gz IFJCIRUNCKJUOA-HXUWFJFHSA-N 2 1 342.487 2.067 20 30 EEEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969153999 674639751 /nfs/dbraw/zinc/63/97/51/674639751.db2.gz UZIXCTRCDAMHKY-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969153999 674639754 /nfs/dbraw/zinc/63/97/54/674639754.db2.gz UZIXCTRCDAMHKY-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153999 674639756 /nfs/dbraw/zinc/63/97/56/674639756.db2.gz UZIXCTRCDAMHKY-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153999 674639760 /nfs/dbraw/zinc/63/97/60/674639760.db2.gz UZIXCTRCDAMHKY-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C)C1 ZINC000969864371 675265496 /nfs/dbraw/zinc/26/54/96/675265496.db2.gz BESXWNLSPWPXNP-PXNSSMCTSA-N 2 1 339.483 2.029 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C)C1 ZINC000969864371 675265498 /nfs/dbraw/zinc/26/54/98/675265498.db2.gz BESXWNLSPWPXNP-PXNSSMCTSA-N 2 1 339.483 2.029 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620945 676274937 /nfs/dbraw/zinc/27/49/37/676274937.db2.gz YFJPYAXGXUBRHE-CRAIPNDOSA-N 2 1 346.475 2.239 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620945 676274938 /nfs/dbraw/zinc/27/49/38/676274938.db2.gz YFJPYAXGXUBRHE-CRAIPNDOSA-N 2 1 346.475 2.239 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637005 676292540 /nfs/dbraw/zinc/29/25/40/676292540.db2.gz VVIPSELAWKLMHS-VQIMIIECSA-N 2 1 336.439 2.284 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735418 676393686 /nfs/dbraw/zinc/39/36/86/676393686.db2.gz FCEMSVULRJJGQL-HZPDHXFCSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735418 676393688 /nfs/dbraw/zinc/39/36/88/676393688.db2.gz FCEMSVULRJJGQL-HZPDHXFCSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021740985 676399846 /nfs/dbraw/zinc/39/98/46/676399846.db2.gz XVFPGAZSTOOCHI-UXHICEINSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC000971704788 676748386 /nfs/dbraw/zinc/74/83/86/676748386.db2.gz XNVMOBDSKUWYNR-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC000971704788 676748389 /nfs/dbraw/zinc/74/83/89/676748389.db2.gz XNVMOBDSKUWYNR-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ccc(C)cc2)C1 ZINC000971704788 676748391 /nfs/dbraw/zinc/74/83/91/676748391.db2.gz XNVMOBDSKUWYNR-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ccc(C)cc2)C1 ZINC000971704788 676748394 /nfs/dbraw/zinc/74/83/94/676748394.db2.gz XNVMOBDSKUWYNR-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001023421679 679301113 /nfs/dbraw/zinc/30/11/13/679301113.db2.gz GYRCOWTVVZSSLX-MOPGFXCFSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(CC)CC)C1 ZINC001023421679 679301114 /nfs/dbraw/zinc/30/11/14/679301114.db2.gz GYRCOWTVVZSSLX-MOPGFXCFSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001023421679 679301115 /nfs/dbraw/zinc/30/11/15/679301115.db2.gz GYRCOWTVVZSSLX-MOPGFXCFSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(CC)CC)C1 ZINC001023421679 679301116 /nfs/dbraw/zinc/30/11/16/679301116.db2.gz GYRCOWTVVZSSLX-MOPGFXCFSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(CC)CC)C1 ZINC001023421679 679301117 /nfs/dbraw/zinc/30/11/17/679301117.db2.gz GYRCOWTVVZSSLX-MOPGFXCFSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696400 679486879 /nfs/dbraw/zinc/48/68/79/679486879.db2.gz MFUQEFKOWFGRAN-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023696400 679486881 /nfs/dbraw/zinc/48/68/81/679486881.db2.gz MFUQEFKOWFGRAN-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023696400 679486883 /nfs/dbraw/zinc/48/68/83/679486883.db2.gz MFUQEFKOWFGRAN-OALUTQOASA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001026894210 685261002 /nfs/dbraw/zinc/26/10/02/685261002.db2.gz XTKIZBYWOMRNPF-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001026894210 685261007 /nfs/dbraw/zinc/26/10/07/685261007.db2.gz XTKIZBYWOMRNPF-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP CCC[C@]1(C)CCCN(C(NC[C@H]2C[N@@H+](C)CCN2C)=[NH+]CC)C1 ZINC000261795890 681396624 /nfs/dbraw/zinc/39/66/24/681396624.db2.gz GNGRDLTUETZPON-PKOBYXMFSA-N 2 1 337.556 2.100 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001024811864 681463742 /nfs/dbraw/zinc/46/37/42/681463742.db2.gz CFYWSLCHWSSLFO-SJLPKXTDSA-N 2 1 337.483 2.050 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642585 681951097 /nfs/dbraw/zinc/95/10/97/681951097.db2.gz RRIHLZPJMNUALH-JYAXBFRTSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982642585 681951100 /nfs/dbraw/zinc/95/11/00/681951100.db2.gz RRIHLZPJMNUALH-JYAXBFRTSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982642585 681951103 /nfs/dbraw/zinc/95/11/03/681951103.db2.gz RRIHLZPJMNUALH-JYAXBFRTSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025245057 682324183 /nfs/dbraw/zinc/32/41/83/682324183.db2.gz ZJIGHCILSVGNON-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP CC[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261994913 682760403 /nfs/dbraw/zinc/76/04/03/682760403.db2.gz SEXPASMBODGTIZ-IAQYHMDHSA-N 2 1 335.521 2.298 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461664 682827765 /nfs/dbraw/zinc/82/77/65/682827765.db2.gz WXUXZHAWWUYXOY-HUUCEWRRSA-N 2 1 334.464 2.143 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461664 682827768 /nfs/dbraw/zinc/82/77/68/682827768.db2.gz WXUXZHAWWUYXOY-HUUCEWRRSA-N 2 1 334.464 2.143 20 30 EEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647026 693746844 /nfs/dbraw/zinc/74/68/44/693746844.db2.gz KPTZARIDCLZDMG-ICSRJNTNSA-N 2 1 327.472 2.019 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001040774482 684025355 /nfs/dbraw/zinc/02/53/55/684025355.db2.gz NBYVYCGZWWMNJA-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000985469491 686957658 /nfs/dbraw/zinc/95/76/58/686957658.db2.gz FFYCSROIXGPXEY-IBGZPJMESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000985469491 686957660 /nfs/dbraw/zinc/95/76/60/686957660.db2.gz FFYCSROIXGPXEY-IBGZPJMESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000985469491 686957662 /nfs/dbraw/zinc/95/76/62/686957662.db2.gz FFYCSROIXGPXEY-IBGZPJMESA-N 2 1 349.519 2.129 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](OC)c1ccccc1Cl ZINC000305062764 687038789 /nfs/dbraw/zinc/03/87/89/687038789.db2.gz KGKACEIZHKKGQL-BBRMVZONSA-N 2 1 338.883 2.416 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3cnc(C)n3C2)CC1 ZINC000985602602 687298559 /nfs/dbraw/zinc/29/85/59/687298559.db2.gz GDXITZBZSIOSDO-MRXNPFEDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000985602602 687298563 /nfs/dbraw/zinc/29/85/63/687298563.db2.gz GDXITZBZSIOSDO-MRXNPFEDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000985602602 687298571 /nfs/dbraw/zinc/29/85/71/687298571.db2.gz GDXITZBZSIOSDO-MRXNPFEDSA-N 2 1 330.476 2.253 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001027461713 692202731 /nfs/dbraw/zinc/20/27/31/692202731.db2.gz NWHHXCLKWZSBRC-RBUKOAKNSA-N 2 1 342.487 2.321 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977646018 692874886 /nfs/dbraw/zinc/87/48/86/692874886.db2.gz VPCBECBPTDRVOK-SFHVURJKSA-N 2 1 327.472 2.212 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001089885599 1192684974 /nfs/dbraw/zinc/68/49/74/1192684974.db2.gz IAKGZLMEPBJYEU-MUGJNUQGSA-N 2 1 345.531 2.462 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001482693569 1187660757 /nfs/dbraw/zinc/66/07/57/1187660757.db2.gz LDIFICZKAXLTDO-RTBURBONSA-N 2 1 342.487 2.275 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105574844 1188189038 /nfs/dbraw/zinc/18/90/38/1188189038.db2.gz JUEHDOYZNGSKGH-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105571836 1188192717 /nfs/dbraw/zinc/19/27/17/1188192717.db2.gz ABZTWELFHOLMJG-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960102 1195556760 /nfs/dbraw/zinc/55/67/60/1195556760.db2.gz YAVIZISHLNKJFB-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960102 1195556763 /nfs/dbraw/zinc/55/67/63/1195556763.db2.gz YAVIZISHLNKJFB-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001005495419 1195615002 /nfs/dbraw/zinc/61/50/02/1195615002.db2.gz BNJBYKOHQLZHIV-LJQANCHMSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248902 1195982573 /nfs/dbraw/zinc/98/25/73/1195982573.db2.gz HEWVHHVJRSHNAM-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248902 1195982577 /nfs/dbraw/zinc/98/25/77/1195982577.db2.gz HEWVHHVJRSHNAM-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248902 1195982580 /nfs/dbraw/zinc/98/25/80/1195982580.db2.gz HEWVHHVJRSHNAM-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001034537806 1196359186 /nfs/dbraw/zinc/35/91/86/1196359186.db2.gz DLKDACXMBXTANU-MSOLQXFVSA-N 2 1 337.483 2.050 20 30 EEEDMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001410393535 1197794773 /nfs/dbraw/zinc/79/47/73/1197794773.db2.gz VGVFVRJVZLBFAK-CYBMUJFWSA-N 2 1 334.489 2.041 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086721322 1199504430 /nfs/dbraw/zinc/50/44/30/1199504430.db2.gz SGRLHTZSBNUDNI-UHOSZYNNSA-N 2 1 345.531 2.395 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086721322 1199504436 /nfs/dbraw/zinc/50/44/36/1199504436.db2.gz SGRLHTZSBNUDNI-UHOSZYNNSA-N 2 1 345.531 2.395 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132368994 1199622136 /nfs/dbraw/zinc/62/21/36/1199622136.db2.gz SFVGKIBCOFZTHJ-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132368994 1199622139 /nfs/dbraw/zinc/62/21/39/1199622139.db2.gz SFVGKIBCOFZTHJ-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@H+](Cc3cccc4c[nH+]cn43)CC2)C1=O ZINC001274111444 1204378396 /nfs/dbraw/zinc/37/83/96/1204378396.db2.gz ZPUFITZUMBGZCR-HXUWFJFHSA-N 2 1 336.439 2.172 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@@H+](Cc3cccc4c[nH+]cn43)CC2)C1=O ZINC001274111444 1204378399 /nfs/dbraw/zinc/37/83/99/1204378399.db2.gz ZPUFITZUMBGZCR-HXUWFJFHSA-N 2 1 336.439 2.172 20 30 EEEDMP N#Cc1cccc(CN2CCC([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)c1 ZINC000925701855 1206144858 /nfs/dbraw/zinc/14/48/58/1206144858.db2.gz HDCKWXFAKHTYLU-SQEGATDGSA-N 2 1 336.483 2.109 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947780106 1208713906 /nfs/dbraw/zinc/71/39/06/1208713906.db2.gz VSKNKZTUKQQPGW-ZBFHGGJFSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947780106 1208713905 /nfs/dbraw/zinc/71/39/05/1208713905.db2.gz VSKNKZTUKQQPGW-ZBFHGGJFSA-N 2 1 327.900 2.440 20 30 EEEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000190537888 1209907032 /nfs/dbraw/zinc/90/70/32/1209907032.db2.gz RTOBWJWXLNUXOU-HKUYNNGSSA-N 2 1 344.503 2.324 20 30 EEEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])NCC3CCC3)cc2)CC1 ZINC000303877536 1213917643 /nfs/dbraw/zinc/91/76/43/1213917643.db2.gz FLPLPBCYRPEXOE-UHFFFAOYSA-N 2 1 343.519 2.029 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603433 1215248296 /nfs/dbraw/zinc/24/82/96/1215248296.db2.gz SDPCVGYLYOKEMR-QZTJIDSGSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000960268768 1216460967 /nfs/dbraw/zinc/46/09/67/1216460967.db2.gz VNZMRAXTTBKCGK-RTBURBONSA-N 2 1 339.483 2.256 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199644 1217085161 /nfs/dbraw/zinc/08/51/61/1217085161.db2.gz LARFNRJVJBQIJD-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961227298 1217098222 /nfs/dbraw/zinc/09/82/22/1217098222.db2.gz DZGMCQGWBDGYKN-IRXDYDNUSA-N 2 1 343.471 2.149 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961401691 1217176082 /nfs/dbraw/zinc/17/60/82/1217176082.db2.gz NNLYVJRZCMLIOZ-FQEVSTJZSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961432263 1217187855 /nfs/dbraw/zinc/18/78/55/1217187855.db2.gz QPSWDTVIWCZVJQ-SFHVURJKSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963346154 1217540250 /nfs/dbraw/zinc/54/02/50/1217540250.db2.gz KFZNHWJRPQJADM-ZWKOTPCHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358172 1217552796 /nfs/dbraw/zinc/55/27/96/1217552796.db2.gz OUQZDDPLYXEOAB-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000962308112 1217605749 /nfs/dbraw/zinc/60/57/49/1217605749.db2.gz ZJTOSYBPWCNTDW-MNNVXMFVSA-N 2 1 340.471 2.027 20 30 EEEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014630112 1226859699 /nfs/dbraw/zinc/85/96/99/1226859699.db2.gz MNLNZCAGLXCZJE-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014630112 1226859705 /nfs/dbraw/zinc/85/97/05/1226859705.db2.gz MNLNZCAGLXCZJE-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001014630112 1226859712 /nfs/dbraw/zinc/85/97/12/1226859712.db2.gz MNLNZCAGLXCZJE-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001014630112 1226859717 /nfs/dbraw/zinc/85/97/17/1226859717.db2.gz MNLNZCAGLXCZJE-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618964 1227576474 /nfs/dbraw/zinc/57/64/74/1227576474.db2.gz WVUPBOYYZNAEQR-OTWHNJEPSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001017618964 1227576477 /nfs/dbraw/zinc/57/64/77/1227576477.db2.gz WVUPBOYYZNAEQR-OTWHNJEPSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017618964 1227576480 /nfs/dbraw/zinc/57/64/80/1227576480.db2.gz WVUPBOYYZNAEQR-OTWHNJEPSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017618964 1227576484 /nfs/dbraw/zinc/57/64/84/1227576484.db2.gz WVUPBOYYZNAEQR-OTWHNJEPSA-N 2 1 329.488 2.092 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001017944442 1227902643 /nfs/dbraw/zinc/90/26/43/1227902643.db2.gz LGEGBVWACYHGMB-JTDSTZFVSA-N 2 1 337.483 2.450 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001017944442 1227902646 /nfs/dbraw/zinc/90/26/46/1227902646.db2.gz LGEGBVWACYHGMB-JTDSTZFVSA-N 2 1 337.483 2.450 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001017944442 1227902649 /nfs/dbraw/zinc/90/26/49/1227902649.db2.gz LGEGBVWACYHGMB-JTDSTZFVSA-N 2 1 337.483 2.450 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001017944442 1227902657 /nfs/dbraw/zinc/90/26/57/1227902657.db2.gz LGEGBVWACYHGMB-JTDSTZFVSA-N 2 1 337.483 2.450 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001019820490 1229363223 /nfs/dbraw/zinc/36/32/23/1229363223.db2.gz MCABXSXXWYNJTP-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224913 1230456462 /nfs/dbraw/zinc/45/64/62/1230456462.db2.gz KSMMDXBAURBPJL-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040207380 1231103339 /nfs/dbraw/zinc/10/33/39/1231103339.db2.gz FPVOCXXFDBERSP-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040272908 1231144070 /nfs/dbraw/zinc/14/40/70/1231144070.db2.gz ACIUHBUVTBJLLV-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC=C)C3)CC1 ZINC001040541575 1231283411 /nfs/dbraw/zinc/28/34/11/1231283411.db2.gz BRWCAOIJDJCEAW-NRFANRHFSA-N 2 1 343.515 2.222 20 30 EEEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546316 1231286620 /nfs/dbraw/zinc/28/66/20/1231286620.db2.gz CFXMMUAXBJNOPY-FPOVZHCZSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546316 1231286622 /nfs/dbraw/zinc/28/66/22/1231286622.db2.gz CFXMMUAXBJNOPY-FPOVZHCZSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699989 1231340340 /nfs/dbraw/zinc/34/03/40/1231340340.db2.gz FYVUAVHVFOQPDM-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(=C)C)CC2 ZINC001040731862 1231351429 /nfs/dbraw/zinc/35/14/29/1231351429.db2.gz RPNIBTYQKFLJLE-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(=C)C)CC2 ZINC001040731862 1231351432 /nfs/dbraw/zinc/35/14/32/1231351432.db2.gz RPNIBTYQKFLJLE-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)CC1 ZINC001040745286 1231355887 /nfs/dbraw/zinc/35/58/87/1231355887.db2.gz KWXKIXWJTXPQIN-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040875351 1231392967 /nfs/dbraw/zinc/39/29/67/1231392967.db2.gz ZNFVGHZZQDXSSS-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285151 1231494472 /nfs/dbraw/zinc/49/44/72/1231494472.db2.gz AZMBABZWFLDSPJ-UYAOXDASSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4nccn43)C2)C1 ZINC001041356630 1231518217 /nfs/dbraw/zinc/51/82/17/1231518217.db2.gz AEGRTLYGWWOWBG-LPHOPBHVSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041356630 1231518219 /nfs/dbraw/zinc/51/82/19/1231518219.db2.gz AEGRTLYGWWOWBG-LPHOPBHVSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041356630 1231518221 /nfs/dbraw/zinc/51/82/21/1231518221.db2.gz AEGRTLYGWWOWBG-LPHOPBHVSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778996 1231690359 /nfs/dbraw/zinc/69/03/59/1231690359.db2.gz JRPIARZTNIQNQS-LEWJYISDSA-N 2 1 339.483 2.021 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CCC4CC4)C3)C2)CC1 ZINC001041845393 1231728782 /nfs/dbraw/zinc/72/87/82/1231728782.db2.gz XULRWQMJDYYTOV-OAQYLSRUSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042123436 1231903990 /nfs/dbraw/zinc/90/39/90/1231903990.db2.gz SEOICNJRJCAKOW-APWZRJJASA-N 2 1 336.439 2.202 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042316737 1232024153 /nfs/dbraw/zinc/02/41/53/1232024153.db2.gz RTGKNPVBOXMZCV-YJBOKZPZSA-N 2 1 328.460 2.260 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042316737 1232024155 /nfs/dbraw/zinc/02/41/55/1232024155.db2.gz RTGKNPVBOXMZCV-YJBOKZPZSA-N 2 1 328.460 2.260 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045957830 1234230478 /nfs/dbraw/zinc/23/04/78/1234230478.db2.gz GKOZYODKMDYZNL-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577472 1234957130 /nfs/dbraw/zinc/95/71/30/1234957130.db2.gz YGVDVBDAXCMWNP-LPHOPBHVSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577472 1234957133 /nfs/dbraw/zinc/95/71/33/1234957133.db2.gz YGVDVBDAXCMWNP-LPHOPBHVSA-N 2 1 330.476 2.301 20 30 EEEDMP C[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001046597735 1234978674 /nfs/dbraw/zinc/97/86/74/1234978674.db2.gz KZEOVEMKVNVFAY-SFHVURJKSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001046597735 1234978677 /nfs/dbraw/zinc/97/86/77/1234978677.db2.gz KZEOVEMKVNVFAY-SFHVURJKSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001046951374 1235346860 /nfs/dbraw/zinc/34/68/60/1235346860.db2.gz BLOAKWMZQLOHIQ-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046951374 1235346863 /nfs/dbraw/zinc/34/68/63/1235346863.db2.gz BLOAKWMZQLOHIQ-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096308990 1237291333 /nfs/dbraw/zinc/29/13/33/1237291333.db2.gz GTBROLSOHXFAQY-QYZOEREBSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048524829 1237858894 /nfs/dbraw/zinc/85/88/94/1237858894.db2.gz BQAKQTCZFGFNRT-FKSLSLAPSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)C2 ZINC001048524829 1237858900 /nfs/dbraw/zinc/85/89/00/1237858900.db2.gz BQAKQTCZFGFNRT-FKSLSLAPSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)C2 ZINC001048524829 1237858913 /nfs/dbraw/zinc/85/89/13/1237858913.db2.gz BQAKQTCZFGFNRT-FKSLSLAPSA-N 2 1 331.504 2.406 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)C ZINC001048533268 1237895970 /nfs/dbraw/zinc/89/59/70/1237895970.db2.gz XHIDMPIEBCYVQI-RDGPPVDQSA-N 2 1 329.488 2.019 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001048533268 1237895987 /nfs/dbraw/zinc/89/59/87/1237895987.db2.gz XHIDMPIEBCYVQI-RDGPPVDQSA-N 2 1 329.488 2.019 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC(=C)C ZINC001048533268 1237895997 /nfs/dbraw/zinc/89/59/97/1237895997.db2.gz XHIDMPIEBCYVQI-RDGPPVDQSA-N 2 1 329.488 2.019 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC(=C)C ZINC001048533268 1237896006 /nfs/dbraw/zinc/89/60/06/1237896006.db2.gz XHIDMPIEBCYVQI-RDGPPVDQSA-N 2 1 329.488 2.019 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583166 1238022720 /nfs/dbraw/zinc/02/27/20/1238022720.db2.gz DWACDOHKJYDAAW-SWBPCFCJSA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583658 1238024414 /nfs/dbraw/zinc/02/44/14/1238024414.db2.gz QDLWFSPQBPASBJ-FKSLSLAPSA-N 2 1 331.504 2.099 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001048584200 1238025311 /nfs/dbraw/zinc/02/53/11/1238025311.db2.gz WTEPGUSFIUXKEM-MUJYYYPQSA-N 2 1 328.460 2.306 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001000188642 1240042927 /nfs/dbraw/zinc/04/29/27/1240042927.db2.gz BRYGJKZNYXCBAX-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000202011 1240056917 /nfs/dbraw/zinc/05/69/17/1240056917.db2.gz SIFXWQDWDUENES-CABCVRRESA-N 2 1 336.867 2.087 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000262210 1240109700 /nfs/dbraw/zinc/10/97/00/1240109700.db2.gz SJUNMJWOORNKQT-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001000687129 1240735521 /nfs/dbraw/zinc/73/55/21/1240735521.db2.gz WETJGSXMWBEJOZ-SFHVURJKSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001000687129 1240735524 /nfs/dbraw/zinc/73/55/24/1240735524.db2.gz WETJGSXMWBEJOZ-SFHVURJKSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001000687129 1240735530 /nfs/dbraw/zinc/73/55/30/1240735530.db2.gz WETJGSXMWBEJOZ-SFHVURJKSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001000789737 1240940324 /nfs/dbraw/zinc/94/03/24/1240940324.db2.gz CRUPJWCZAJHESR-SFHVURJKSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001000789737 1240940334 /nfs/dbraw/zinc/94/03/34/1240940334.db2.gz CRUPJWCZAJHESR-SFHVURJKSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001000789737 1240940343 /nfs/dbraw/zinc/94/03/43/1240940343.db2.gz CRUPJWCZAJHESR-SFHVURJKSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001000789737 1240940350 /nfs/dbraw/zinc/94/03/50/1240940350.db2.gz CRUPJWCZAJHESR-SFHVURJKSA-N 2 1 331.504 2.269 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768677 1242136894 /nfs/dbraw/zinc/13/68/94/1242136894.db2.gz YMOZZFCMVYTGNK-GUDVDZBRSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049768677 1242136897 /nfs/dbraw/zinc/13/68/97/1242136897.db2.gz YMOZZFCMVYTGNK-GUDVDZBRSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049768677 1242136900 /nfs/dbraw/zinc/13/69/00/1242136900.db2.gz YMOZZFCMVYTGNK-GUDVDZBRSA-N 2 1 331.504 2.338 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001049810558 1242267943 /nfs/dbraw/zinc/26/79/43/1242267943.db2.gz MDMKCJNEAFGGLK-ZWKOTPCHSA-N 2 1 337.427 2.132 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001049810558 1242267956 /nfs/dbraw/zinc/26/79/56/1242267956.db2.gz MDMKCJNEAFGGLK-ZWKOTPCHSA-N 2 1 337.427 2.132 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837261 1242367989 /nfs/dbraw/zinc/36/79/89/1242367989.db2.gz ANXWYKWKHBCUSW-RBUKOAKNSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(=C)C)CC1 ZINC001096607893 1242790514 /nfs/dbraw/zinc/79/05/14/1242790514.db2.gz MFQJGSIIXIUUGE-QYZOEREBSA-N 2 1 329.488 2.019 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001050140773 1242967377 /nfs/dbraw/zinc/96/73/77/1242967377.db2.gz PKXICYMFIRLGPB-ZIFCJYIRSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001050140773 1242967381 /nfs/dbraw/zinc/96/73/81/1242967381.db2.gz PKXICYMFIRLGPB-ZIFCJYIRSA-N 2 1 342.487 2.253 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050158223 1243006152 /nfs/dbraw/zinc/00/61/52/1243006152.db2.gz QGZIZEBAHYIGTG-GBESFXJTSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCCC)C[C@H]32)CC1 ZINC001050208993 1243125661 /nfs/dbraw/zinc/12/56/61/1243125661.db2.gz XMVZMOJODFXJAW-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709495 1244803740 /nfs/dbraw/zinc/80/37/40/1244803740.db2.gz NUUDFCCKLWIHLJ-HXUWFJFHSA-N 2 1 341.499 2.398 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051335 1245773450 /nfs/dbraw/zinc/77/34/50/1245773450.db2.gz NWRAZBOGLTUEES-RBUKOAKNSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095759 1245893266 /nfs/dbraw/zinc/89/32/66/1245893266.db2.gz KXQBFMHFSDOGLQ-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001101574878 1245979117 /nfs/dbraw/zinc/97/91/17/1245979117.db2.gz HZUDLEVCUDDQNW-AEFFLSMTSA-N 2 1 333.520 2.062 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001052248881 1246757742 /nfs/dbraw/zinc/75/77/42/1246757742.db2.gz BBSMSFJAZVWWAT-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001052248881 1246757758 /nfs/dbraw/zinc/75/77/58/1246757758.db2.gz BBSMSFJAZVWWAT-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001052248881 1246757773 /nfs/dbraw/zinc/75/77/73/1246757773.db2.gz BBSMSFJAZVWWAT-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001052253436 1246775897 /nfs/dbraw/zinc/77/58/97/1246775897.db2.gz DIJZUQZVFNBZFZ-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001052253436 1246775906 /nfs/dbraw/zinc/77/59/06/1246775906.db2.gz DIJZUQZVFNBZFZ-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001052253436 1246775912 /nfs/dbraw/zinc/77/59/12/1246775912.db2.gz DIJZUQZVFNBZFZ-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001054035293 1247187213 /nfs/dbraw/zinc/18/72/13/1247187213.db2.gz JCCNRGZQKNFZCB-RBUKOAKNSA-N 2 1 327.472 2.200 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054035293 1247187218 /nfs/dbraw/zinc/18/72/18/1247187218.db2.gz JCCNRGZQKNFZCB-RBUKOAKNSA-N 2 1 327.472 2.200 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054035293 1247187219 /nfs/dbraw/zinc/18/72/19/1247187219.db2.gz JCCNRGZQKNFZCB-RBUKOAKNSA-N 2 1 327.472 2.200 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054243783 1247854689 /nfs/dbraw/zinc/85/46/89/1247854689.db2.gz OBTCXYKKFMRHDO-NRFANRHFSA-N 2 1 339.483 2.310 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054245000 1247860161 /nfs/dbraw/zinc/86/01/61/1247860161.db2.gz MNBNVPHEBSSGRD-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245197 1247863271 /nfs/dbraw/zinc/86/32/71/1247863271.db2.gz PSOCHMXPMYGUNE-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246113 1247865982 /nfs/dbraw/zinc/86/59/82/1247865982.db2.gz NZLHERDZNSCGEE-PZJWPPBQSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246113 1247865993 /nfs/dbraw/zinc/86/59/93/1247865993.db2.gz NZLHERDZNSCGEE-PZJWPPBQSA-N 2 1 339.483 2.237 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001072983391 1255547417 /nfs/dbraw/zinc/54/74/17/1255547417.db2.gz UZBJCKMESYJJRQ-LJQANCHMSA-N 2 1 337.483 2.309 20 30 EEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983391 1255547421 /nfs/dbraw/zinc/54/74/21/1255547421.db2.gz UZBJCKMESYJJRQ-LJQANCHMSA-N 2 1 337.483 2.309 20 30 EEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983391 1255547425 /nfs/dbraw/zinc/54/74/25/1255547425.db2.gz UZBJCKMESYJJRQ-LJQANCHMSA-N 2 1 337.483 2.309 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050290 1255611478 /nfs/dbraw/zinc/61/14/78/1255611478.db2.gz SBXWUDKQXUTJPJ-HZPDHXFCSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050290 1255611483 /nfs/dbraw/zinc/61/14/83/1255611483.db2.gz SBXWUDKQXUTJPJ-HZPDHXFCSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001073050290 1255611485 /nfs/dbraw/zinc/61/14/85/1255611485.db2.gz SBXWUDKQXUTJPJ-HZPDHXFCSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073050290 1255611491 /nfs/dbraw/zinc/61/14/91/1255611491.db2.gz SBXWUDKQXUTJPJ-HZPDHXFCSA-N 2 1 337.895 2.290 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099240910 1258030296 /nfs/dbraw/zinc/03/02/96/1258030296.db2.gz VQHAUKKKQYMPGN-IRXDYDNUSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001099583409 1258227029 /nfs/dbraw/zinc/22/70/29/1258227029.db2.gz QVPRUURFGIXETN-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099583409 1258227037 /nfs/dbraw/zinc/22/70/37/1258227037.db2.gz QVPRUURFGIXETN-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099583409 1258227041 /nfs/dbraw/zinc/22/70/41/1258227041.db2.gz QVPRUURFGIXETN-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP Cc1cnc2cc(C(=O)NC[C@H](C)NCc3ccccc3C#N)ccn12 ZINC001491456030 1259099594 /nfs/dbraw/zinc/09/95/94/1259099594.db2.gz LEZZLTZECQFAKW-AWEZNQCLSA-N 2 1 347.422 2.423 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001185659259 1278734442 /nfs/dbraw/zinc/73/44/42/1278734442.db2.gz FWKCHLDCPFTOOH-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCCO1 ZINC001201072333 1287281752 /nfs/dbraw/zinc/28/17/52/1287281752.db2.gz NABDUDZLMYNFFQ-GOSISDBHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188112593 1279768226 /nfs/dbraw/zinc/76/82/26/1279768226.db2.gz GULFISROSCAJTJ-YESZJQIVSA-N 2 1 325.472 2.165 20 30 EEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192353343 1281944143 /nfs/dbraw/zinc/94/41/43/1281944143.db2.gz CMXAQIAODSTOQG-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192353343 1281944147 /nfs/dbraw/zinc/94/41/47/1281944147.db2.gz CMXAQIAODSTOQG-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001193099101 1282317142 /nfs/dbraw/zinc/31/71/42/1282317142.db2.gz JHKVEALDYPVNGK-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193099101 1282317149 /nfs/dbraw/zinc/31/71/49/1282317149.db2.gz JHKVEALDYPVNGK-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193099101 1282317154 /nfs/dbraw/zinc/31/71/54/1282317154.db2.gz JHKVEALDYPVNGK-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC/C=C/CCC)CC1 ZINC001196191774 1283926467 /nfs/dbraw/zinc/92/64/67/1283926467.db2.gz MEIGONDFXANGFL-GHOSXJJBSA-N 2 1 331.504 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC/C=C/CCC)CC1 ZINC001196191774 1283926470 /nfs/dbraw/zinc/92/64/70/1283926470.db2.gz MEIGONDFXANGFL-GHOSXJJBSA-N 2 1 331.504 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC/C=C/CCC)CC1 ZINC001196191774 1283926477 /nfs/dbraw/zinc/92/64/77/1283926477.db2.gz MEIGONDFXANGFL-GHOSXJJBSA-N 2 1 331.504 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC/C=C/CCC)CC1 ZINC001196191774 1283926479 /nfs/dbraw/zinc/92/64/79/1283926479.db2.gz MEIGONDFXANGFL-GHOSXJJBSA-N 2 1 331.504 2.365 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001215001684 1296685991 /nfs/dbraw/zinc/68/59/91/1296685991.db2.gz OIIBVJWNFHJHTB-CRAIPNDOSA-N 2 1 342.487 2.225 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218355872 1297639980 /nfs/dbraw/zinc/63/99/80/1297639980.db2.gz SLXXOADGBWKWEJ-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC001218355872 1297639989 /nfs/dbraw/zinc/63/99/89/1297639989.db2.gz SLXXOADGBWKWEJ-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC001218355872 1297639996 /nfs/dbraw/zinc/63/99/96/1297639996.db2.gz SLXXOADGBWKWEJ-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899547 1299472805 /nfs/dbraw/zinc/47/28/05/1299472805.db2.gz VHLWFEJKMLUSRB-IRXDYDNUSA-N 2 1 341.540 2.239 20 30 EEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899547 1299472820 /nfs/dbraw/zinc/47/28/20/1299472820.db2.gz VHLWFEJKMLUSRB-IRXDYDNUSA-N 2 1 341.540 2.239 20 30 EEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099899547 1299472840 /nfs/dbraw/zinc/47/28/40/1299472840.db2.gz VHLWFEJKMLUSRB-IRXDYDNUSA-N 2 1 341.540 2.239 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](C)C ZINC001102087940 1300275943 /nfs/dbraw/zinc/27/59/43/1300275943.db2.gz CRHWIRSEQPCOQM-CKEIUWERSA-N 2 1 348.516 2.144 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](C)C ZINC001102377340 1300956603 /nfs/dbraw/zinc/95/66/03/1300956603.db2.gz ZZONHONWEOMPMQ-LZQZEXGQSA-N 2 1 342.487 2.083 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001102496419 1301147409 /nfs/dbraw/zinc/14/74/09/1301147409.db2.gz UNQPTBWAHKIPFD-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001102496419 1301147411 /nfs/dbraw/zinc/14/74/11/1301147411.db2.gz UNQPTBWAHKIPFD-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001102496419 1301147412 /nfs/dbraw/zinc/14/74/12/1301147412.db2.gz UNQPTBWAHKIPFD-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601755 1301275427 /nfs/dbraw/zinc/27/54/27/1301275427.db2.gz OSGWPZCOKYJCSX-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001103007741 1302058522 /nfs/dbraw/zinc/05/85/22/1302058522.db2.gz VAVWOLNZNUYBMC-BRWVUGGUSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001103007741 1302058529 /nfs/dbraw/zinc/05/85/29/1302058529.db2.gz VAVWOLNZNUYBMC-BRWVUGGUSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085128 1302189849 /nfs/dbraw/zinc/18/98/49/1302189849.db2.gz GYPDURSMQQMDKU-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103085128 1302189855 /nfs/dbraw/zinc/18/98/55/1302189855.db2.gz GYPDURSMQQMDKU-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103085128 1302189863 /nfs/dbraw/zinc/18/98/63/1302189863.db2.gz GYPDURSMQQMDKU-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001111948914 1304099928 /nfs/dbraw/zinc/09/99/28/1304099928.db2.gz CSIOQIDOGMRLSQ-RDJZCZTQSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111948914 1304099930 /nfs/dbraw/zinc/09/99/30/1304099930.db2.gz CSIOQIDOGMRLSQ-RDJZCZTQSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111948914 1304099935 /nfs/dbraw/zinc/09/99/35/1304099935.db2.gz CSIOQIDOGMRLSQ-RDJZCZTQSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111948914 1304099938 /nfs/dbraw/zinc/09/99/38/1304099938.db2.gz CSIOQIDOGMRLSQ-RDJZCZTQSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001115101488 1304679844 /nfs/dbraw/zinc/67/98/44/1304679844.db2.gz VXFVPCKLBWGEEQ-BWTSREIZSA-N 2 1 331.504 2.121 20 30 EEEDMP C=CCOCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001235336948 1305195952 /nfs/dbraw/zinc/19/59/52/1305195952.db2.gz RAZFTOWQRUTQOM-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001235336948 1305195955 /nfs/dbraw/zinc/19/59/55/1305195955.db2.gz RAZFTOWQRUTQOM-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001235336948 1305195959 /nfs/dbraw/zinc/19/59/59/1305195959.db2.gz RAZFTOWQRUTQOM-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001235336948 1305195963 /nfs/dbraw/zinc/19/59/63/1305195963.db2.gz RAZFTOWQRUTQOM-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001235336948 1305195967 /nfs/dbraw/zinc/19/59/67/1305195967.db2.gz RAZFTOWQRUTQOM-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546401 1305318442 /nfs/dbraw/zinc/31/84/42/1305318442.db2.gz KKINLFMBHNPFMZ-MSOLQXFVSA-N 2 1 349.519 2.225 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120401640 1309512684 /nfs/dbraw/zinc/51/26/84/1309512684.db2.gz KQAKQVDEUPZMGN-QZTJIDSGSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120401640 1309512690 /nfs/dbraw/zinc/51/26/90/1309512690.db2.gz KQAKQVDEUPZMGN-QZTJIDSGSA-N 2 1 333.520 2.443 20 30 EEEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]2c2ccccc2)C1=O ZINC001246698462 1310385011 /nfs/dbraw/zinc/38/50/11/1310385011.db2.gz FPALZNOWHOIYGA-SBHAEUEKSA-N 2 1 339.483 2.243 20 30 EEEDMP C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]2c2ccccc2)C1=O ZINC001246698462 1310385030 /nfs/dbraw/zinc/38/50/30/1310385030.db2.gz FPALZNOWHOIYGA-SBHAEUEKSA-N 2 1 339.483 2.243 20 30 EEEDMP COc1ccc(C(C)=NN2CC[NH+](C)CC2)cc1C[NH+]1CCCC1 ZINC000839383649 1315208854 /nfs/dbraw/zinc/20/88/54/1315208854.db2.gz LZSODKMSNZMHRD-UHFFFAOYSA-N 2 1 330.476 2.262 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150777400 1316371916 /nfs/dbraw/zinc/37/19/16/1316371916.db2.gz DOODMVLTTQEFFQ-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](C[NH2+][C@@H]3CC[C@H](C#N)C3)C[C@H]2C1 ZINC001254634323 1318151918 /nfs/dbraw/zinc/15/19/18/1318151918.db2.gz BPHBSKYQMXOLLQ-HZMVEIRTSA-N 2 1 348.491 2.209 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](C[NH2+][C@@H]3CC[C@H](C#N)C3)C[C@H]2C1 ZINC001254634323 1318151925 /nfs/dbraw/zinc/15/19/25/1318151925.db2.gz BPHBSKYQMXOLLQ-HZMVEIRTSA-N 2 1 348.491 2.209 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](C[NH2+][C@H]3CC[C@H](C#N)C3)C[C@H]2C1 ZINC001254634326 1318152828 /nfs/dbraw/zinc/15/28/28/1318152828.db2.gz BPHBSKYQMXOLLQ-YVSFHVDLSA-N 2 1 348.491 2.209 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](C[NH2+][C@H]3CC[C@H](C#N)C3)C[C@H]2C1 ZINC001254634326 1318152835 /nfs/dbraw/zinc/15/28/35/1318152835.db2.gz BPHBSKYQMXOLLQ-YVSFHVDLSA-N 2 1 348.491 2.209 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118247 1318419511 /nfs/dbraw/zinc/41/95/11/1318419511.db2.gz AHSLJJNQNVRQJX-MSOLQXFVSA-N 2 1 339.524 2.136 20 30 EEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001158508485 1319276480 /nfs/dbraw/zinc/27/64/80/1319276480.db2.gz ZZRCDUZSLFZZJC-HXUWFJFHSA-N 2 1 341.499 2.350 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1sccc1Cl ZINC001160197822 1320096607 /nfs/dbraw/zinc/09/66/07/1320096607.db2.gz IJIFGDUBLVFBOK-AWEZNQCLSA-N 2 1 339.892 2.095 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1sccc1Cl ZINC001160197822 1320096611 /nfs/dbraw/zinc/09/66/11/1320096611.db2.gz IJIFGDUBLVFBOK-AWEZNQCLSA-N 2 1 339.892 2.095 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCCc1ccccc1 ZINC001160198109 1320097044 /nfs/dbraw/zinc/09/70/44/1320097044.db2.gz SJPYOVVWIOKQLI-FQEVSTJZSA-N 2 1 341.499 2.203 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCCc1ccccc1 ZINC001160198109 1320097049 /nfs/dbraw/zinc/09/70/49/1320097049.db2.gz SJPYOVVWIOKQLI-FQEVSTJZSA-N 2 1 341.499 2.203 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360851 1320144447 /nfs/dbraw/zinc/14/44/47/1320144447.db2.gz XMCZQOGALALRGR-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360851 1320144450 /nfs/dbraw/zinc/14/44/50/1320144450.db2.gz XMCZQOGALALRGR-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360851 1320144455 /nfs/dbraw/zinc/14/44/55/1320144455.db2.gz XMCZQOGALALRGR-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001160787168 1320268369 /nfs/dbraw/zinc/26/83/69/1320268369.db2.gz JOSHZRZOCGFOBW-UHFFFAOYSA-N 2 1 339.483 2.176 20 30 EEEDMP C[NH+](C)CCC(=O)NCCC1=CC[N@H+](Cc2ccccc2C#N)CC1 ZINC001161090124 1320382043 /nfs/dbraw/zinc/38/20/43/1320382043.db2.gz PGBVBOPSFBGICJ-UHFFFAOYSA-N 2 1 340.471 2.148 20 30 EEEDMP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001161090124 1320382044 /nfs/dbraw/zinc/38/20/44/1320382044.db2.gz PGBVBOPSFBGICJ-UHFFFAOYSA-N 2 1 340.471 2.148 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC001164574195 1321421822 /nfs/dbraw/zinc/42/18/22/1321421822.db2.gz AYLNTTJSFMIZTE-HOCLYGCPSA-N 2 1 346.450 2.024 20 30 EEEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203468257 1321887520 /nfs/dbraw/zinc/88/75/20/1321887520.db2.gz JPGGWAMZLPIDSJ-CVEARBPZSA-N 2 1 328.460 2.047 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205462467 1323147680 /nfs/dbraw/zinc/14/76/80/1323147680.db2.gz ZDCYFEKZDAMLEP-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001206696534 1323566854 /nfs/dbraw/zinc/56/68/54/1323566854.db2.gz XZHFRYITHMAMOQ-UHFFFAOYSA-N 2 1 339.443 2.285 20 30 EEEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107313 1324319431 /nfs/dbraw/zinc/31/94/31/1324319431.db2.gz REKPFBDCMZDUFE-KRWDZBQOSA-N 2 1 332.492 2.254 20 30 EEEDMP N#Cc1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276687081 1325338677 /nfs/dbraw/zinc/33/86/77/1325338677.db2.gz LXHZWXYHQVZENO-UHFFFAOYSA-N 2 1 336.443 2.164 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132523208 1367754057 /nfs/dbraw/zinc/75/40/57/1367754057.db2.gz YZTAUPCMGJSPGK-QFBILLFUSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132523208 1367754084 /nfs/dbraw/zinc/75/40/84/1367754084.db2.gz YZTAUPCMGJSPGK-QFBILLFUSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132523208 1367754100 /nfs/dbraw/zinc/75/41/00/1367754100.db2.gz YZTAUPCMGJSPGK-QFBILLFUSA-N 2 1 342.487 2.368 20 30 EEEDMP CN1CCC([N@H+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001273827732 1368726425 /nfs/dbraw/zinc/72/64/25/1368726425.db2.gz WHSOHGSZKDGUAN-LJQANCHMSA-N 2 1 332.492 2.089 20 30 EEEDMP C[NH+]1CCC([N@@H+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001273827732 1368726433 /nfs/dbraw/zinc/72/64/33/1368726433.db2.gz WHSOHGSZKDGUAN-LJQANCHMSA-N 2 1 332.492 2.089 20 30 EEEDMP C[NH+]1CCC([N@H+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001273827732 1368726441 /nfs/dbraw/zinc/72/64/41/1368726441.db2.gz WHSOHGSZKDGUAN-LJQANCHMSA-N 2 1 332.492 2.089 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099265422 1370995536 /nfs/dbraw/zinc/99/55/36/1370995536.db2.gz IYEOUPINDIPFNT-MGPQQGTHSA-N 2 1 333.398 2.026 20 30 EEEDMP CCNC(NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)=[NH+]CC ZINC000849109689 1373241209 /nfs/dbraw/zinc/24/12/09/1373241209.db2.gz DQWSEBNQCLBZHJ-QZTJIDSGSA-N 2 1 332.492 2.099 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001377414841 1379221731 /nfs/dbraw/zinc/22/17/31/1379221731.db2.gz NXRIZOQOSDPPFN-OALUTQOASA-N 2 1 342.487 2.225 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccccc2C#N)C1 ZINC001380969145 1381471561 /nfs/dbraw/zinc/47/15/61/1381471561.db2.gz YXLFPIXVPXULEJ-KRWDZBQOSA-N 2 1 342.487 2.180 20 30 EEEDMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2ccccc2C#N)C1 ZINC001380969145 1381471564 /nfs/dbraw/zinc/47/15/64/1381471564.db2.gz YXLFPIXVPXULEJ-KRWDZBQOSA-N 2 1 342.487 2.180 20 30 EEEDMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2ccccc2C#N)C1 ZINC001380969145 1381471567 /nfs/dbraw/zinc/47/15/67/1381471567.db2.gz YXLFPIXVPXULEJ-KRWDZBQOSA-N 2 1 342.487 2.180 20 30 EEEDMP C=CCCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001754945867 1407006682 /nfs/dbraw/zinc/00/66/82/1407006682.db2.gz LTTCDEULTSDHOU-LJQANCHMSA-N 2 1 345.487 2.031 20 30 EEEDMP C=CCCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001754945867 1407006685 /nfs/dbraw/zinc/00/66/85/1407006685.db2.gz LTTCDEULTSDHOU-LJQANCHMSA-N 2 1 345.487 2.031 20 30 EEEDMP C=CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001754945867 1407006693 /nfs/dbraw/zinc/00/66/93/1407006693.db2.gz LTTCDEULTSDHOU-LJQANCHMSA-N 2 1 345.487 2.031 20 30 EEEDMP C=CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001754945867 1407006696 /nfs/dbraw/zinc/00/66/96/1407006696.db2.gz LTTCDEULTSDHOU-LJQANCHMSA-N 2 1 345.487 2.031 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC001755002657 1407022507 /nfs/dbraw/zinc/02/25/07/1407022507.db2.gz WCZNCIRMSYFBJF-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001755316514 1407314399 /nfs/dbraw/zinc/31/43/99/1407314399.db2.gz MVQQTCFFVAWKOT-UHOSZYNNSA-N 2 1 329.488 2.344 20 30 EEEDMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001755316514 1407314408 /nfs/dbraw/zinc/31/44/08/1407314408.db2.gz MVQQTCFFVAWKOT-UHOSZYNNSA-N 2 1 329.488 2.344 20 30 EEEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001755316514 1407314415 /nfs/dbraw/zinc/31/44/15/1407314415.db2.gz MVQQTCFFVAWKOT-UHOSZYNNSA-N 2 1 329.488 2.344 20 30 EEEDMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001755383746 1407391151 /nfs/dbraw/zinc/39/11/51/1407391151.db2.gz XWVHVJIIJPFRPB-GDBMZVCRSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100038699 1410514863 /nfs/dbraw/zinc/51/48/63/1410514863.db2.gz LTCHHBRXWSGISP-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038699 1410514864 /nfs/dbraw/zinc/51/48/64/1410514864.db2.gz LTCHHBRXWSGISP-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038699 1410514866 /nfs/dbraw/zinc/51/48/66/1410514866.db2.gz LTCHHBRXWSGISP-MSOLQXFVSA-N 2 1 339.524 2.016 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@H](C)F)[C@@H]2CC)CC1 ZINC001087839957 782348230 /nfs/dbraw/zinc/34/82/30/782348230.db2.gz BGQNITWJKBFADV-RYQLBKOJSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001075454310 760712082 /nfs/dbraw/zinc/71/20/82/760712082.db2.gz QIUANGBLOZJPLA-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)CC1 ZINC001075454310 760712089 /nfs/dbraw/zinc/71/20/89/760712089.db2.gz QIUANGBLOZJPLA-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)CC1 ZINC001075454310 760712095 /nfs/dbraw/zinc/71/20/95/760712095.db2.gz QIUANGBLOZJPLA-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001167626991 760771380 /nfs/dbraw/zinc/77/13/80/760771380.db2.gz IPIZSRDXXHLAQY-IBGZPJMESA-N 2 1 342.487 2.417 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211623765 761183056 /nfs/dbraw/zinc/18/30/56/761183056.db2.gz SHAMVKPYNITIKH-XUVXKRRUSA-N 2 1 339.483 2.078 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088084095 782881882 /nfs/dbraw/zinc/88/18/82/782881882.db2.gz XBKGDAOXLNICNE-WBVHZDCISA-N 2 1 331.460 2.311 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166426 783011703 /nfs/dbraw/zinc/01/17/03/783011703.db2.gz AMKQYTFZBOZAEN-HSALFYBXSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166426 783011709 /nfs/dbraw/zinc/01/17/09/783011709.db2.gz AMKQYTFZBOZAEN-HSALFYBXSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166426 783011714 /nfs/dbraw/zinc/01/17/14/783011714.db2.gz AMKQYTFZBOZAEN-HSALFYBXSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942720485 783052213 /nfs/dbraw/zinc/05/22/13/783052213.db2.gz JLAQLTXEMKRMSY-DOTOQJQBSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942720485 783052217 /nfs/dbraw/zinc/05/22/17/783052217.db2.gz JLAQLTXEMKRMSY-DOTOQJQBSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112181975 783123087 /nfs/dbraw/zinc/12/30/87/783123087.db2.gz HPYVFCZVZSTQBY-VXGBXAGGSA-N 2 1 341.805 2.060 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664518 774083317 /nfs/dbraw/zinc/08/33/17/774083317.db2.gz MAQIPIAUSLMRKS-KRWDZBQOSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCCC)C[C@H]3C2)CC1 ZINC000980257925 774203308 /nfs/dbraw/zinc/20/33/08/774203308.db2.gz VRDGBUZVOOBEMU-VAMGGRTRSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779267 783187212 /nfs/dbraw/zinc/18/72/12/783187212.db2.gz LWOUMMNEMCEXNT-GBESFXJTSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779267 783187218 /nfs/dbraw/zinc/18/72/18/783187218.db2.gz LWOUMMNEMCEXNT-GBESFXJTSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779267 783187227 /nfs/dbraw/zinc/18/72/27/783187227.db2.gz LWOUMMNEMCEXNT-GBESFXJTSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485430 774709295 /nfs/dbraw/zinc/70/92/95/774709295.db2.gz JVXDIRSFKASYGY-CVEARBPZSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485430 774709300 /nfs/dbraw/zinc/70/93/00/774709300.db2.gz JVXDIRSFKASYGY-CVEARBPZSA-N 2 1 327.900 2.392 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089734216 774792232 /nfs/dbraw/zinc/79/22/32/774792232.db2.gz MANZKAALQOCRCN-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734216 774792236 /nfs/dbraw/zinc/79/22/36/774792236.db2.gz MANZKAALQOCRCN-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734216 774792239 /nfs/dbraw/zinc/79/22/39/774792239.db2.gz MANZKAALQOCRCN-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171247811 790463045 /nfs/dbraw/zinc/46/30/45/790463045.db2.gz OMZWDAGHOHYDBO-IAGOWNOFSA-N 2 1 348.491 2.228 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089831989 777327749 /nfs/dbraw/zinc/32/77/49/777327749.db2.gz PWZFSDLNRPTNJF-MANSERQUSA-N 2 1 343.515 2.360 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089846209 777802239 /nfs/dbraw/zinc/80/22/39/777802239.db2.gz KWWHPYYLVUHXMJ-OKYOBFRVSA-N 2 1 343.515 2.053 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982099549 779091743 /nfs/dbraw/zinc/09/17/43/779091743.db2.gz DBZBYTKAUFADCY-UHFFFAOYSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3ncc[nH]3)C[C@@]2(C)C1 ZINC000982269310 779466218 /nfs/dbraw/zinc/46/62/18/779466218.db2.gz SSUJFJSZWDMOJX-KDURUIRLSA-N 2 1 330.476 2.479 20 30 EEEDMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087443626 780279477 /nfs/dbraw/zinc/27/94/77/780279477.db2.gz WPRWKTRZFYXVMM-XUVXKRRUSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087443626 780279484 /nfs/dbraw/zinc/27/94/84/780279484.db2.gz WPRWKTRZFYXVMM-XUVXKRRUSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087443626 780279493 /nfs/dbraw/zinc/27/94/93/780279493.db2.gz WPRWKTRZFYXVMM-XUVXKRRUSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862489 790914111 /nfs/dbraw/zinc/91/41/11/790914111.db2.gz BKHPZEUHNFGNNQ-APWZRJJASA-N 2 1 327.472 2.007 20 30 EEEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000809734212 783317966 /nfs/dbraw/zinc/31/79/66/783317966.db2.gz BAWUSIJWWQGTMC-KRWDZBQOSA-N 2 1 344.503 2.435 20 30 EEEDMP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)C(C)C ZINC001135477707 783868327 /nfs/dbraw/zinc/86/83/27/783868327.db2.gz NVHOIXRGSXNFTR-GOSISDBHSA-N 2 1 348.466 2.270 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035260167 784214964 /nfs/dbraw/zinc/21/49/64/784214964.db2.gz QTZHTOVLCGLELG-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035260167 784214968 /nfs/dbraw/zinc/21/49/68/784214968.db2.gz QTZHTOVLCGLELG-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP C=CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001035571719 784705024 /nfs/dbraw/zinc/70/50/24/784705024.db2.gz HQEXQDYQCGGPIK-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001035571719 784705031 /nfs/dbraw/zinc/70/50/31/784705031.db2.gz HQEXQDYQCGGPIK-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001035571719 784705036 /nfs/dbraw/zinc/70/50/36/784705036.db2.gz HQEXQDYQCGGPIK-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001035571719 784705048 /nfs/dbraw/zinc/70/50/48/784705048.db2.gz HQEXQDYQCGGPIK-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107817720 788559463 /nfs/dbraw/zinc/55/94/63/788559463.db2.gz WHBLIABHICBAOD-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000946861409 788884174 /nfs/dbraw/zinc/88/41/74/788884174.db2.gz LISOBJOYUCCTIM-IYBDPMFKSA-N 2 1 337.895 2.005 20 30 EEEDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171221303 790130113 /nfs/dbraw/zinc/13/01/13/790130113.db2.gz KFSKJGZIVWIMPF-INIZCTEOSA-N 2 1 331.460 2.306 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001032590873 791823287 /nfs/dbraw/zinc/82/32/87/791823287.db2.gz BYEZPYBFHGJIEL-NJAFHUGGSA-N 2 1 328.460 2.005 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001032590873 791823294 /nfs/dbraw/zinc/82/32/94/791823294.db2.gz BYEZPYBFHGJIEL-NJAFHUGGSA-N 2 1 328.460 2.005 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998028739 791853878 /nfs/dbraw/zinc/85/38/78/791853878.db2.gz AGMXNJKDGIHYKD-IAGOWNOFSA-N 2 1 328.460 2.097 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998028739 791853880 /nfs/dbraw/zinc/85/38/80/791853880.db2.gz AGMXNJKDGIHYKD-IAGOWNOFSA-N 2 1 328.460 2.097 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998054120 791897582 /nfs/dbraw/zinc/89/75/82/791897582.db2.gz VWLQFGNRUGWKGK-MRXNPFEDSA-N 2 1 346.475 2.076 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998054120 791897586 /nfs/dbraw/zinc/89/75/86/791897586.db2.gz VWLQFGNRUGWKGK-MRXNPFEDSA-N 2 1 346.475 2.076 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC=C)CC2)CC1 ZINC000998195711 792200378 /nfs/dbraw/zinc/20/03/78/792200378.db2.gz GXBBIGWHSPFMQP-LJQANCHMSA-N 2 1 331.504 2.221 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091730951 792543120 /nfs/dbraw/zinc/54/31/20/792543120.db2.gz JXVOCXWIVJRFAC-NSHGMRRFSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091730951 792543128 /nfs/dbraw/zinc/54/31/28/792543128.db2.gz JXVOCXWIVJRFAC-NSHGMRRFSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091730951 792543137 /nfs/dbraw/zinc/54/31/37/792543137.db2.gz JXVOCXWIVJRFAC-NSHGMRRFSA-N 2 1 333.520 2.321 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939706 793027054 /nfs/dbraw/zinc/02/70/54/793027054.db2.gz XWIPFFMZRZKXAV-OTWHNJEPSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092069487 793531996 /nfs/dbraw/zinc/53/19/96/793531996.db2.gz OWSSHGLFRDIIFB-XLIONFOSSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092069487 793532000 /nfs/dbraw/zinc/53/20/00/793532000.db2.gz OWSSHGLFRDIIFB-XLIONFOSSA-N 2 1 342.487 2.200 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)[C@H](C)C1 ZINC001092742633 794287950 /nfs/dbraw/zinc/28/79/50/794287950.db2.gz XYSZIBXQTFVXFY-IXDOHACOSA-N 2 1 330.476 2.096 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092919425 794437681 /nfs/dbraw/zinc/43/76/81/794437681.db2.gz OAMQBIDREVGBMF-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092919425 794437688 /nfs/dbraw/zinc/43/76/88/794437688.db2.gz OAMQBIDREVGBMF-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089959842 795610881 /nfs/dbraw/zinc/61/08/81/795610881.db2.gz RXFGWCBAQKJLBE-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089959842 795610886 /nfs/dbraw/zinc/61/08/86/795610886.db2.gz RXFGWCBAQKJLBE-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089959842 795610888 /nfs/dbraw/zinc/61/08/88/795610888.db2.gz RXFGWCBAQKJLBE-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413805 796200937 /nfs/dbraw/zinc/20/09/37/796200937.db2.gz LDPVMAKOAHCTLR-NLWGTHIKSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094413805 796200944 /nfs/dbraw/zinc/20/09/44/796200944.db2.gz LDPVMAKOAHCTLR-NLWGTHIKSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094413805 796200949 /nfs/dbraw/zinc/20/09/49/796200949.db2.gz LDPVMAKOAHCTLR-NLWGTHIKSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433769 796227525 /nfs/dbraw/zinc/22/75/25/796227525.db2.gz BPOSAHWUOBLEJM-GPMSIDNRSA-N 2 1 328.460 2.307 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433769 796227527 /nfs/dbraw/zinc/22/75/27/796227527.db2.gz BPOSAHWUOBLEJM-GPMSIDNRSA-N 2 1 328.460 2.307 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715851 796259651 /nfs/dbraw/zinc/25/96/51/796259651.db2.gz MTQGDICGBGBSNG-UKRRQHHQSA-N 2 1 338.883 2.443 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC(=C)Cl)C2)CC1 ZINC001036902137 796439703 /nfs/dbraw/zinc/43/97/03/796439703.db2.gz FTHUVCZDLFBQHE-ROUUACIJSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC001080997575 796547918 /nfs/dbraw/zinc/54/79/18/796547918.db2.gz FQKIIUVEKHOIPV-SJLPKXTDSA-N 2 1 333.520 2.204 20 30 EEEDMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@H]21 ZINC001172991008 797201275 /nfs/dbraw/zinc/20/12/75/797201275.db2.gz TYVSBBZQFGPMLL-WCXIOVBPSA-N 2 1 348.491 2.304 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001106840322 797241470 /nfs/dbraw/zinc/24/14/70/797241470.db2.gz HURCXGPXTJBVQY-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP C=C(Cl)CN1CCC[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H]1C ZINC000994061873 797269424 /nfs/dbraw/zinc/26/94/24/797269424.db2.gz VNIQABHOCBGYTR-JKSUJKDBSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(CC)CC)C[C@H]21 ZINC001084417810 798184689 /nfs/dbraw/zinc/18/46/89/798184689.db2.gz GRRZLCSDGDCEQM-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(CC)CC)C[C@H]21 ZINC001084417810 798184691 /nfs/dbraw/zinc/18/46/91/798184691.db2.gz GRRZLCSDGDCEQM-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(CC)CC)C[C@H]21 ZINC001084417810 798184694 /nfs/dbraw/zinc/18/46/94/798184694.db2.gz GRRZLCSDGDCEQM-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(CC)CC)C[C@H]21 ZINC001084417810 798184696 /nfs/dbraw/zinc/18/46/96/798184696.db2.gz GRRZLCSDGDCEQM-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545571 798267788 /nfs/dbraw/zinc/26/77/88/798267788.db2.gz OYTCHEWDOJGMLE-QRVBRYPASA-N 2 1 331.504 2.360 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957651 798577038 /nfs/dbraw/zinc/57/70/38/798577038.db2.gz MQMFWQZGVYXFFN-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957651 798577041 /nfs/dbraw/zinc/57/70/41/798577041.db2.gz MQMFWQZGVYXFFN-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957651 798577044 /nfs/dbraw/zinc/57/70/44/798577044.db2.gz MQMFWQZGVYXFFN-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)CN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002803289 798624482 /nfs/dbraw/zinc/62/44/82/798624482.db2.gz UPCVVBQYAOVPCF-ZBFHGGJFSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002803289 798624485 /nfs/dbraw/zinc/62/44/85/798624485.db2.gz UPCVVBQYAOVPCF-ZBFHGGJFSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002803289 798624486 /nfs/dbraw/zinc/62/44/86/798624486.db2.gz UPCVVBQYAOVPCF-ZBFHGGJFSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586124 806698303 /nfs/dbraw/zinc/69/83/03/806698303.db2.gz IXCVOGMYCZCBBZ-RDJZCZTQSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001179420906 799927584 /nfs/dbraw/zinc/92/75/84/799927584.db2.gz RJAMQVNUNCTNDZ-ZVZYQTTQSA-N 2 1 330.476 2.299 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001085332356 800372103 /nfs/dbraw/zinc/37/21/03/800372103.db2.gz UKHYZOBXLHSCAB-IIDMSEBBSA-N 2 1 325.472 2.402 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001086110079 802200099 /nfs/dbraw/zinc/20/00/99/802200099.db2.gz SMOWZHWBQFXBBW-ZCNNSNEGSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001086110079 802200104 /nfs/dbraw/zinc/20/01/04/802200104.db2.gz SMOWZHWBQFXBBW-ZCNNSNEGSA-N 2 1 339.483 2.077 20 30 EEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001184822258 802209701 /nfs/dbraw/zinc/20/97/01/802209701.db2.gz QGUIENCSCIPKLL-HZPDHXFCSA-N 2 1 330.476 2.022 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001004523618 802289209 /nfs/dbraw/zinc/28/92/09/802289209.db2.gz SMBQXNPWQDGCJP-YTQUADARSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004523618 802289210 /nfs/dbraw/zinc/28/92/10/802289210.db2.gz SMBQXNPWQDGCJP-YTQUADARSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004523618 802289214 /nfs/dbraw/zinc/28/92/14/802289214.db2.gz SMBQXNPWQDGCJP-YTQUADARSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004524869 802293120 /nfs/dbraw/zinc/29/31/20/802293120.db2.gz XPADBHWBSJLEDO-YSIASYRMSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001004524869 802293128 /nfs/dbraw/zinc/29/31/28/802293128.db2.gz XPADBHWBSJLEDO-YSIASYRMSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001004524869 802293136 /nfs/dbraw/zinc/29/31/36/802293136.db2.gz XPADBHWBSJLEDO-YSIASYRMSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001004525373 802295545 /nfs/dbraw/zinc/29/55/45/802295545.db2.gz GDVDKCWMSZRMLI-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001004525373 802295548 /nfs/dbraw/zinc/29/55/48/802295548.db2.gz GDVDKCWMSZRMLI-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001004525373 802295551 /nfs/dbraw/zinc/29/55/51/802295551.db2.gz GDVDKCWMSZRMLI-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141048 802316828 /nfs/dbraw/zinc/31/68/28/802316828.db2.gz JYRMTEUNDIRLNL-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033141048 802316836 /nfs/dbraw/zinc/31/68/36/802316836.db2.gz JYRMTEUNDIRLNL-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033141048 802316845 /nfs/dbraw/zinc/31/68/45/802316845.db2.gz JYRMTEUNDIRLNL-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001004543365 802338546 /nfs/dbraw/zinc/33/85/46/802338546.db2.gz OVXGJUJMGBKAHO-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004543365 802338555 /nfs/dbraw/zinc/33/85/55/802338555.db2.gz OVXGJUJMGBKAHO-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004543365 802338564 /nfs/dbraw/zinc/33/85/64/802338564.db2.gz OVXGJUJMGBKAHO-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC3CC3)C[C@H]2CC1 ZINC000946628232 802369427 /nfs/dbraw/zinc/36/94/27/802369427.db2.gz NDVYHJAOYXSVKC-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC3CC3)C[C@H]2CC1 ZINC000946628232 802369436 /nfs/dbraw/zinc/36/94/36/802369436.db2.gz NDVYHJAOYXSVKC-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1 ZINC000946628232 802369443 /nfs/dbraw/zinc/36/94/43/802369443.db2.gz NDVYHJAOYXSVKC-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1 ZINC000946628232 802369451 /nfs/dbraw/zinc/36/94/51/802369451.db2.gz NDVYHJAOYXSVKC-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109308306 805265581 /nfs/dbraw/zinc/26/55/81/805265581.db2.gz TVCPYHQERMQRAU-YVSFHVDLSA-N 2 1 328.460 2.141 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109308306 805265588 /nfs/dbraw/zinc/26/55/88/805265588.db2.gz TVCPYHQERMQRAU-YVSFHVDLSA-N 2 1 328.460 2.141 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304690 810819148 /nfs/dbraw/zinc/81/91/48/810819148.db2.gz WTSBAVHDYVIALC-YIOZNXECSA-N 2 1 330.476 2.409 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304690 810819157 /nfs/dbraw/zinc/81/91/57/810819157.db2.gz WTSBAVHDYVIALC-YIOZNXECSA-N 2 1 330.476 2.409 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086624115 810935930 /nfs/dbraw/zinc/93/59/30/810935930.db2.gz NWCYSRAQJHMAGQ-GBESFXJTSA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086624115 810935937 /nfs/dbraw/zinc/93/59/37/810935937.db2.gz NWCYSRAQJHMAGQ-GBESFXJTSA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086624115 810935944 /nfs/dbraw/zinc/93/59/44/810935944.db2.gz NWCYSRAQJHMAGQ-GBESFXJTSA-N 2 1 327.472 2.098 20 30 EEEDMP C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001439156178 1091800037 /nfs/dbraw/zinc/80/00/37/1091800037.db2.gz ZFCZHPOUFIKISD-CQSZACIVSA-N 2 1 348.466 2.270 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001439161785 1091805483 /nfs/dbraw/zinc/80/54/83/1091805483.db2.gz RPXNWRKKDKVOQU-CYBMUJFWSA-N 2 1 345.472 2.199 20 30 EEEDMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001443891553 1098419854 /nfs/dbraw/zinc/41/98/54/1098419854.db2.gz ZOPFWZACQJQGSB-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001443891553 1098419857 /nfs/dbraw/zinc/41/98/57/1098419857.db2.gz ZOPFWZACQJQGSB-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001443891553 1098419860 /nfs/dbraw/zinc/41/98/60/1098419860.db2.gz ZOPFWZACQJQGSB-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001444305713 1098862902 /nfs/dbraw/zinc/86/29/02/1098862902.db2.gz GDRYKBJPLMAXDE-VQIMIIECSA-N 2 1 342.487 2.273 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001498329796 1107307167 /nfs/dbraw/zinc/30/71/67/1107307167.db2.gz LIQNSCKQGQPPTO-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602212 781922323 /nfs/dbraw/zinc/92/23/23/781922323.db2.gz FCJYKUDPWBACCB-OTWHNJEPSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602212 781922329 /nfs/dbraw/zinc/92/23/29/781922329.db2.gz FCJYKUDPWBACCB-OTWHNJEPSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087602212 781922340 /nfs/dbraw/zinc/92/23/40/781922340.db2.gz FCJYKUDPWBACCB-OTWHNJEPSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133086 218196039 /nfs/dbraw/zinc/19/60/39/218196039.db2.gz BYRHERHRKJPXIY-HXUWFJFHSA-N 2 1 341.499 2.301 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000491676761 533102289 /nfs/dbraw/zinc/10/22/89/533102289.db2.gz PDVFXUBWDDDVJN-LJQANCHMSA-N 2 1 348.535 2.095 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)C ZINC000341297125 465098157 /nfs/dbraw/zinc/09/81/57/465098157.db2.gz LXSNVLYKBMTUCX-BHIYHBOVSA-N 2 1 348.535 2.467 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261803807 463867002 /nfs/dbraw/zinc/86/70/02/463867002.db2.gz SAUHLQPFXHCOFG-HOCLYGCPSA-N 2 1 349.910 2.035 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000171724257 463913682 /nfs/dbraw/zinc/91/36/82/463913682.db2.gz QWXAMRPWJNJPED-IXDOHACOSA-N 2 1 336.524 2.302 20 30 EEEDMP CCOc1ccc([C@@H]2C[C@H]2NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000280564396 464218146 /nfs/dbraw/zinc/21/81/46/464218146.db2.gz KVKOBKZLAISKDM-RYQLBKOJSA-N 2 1 330.476 2.330 20 30 EEEDMP C=C(C)CNC(=[NH2+])NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000264058987 464277072 /nfs/dbraw/zinc/27/70/72/464277072.db2.gz BZXGAAFYMSGIGB-IYBDPMFKSA-N 2 1 330.476 2.276 20 30 EEEDMP CCN(CC)C(=[NH2+])NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000264088774 464282336 /nfs/dbraw/zinc/28/23/36/464282336.db2.gz KGJXTUBPHVYDMP-GOSISDBHSA-N 2 1 331.508 2.022 20 30 EEEDMP CCN(CC)C(=[NH2+])NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000264088774 464282340 /nfs/dbraw/zinc/28/23/40/464282340.db2.gz KGJXTUBPHVYDMP-GOSISDBHSA-N 2 1 331.508 2.022 20 30 EEEDMP CCN(CC)C(=[NH2+])NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000264088774 464282345 /nfs/dbraw/zinc/28/23/45/464282345.db2.gz KGJXTUBPHVYDMP-GOSISDBHSA-N 2 1 331.508 2.022 20 30 EEEDMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1C#N ZINC000281850333 464607500 /nfs/dbraw/zinc/60/75/00/464607500.db2.gz ZDWCYGFSFCUGBD-MOPGFXCFSA-N 2 1 343.471 2.424 20 30 EEEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248603052 464771228 /nfs/dbraw/zinc/77/12/28/464771228.db2.gz VPLQOTCIHHJMGL-TXPKVOOTSA-N 2 1 334.508 2.283 20 30 EEEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248603052 464771231 /nfs/dbraw/zinc/77/12/31/464771231.db2.gz VPLQOTCIHHJMGL-TXPKVOOTSA-N 2 1 334.508 2.283 20 30 EEEDMP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC000329936130 465479512 /nfs/dbraw/zinc/47/95/12/465479512.db2.gz CWIGFLVQRXZFBG-NVXWUHKLSA-N 2 1 345.491 2.023 20 30 EEEDMP Cc1nccn1CCC[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000299559436 465801395 /nfs/dbraw/zinc/80/13/95/465801395.db2.gz GOMZPIILIUOQIQ-OAHLLOKOSA-N 2 1 343.456 2.252 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000299559436 465801415 /nfs/dbraw/zinc/80/14/15/465801415.db2.gz GOMZPIILIUOQIQ-OAHLLOKOSA-N 2 1 343.456 2.252 20 30 EEEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000424156253 466991723 /nfs/dbraw/zinc/99/17/23/466991723.db2.gz OFHLBTYFLVRWHQ-HOCLYGCPSA-N 2 1 334.489 2.097 20 30 EEEDMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424156733 466992159 /nfs/dbraw/zinc/99/21/59/466992159.db2.gz ORWDHFYAXAANHL-LJQANCHMSA-N 2 1 342.487 2.378 20 30 EEEDMP C[C@H](c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1)[NH+]1CCOCC1 ZINC000424164506 466993895 /nfs/dbraw/zinc/99/38/95/466993895.db2.gz ZLJRMBFCFMMUDZ-PBHICJAKSA-N 2 1 330.432 2.039 20 30 EEEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000598721120 468973710 /nfs/dbraw/zinc/97/37/10/468973710.db2.gz SLHPQFCULYMEST-RBUKOAKNSA-N 2 1 329.488 2.441 20 30 EEEDMP Cc1cc(N[C@H](C)CC[NH+](C)C)c(C#N)c(N[C@H](C)CC[NH+](C)C)[nH+]1 ZINC000596097141 469153539 /nfs/dbraw/zinc/15/35/39/469153539.db2.gz FEIRXGMTISPAHP-HUUCEWRRSA-N 3 1 346.523 2.766 20 30 EEEDMP Cc1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000618752544 469438289 /nfs/dbraw/zinc/43/82/89/469438289.db2.gz DSGMWHYIJIWLOG-FQEVSTJZSA-N 2 1 326.488 2.467 20 30 EEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634712792 470284667 /nfs/dbraw/zinc/28/46/67/470284667.db2.gz LWUURNOHVCUTIH-SLFFLAALSA-N 2 1 330.472 2.194 20 30 EEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712792 470284669 /nfs/dbraw/zinc/28/46/69/470284669.db2.gz LWUURNOHVCUTIH-SLFFLAALSA-N 2 1 330.472 2.194 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000171714684 526443161 /nfs/dbraw/zinc/44/31/61/526443161.db2.gz AXJMDSGYODDPNF-IBGZPJMESA-N 2 1 327.472 2.418 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000171603403 526589986 /nfs/dbraw/zinc/58/99/86/526589986.db2.gz HFTDVQPLILTPAK-HNNXBMFYSA-N 2 1 333.480 2.167 20 30 EEEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000732229486 577158647 /nfs/dbraw/zinc/15/86/47/577158647.db2.gz AVWQFVHGEAKTLB-AEFFLSMTSA-N 2 1 331.460 2.304 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000733277083 577218406 /nfs/dbraw/zinc/21/84/06/577218406.db2.gz XKYJGUITGYHFDD-FQEVSTJZSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000733277083 577218409 /nfs/dbraw/zinc/21/84/09/577218409.db2.gz XKYJGUITGYHFDD-FQEVSTJZSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039211525 676141022 /nfs/dbraw/zinc/14/10/22/676141022.db2.gz BEYSJGMRGBJTHO-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039211525 676141023 /nfs/dbraw/zinc/14/10/23/676141023.db2.gz BEYSJGMRGBJTHO-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039211525 676141024 /nfs/dbraw/zinc/14/10/24/676141024.db2.gz BEYSJGMRGBJTHO-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039135200 675636364 /nfs/dbraw/zinc/63/63/64/675636364.db2.gz YXOGTNAADVQYPV-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039135200 675636365 /nfs/dbraw/zinc/63/63/65/675636365.db2.gz YXOGTNAADVQYPV-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039135200 675636366 /nfs/dbraw/zinc/63/63/66/675636366.db2.gz YXOGTNAADVQYPV-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCC)CC[C@H]32)CC1 ZINC001021740223 676399115 /nfs/dbraw/zinc/39/91/15/676399115.db2.gz RSPFTZCZPCSTRP-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC(C)C)CC[C@H]32)CC1 ZINC001021740188 676399361 /nfs/dbraw/zinc/39/93/61/676399361.db2.gz RCMBDWZJSBFDSF-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001022071683 676635797 /nfs/dbraw/zinc/63/57/97/676635797.db2.gz YCZDAPLTWNUQGJ-OTWHNJEPSA-N 2 1 340.471 2.168 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC000972330078 678550740 /nfs/dbraw/zinc/55/07/40/678550740.db2.gz DFTIKTBMIIYSOZ-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC000972330078 678550744 /nfs/dbraw/zinc/55/07/44/678550744.db2.gz DFTIKTBMIIYSOZ-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC000972330078 678550747 /nfs/dbraw/zinc/55/07/47/678550747.db2.gz DFTIKTBMIIYSOZ-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000972330078 678550751 /nfs/dbraw/zinc/55/07/51/678550751.db2.gz DFTIKTBMIIYSOZ-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024570203 681211558 /nfs/dbraw/zinc/21/15/58/681211558.db2.gz JUEJFRLSOLRNSD-SFHVURJKSA-N 2 1 327.472 2.008 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982831790 681352876 /nfs/dbraw/zinc/35/28/76/681352876.db2.gz REEUUUPQINVOGS-BGYRXZFFSA-N 2 1 331.504 2.056 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001024901627 681561571 /nfs/dbraw/zinc/56/15/71/681561571.db2.gz YNQIGGAZMCRPLS-PBHICJAKSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025288975 682397530 /nfs/dbraw/zinc/39/75/30/682397530.db2.gz NVTPCMDRJMUNLJ-OALUTQOASA-N 2 1 340.471 2.240 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@@H+]2CCF)CC1 ZINC001025302125 682407893 /nfs/dbraw/zinc/40/78/93/682407893.db2.gz RWCPOWPHBLSHMF-OALUTQOASA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001029004305 682650258 /nfs/dbraw/zinc/65/02/58/682650258.db2.gz VIFWCNOLPFOULJ-LJQANCHMSA-N 2 1 343.515 2.270 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC000978708407 693824087 /nfs/dbraw/zinc/82/40/87/693824087.db2.gz ITZGDNNYJNQQLJ-OWZKRDHZSA-N 2 1 341.499 2.274 20 30 EEEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001026547963 684731914 /nfs/dbraw/zinc/73/19/14/684731914.db2.gz JQFGYCRGLVEDCX-FAFZWHIHSA-N 2 1 331.504 2.434 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000979083752 694166795 /nfs/dbraw/zinc/16/67/95/694166795.db2.gz ZTBKCSJZVNVTDD-NNZMDNLPSA-N 2 1 347.890 2.408 20 30 EEEDMP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986353846 688503849 /nfs/dbraw/zinc/50/38/49/688503849.db2.gz JPKAMCJKXMMZKD-BEFAXECRSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N1CCCC1 ZINC000264098835 691482257 /nfs/dbraw/zinc/48/22/57/691482257.db2.gz MNJLOHOJWUVWMD-HZPDHXFCSA-N 2 1 349.548 2.274 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N1CCCC1 ZINC000264098835 691482259 /nfs/dbraw/zinc/48/22/59/691482259.db2.gz MNJLOHOJWUVWMD-HZPDHXFCSA-N 2 1 349.548 2.274 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989616594 692081445 /nfs/dbraw/zinc/08/14/45/692081445.db2.gz XSKLBJSVOHIWFT-ZFWWWQNUSA-N 2 1 345.834 2.212 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001027577144 693197239 /nfs/dbraw/zinc/19/72/39/693197239.db2.gz FXSYTNACJKNFRD-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001027577144 693197244 /nfs/dbraw/zinc/19/72/44/693197244.db2.gz FXSYTNACJKNFRD-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978411264 693574014 /nfs/dbraw/zinc/57/40/14/693574014.db2.gz KIWQHUHLGWVAMT-WCXIOVBPSA-N 2 1 339.911 2.153 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978411264 693574017 /nfs/dbraw/zinc/57/40/17/693574017.db2.gz KIWQHUHLGWVAMT-WCXIOVBPSA-N 2 1 339.911 2.153 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978411264 693574020 /nfs/dbraw/zinc/57/40/20/693574020.db2.gz KIWQHUHLGWVAMT-WCXIOVBPSA-N 2 1 339.911 2.153 20 30 EEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001755184660 1181548334 /nfs/dbraw/zinc/54/83/34/1181548334.db2.gz BINBIAZTPRNCSF-UHFFFAOYSA-N 2 1 333.520 2.446 20 30 EEEDMP C[N@@H+](CC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001481644232 1182041902 /nfs/dbraw/zinc/04/19/02/1182041902.db2.gz CLVXTWKAACTGFW-UHFFFAOYSA-N 2 1 342.487 2.084 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001755458417 1185532586 /nfs/dbraw/zinc/53/25/86/1185532586.db2.gz FUKBGZXFLKHGQX-UHFFFAOYSA-N 2 1 331.504 2.200 20 30 EEEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272808930 1193529459 /nfs/dbraw/zinc/52/94/59/1193529459.db2.gz QNWSADMANTXOEK-IBGZPJMESA-N 2 1 328.460 2.275 20 30 EEEDMP C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272808930 1193529460 /nfs/dbraw/zinc/52/94/60/1193529460.db2.gz QNWSADMANTXOEK-IBGZPJMESA-N 2 1 328.460 2.275 20 30 EEEDMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001272887371 1193592504 /nfs/dbraw/zinc/59/25/04/1193592504.db2.gz CQZVHLGXYFLEAB-FQEVSTJZSA-N 2 1 346.519 2.337 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001483950825 1191129309 /nfs/dbraw/zinc/12/93/09/1191129309.db2.gz SKHOBSISGBLPCA-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP C=C(Cl)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033836878 1195353900 /nfs/dbraw/zinc/35/39/00/1195353900.db2.gz FKYPSGJVQSMMCC-HRCADAONSA-N 2 1 327.900 2.392 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034139187 1195811464 /nfs/dbraw/zinc/81/14/64/1195811464.db2.gz SJSGOLLJAIWSFR-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001034139187 1195811466 /nfs/dbraw/zinc/81/14/66/1195811466.db2.gz SJSGOLLJAIWSFR-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001034139187 1195811468 /nfs/dbraw/zinc/81/14/68/1195811468.db2.gz SJSGOLLJAIWSFR-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](C)CC1(C[N@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)CCCC1 ZINC001273135862 1196360412 /nfs/dbraw/zinc/36/04/12/1196360412.db2.gz JJAAWDPOVQAPFN-FQEVSTJZSA-N 2 1 346.519 2.337 20 30 EEEDMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144479 1197014794 /nfs/dbraw/zinc/01/47/94/1197014794.db2.gz QGNTZQFXHZXTEL-ICSRJNTNSA-N 2 1 346.519 2.337 20 30 EEEDMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144479 1197014799 /nfs/dbraw/zinc/01/47/99/1197014799.db2.gz QGNTZQFXHZXTEL-ICSRJNTNSA-N 2 1 346.519 2.337 20 30 EEEDMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144479 1197014803 /nfs/dbraw/zinc/01/48/03/1197014803.db2.gz QGNTZQFXHZXTEL-ICSRJNTNSA-N 2 1 346.519 2.337 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525748 1199822075 /nfs/dbraw/zinc/82/20/75/1199822075.db2.gz UZRAASFHHGXNGZ-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001132933580 1200210673 /nfs/dbraw/zinc/21/06/73/1200210673.db2.gz ROEVLSHHSMHOIF-CVEARBPZSA-N 2 1 348.491 2.390 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133146442 1200519612 /nfs/dbraw/zinc/51/96/12/1200519612.db2.gz JTYDAWSXVKENAH-ROUUACIJSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000883131169 1202017978 /nfs/dbraw/zinc/01/79/78/1202017978.db2.gz LASVTSPTGULACZ-UHFFFAOYSA-N 2 1 344.411 2.273 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000883131169 1202017983 /nfs/dbraw/zinc/01/79/83/1202017983.db2.gz LASVTSPTGULACZ-UHFFFAOYSA-N 2 1 344.411 2.273 20 30 EEEDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC000931441164 1207381829 /nfs/dbraw/zinc/38/18/29/1207381829.db2.gz OUCSSXUDCIOACC-CABCVRRESA-N 2 1 346.862 2.424 20 30 EEEDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC000931441164 1207381831 /nfs/dbraw/zinc/38/18/31/1207381831.db2.gz OUCSSXUDCIOACC-CABCVRRESA-N 2 1 346.862 2.424 20 30 EEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC000931441164 1207381832 /nfs/dbraw/zinc/38/18/32/1207381832.db2.gz OUCSSXUDCIOACC-CABCVRRESA-N 2 1 346.862 2.424 20 30 EEEDMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1C#N ZINC000948039698 1208835476 /nfs/dbraw/zinc/83/54/76/1208835476.db2.gz JWHOXYZXDVDANX-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770073 1209363849 /nfs/dbraw/zinc/36/38/49/1209363849.db2.gz FKLGBFPAVQMURM-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770073 1209363852 /nfs/dbraw/zinc/36/38/52/1209363852.db2.gz FKLGBFPAVQMURM-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195165286 1211331179 /nfs/dbraw/zinc/33/11/79/1211331179.db2.gz QZLIFWYGZSXVES-KRWDZBQOSA-N 2 1 326.444 2.467 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1ccc2ccccc21 ZINC000303778323 1213905427 /nfs/dbraw/zinc/90/54/27/1213905427.db2.gz JMFBSLPIEIUONH-KRWDZBQOSA-N 2 1 327.476 2.420 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)COCc1ccccc1 ZINC000303876275 1213917617 /nfs/dbraw/zinc/91/76/17/1213917617.db2.gz IBFWFPXRWLEZTC-SJLPKXTDSA-N 2 1 332.492 2.228 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552393 1215203854 /nfs/dbraw/zinc/20/38/54/1215203854.db2.gz NAYFOBSQARTMSW-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)CC1 ZINC000957621054 1215264277 /nfs/dbraw/zinc/26/42/77/1215264277.db2.gz VJUVIGSDYMWOMJ-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC000957645301 1215292947 /nfs/dbraw/zinc/29/29/47/1215292947.db2.gz WCBSUSZLZDAURZ-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733726 1225604681 /nfs/dbraw/zinc/60/46/81/1225604681.db2.gz VODBQYHJSQVURX-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733726 1225604685 /nfs/dbraw/zinc/60/46/85/1225604685.db2.gz VODBQYHJSQVURX-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733726 1225604688 /nfs/dbraw/zinc/60/46/88/1225604688.db2.gz VODBQYHJSQVURX-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960292867 1216477493 /nfs/dbraw/zinc/47/74/93/1216477493.db2.gz YHJGBSORUDAHEI-VVLHAWIVSA-N 2 1 337.895 2.192 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960292867 1216477497 /nfs/dbraw/zinc/47/74/97/1216477497.db2.gz YHJGBSORUDAHEI-VVLHAWIVSA-N 2 1 337.895 2.192 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000960292867 1216477499 /nfs/dbraw/zinc/47/74/99/1216477499.db2.gz YHJGBSORUDAHEI-VVLHAWIVSA-N 2 1 337.895 2.192 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000960292867 1216477503 /nfs/dbraw/zinc/47/75/03/1216477503.db2.gz YHJGBSORUDAHEI-VVLHAWIVSA-N 2 1 337.895 2.192 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000961991572 1217439364 /nfs/dbraw/zinc/43/93/64/1217439364.db2.gz FVCJDUOSCHKXLT-ACBHZAAOSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963357820 1217552617 /nfs/dbraw/zinc/55/26/17/1217552617.db2.gz AGKNTCVXSBPHFO-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963357820 1217552618 /nfs/dbraw/zinc/55/26/18/1217552618.db2.gz AGKNTCVXSBPHFO-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963357820 1217552623 /nfs/dbraw/zinc/55/26/23/1217552623.db2.gz AGKNTCVXSBPHFO-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390963 1217587650 /nfs/dbraw/zinc/58/76/50/1217587650.db2.gz PLGCKMJFWOXXKF-WMZOPIPTSA-N 2 1 340.471 2.097 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000963902519 1218114444 /nfs/dbraw/zinc/11/44/44/1218114444.db2.gz KPEMDZPNMKTEME-KLAILNCOSA-N 2 1 330.476 2.299 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC000968888771 1221647802 /nfs/dbraw/zinc/64/78/02/1221647802.db2.gz ZJUCCSLZDZVYDJ-SJORKVTESA-N 2 1 328.460 2.145 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888771 1221647805 /nfs/dbraw/zinc/64/78/05/1221647805.db2.gz ZJUCCSLZDZVYDJ-SJORKVTESA-N 2 1 328.460 2.145 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888771 1221647808 /nfs/dbraw/zinc/64/78/08/1221647808.db2.gz ZJUCCSLZDZVYDJ-SJORKVTESA-N 2 1 328.460 2.145 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969108623 1221815742 /nfs/dbraw/zinc/81/57/42/1221815742.db2.gz HIIFOCADHHCFTP-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016860994 1226928284 /nfs/dbraw/zinc/92/82/84/1226928284.db2.gz MDZJNILNUDTGFA-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001017767154 1227711224 /nfs/dbraw/zinc/71/12/24/1227711224.db2.gz JCVARWBZAYOSHJ-KDURUIRLSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182171 1230409556 /nfs/dbraw/zinc/40/95/56/1230409556.db2.gz KHGPJPLTWBEDLC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182171 1230409558 /nfs/dbraw/zinc/40/95/58/1230409558.db2.gz KHGPJPLTWBEDLC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182171 1230409560 /nfs/dbraw/zinc/40/95/60/1230409560.db2.gz KHGPJPLTWBEDLC-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095934765 1230910527 /nfs/dbraw/zinc/91/05/27/1230910527.db2.gz UABMSLSRBHNJSH-FPAYPSAMSA-N 2 1 342.487 2.442 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095934765 1230910530 /nfs/dbraw/zinc/91/05/30/1230910530.db2.gz UABMSLSRBHNJSH-FPAYPSAMSA-N 2 1 342.487 2.442 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542714 1231284152 /nfs/dbraw/zinc/28/41/52/1231284152.db2.gz CUDZTFTVDOGUMP-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040912548 1231402744 /nfs/dbraw/zinc/40/27/44/1231402744.db2.gz QHGRDQLSMCYHFD-INIZCTEOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285146 1231494874 /nfs/dbraw/zinc/49/48/74/1231494874.db2.gz AZMBABZWFLDSPJ-ICSRJNTNSA-N 2 1 331.504 2.219 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041743484 1231671402 /nfs/dbraw/zinc/67/14/02/1231671402.db2.gz LMLUVKLXTRZZRA-HXUWFJFHSA-N 2 1 327.472 2.472 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845923 1231728730 /nfs/dbraw/zinc/72/87/30/1231728730.db2.gz RVXLSXJXFGDVOM-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042124440 1231905181 /nfs/dbraw/zinc/90/51/81/1231905181.db2.gz GGRCEWHGOUZEGS-FUHWJXTLSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042124440 1231905182 /nfs/dbraw/zinc/90/51/82/1231905182.db2.gz GGRCEWHGOUZEGS-FUHWJXTLSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042124440 1231905184 /nfs/dbraw/zinc/90/51/84/1231905184.db2.gz GGRCEWHGOUZEGS-FUHWJXTLSA-N 2 1 331.504 2.195 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC001042157537 1231925514 /nfs/dbraw/zinc/92/55/14/1231925514.db2.gz RJCNZAHZPZCCLO-QFBILLFUSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC001042157537 1231925517 /nfs/dbraw/zinc/92/55/17/1231925517.db2.gz RJCNZAHZPZCCLO-QFBILLFUSA-N 2 1 342.487 2.261 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC4CCC4)[C@H]3C2)CC1 ZINC001042367610 1232049647 /nfs/dbraw/zinc/04/96/47/1232049647.db2.gz ITAJCGSTYKOAPN-QUCCMNQESA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCC(=C)C)[C@H]3C2)CC1 ZINC001042369462 1232050824 /nfs/dbraw/zinc/05/08/24/1232050824.db2.gz YJTAEXLPRJJXMK-QUCCMNQESA-N 2 1 343.515 2.221 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045942583 1234200917 /nfs/dbraw/zinc/20/09/17/1234200917.db2.gz VGDUAVSIEQUCTL-UYAOXDASSA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045942844 1234201568 /nfs/dbraw/zinc/20/15/68/1234201568.db2.gz BEIHJXMOMTVGCD-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046618247 1235001356 /nfs/dbraw/zinc/00/13/56/1235001356.db2.gz CSTHBXYFISRGNW-FQEVSTJZSA-N 2 1 327.472 2.008 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048525657 1237863168 /nfs/dbraw/zinc/86/31/68/1237863168.db2.gz DBOIUFBSQUEDCI-FCGDIQPGSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048525657 1237863178 /nfs/dbraw/zinc/86/31/78/1237863178.db2.gz DBOIUFBSQUEDCI-FCGDIQPGSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048525657 1237863188 /nfs/dbraw/zinc/86/31/88/1237863188.db2.gz DBOIUFBSQUEDCI-FCGDIQPGSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583661 1238024720 /nfs/dbraw/zinc/02/47/20/1238024720.db2.gz QDLWFSPQBPASBJ-ZSXDVEMLSA-N 2 1 331.504 2.099 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768679 1242137311 /nfs/dbraw/zinc/13/73/11/1242137311.db2.gz YMOZZFCMVYTGNK-OTWHNJEPSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049768679 1242137323 /nfs/dbraw/zinc/13/73/23/1242137323.db2.gz YMOZZFCMVYTGNK-OTWHNJEPSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049768679 1242137327 /nfs/dbraw/zinc/13/73/27/1242137327.db2.gz YMOZZFCMVYTGNK-OTWHNJEPSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC=C(C)C)CC1 ZINC001096605496 1242778937 /nfs/dbraw/zinc/77/89/37/1242778937.db2.gz RPUGGEFLHDDAEK-QYZOEREBSA-N 2 1 329.488 2.019 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001050181983 1243064330 /nfs/dbraw/zinc/06/43/30/1243064330.db2.gz NTLFXZUAAQGVDY-RBUKOAKNSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001050207427 1243122802 /nfs/dbraw/zinc/12/28/02/1243122802.db2.gz QLILVBCYXGNKHP-VQTJNVASSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050333630 1243368981 /nfs/dbraw/zinc/36/89/81/1243368981.db2.gz YAKFCRSFKGUBSE-FHWLQOOXSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050333630 1243368988 /nfs/dbraw/zinc/36/89/88/1243368988.db2.gz YAKFCRSFKGUBSE-FHWLQOOXSA-N 2 1 331.504 2.149 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097556243 1244357235 /nfs/dbraw/zinc/35/72/35/1244357235.db2.gz QIPTXQXPEJMSBK-SUMDDJOVSA-N 2 1 342.487 2.450 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097556243 1244357245 /nfs/dbraw/zinc/35/72/45/1244357245.db2.gz QIPTXQXPEJMSBK-SUMDDJOVSA-N 2 1 342.487 2.450 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097854632 1244690750 /nfs/dbraw/zinc/69/07/50/1244690750.db2.gz NBTIUTOANYSDRY-AQNXPRMDSA-N 2 1 339.483 2.149 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857833 1245397160 /nfs/dbraw/zinc/39/71/60/1245397160.db2.gz VIVNQVSBTIRIEQ-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCCCC)C[C@@]2(C)C1 ZINC001101270312 1245597444 /nfs/dbraw/zinc/59/74/44/1245597444.db2.gz KECAAVDFHXNARO-DYXWJJEUSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCCCC)C[C@@]2(C)C1 ZINC001101270312 1245597451 /nfs/dbraw/zinc/59/74/51/1245597451.db2.gz KECAAVDFHXNARO-DYXWJJEUSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCCCC)C[C@@]2(C)C1 ZINC001101270312 1245597460 /nfs/dbraw/zinc/59/74/60/1245597460.db2.gz KECAAVDFHXNARO-DYXWJJEUSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCCCC)C[C@@]2(C)C1 ZINC001101270312 1245597466 /nfs/dbraw/zinc/59/74/66/1245597466.db2.gz KECAAVDFHXNARO-DYXWJJEUSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107310 1245926118 /nfs/dbraw/zinc/92/61/18/1245926118.db2.gz DWTIKGFZBUFLCL-OALUTQOASA-N 2 1 342.487 2.308 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107310 1245926124 /nfs/dbraw/zinc/92/61/24/1245926124.db2.gz DWTIKGFZBUFLCL-OALUTQOASA-N 2 1 342.487 2.308 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054042425 1247206814 /nfs/dbraw/zinc/20/68/14/1247206814.db2.gz YNUYQHYQRXKVGA-ATZDWAIDSA-N 2 1 327.472 2.056 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042425 1247206830 /nfs/dbraw/zinc/20/68/30/1247206830.db2.gz YNUYQHYQRXKVGA-ATZDWAIDSA-N 2 1 327.472 2.056 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042425 1247206839 /nfs/dbraw/zinc/20/68/39/1247206839.db2.gz YNUYQHYQRXKVGA-ATZDWAIDSA-N 2 1 327.472 2.056 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042425 1247206848 /nfs/dbraw/zinc/20/68/48/1247206848.db2.gz YNUYQHYQRXKVGA-ATZDWAIDSA-N 2 1 327.472 2.056 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054190046 1247662932 /nfs/dbraw/zinc/66/29/32/1247662932.db2.gz BPSSLNSXUUUMKK-GOSISDBHSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@H+](CC(=C)C)C3)C2)CC1 ZINC001054245309 1247862255 /nfs/dbraw/zinc/86/22/55/1247862255.db2.gz REUWRUIVCWWPFO-OAQYLSRUSA-N 2 1 343.515 2.222 20 30 EEEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)c3c[nH+]ccc3N(C)C)cc2C1 ZINC001054290903 1248025029 /nfs/dbraw/zinc/02/50/29/1248025029.db2.gz ZXOHMBPQFPYJPV-UHFFFAOYSA-N 2 1 348.450 2.417 20 30 EEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001073118315 1255700242 /nfs/dbraw/zinc/70/02/42/1255700242.db2.gz OENMMFCBHFPPHM-IBGZPJMESA-N 2 1 327.472 2.184 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098958850 1257878190 /nfs/dbraw/zinc/87/81/90/1257878190.db2.gz CVTNIUMQGJRLPU-BJLQDIEVSA-N 2 1 331.504 2.408 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001188145056 1279776857 /nfs/dbraw/zinc/77/68/57/1279776857.db2.gz CNKLEXVJXYNBCG-GOSISDBHSA-N 2 1 347.890 2.222 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189432564 1280310773 /nfs/dbraw/zinc/31/07/73/1280310773.db2.gz FDLDPGJIMIYRAM-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189432564 1280310783 /nfs/dbraw/zinc/31/07/83/1280310783.db2.gz FDLDPGJIMIYRAM-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655903 1280997749 /nfs/dbraw/zinc/99/77/49/1280997749.db2.gz QYLMNARSBOUPHJ-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655903 1280997754 /nfs/dbraw/zinc/99/77/54/1280997754.db2.gz QYLMNARSBOUPHJ-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655903 1280997757 /nfs/dbraw/zinc/99/77/57/1280997757.db2.gz QYLMNARSBOUPHJ-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001192959459 1282245902 /nfs/dbraw/zinc/24/59/02/1282245902.db2.gz JBBDCBNTOZAABS-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001192959459 1282245911 /nfs/dbraw/zinc/24/59/11/1282245911.db2.gz JBBDCBNTOZAABS-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488236 1282532002 /nfs/dbraw/zinc/53/20/02/1282532002.db2.gz NLIIKWGZOMVHQV-KRWDZBQOSA-N 2 1 327.513 2.068 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193622695 1282605482 /nfs/dbraw/zinc/60/54/82/1282605482.db2.gz RFDPWSPTMJESES-LJQANCHMSA-N 2 1 345.462 2.052 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193622695 1282605488 /nfs/dbraw/zinc/60/54/88/1282605488.db2.gz RFDPWSPTMJESES-LJQANCHMSA-N 2 1 345.462 2.052 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193622695 1282605500 /nfs/dbraw/zinc/60/55/00/1282605500.db2.gz RFDPWSPTMJESES-LJQANCHMSA-N 2 1 345.462 2.052 20 30 EEEDMP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193630420 1282612673 /nfs/dbraw/zinc/61/26/73/1282612673.db2.gz JMAGREGMGOQGDZ-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193630420 1282612684 /nfs/dbraw/zinc/61/26/84/1282612684.db2.gz JMAGREGMGOQGDZ-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193630420 1282612698 /nfs/dbraw/zinc/61/26/98/1282612698.db2.gz JMAGREGMGOQGDZ-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193630420 1282612714 /nfs/dbraw/zinc/61/27/14/1282612714.db2.gz JMAGREGMGOQGDZ-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313543 1284933497 /nfs/dbraw/zinc/93/34/97/1284933497.db2.gz SOGFROUNAHSKNB-LJQANCHMSA-N 2 1 327.472 2.283 20 30 EEEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198740352 1285312340 /nfs/dbraw/zinc/31/23/40/1285312340.db2.gz CVJLDQBGONSXOL-JFIYKMOQSA-N 2 1 345.487 2.358 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110565927 1289564240 /nfs/dbraw/zinc/56/42/40/1289564240.db2.gz RXYJSHAXPKZRQN-KURKYZTESA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCCO1 ZINC001201547336 1289643888 /nfs/dbraw/zinc/64/38/88/1289643888.db2.gz QVNZIUWEPRFSCB-KRWDZBQOSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765162 1296162886 /nfs/dbraw/zinc/16/28/86/1296162886.db2.gz WWEJMWPGFITRKA-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765162 1296162892 /nfs/dbraw/zinc/16/28/92/1296162892.db2.gz WWEJMWPGFITRKA-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072812025 1296170757 /nfs/dbraw/zinc/17/07/57/1296170757.db2.gz PTYJZXIKYGTOOU-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072812025 1296170761 /nfs/dbraw/zinc/17/07/61/1296170761.db2.gz PTYJZXIKYGTOOU-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072812025 1296170767 /nfs/dbraw/zinc/17/07/67/1296170767.db2.gz PTYJZXIKYGTOOU-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001073454885 1297079867 /nfs/dbraw/zinc/07/98/67/1297079867.db2.gz UCUMOSFWMWJJKE-UHFFFAOYSA-N 2 1 327.472 2.472 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099271485 1298994330 /nfs/dbraw/zinc/99/43/30/1298994330.db2.gz WFSHDXQHXFQTDQ-MCIONIFRSA-N 2 1 333.398 2.026 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001221941125 1299215509 /nfs/dbraw/zinc/21/55/09/1299215509.db2.gz WOXQEMQEUGXWFM-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001224559981 1300647728 /nfs/dbraw/zinc/64/77/28/1300647728.db2.gz RMDZKMGASQUIJO-GOSISDBHSA-N 2 1 325.472 2.213 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001224569346 1300653860 /nfs/dbraw/zinc/65/38/60/1300653860.db2.gz MCDPOVIXVNITRU-UHFFFAOYSA-N 2 1 341.499 2.012 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001224746786 1300724031 /nfs/dbraw/zinc/72/40/31/1300724031.db2.gz VUUHECDJRJYPKY-UHFFFAOYSA-N 2 1 330.476 2.248 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C#N)c3F)C[C@H]2CC1 ZINC001277007077 1300782614 /nfs/dbraw/zinc/78/26/14/1300782614.db2.gz KSHXISGTJRZIAD-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3F)C[C@H]2CC1 ZINC001277007077 1300782623 /nfs/dbraw/zinc/78/26/23/1300782623.db2.gz KSHXISGTJRZIAD-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3F)C[C@H]2CC1 ZINC001277007077 1300782630 /nfs/dbraw/zinc/78/26/30/1300782630.db2.gz KSHXISGTJRZIAD-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3F)C[C@H]2CC1 ZINC001277007077 1300782639 /nfs/dbraw/zinc/78/26/39/1300782639.db2.gz KSHXISGTJRZIAD-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3F)C[C@H]2CC1 ZINC001277007077 1300782642 /nfs/dbraw/zinc/78/26/42/1300782642.db2.gz KSHXISGTJRZIAD-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846381 1303497536 /nfs/dbraw/zinc/49/75/36/1303497536.db2.gz HNWQWCLGYSELGY-MJGOQNOKSA-N 2 1 344.503 2.164 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846381 1303497538 /nfs/dbraw/zinc/49/75/38/1303497538.db2.gz HNWQWCLGYSELGY-MJGOQNOKSA-N 2 1 344.503 2.164 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846381 1303497540 /nfs/dbraw/zinc/49/75/40/1303497540.db2.gz HNWQWCLGYSELGY-MJGOQNOKSA-N 2 1 344.503 2.164 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846382 1303497707 /nfs/dbraw/zinc/49/77/07/1303497707.db2.gz HNWQWCLGYSELGY-PKOBYXMFSA-N 2 1 344.503 2.164 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846382 1303497708 /nfs/dbraw/zinc/49/77/08/1303497708.db2.gz HNWQWCLGYSELGY-PKOBYXMFSA-N 2 1 344.503 2.164 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846382 1303497710 /nfs/dbraw/zinc/49/77/10/1303497710.db2.gz HNWQWCLGYSELGY-PKOBYXMFSA-N 2 1 344.503 2.164 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)C[N@@H+]1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846799 1303498627 /nfs/dbraw/zinc/49/86/27/1303498627.db2.gz XQJGSIHRDJJNBJ-SFHVURJKSA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)C[NH+]1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846799 1303498628 /nfs/dbraw/zinc/49/86/28/1303498628.db2.gz XQJGSIHRDJJNBJ-SFHVURJKSA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)C[NH+]1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846799 1303498630 /nfs/dbraw/zinc/49/86/30/1303498630.db2.gz XQJGSIHRDJJNBJ-SFHVURJKSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCCC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccnc1 ZINC001230918022 1303546013 /nfs/dbraw/zinc/54/60/13/1303546013.db2.gz GAEDDWJTNUWPFV-IBGZPJMESA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCCC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230918022 1303546014 /nfs/dbraw/zinc/54/60/14/1303546014.db2.gz GAEDDWJTNUWPFV-IBGZPJMESA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCCC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230918022 1303546015 /nfs/dbraw/zinc/54/60/15/1303546015.db2.gz GAEDDWJTNUWPFV-IBGZPJMESA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCOCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001235336945 1305196104 /nfs/dbraw/zinc/19/61/04/1305196104.db2.gz RAZFTOWQRUTQOM-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001235336945 1305196107 /nfs/dbraw/zinc/19/61/07/1305196107.db2.gz RAZFTOWQRUTQOM-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001235336945 1305196109 /nfs/dbraw/zinc/19/61/09/1305196109.db2.gz RAZFTOWQRUTQOM-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001235336945 1305196112 /nfs/dbraw/zinc/19/61/12/1305196112.db2.gz RAZFTOWQRUTQOM-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001235336945 1305196115 /nfs/dbraw/zinc/19/61/15/1305196115.db2.gz RAZFTOWQRUTQOM-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+]2CCCCC2)cc1C#N ZINC001278155087 1306126475 /nfs/dbraw/zinc/12/64/75/1306126475.db2.gz ZYPBVAKUDSKQSY-KDURUIRLSA-N 2 1 341.503 2.031 20 30 EEEDMP Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+]2CCCCC2)cc1C#N ZINC001278155087 1306126482 /nfs/dbraw/zinc/12/64/82/1306126482.db2.gz ZYPBVAKUDSKQSY-KDURUIRLSA-N 2 1 341.503 2.031 20 30 EEEDMP CCCCCCCC[C@H](CC)[NH2+]CCS(=O)(=O)N1CC[NH2+]CC1 ZINC001246098678 1310237066 /nfs/dbraw/zinc/23/70/66/1310237066.db2.gz CVCOWQFGVMAKFF-KRWDZBQOSA-N 2 1 347.569 2.340 20 30 EEEDMP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160866281 1320295943 /nfs/dbraw/zinc/29/59/43/1320295943.db2.gz AIFZMOAFAGVYQM-WOJBJXKFSA-N 2 1 339.483 2.151 20 30 EEEDMP CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386198 1316664299 /nfs/dbraw/zinc/66/42/99/1316664299.db2.gz DACXGCAHDRZCOM-APWZRJJASA-N 2 1 345.462 2.098 20 30 EEEDMP CC[NH+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152386198 1316664303 /nfs/dbraw/zinc/66/43/03/1316664303.db2.gz DACXGCAHDRZCOM-APWZRJJASA-N 2 1 345.462 2.098 20 30 EEEDMP CC[NH+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152386198 1316664306 /nfs/dbraw/zinc/66/43/06/1316664306.db2.gz DACXGCAHDRZCOM-APWZRJJASA-N 2 1 345.462 2.098 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824562 1316893636 /nfs/dbraw/zinc/89/36/36/1316893636.db2.gz UEUPHUKDMXTOIR-DNVCBOLYSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255279 1317525622 /nfs/dbraw/zinc/52/56/22/1317525622.db2.gz PTHVXFTXHZKJHQ-DLBZAZTESA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255279 1317525625 /nfs/dbraw/zinc/52/56/25/1317525625.db2.gz PTHVXFTXHZKJHQ-DLBZAZTESA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155255279 1317525628 /nfs/dbraw/zinc/52/56/28/1317525628.db2.gz PTHVXFTXHZKJHQ-DLBZAZTESA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155255279 1317525631 /nfs/dbraw/zinc/52/56/31/1317525631.db2.gz PTHVXFTXHZKJHQ-DLBZAZTESA-N 2 1 342.487 2.227 20 30 EEEDMP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252552426 1317634237 /nfs/dbraw/zinc/63/42/37/1317634237.db2.gz JSJCVDSBNIMDAW-RBUKOAKNSA-N 2 1 345.487 2.074 20 30 EEEDMP C=C[C@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001253576957 1317885193 /nfs/dbraw/zinc/88/51/93/1317885193.db2.gz JDIHHBIFTIOZJA-HOTGVXAUSA-N 2 1 336.501 2.350 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156201322 1317919192 /nfs/dbraw/zinc/91/91/92/1317919192.db2.gz ZLKNQYDEDVWIDG-CQSZACIVSA-N 2 1 336.505 2.288 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)s1 ZINC001156201322 1317919197 /nfs/dbraw/zinc/91/91/97/1317919197.db2.gz ZLKNQYDEDVWIDG-CQSZACIVSA-N 2 1 336.505 2.288 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)s1 ZINC001156201322 1317919202 /nfs/dbraw/zinc/91/92/02/1317919202.db2.gz ZLKNQYDEDVWIDG-CQSZACIVSA-N 2 1 336.505 2.288 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001157887033 1318918133 /nfs/dbraw/zinc/91/81/33/1318918133.db2.gz PTMVIUTUVVLCBZ-GOSISDBHSA-N 2 1 346.450 2.166 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)Cc1ccccc1 ZINC001158955144 1319526125 /nfs/dbraw/zinc/52/61/25/1319526125.db2.gz AHIHKVYBEUJMDO-HXUWFJFHSA-N 2 1 341.499 2.455 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158955144 1319526133 /nfs/dbraw/zinc/52/61/33/1319526133.db2.gz AHIHKVYBEUJMDO-HXUWFJFHSA-N 2 1 341.499 2.455 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158955144 1319526140 /nfs/dbraw/zinc/52/61/40/1319526140.db2.gz AHIHKVYBEUJMDO-HXUWFJFHSA-N 2 1 341.499 2.455 20 30 EEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001158955144 1319526146 /nfs/dbraw/zinc/52/61/46/1319526146.db2.gz AHIHKVYBEUJMDO-HXUWFJFHSA-N 2 1 341.499 2.455 20 30 EEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001158955144 1319526150 /nfs/dbraw/zinc/52/61/50/1319526150.db2.gz AHIHKVYBEUJMDO-HXUWFJFHSA-N 2 1 341.499 2.455 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001159911366 1320018872 /nfs/dbraw/zinc/01/88/72/1320018872.db2.gz XIIYFBUFUVOFAP-HNNXBMFYSA-N 2 1 348.516 2.479 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131249 1320078042 /nfs/dbraw/zinc/07/80/42/1320078042.db2.gz IKEFZZLWYNHLNJ-RTBURBONSA-N 2 1 329.488 2.023 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131249 1320078047 /nfs/dbraw/zinc/07/80/47/1320078047.db2.gz IKEFZZLWYNHLNJ-RTBURBONSA-N 2 1 329.488 2.023 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131249 1320078052 /nfs/dbraw/zinc/07/80/52/1320078052.db2.gz IKEFZZLWYNHLNJ-RTBURBONSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCc1cccc(C)c1 ZINC001160198245 1320096996 /nfs/dbraw/zinc/09/69/96/1320096996.db2.gz YGUUIVJYNCDKAU-FQEVSTJZSA-N 2 1 341.499 2.121 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCc1cccc(C)c1 ZINC001160198245 1320097001 /nfs/dbraw/zinc/09/70/01/1320097001.db2.gz YGUUIVJYNCDKAU-FQEVSTJZSA-N 2 1 341.499 2.121 20 30 EEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001160560141 1320197550 /nfs/dbraw/zinc/19/75/50/1320197550.db2.gz YBRPWWQCQCILRV-UHFFFAOYSA-N 2 1 332.448 2.064 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001160560141 1320197554 /nfs/dbraw/zinc/19/75/54/1320197554.db2.gz YBRPWWQCQCILRV-UHFFFAOYSA-N 2 1 332.448 2.064 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001161479260 1320513830 /nfs/dbraw/zinc/51/38/30/1320513830.db2.gz YINIPQKNICFJQH-UHFFFAOYSA-N 2 1 349.519 2.203 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001161479260 1320513833 /nfs/dbraw/zinc/51/38/33/1320513833.db2.gz YINIPQKNICFJQH-UHFFFAOYSA-N 2 1 349.519 2.203 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001161649346 1320570087 /nfs/dbraw/zinc/57/00/87/1320570087.db2.gz DCDKPJNLKQYLNO-LJQANCHMSA-N 2 1 342.487 2.275 20 30 EEEDMP CC#CC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578850 1321424075 /nfs/dbraw/zinc/42/40/75/1321424075.db2.gz WCQKGJRDNIIICB-MRXNPFEDSA-N 2 1 330.476 2.296 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(SC)cc2)CC1 ZINC001338491696 1336868169 /nfs/dbraw/zinc/86/81/69/1336868169.db2.gz MJICUNQVOBNIRQ-KRWDZBQOSA-N 2 1 348.512 2.226 20 30 EEEDMP C=CCCCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001574916143 1343711178 /nfs/dbraw/zinc/71/11/78/1343711178.db2.gz RYZYYOYUENFICD-DLBZAZTESA-N 2 1 346.523 2.242 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135029860 1367996881 /nfs/dbraw/zinc/99/68/81/1367996881.db2.gz TUGWNSUNSYWVSN-GJZGRUSLSA-N 2 1 339.443 2.136 20 30 EEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001100615068 1373097020 /nfs/dbraw/zinc/09/70/20/1373097020.db2.gz NEUFDSRZBXBDAX-CGZBRXJRSA-N 2 1 330.476 2.205 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH2+]Cc1ccc(C#N)s1)C(C)C ZINC001367496122 1374182811 /nfs/dbraw/zinc/18/28/11/1374182811.db2.gz WGEFWOBRNJQLNS-INIZCTEOSA-N 2 1 345.472 2.055 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[NH+]1C ZINC001368546347 1374431978 /nfs/dbraw/zinc/43/19/78/1374431978.db2.gz HGFIVFDVDKMKIU-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CN(CCC[NH+](C)Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001368546347 1374431981 /nfs/dbraw/zinc/43/19/81/1374431981.db2.gz HGFIVFDVDKMKIU-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CN(CCC[NH+](C)Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001368546347 1374431984 /nfs/dbraw/zinc/43/19/84/1374431984.db2.gz HGFIVFDVDKMKIU-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1ccc(C#N)cc1F ZINC001390977497 1388933679 /nfs/dbraw/zinc/93/36/79/1388933679.db2.gz SMCPEEZMKGFCNC-GOSISDBHSA-N 2 1 348.466 2.222 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1ccc(C#N)cc1F ZINC001390977497 1388933680 /nfs/dbraw/zinc/93/36/80/1388933680.db2.gz SMCPEEZMKGFCNC-GOSISDBHSA-N 2 1 348.466 2.222 20 30 EEEDMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001394131364 1390627193 /nfs/dbraw/zinc/62/71/93/1390627193.db2.gz XOIMHEWGIDTULH-QGZVFWFLSA-N 2 1 342.487 2.227 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001403078214 1398342391 /nfs/dbraw/zinc/34/23/91/1398342391.db2.gz JZHAIBAGTVWENQ-GOSISDBHSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001755161998 1407170260 /nfs/dbraw/zinc/17/02/60/1407170260.db2.gz PCWOUFUWRFROPM-LSDHHAIUSA-N 2 1 334.464 2.285 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001755161998 1407170264 /nfs/dbraw/zinc/17/02/64/1407170264.db2.gz PCWOUFUWRFROPM-LSDHHAIUSA-N 2 1 334.464 2.285 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC#Cc1ccccc1 ZINC001755201362 1407209773 /nfs/dbraw/zinc/20/97/73/1407209773.db2.gz QJPRIPDXKVMYAZ-FQEVSTJZSA-N 2 1 341.499 2.303 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC#Cc1ccccc1 ZINC001755201362 1407209777 /nfs/dbraw/zinc/20/97/77/1407209777.db2.gz QJPRIPDXKVMYAZ-FQEVSTJZSA-N 2 1 341.499 2.303 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC#Cc1ccccc1 ZINC001755201362 1407209789 /nfs/dbraw/zinc/20/97/89/1407209789.db2.gz QJPRIPDXKVMYAZ-FQEVSTJZSA-N 2 1 341.499 2.303 20 30 EEEDMP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC001575048579 1403532324 /nfs/dbraw/zinc/53/23/24/1403532324.db2.gz KSJDMYTVNYSSFK-CABCVRRESA-N 2 1 332.423 2.132 20 30 EEEDMP C#CCC[N@@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001755529778 1407593514 /nfs/dbraw/zinc/59/35/14/1407593514.db2.gz IIEZOMPKNIJMRF-INIZCTEOSA-N 2 1 330.476 2.343 20 30 EEEDMP C#CCC[N@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001755529778 1407593518 /nfs/dbraw/zinc/59/35/18/1407593518.db2.gz IIEZOMPKNIJMRF-INIZCTEOSA-N 2 1 330.476 2.343 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104578871 761977054 /nfs/dbraw/zinc/97/70/54/761977054.db2.gz FXRFHLDIPZQCDY-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211603470 761060887 /nfs/dbraw/zinc/06/08/87/761060887.db2.gz DGKNBIAFWSMYOH-RSPOEFSDSA-N 2 1 341.499 2.487 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088003247 782748769 /nfs/dbraw/zinc/74/87/69/782748769.db2.gz QNMLELLQLHQDRC-PMPSAXMXSA-N 2 1 327.900 2.105 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088003247 782748775 /nfs/dbraw/zinc/74/87/75/782748775.db2.gz QNMLELLQLHQDRC-PMPSAXMXSA-N 2 1 327.900 2.105 20 30 EEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089510719 770025327 /nfs/dbraw/zinc/02/53/27/770025327.db2.gz DPKYMEMHROBIPC-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089510719 770025340 /nfs/dbraw/zinc/02/53/40/770025340.db2.gz DPKYMEMHROBIPC-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089510719 770025354 /nfs/dbraw/zinc/02/53/54/770025354.db2.gz DPKYMEMHROBIPC-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885976 774001917 /nfs/dbraw/zinc/00/19/17/774001917.db2.gz LVHPGQRBDNTFAL-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885976 774001924 /nfs/dbraw/zinc/00/19/24/774001924.db2.gz LVHPGQRBDNTFAL-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885976 774001927 /nfs/dbraw/zinc/00/19/27/774001927.db2.gz LVHPGQRBDNTFAL-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106909037 774700288 /nfs/dbraw/zinc/70/02/88/774700288.db2.gz BAMNWZLWCVDGLZ-UYAOXDASSA-N 2 1 341.499 2.064 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089734215 774792627 /nfs/dbraw/zinc/79/26/27/774792627.db2.gz MANZKAALQOCRCN-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734215 774792632 /nfs/dbraw/zinc/79/26/32/774792632.db2.gz MANZKAALQOCRCN-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734215 774792635 /nfs/dbraw/zinc/79/26/35/774792635.db2.gz MANZKAALQOCRCN-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089819015 776774100 /nfs/dbraw/zinc/77/41/00/776774100.db2.gz DKISGFVIKRKAMX-AITUJVMLSA-N 2 1 331.504 2.216 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089819015 776774107 /nfs/dbraw/zinc/77/41/07/776774107.db2.gz DKISGFVIKRKAMX-AITUJVMLSA-N 2 1 331.504 2.216 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089819015 776774116 /nfs/dbraw/zinc/77/41/16/776774116.db2.gz DKISGFVIKRKAMX-AITUJVMLSA-N 2 1 331.504 2.216 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028049426 776822187 /nfs/dbraw/zinc/82/21/87/776822187.db2.gz SFDSNOQATUIFHW-GOSISDBHSA-N 2 1 327.472 2.008 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2ccnc2)C1 ZINC001089841927 777735520 /nfs/dbraw/zinc/73/55/20/777735520.db2.gz BRRSETOAWPMSJD-XSLAGTTESA-N 2 1 328.460 2.018 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981871072 778439950 /nfs/dbraw/zinc/43/99/50/778439950.db2.gz QANULMWVSJZBEH-UHFFFAOYSA-N 2 1 337.895 2.292 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981871072 778439954 /nfs/dbraw/zinc/43/99/54/778439954.db2.gz QANULMWVSJZBEH-UHFFFAOYSA-N 2 1 337.895 2.292 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981959231 778666480 /nfs/dbraw/zinc/66/64/80/778666480.db2.gz KHBXQKZWKBQUHK-KRWDZBQOSA-N 2 1 330.476 2.254 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981959231 778666482 /nfs/dbraw/zinc/66/64/82/778666482.db2.gz KHBXQKZWKBQUHK-KRWDZBQOSA-N 2 1 330.476 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CCC2CC2)C3)CC1 ZINC000982162615 779182232 /nfs/dbraw/zinc/18/22/32/779182232.db2.gz WQXASXXDSYBSRH-UHFFFAOYSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@H](F)CC)C[C@]2(C)C1 ZINC000982298410 779620800 /nfs/dbraw/zinc/62/08/00/779620800.db2.gz DLGSVQVNXJQERX-BWPNAZKDSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@H](F)CC)C[C@]2(C)C1 ZINC000982298410 779620812 /nfs/dbraw/zinc/62/08/12/779620812.db2.gz DLGSVQVNXJQERX-BWPNAZKDSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C[C@H](F)CC)C[C@]2(C)C1 ZINC000982298410 779620820 /nfs/dbraw/zinc/62/08/20/779620820.db2.gz DLGSVQVNXJQERX-BWPNAZKDSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C[C@H](F)CC)C[C@]2(C)C1 ZINC000982298410 779620825 /nfs/dbraw/zinc/62/08/25/779620825.db2.gz DLGSVQVNXJQERX-BWPNAZKDSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccsc2)CC1 ZINC001028333379 780774119 /nfs/dbraw/zinc/77/41/19/780774119.db2.gz ITEKVYUJTXRQTR-SFHVURJKSA-N 2 1 345.512 2.174 20 30 EEEDMP C=C(Br)C[NH2+]CCNC(=O)C[N@H+](C)CCCCCC ZINC001135436872 783766750 /nfs/dbraw/zinc/76/67/50/783766750.db2.gz DNSFRSJQBRDKMC-UHFFFAOYSA-N 2 1 334.302 2.113 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186843 784063289 /nfs/dbraw/zinc/06/32/89/784063289.db2.gz LNZDPTQFDNRLPR-HZPDHXFCSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035225864 784110929 /nfs/dbraw/zinc/11/09/29/784110929.db2.gz BKKPFCGONZDOAY-GDBMZVCRSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035225864 784110937 /nfs/dbraw/zinc/11/09/37/784110937.db2.gz BKKPFCGONZDOAY-GDBMZVCRSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035225864 784110943 /nfs/dbraw/zinc/11/09/43/784110943.db2.gz BKKPFCGONZDOAY-GDBMZVCRSA-N 2 1 339.911 2.251 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC001035233396 784145708 /nfs/dbraw/zinc/14/57/08/784145708.db2.gz CDXPDUMYFWSRQX-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC001035233396 784145715 /nfs/dbraw/zinc/14/57/15/784145715.db2.gz CDXPDUMYFWSRQX-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001035260188 784215657 /nfs/dbraw/zinc/21/56/57/784215657.db2.gz RUPHISFYBLQHPY-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035260188 784215664 /nfs/dbraw/zinc/21/56/64/784215664.db2.gz RUPHISFYBLQHPY-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035260188 784215671 /nfs/dbraw/zinc/21/56/71/784215671.db2.gz RUPHISFYBLQHPY-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035254994 784260138 /nfs/dbraw/zinc/26/01/38/784260138.db2.gz XCQDBRVEYCZNAT-UHFFFAOYSA-N 2 1 325.884 2.149 20 30 EEEDMP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135783430 784423439 /nfs/dbraw/zinc/42/34/39/784423439.db2.gz ARFVGVMOJVITDL-HUUCEWRRSA-N 2 1 327.432 2.330 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135857323 784637644 /nfs/dbraw/zinc/63/76/44/784637644.db2.gz GTRXGEZLBDCXDK-CABCVRRESA-N 2 1 348.466 2.412 20 30 EEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035705400 784986501 /nfs/dbraw/zinc/98/65/01/784986501.db2.gz AWXRYCKPRRFZKK-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001035706311 784988484 /nfs/dbraw/zinc/98/84/84/784988484.db2.gz MNBDMNXUDFKJML-SFHVURJKSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC001036195459 785968112 /nfs/dbraw/zinc/96/81/12/785968112.db2.gz RPMBQBPZRLSHSS-RDJZCZTQSA-N 2 1 346.475 2.287 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495558 787415719 /nfs/dbraw/zinc/41/57/19/787415719.db2.gz QORUNQUPALNLAL-YLJYHZDGSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001171069037 788310930 /nfs/dbraw/zinc/31/09/30/788310930.db2.gz YXMCPALTLPJEGL-HOTGVXAUSA-N 2 1 332.448 2.145 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997180231 789367004 /nfs/dbraw/zinc/36/70/04/789367004.db2.gz JLDGBJZJEIPQCK-GDBMZVCRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997180231 789367009 /nfs/dbraw/zinc/36/70/09/789367009.db2.gz JLDGBJZJEIPQCK-GDBMZVCRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(OC)c1 ZINC000923348366 789411275 /nfs/dbraw/zinc/41/12/75/789411275.db2.gz FDSYRCWLFUQICX-ZWKOTPCHSA-N 2 1 348.487 2.224 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089906874 789688643 /nfs/dbraw/zinc/68/86/43/789688643.db2.gz KGWBFOXSBNISJQ-MANSERQUSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089906874 789688652 /nfs/dbraw/zinc/68/86/52/789688652.db2.gz KGWBFOXSBNISJQ-MANSERQUSA-N 2 1 342.487 2.327 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146334463 791179399 /nfs/dbraw/zinc/17/93/99/791179399.db2.gz XOMQAOIAYXAVGM-CHWSQXEVSA-N 2 1 345.472 2.198 20 30 EEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001148611524 792559443 /nfs/dbraw/zinc/55/94/43/792559443.db2.gz BYSDDPTWPFMYTJ-GOSISDBHSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611524 792559448 /nfs/dbraw/zinc/55/94/48/792559448.db2.gz BYSDDPTWPFMYTJ-GOSISDBHSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611524 792559454 /nfs/dbraw/zinc/55/94/54/792559454.db2.gz BYSDDPTWPFMYTJ-GOSISDBHSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@H]12 ZINC000992172624 793054731 /nfs/dbraw/zinc/05/47/31/793054731.db2.gz ALAPOBFMGSCXLD-HHXXYDBFSA-N 2 1 328.460 2.053 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@H]12 ZINC000992172624 793054739 /nfs/dbraw/zinc/05/47/39/793054739.db2.gz ALAPOBFMGSCXLD-HHXXYDBFSA-N 2 1 328.460 2.053 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071245 793534560 /nfs/dbraw/zinc/53/45/60/793534560.db2.gz MUHJGWKZEJBIFY-AEFFLSMTSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071245 793534566 /nfs/dbraw/zinc/53/45/66/793534566.db2.gz MUHJGWKZEJBIFY-AEFFLSMTSA-N 2 1 339.911 2.251 20 30 EEEDMP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109968343 806296021 /nfs/dbraw/zinc/29/60/21/806296021.db2.gz BBDJLMQAFHFFKL-YDZRNGNQSA-N 2 1 325.456 2.034 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093136990 794713573 /nfs/dbraw/zinc/71/35/73/794713573.db2.gz HBLZAIWVATXJQF-TZMCWYRMSA-N 2 1 336.867 2.198 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093373916 795107240 /nfs/dbraw/zinc/10/72/40/795107240.db2.gz UWPNXRCZZCHLST-QZTJIDSGSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036864084 795563473 /nfs/dbraw/zinc/56/34/73/795563473.db2.gz RELCKVWEFYBIFV-OALUTQOASA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC=C(C)C)C2)CC1 ZINC001036902854 796441860 /nfs/dbraw/zinc/44/18/60/796441860.db2.gz QVVCCLUKIFZIDQ-WOJBJXKFSA-N 2 1 343.515 2.221 20 30 EEEDMP C[NH+](C)CCC[N@@H+](C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429418 797453648 /nfs/dbraw/zinc/45/36/48/797453648.db2.gz WQVTUVONWSBPPW-UHFFFAOYSA-N 2 1 328.460 2.046 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082567835 797591626 /nfs/dbraw/zinc/59/16/26/797591626.db2.gz FPHATWSPHMHXNF-RLLQIKCJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082567835 797591630 /nfs/dbraw/zinc/59/16/30/797591630.db2.gz FPHATWSPHMHXNF-RLLQIKCJSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262279 798059228 /nfs/dbraw/zinc/05/92/28/798059228.db2.gz FGRLTOLFAAQOEP-MAUKXSAKSA-N 2 1 325.472 2.097 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(=C)C)[C@H]2C)CC1 ZINC000994492803 798090241 /nfs/dbraw/zinc/09/02/41/798090241.db2.gz BRELNFLENYIEGZ-PKOBYXMFSA-N 2 1 331.504 2.267 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084780097 798452187 /nfs/dbraw/zinc/45/21/87/798452187.db2.gz PYGFJIYXKFAUCA-CRAIPNDOSA-N 2 1 328.460 2.260 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084780097 798452191 /nfs/dbraw/zinc/45/21/91/798452191.db2.gz PYGFJIYXKFAUCA-CRAIPNDOSA-N 2 1 328.460 2.260 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565225 798499295 /nfs/dbraw/zinc/49/92/95/798499295.db2.gz URFKTOLRYVLSQB-GJZGRUSLSA-N 2 1 348.516 2.336 20 30 EEEDMP CCCCCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177089276 798743783 /nfs/dbraw/zinc/74/37/83/798743783.db2.gz QZNIXLAVNDERML-QZTJIDSGSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177089276 798743787 /nfs/dbraw/zinc/74/37/87/798743787.db2.gz QZNIXLAVNDERML-QZTJIDSGSA-N 2 1 339.524 2.210 20 30 EEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001177320018 798858934 /nfs/dbraw/zinc/85/89/34/798858934.db2.gz YFCSNMHAEAFFTG-RBUKOAKNSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001179592794 799998709 /nfs/dbraw/zinc/99/87/09/799998709.db2.gz OHPHEMPZXCEXIJ-UHFFFAOYSA-N 2 1 343.515 2.450 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCCC)C1 ZINC001181764283 800896591 /nfs/dbraw/zinc/89/65/91/800896591.db2.gz PLDMZBRQTXMOKM-WSTZPKSXSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCCC)C1 ZINC001181764283 800896599 /nfs/dbraw/zinc/89/65/99/800896599.db2.gz PLDMZBRQTXMOKM-WSTZPKSXSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001183129151 801469010 /nfs/dbraw/zinc/46/90/10/801469010.db2.gz KRMDDFOBNOWXJZ-WSTZPKSXSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184578220 802080299 /nfs/dbraw/zinc/08/02/99/802080299.db2.gz SJHYEZJNLFAANG-HIFRSBDPSA-N 2 1 327.900 2.297 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185234886 802435595 /nfs/dbraw/zinc/43/55/95/802435595.db2.gz JOUIHSRZBPOMSG-MSOLQXFVSA-N 2 1 344.503 2.494 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001086221519 802530439 /nfs/dbraw/zinc/53/04/39/802530439.db2.gz XKQFSLWSTLCDDT-FZKCQIBNSA-N 2 1 325.884 2.240 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]2C1 ZINC000946681932 802810363 /nfs/dbraw/zinc/81/03/63/802810363.db2.gz UXCXYHFCVYKUPE-CALCHBBNSA-N 2 1 342.487 2.118 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]2C1 ZINC000946681932 802810368 /nfs/dbraw/zinc/81/03/68/802810368.db2.gz UXCXYHFCVYKUPE-CALCHBBNSA-N 2 1 342.487 2.118 20 30 EEEDMP C=CCCCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001108420883 803512973 /nfs/dbraw/zinc/51/29/73/803512973.db2.gz AYZZZRAXSYMPIG-IBGZPJMESA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108420883 803512978 /nfs/dbraw/zinc/51/29/78/803512978.db2.gz AYZZZRAXSYMPIG-IBGZPJMESA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108420883 803512983 /nfs/dbraw/zinc/51/29/83/803512983.db2.gz AYZZZRAXSYMPIG-IBGZPJMESA-N 2 1 339.524 2.280 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001129771125 810995211 /nfs/dbraw/zinc/99/52/11/810995211.db2.gz RXRUERGZAPTSJZ-MSOLQXFVSA-N 2 1 345.874 2.131 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001129771125 810995217 /nfs/dbraw/zinc/99/52/17/810995217.db2.gz RXRUERGZAPTSJZ-MSOLQXFVSA-N 2 1 345.874 2.131 20 30 EEEDMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001438309261 1090787964 /nfs/dbraw/zinc/78/79/64/1090787964.db2.gz ARCNMKSHYFMDPI-MRXNPFEDSA-N 2 1 346.450 2.166 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(C#N)c1 ZINC001438880032 1091524209 /nfs/dbraw/zinc/52/42/09/1091524209.db2.gz SWUKATRCJKCWQI-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC001438880032 1091524216 /nfs/dbraw/zinc/52/42/16/1091524216.db2.gz SWUKATRCJKCWQI-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001438880032 1091524220 /nfs/dbraw/zinc/52/42/20/1091524220.db2.gz SWUKATRCJKCWQI-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001440395481 1093574840 /nfs/dbraw/zinc/57/48/40/1093574840.db2.gz NGSNZBUQLYKLKV-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001447319649 1102440892 /nfs/dbraw/zinc/44/08/92/1102440892.db2.gz HTBDQZNGXSTAJC-OALUTQOASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC001493314921 1107919314 /nfs/dbraw/zinc/91/93/14/1107919314.db2.gz XMRDHRQEFAFUDY-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000491787494 246150405 /nfs/dbraw/zinc/15/04/05/246150405.db2.gz QPNDGIAARVXQIZ-SFHVURJKSA-N 2 1 326.440 2.124 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000491787494 246150410 /nfs/dbraw/zinc/15/04/10/246150410.db2.gz QPNDGIAARVXQIZ-SFHVURJKSA-N 2 1 326.440 2.124 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942209348 781985157 /nfs/dbraw/zinc/98/51/57/781985157.db2.gz VSMUHSPCKIKJTG-ZBFHGGJFSA-N 2 1 334.464 2.143 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942209348 781985165 /nfs/dbraw/zinc/98/51/65/781985165.db2.gz VSMUHSPCKIKJTG-ZBFHGGJFSA-N 2 1 334.464 2.143 20 30 EEEDMP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000376384975 167315060 /nfs/dbraw/zinc/31/50/60/167315060.db2.gz KXSZPPSROQCFBF-UHFFFAOYSA-N 2 1 332.473 2.366 20 30 EEEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000376384975 167315062 /nfs/dbraw/zinc/31/50/62/167315062.db2.gz KXSZPPSROQCFBF-UHFFFAOYSA-N 2 1 332.473 2.366 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942260606 782084696 /nfs/dbraw/zinc/08/46/96/782084696.db2.gz ZARAYTYBOXIFOS-HIFRSBDPSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942260606 782084706 /nfs/dbraw/zinc/08/47/06/782084706.db2.gz ZARAYTYBOXIFOS-HIFRSBDPSA-N 2 1 325.884 2.194 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCCC2)cc1 ZINC000170905727 463737762 /nfs/dbraw/zinc/73/77/62/463737762.db2.gz NSEKWGCEUHLAAF-GOSISDBHSA-N 2 1 329.492 2.175 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)cc1OC ZINC000277506169 463918756 /nfs/dbraw/zinc/91/87/56/463918756.db2.gz MVNMOAOAPJVBDR-INIZCTEOSA-N 2 1 346.475 2.125 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC(F)F)c1 ZINC000264316343 464294521 /nfs/dbraw/zinc/29/45/21/464294521.db2.gz WIALSLZREVIZMX-AWEZNQCLSA-N 2 1 340.418 2.219 20 30 EEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247978977 464719821 /nfs/dbraw/zinc/71/98/21/464719821.db2.gz LZJWSRZVEXVJOR-SJLPKXTDSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247978977 464719830 /nfs/dbraw/zinc/71/98/30/464719830.db2.gz LZJWSRZVEXVJOR-SJLPKXTDSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247978977 464719839 /nfs/dbraw/zinc/71/98/39/464719839.db2.gz LZJWSRZVEXVJOR-SJLPKXTDSA-N 2 1 326.444 2.303 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(F)cccc1OC(F)F ZINC000267717106 464938844 /nfs/dbraw/zinc/93/88/44/464938844.db2.gz UMNRMLYUWVWBFJ-NSHDSACASA-N 2 1 344.381 2.316 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000366468000 465745221 /nfs/dbraw/zinc/74/52/21/465745221.db2.gz MHYJNTGJCIQMQT-HXUWFJFHSA-N 2 1 329.463 2.278 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000366468000 465745227 /nfs/dbraw/zinc/74/52/27/465745227.db2.gz MHYJNTGJCIQMQT-HXUWFJFHSA-N 2 1 329.463 2.278 20 30 EEEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000424156242 466992124 /nfs/dbraw/zinc/99/21/24/466992124.db2.gz OFHLBTYFLVRWHQ-GDBMZVCRSA-N 2 1 334.489 2.097 20 30 EEEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415139396 467499203 /nfs/dbraw/zinc/49/92/03/467499203.db2.gz ZPFNCNMXMDKGLQ-KRWDZBQOSA-N 2 1 327.432 2.139 20 30 EEEDMP C[N@H+]1CCN(CCC[NH2+]C[C@H](C#N)CCC#N)[C@@H](c2ccccc2)C1 ZINC000591725384 468510611 /nfs/dbraw/zinc/51/06/11/468510611.db2.gz WICOVGJQPYKICC-AZUAARDMSA-N 2 1 339.487 2.398 20 30 EEEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610370266 470008476 /nfs/dbraw/zinc/00/84/76/470008476.db2.gz QHNUKLGMSMOPBK-MOPGFXCFSA-N 2 1 345.487 2.299 20 30 EEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610370266 470008480 /nfs/dbraw/zinc/00/84/80/470008480.db2.gz QHNUKLGMSMOPBK-MOPGFXCFSA-N 2 1 345.487 2.299 20 30 EEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610370266 470008485 /nfs/dbraw/zinc/00/84/85/470008485.db2.gz QHNUKLGMSMOPBK-MOPGFXCFSA-N 2 1 345.487 2.299 20 30 EEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610370266 470008486 /nfs/dbraw/zinc/00/84/86/470008486.db2.gz QHNUKLGMSMOPBK-MOPGFXCFSA-N 2 1 345.487 2.299 20 30 EEEDMP C=CCCn1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)nn1 ZINC000657389917 471122799 /nfs/dbraw/zinc/12/27/99/471122799.db2.gz QNKUURZGJFYADB-UHFFFAOYSA-N 2 1 341.463 2.020 20 30 EEEDMP C=CCC[C@H](O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370496326 527488507 /nfs/dbraw/zinc/48/85/07/527488507.db2.gz NMMOSHNVKJGOII-FQEVSTJZSA-N 2 1 337.552 2.442 20 30 EEEDMP C=CCC[C@H](O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370496326 527488514 /nfs/dbraw/zinc/48/85/14/527488514.db2.gz NMMOSHNVKJGOII-FQEVSTJZSA-N 3 1 337.552 2.442 20 30 EEEDMP C=CCC[C@H](O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370496326 527488518 /nfs/dbraw/zinc/48/85/18/527488518.db2.gz NMMOSHNVKJGOII-FQEVSTJZSA-N 3 1 337.552 2.442 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000730095758 576713793 /nfs/dbraw/zinc/71/37/93/576713793.db2.gz DZPIYKQTZQSWRS-RBUKOAKNSA-N 2 1 327.472 2.283 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000730095758 576713795 /nfs/dbraw/zinc/71/37/95/576713795.db2.gz DZPIYKQTZQSWRS-RBUKOAKNSA-N 2 1 327.472 2.283 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000730104350 576715826 /nfs/dbraw/zinc/71/58/26/576715826.db2.gz RNMAYPNWVOHSFW-IBGZPJMESA-N 2 1 327.472 2.242 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000730104350 576715827 /nfs/dbraw/zinc/71/58/27/576715827.db2.gz RNMAYPNWVOHSFW-IBGZPJMESA-N 2 1 327.472 2.242 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000730106965 576716212 /nfs/dbraw/zinc/71/62/12/576716212.db2.gz WHXLAXIEZZGDDA-WMZOPIPTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000730106965 576716215 /nfs/dbraw/zinc/71/62/15/576716215.db2.gz WHXLAXIEZZGDDA-WMZOPIPTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000730106965 576716218 /nfs/dbraw/zinc/71/62/18/576716218.db2.gz WHXLAXIEZZGDDA-WMZOPIPTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000730106965 576716220 /nfs/dbraw/zinc/71/62/20/576716220.db2.gz WHXLAXIEZZGDDA-WMZOPIPTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H](C)F)CC1 ZINC001021469835 676118762 /nfs/dbraw/zinc/11/87/62/676118762.db2.gz OMCUQNMPRQKRQH-UXDRXVOSSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001022220715 676742598 /nfs/dbraw/zinc/74/25/98/676742598.db2.gz LIAMZLUSIVKJBT-ZCNNSNEGSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001022220715 676742599 /nfs/dbraw/zinc/74/25/99/676742599.db2.gz LIAMZLUSIVKJBT-ZCNNSNEGSA-N 2 1 339.483 2.138 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC000971736801 676768437 /nfs/dbraw/zinc/76/84/37/676768437.db2.gz SMCUTHZSEVARAK-MOPGFXCFSA-N 2 1 342.487 2.177 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC000972329760 678552302 /nfs/dbraw/zinc/55/23/02/678552302.db2.gz BBBPVYQZYONQLW-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000972329760 678552306 /nfs/dbraw/zinc/55/23/06/678552306.db2.gz BBBPVYQZYONQLW-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000972329760 678552310 /nfs/dbraw/zinc/55/23/10/678552310.db2.gz BBBPVYQZYONQLW-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023400715 679290737 /nfs/dbraw/zinc/29/07/37/679290737.db2.gz ZDNXLVATQVRJDE-HNNXBMFYSA-N 2 1 333.501 2.275 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414697 679298370 /nfs/dbraw/zinc/29/83/70/679298370.db2.gz YSBBDHVRRJGLAP-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414697 679298371 /nfs/dbraw/zinc/29/83/71/679298371.db2.gz YSBBDHVRRJGLAP-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414697 679298373 /nfs/dbraw/zinc/29/83/73/679298373.db2.gz YSBBDHVRRJGLAP-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000972583494 679352787 /nfs/dbraw/zinc/35/27/87/679352787.db2.gz WBTGQQHYEHGAAJ-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000972583494 679352789 /nfs/dbraw/zinc/35/27/89/679352789.db2.gz WBTGQQHYEHGAAJ-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617599 681282394 /nfs/dbraw/zinc/28/23/94/681282394.db2.gz KGAOKTCSEVITED-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617599 681282398 /nfs/dbraw/zinc/28/23/98/681282398.db2.gz KGAOKTCSEVITED-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617599 681282400 /nfs/dbraw/zinc/28/24/00/681282400.db2.gz KGAOKTCSEVITED-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617599 681282406 /nfs/dbraw/zinc/28/24/06/681282406.db2.gz KGAOKTCSEVITED-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028648350 681522103 /nfs/dbraw/zinc/52/21/03/681522103.db2.gz YULPUNOACDWBMS-HZPDHXFCSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028648350 681522108 /nfs/dbraw/zinc/52/21/08/681522108.db2.gz YULPUNOACDWBMS-HZPDHXFCSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028648350 681522113 /nfs/dbraw/zinc/52/21/13/681522113.db2.gz YULPUNOACDWBMS-HZPDHXFCSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028648350 681522119 /nfs/dbraw/zinc/52/21/19/681522119.db2.gz YULPUNOACDWBMS-HZPDHXFCSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001029003569 682650627 /nfs/dbraw/zinc/65/06/27/682650627.db2.gz NUTIXLXGBXEPGM-KRWDZBQOSA-N 2 1 345.531 2.206 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC001029004523 682653799 /nfs/dbraw/zinc/65/37/99/682653799.db2.gz YJFBPIAUPMQFHN-INIZCTEOSA-N 2 1 345.512 2.031 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586112 683044447 /nfs/dbraw/zinc/04/44/47/683044447.db2.gz WECKVEHDDLOKNA-PKOBYXMFSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC000992819466 683530900 /nfs/dbraw/zinc/53/09/00/683530900.db2.gz FBAIIDHDIVAWLA-IXDOHACOSA-N 2 1 330.476 2.409 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC000992920807 683653078 /nfs/dbraw/zinc/65/30/78/683653078.db2.gz QHPWOWXCISQLMF-OWCLPIDISA-N 2 1 336.867 2.161 20 30 EEEDMP C[NH+]=C(NCc1ccc(Cl)cc1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262454245 686123608 /nfs/dbraw/zinc/12/36/08/686123608.db2.gz SMRFNXZJGHFCMN-MRXNPFEDSA-N 2 1 340.924 2.442 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989616593 692081543 /nfs/dbraw/zinc/08/15/43/692081543.db2.gz XSKLBJSVOHIWFT-UKRRQHHQSA-N 2 1 345.834 2.212 20 30 EEEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168323121 1188292075 /nfs/dbraw/zinc/29/20/75/1188292075.db2.gz RKANSAYZRMFFDB-HTWSVDAQSA-N 2 1 332.492 2.395 20 30 EEEDMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1C#N ZINC001485388599 1191775303 /nfs/dbraw/zinc/77/53/03/1191775303.db2.gz NTSAEUOUUQRIJY-KRWDZBQOSA-N 2 1 342.487 2.371 20 30 EEEDMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1C#N ZINC001485388599 1191775305 /nfs/dbraw/zinc/77/53/05/1191775305.db2.gz NTSAEUOUUQRIJY-KRWDZBQOSA-N 2 1 342.487 2.371 20 30 EEEDMP C=CCN1c2ccccc2[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273030174 1194337129 /nfs/dbraw/zinc/33/71/29/1194337129.db2.gz MAJGJTBFXLYCAP-HXUWFJFHSA-N 2 1 325.456 2.162 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033958864 1195560671 /nfs/dbraw/zinc/56/06/71/1195560671.db2.gz RKGHUIWKGPTGBD-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033958864 1195560676 /nfs/dbraw/zinc/56/06/76/1195560676.db2.gz RKGHUIWKGPTGBD-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304645 1196093717 /nfs/dbraw/zinc/09/37/17/1196093717.db2.gz WKCNVFLLWLHDBN-INIZCTEOSA-N 2 1 339.443 2.428 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC001034957850 1196918717 /nfs/dbraw/zinc/91/87/17/1196918717.db2.gz LVRDPPZXNWYPBY-OAHLLOKOSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CC(N[C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1)=[NH+]COC ZINC001170718048 1199247799 /nfs/dbraw/zinc/24/77/99/1199247799.db2.gz HYBCKMVALWDRRN-IYARVYRRSA-N 2 1 334.508 2.103 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310422 1199560463 /nfs/dbraw/zinc/56/04/63/1199560463.db2.gz KOGABERNRGGLSA-QUCCMNQESA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310422 1199560471 /nfs/dbraw/zinc/56/04/71/1199560471.db2.gz KOGABERNRGGLSA-QUCCMNQESA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310422 1199560476 /nfs/dbraw/zinc/56/04/76/1199560476.db2.gz KOGABERNRGGLSA-QUCCMNQESA-N 2 1 341.499 2.153 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310422 1199560480 /nfs/dbraw/zinc/56/04/80/1199560480.db2.gz KOGABERNRGGLSA-QUCCMNQESA-N 2 1 341.499 2.153 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132437315 1199709408 /nfs/dbraw/zinc/70/94/08/1199709408.db2.gz RMUHWAXLQRGLES-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132437315 1199709412 /nfs/dbraw/zinc/70/94/12/1199709412.db2.gz RMUHWAXLQRGLES-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132437315 1199709414 /nfs/dbraw/zinc/70/94/14/1199709414.db2.gz RMUHWAXLQRGLES-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132437315 1199709417 /nfs/dbraw/zinc/70/94/17/1199709417.db2.gz RMUHWAXLQRGLES-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001132986749 1200279276 /nfs/dbraw/zinc/27/92/76/1200279276.db2.gz MVLJPLOKZUJZHH-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133165552 1200539703 /nfs/dbraw/zinc/53/97/03/1200539703.db2.gz JCEYCBDGFCLQNV-FUHWJXTLSA-N 2 1 330.476 2.069 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001018333403 1224617862 /nfs/dbraw/zinc/61/78/62/1224617862.db2.gz GKKUMZNRPDEHLN-CALCHBBNSA-N 2 1 343.471 2.434 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001018333403 1224617863 /nfs/dbraw/zinc/61/78/63/1224617863.db2.gz GKKUMZNRPDEHLN-CALCHBBNSA-N 2 1 343.471 2.434 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000883131798 1202017989 /nfs/dbraw/zinc/01/79/89/1202017989.db2.gz SUDFDVVRJMSBAT-UHFFFAOYSA-N 2 1 341.249 2.208 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000889016061 1204561740 /nfs/dbraw/zinc/56/17/40/1204561740.db2.gz PHAYESRRERGMKG-NEWSRXKRSA-N 2 1 342.487 2.075 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000889016061 1204561744 /nfs/dbraw/zinc/56/17/44/1204561744.db2.gz PHAYESRRERGMKG-NEWSRXKRSA-N 2 1 342.487 2.075 20 30 EEEDMP COc1cccc([C@H](CNC(=[NH2+])N2CCSCC2)[NH+]2CCCC2)c1 ZINC000104155845 1204610556 /nfs/dbraw/zinc/61/05/56/1204610556.db2.gz TUBBTSVRAVZEIE-KRWDZBQOSA-N 2 1 348.516 2.196 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947567635 1208624085 /nfs/dbraw/zinc/62/40/85/1208624085.db2.gz FYISDELILIAIEG-WMZOPIPTSA-N 2 1 327.472 2.007 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948778991 1209370473 /nfs/dbraw/zinc/37/04/73/1209370473.db2.gz HKVFINDSKRAPTC-HOCLYGCPSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647446 1215294683 /nfs/dbraw/zinc/29/46/83/1215294683.db2.gz ILGKJPRLMYIOKM-HDICACEKSA-N 2 1 331.504 2.197 20 30 EEEDMP C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960479592 1216615568 /nfs/dbraw/zinc/61/55/68/1216615568.db2.gz PKFSYWBZVKSHMH-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000960479592 1216615569 /nfs/dbraw/zinc/61/55/69/1216615569.db2.gz PKFSYWBZVKSHMH-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000960479592 1216615571 /nfs/dbraw/zinc/61/55/71/1216615571.db2.gz PKFSYWBZVKSHMH-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960485242 1216619700 /nfs/dbraw/zinc/61/97/00/1216619700.db2.gz CJCLVQULKMGORE-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000960485242 1216619704 /nfs/dbraw/zinc/61/97/04/1216619704.db2.gz CJCLVQULKMGORE-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000960485242 1216619708 /nfs/dbraw/zinc/61/97/08/1216619708.db2.gz CJCLVQULKMGORE-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961027849 1217013257 /nfs/dbraw/zinc/01/32/57/1217013257.db2.gz LDXRHFDJDVGMLC-IBGZPJMESA-N 2 1 340.471 2.077 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961027849 1217013259 /nfs/dbraw/zinc/01/32/59/1217013259.db2.gz LDXRHFDJDVGMLC-IBGZPJMESA-N 2 1 340.471 2.077 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CC[N@H+](CC=C)C3)C2)CC1 ZINC000961292517 1217132000 /nfs/dbraw/zinc/13/20/00/1217132000.db2.gz JPPTZJGLMGNSDA-WOJBJXKFSA-N 2 1 343.515 2.078 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961439173 1217190703 /nfs/dbraw/zinc/19/07/03/1217190703.db2.gz FTYRAUCKKCASHJ-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961439173 1217190706 /nfs/dbraw/zinc/19/07/06/1217190706.db2.gz FTYRAUCKKCASHJ-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961439173 1217190708 /nfs/dbraw/zinc/19/07/08/1217190708.db2.gz FTYRAUCKKCASHJ-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000963419140 1217615508 /nfs/dbraw/zinc/61/55/08/1217615508.db2.gz CODLDDPGFSQUDH-TVPLGVNVSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425183 1220501619 /nfs/dbraw/zinc/50/16/19/1220501619.db2.gz YHFVYEONOCINAK-FXAWDEMLSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000968997977 1221728451 /nfs/dbraw/zinc/72/84/51/1221728451.db2.gz HQTSLZYAJGHGCK-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000968997977 1221728454 /nfs/dbraw/zinc/72/84/54/1221728454.db2.gz HQTSLZYAJGHGCK-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000968997977 1221728457 /nfs/dbraw/zinc/72/84/57/1221728457.db2.gz HQTSLZYAJGHGCK-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024075 1221748152 /nfs/dbraw/zinc/74/81/52/1221748152.db2.gz YIZZHSPICXGXGH-ROUUACIJSA-N 2 1 342.487 2.138 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969024075 1221748155 /nfs/dbraw/zinc/74/81/55/1221748155.db2.gz YIZZHSPICXGXGH-ROUUACIJSA-N 2 1 342.487 2.138 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000969026015 1221749885 /nfs/dbraw/zinc/74/98/85/1221749885.db2.gz ZCJZEXCEZONQOO-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000969026015 1221749888 /nfs/dbraw/zinc/74/98/88/1221749888.db2.gz ZCJZEXCEZONQOO-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533125 1222910993 /nfs/dbraw/zinc/91/09/93/1222910993.db2.gz JZTDZTGBDNGKTG-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533125 1222910996 /nfs/dbraw/zinc/91/09/96/1222910996.db2.gz JZTDZTGBDNGKTG-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001016792749 1226882478 /nfs/dbraw/zinc/88/24/78/1226882478.db2.gz ACPQPPQTBGRJEF-WMZOPIPTSA-N 2 1 342.487 2.301 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001016794145 1226884641 /nfs/dbraw/zinc/88/46/41/1226884641.db2.gz SMZJNHJCOANCOZ-FUHWJXTLSA-N 2 1 342.487 2.301 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001016820166 1226903414 /nfs/dbraw/zinc/90/34/14/1226903414.db2.gz PDKIZSCMVWYAHK-FUHWJXTLSA-N 2 1 342.487 2.301 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001017944441 1227903026 /nfs/dbraw/zinc/90/30/26/1227903026.db2.gz LGEGBVWACYHGMB-FCEWJHQRSA-N 2 1 337.483 2.450 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001017944441 1227903032 /nfs/dbraw/zinc/90/30/32/1227903032.db2.gz LGEGBVWACYHGMB-FCEWJHQRSA-N 2 1 337.483 2.450 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001017944441 1227903036 /nfs/dbraw/zinc/90/30/36/1227903036.db2.gz LGEGBVWACYHGMB-FCEWJHQRSA-N 2 1 337.483 2.450 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001017944441 1227903038 /nfs/dbraw/zinc/90/30/38/1227903038.db2.gz LGEGBVWACYHGMB-FCEWJHQRSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001017949351 1227911431 /nfs/dbraw/zinc/91/14/31/1227911431.db2.gz LNRJURFFJDCMOO-KDURUIRLSA-N 2 1 327.472 2.266 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001017949351 1227911436 /nfs/dbraw/zinc/91/14/36/1227911436.db2.gz LNRJURFFJDCMOO-KDURUIRLSA-N 2 1 327.472 2.266 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001018985984 1228608207 /nfs/dbraw/zinc/60/82/07/1228608207.db2.gz PDDJTKZRVWTMFC-ICSRJNTNSA-N 2 1 339.483 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001018985984 1228608212 /nfs/dbraw/zinc/60/82/12/1228608212.db2.gz PDDJTKZRVWTMFC-ICSRJNTNSA-N 2 1 339.483 2.092 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001039424473 1230601697 /nfs/dbraw/zinc/60/16/97/1230601697.db2.gz RZZZTGKIWSTKTQ-NUJGCVRESA-N 2 1 328.460 2.005 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001039424473 1230601700 /nfs/dbraw/zinc/60/17/00/1230601700.db2.gz RZZZTGKIWSTKTQ-NUJGCVRESA-N 2 1 328.460 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001040543932 1231285008 /nfs/dbraw/zinc/28/50/08/1231285008.db2.gz RRHTVWZVFSGYCF-OAQYLSRUSA-N 2 1 339.483 2.310 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001040725524 1231348995 /nfs/dbraw/zinc/34/89/95/1231348995.db2.gz AUZHTROJJOBZAO-QGZVFWFLSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040818004 1231378753 /nfs/dbraw/zinc/37/87/53/1231378753.db2.gz YYYZWSXIROBSNN-IBGZPJMESA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001041480260 1231561297 /nfs/dbraw/zinc/56/12/97/1231561297.db2.gz RDMAVAJXRVNRBQ-HXUWFJFHSA-N 2 1 342.487 2.262 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001041480260 1231561298 /nfs/dbraw/zinc/56/12/98/1231561298.db2.gz RDMAVAJXRVNRBQ-HXUWFJFHSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042111243 1231895875 /nfs/dbraw/zinc/89/58/75/1231895875.db2.gz IDVKQHWZQGIFBH-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042270775 1231995335 /nfs/dbraw/zinc/99/53/35/1231995335.db2.gz SECOOCYZJPVUSX-PKOBYXMFSA-N 2 1 327.472 2.471 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042369344 1232050804 /nfs/dbraw/zinc/05/08/04/1232050804.db2.gz WTSXGJRNHPKZIG-APWZRJJASA-N 2 1 327.472 2.471 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCC4CC4)[C@H]3C2)CC1 ZINC001042369413 1232050900 /nfs/dbraw/zinc/05/09/00/1232050900.db2.gz XTSYZVGQBJSGRS-ICSRJNTNSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986072 1234281728 /nfs/dbraw/zinc/28/17/28/1234281728.db2.gz GRHNTRXORILWDG-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC2CCC2)C3)CC1 ZINC001047208554 1235672321 /nfs/dbraw/zinc/67/23/21/1235672321.db2.gz IUMXXORFDCTDHX-SXLOBPIMSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047244018 1235734981 /nfs/dbraw/zinc/73/49/81/1235734981.db2.gz OWSUTQSYGPJZDH-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001048511806 1237810128 /nfs/dbraw/zinc/81/01/28/1237810128.db2.gz IIMQHLOYKVFCAW-QKPAOTATSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001048511806 1237810141 /nfs/dbraw/zinc/81/01/41/1237810141.db2.gz IIMQHLOYKVFCAW-QKPAOTATSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001048511806 1237810152 /nfs/dbraw/zinc/81/01/52/1237810152.db2.gz IIMQHLOYKVFCAW-QKPAOTATSA-N 2 1 325.884 2.192 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001048590713 1238042861 /nfs/dbraw/zinc/04/28/61/1238042861.db2.gz WEYPBATYFODYAM-FCGDIQPGSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048590713 1238042868 /nfs/dbraw/zinc/04/28/68/1238042868.db2.gz WEYPBATYFODYAM-FCGDIQPGSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048590713 1238042880 /nfs/dbraw/zinc/04/28/80/1238042880.db2.gz WEYPBATYFODYAM-FCGDIQPGSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001001156925 1241741996 /nfs/dbraw/zinc/74/19/96/1241741996.db2.gz OGAMUTSRUMRVPQ-UHFFFAOYSA-N 2 1 327.472 2.339 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001049671752 1241835189 /nfs/dbraw/zinc/83/51/89/1241835189.db2.gz HVPWPWQIHHKLBM-OTWHNJEPSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001049671752 1241835194 /nfs/dbraw/zinc/83/51/94/1241835194.db2.gz HVPWPWQIHHKLBM-OTWHNJEPSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001049671752 1241835200 /nfs/dbraw/zinc/83/52/00/1241835200.db2.gz HVPWPWQIHHKLBM-OTWHNJEPSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001049671752 1241835202 /nfs/dbraw/zinc/83/52/02/1241835202.db2.gz HVPWPWQIHHKLBM-OTWHNJEPSA-N 2 1 349.519 2.127 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787708 1242183938 /nfs/dbraw/zinc/18/39/38/1242183938.db2.gz JSAIQZXZSSLNML-PMACEKPBSA-N 2 1 339.483 2.450 20 30 EEEDMP C=CCC[N@H+]1CCc2c(CNC(=O)C34CC[NH+](CC3)C4)cccc2C1 ZINC001051305418 1245508453 /nfs/dbraw/zinc/50/84/53/1245508453.db2.gz AZLLZYQGHIFNKD-UHFFFAOYSA-N 2 1 339.483 2.333 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257821 1245582748 /nfs/dbraw/zinc/58/27/48/1245582748.db2.gz OBCLQGLJOWIBGC-AOIWGVFYSA-N 2 1 339.499 2.413 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051333 1245772554 /nfs/dbraw/zinc/77/25/54/1245772554.db2.gz NWRAZBOGLTUEES-MOPGFXCFSA-N 2 1 343.515 2.056 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053090535 1245875698 /nfs/dbraw/zinc/87/56/98/1245875698.db2.gz GXBLCOBSSJETHD-RTBURBONSA-N 2 1 342.487 2.308 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053090535 1245875706 /nfs/dbraw/zinc/87/57/06/1245875706.db2.gz GXBLCOBSSJETHD-RTBURBONSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053091127 1245876745 /nfs/dbraw/zinc/87/67/45/1245876745.db2.gz LCXOQKLVBPURTM-MOPGFXCFSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053091127 1245876754 /nfs/dbraw/zinc/87/67/54/1245876754.db2.gz LCXOQKLVBPURTM-MOPGFXCFSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053091129 1245877486 /nfs/dbraw/zinc/87/74/86/1245877486.db2.gz LCXOQKLVBPURTM-OALUTQOASA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053091129 1245877493 /nfs/dbraw/zinc/87/74/93/1245877493.db2.gz LCXOQKLVBPURTM-OALUTQOASA-N 2 1 342.487 2.308 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095761 1245893448 /nfs/dbraw/zinc/89/34/48/1245893448.db2.gz KXQBFMHFSDOGLQ-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001101573858 1245977644 /nfs/dbraw/zinc/97/76/44/1245977644.db2.gz GUMITWSLDINSAB-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001054198230 1247691055 /nfs/dbraw/zinc/69/10/55/1247691055.db2.gz SOBQVCBLZKHOJZ-WOJBJXKFSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001054198230 1247691062 /nfs/dbraw/zinc/69/10/62/1247691062.db2.gz SOBQVCBLZKHOJZ-WOJBJXKFSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001054198230 1247691067 /nfs/dbraw/zinc/69/10/67/1247691067.db2.gz SOBQVCBLZKHOJZ-WOJBJXKFSA-N 2 1 349.494 2.147 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054228716 1247784464 /nfs/dbraw/zinc/78/44/64/1247784464.db2.gz XZBDPTXETULARL-KRWDZBQOSA-N 2 1 337.895 2.149 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001054233237 1247799369 /nfs/dbraw/zinc/79/93/69/1247799369.db2.gz GBOJQHGNLLQDHT-KRWDZBQOSA-N 2 1 336.867 2.328 20 30 EEEDMP C=C(Cl)CN1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001054233237 1247799385 /nfs/dbraw/zinc/79/93/85/1247799385.db2.gz GBOJQHGNLLQDHT-KRWDZBQOSA-N 2 1 336.867 2.328 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244998 1247861246 /nfs/dbraw/zinc/86/12/46/1247861246.db2.gz MNBNVPHEBSSGRD-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099010772 1257933008 /nfs/dbraw/zinc/93/30/08/1257933008.db2.gz MXSHBMDVGQYPDA-RDJZCZTQSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099010772 1257933013 /nfs/dbraw/zinc/93/30/13/1257933013.db2.gz MXSHBMDVGQYPDA-RDJZCZTQSA-N 2 1 325.884 2.051 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099251175 1258036401 /nfs/dbraw/zinc/03/64/01/1258036401.db2.gz HCDYURYVSGAWTD-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099251175 1258036409 /nfs/dbraw/zinc/03/64/09/1258036409.db2.gz HCDYURYVSGAWTD-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001184819504 1278589802 /nfs/dbraw/zinc/58/98/02/1278589802.db2.gz BPZLCQCQZVVICD-IRXDYDNUSA-N 2 1 344.503 2.412 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191029972 1281182593 /nfs/dbraw/zinc/18/25/93/1281182593.db2.gz PICKTPOIJDQHLE-GOSISDBHSA-N 2 1 330.476 2.407 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001192007918 1281759727 /nfs/dbraw/zinc/75/97/27/1281759727.db2.gz SYFVPXCVSPZRNC-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001194118432 1282894209 /nfs/dbraw/zinc/89/42/09/1282894209.db2.gz GAZFWMWRBLDXOS-QZTJIDSGSA-N 2 1 342.443 2.084 20 30 EEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001202502485 1294763816 /nfs/dbraw/zinc/76/38/16/1294763816.db2.gz CYCOJDHZKXISSZ-MRXNPFEDSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000861838111 1295559892 /nfs/dbraw/zinc/55/98/92/1295559892.db2.gz QZRBHKUNEIBACN-GOSISDBHSA-N 2 1 347.890 2.376 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000861838111 1295559898 /nfs/dbraw/zinc/55/98/98/1295559898.db2.gz QZRBHKUNEIBACN-GOSISDBHSA-N 2 1 347.890 2.376 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000861838111 1295559908 /nfs/dbraw/zinc/55/99/08/1295559908.db2.gz QZRBHKUNEIBACN-GOSISDBHSA-N 2 1 347.890 2.376 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000861838111 1295559913 /nfs/dbraw/zinc/55/99/13/1295559913.db2.gz QZRBHKUNEIBACN-GOSISDBHSA-N 2 1 347.890 2.376 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974429 1296245680 /nfs/dbraw/zinc/24/56/80/1296245680.db2.gz ZNDPBQRIYJSPTH-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC1(O)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000886780312 1296727647 /nfs/dbraw/zinc/72/76/47/1296727647.db2.gz ILXFJRSPLPYYHE-HXUWFJFHSA-N 2 1 330.472 2.026 20 30 EEEDMP C=CCC1(O)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000886780312 1296727660 /nfs/dbraw/zinc/72/76/60/1296727660.db2.gz ILXFJRSPLPYYHE-HXUWFJFHSA-N 2 1 330.472 2.026 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C[C@@H](C)O2 ZINC001098589737 1298640089 /nfs/dbraw/zinc/64/00/89/1298640089.db2.gz LHSQGXXKTXEBDR-QZTJIDSGSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098842134 1298713463 /nfs/dbraw/zinc/71/34/63/1298713463.db2.gz XSTDYRDECXQOEL-BJLQDIEVSA-N 2 1 331.504 2.265 20 30 EEEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001099527161 1299188909 /nfs/dbraw/zinc/18/89/09/1299188909.db2.gz BXIFDXRIPKJFNS-MANSERQUSA-N 2 1 345.531 2.156 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099527161 1299188927 /nfs/dbraw/zinc/18/89/27/1299188927.db2.gz BXIFDXRIPKJFNS-MANSERQUSA-N 2 1 345.531 2.156 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099527161 1299188940 /nfs/dbraw/zinc/18/89/40/1299188940.db2.gz BXIFDXRIPKJFNS-MANSERQUSA-N 2 1 345.531 2.156 20 30 EEEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001225143038 1300912597 /nfs/dbraw/zinc/91/25/97/1300912597.db2.gz RXTCBQUGHKPDIU-LJQANCHMSA-N 2 1 327.472 2.141 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001102371851 1300949892 /nfs/dbraw/zinc/94/98/92/1300949892.db2.gz YJUDGINEDLFGKI-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001102371851 1300949895 /nfs/dbraw/zinc/94/98/95/1300949895.db2.gz YJUDGINEDLFGKI-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CCOCC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001227464560 1301838850 /nfs/dbraw/zinc/83/88/50/1301838850.db2.gz MAAULHWKUYLHKT-INIZCTEOSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103003829 1302053395 /nfs/dbraw/zinc/05/33/95/1302053395.db2.gz ZWPBXUQKRZQFRE-DTZQCDIJSA-N 2 1 327.900 2.153 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103003829 1302053406 /nfs/dbraw/zinc/05/34/06/1302053406.db2.gz ZWPBXUQKRZQFRE-DTZQCDIJSA-N 2 1 327.900 2.153 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103003829 1302053385 /nfs/dbraw/zinc/05/33/85/1302053385.db2.gz ZWPBXUQKRZQFRE-DTZQCDIJSA-N 2 1 327.900 2.153 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103086771 1302193567 /nfs/dbraw/zinc/19/35/67/1302193567.db2.gz QFLSDNLYQNBPCK-ZACQAIPSSA-N 2 1 330.476 2.411 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103086771 1302193571 /nfs/dbraw/zinc/19/35/71/1302193571.db2.gz QFLSDNLYQNBPCK-ZACQAIPSSA-N 2 1 330.476 2.411 20 30 EEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001229185419 1302661027 /nfs/dbraw/zinc/66/10/27/1302661027.db2.gz LMUDQQBOUCIKQJ-MRXNPFEDSA-N 2 1 330.476 2.301 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001229503574 1302822188 /nfs/dbraw/zinc/82/21/88/1302822188.db2.gz LCMJHDOBHBMBPP-RTBURBONSA-N 2 1 342.487 2.417 20 30 EEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376060 1302862905 /nfs/dbraw/zinc/86/29/05/1302862905.db2.gz IYVWFUUKXWVIDO-OIISXLGYSA-N 2 1 330.476 2.014 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376060 1302862916 /nfs/dbraw/zinc/86/29/16/1302862916.db2.gz IYVWFUUKXWVIDO-OIISXLGYSA-N 2 1 330.476 2.014 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001230113066 1303069204 /nfs/dbraw/zinc/06/92/04/1303069204.db2.gz PLDZCNLHXDYPTC-UHFFFAOYSA-N 2 1 345.462 2.100 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001230113066 1303069220 /nfs/dbraw/zinc/06/92/20/1303069220.db2.gz PLDZCNLHXDYPTC-UHFFFAOYSA-N 2 1 345.462 2.100 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@H](C1CC1)[NH+](C)C)Cc1cccnc1 ZINC001230778104 1303450091 /nfs/dbraw/zinc/45/00/91/1303450091.db2.gz IRNHGEJJUWKEJU-IBGZPJMESA-N 2 1 344.503 2.306 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230781166 1303452435 /nfs/dbraw/zinc/45/24/35/1303452435.db2.gz GSBSHICIOUWTSE-SFHVURJKSA-N 2 1 332.492 2.162 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1cccnc1 ZINC001230783147 1303454329 /nfs/dbraw/zinc/45/43/29/1303454329.db2.gz AGMNKRUHYGJENN-LJQANCHMSA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[NH+](CCCNC(=O)CC[N@H+](C)CCC)Cc1cccnc1 ZINC001230906993 1303539659 /nfs/dbraw/zinc/53/96/59/1303539659.db2.gz YIMOAWYCPNJNAL-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)CC[NH+](C)CCC)Cc1cccnc1 ZINC001230906993 1303539661 /nfs/dbraw/zinc/53/96/61/1303539661.db2.gz YIMOAWYCPNJNAL-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)CC[NH+](C)CCC)Cc1cccnc1 ZINC001230906993 1303539664 /nfs/dbraw/zinc/53/96/64/1303539664.db2.gz YIMOAWYCPNJNAL-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)Cn1ccnc1C)Cc1cccnc1 ZINC001230922909 1303548052 /nfs/dbraw/zinc/54/80/52/1303548052.db2.gz ABXYMZIRYQOPBS-UHFFFAOYSA-N 2 1 341.459 2.171 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)Cc1cccnc1 ZINC001230922909 1303548062 /nfs/dbraw/zinc/54/80/62/1303548062.db2.gz ABXYMZIRYQOPBS-UHFFFAOYSA-N 2 1 341.459 2.171 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111794721 1303897875 /nfs/dbraw/zinc/89/78/75/1303897875.db2.gz GTHUTHDTMSLWKV-PXNSSMCTSA-N 2 1 342.487 2.455 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001115341714 1304970549 /nfs/dbraw/zinc/97/05/49/1304970549.db2.gz JNFVZAQLIULDFT-RUYXUALKSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001115341714 1304970551 /nfs/dbraw/zinc/97/05/51/1304970551.db2.gz JNFVZAQLIULDFT-RUYXUALKSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115341714 1304970553 /nfs/dbraw/zinc/97/05/53/1304970553.db2.gz JNFVZAQLIULDFT-RUYXUALKSA-N 2 1 327.472 2.131 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115341714 1304970555 /nfs/dbraw/zinc/97/05/55/1304970555.db2.gz JNFVZAQLIULDFT-RUYXUALKSA-N 2 1 327.472 2.131 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](CC(C)(C)CO)CC3)cc1C#N ZINC001277967903 1305388322 /nfs/dbraw/zinc/38/83/22/1305388322.db2.gz KXFZNIRBUDQFHK-UHFFFAOYSA-N 2 1 344.503 2.203 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCCC1 ZINC001115591874 1305463984 /nfs/dbraw/zinc/46/39/84/1305463984.db2.gz JKCUVXYRMSGYCQ-ZWKOTPCHSA-N 2 1 331.504 2.435 20 30 EEEDMP C=CCCCCCCCC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309473 1305558598 /nfs/dbraw/zinc/55/85/98/1305558598.db2.gz LKVATUJUCGOTBU-UHFFFAOYSA-N 3 1 326.529 2.019 20 30 EEEDMP C=CCCCCCCCC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309473 1305558604 /nfs/dbraw/zinc/55/86/04/1305558604.db2.gz LKVATUJUCGOTBU-UHFFFAOYSA-N 3 1 326.529 2.019 20 30 EEEDMP C=CCOc1ccc(C[N@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)cc1 ZINC001237412845 1305925129 /nfs/dbraw/zinc/92/51/29/1305925129.db2.gz VMMCBUJBIKICEL-SFHVURJKSA-N 2 1 344.455 2.226 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120401639 1309512095 /nfs/dbraw/zinc/51/20/95/1309512095.db2.gz KQAKQVDEUPZMGN-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120401639 1309512098 /nfs/dbraw/zinc/51/20/98/1309512098.db2.gz KQAKQVDEUPZMGN-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C(=O)OCC ZINC001245982475 1310201853 /nfs/dbraw/zinc/20/18/53/1310201853.db2.gz PKKZJJHUHMOTKL-GVDBMIGSSA-N 2 1 326.481 2.005 20 30 EEEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@@H](C[NH3+])C3)CC2)cc1 ZINC001246584884 1310349101 /nfs/dbraw/zinc/34/91/01/1310349101.db2.gz WEKPRTWDJHQSDU-KRWDZBQOSA-N 2 1 340.471 2.224 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160293465 1320125209 /nfs/dbraw/zinc/12/52/09/1320125209.db2.gz YBAMYWUGZAWWRH-UHFFFAOYSA-N 2 1 331.485 2.195 20 30 EEEDMP CC(=NN1CC[NH+](C)CC1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000839382873 1315208377 /nfs/dbraw/zinc/20/83/77/1315208377.db2.gz ASCQXCUAAPDPRC-UHFFFAOYSA-N 2 1 330.476 2.350 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150022472 1316128545 /nfs/dbraw/zinc/12/85/45/1316128545.db2.gz NUFXLGBQFRIIQK-RTBURBONSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761351 1316367445 /nfs/dbraw/zinc/36/74/45/1316367445.db2.gz MVRORIJTOUXKRV-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP C=C[C@@](C)(O)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001252552575 1317634692 /nfs/dbraw/zinc/63/46/92/1317634692.db2.gz KNMJBGDQPRKWJA-QGZVFWFLSA-N 2 1 336.501 2.352 20 30 EEEDMP C=C[C@@](C)(O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001252552575 1317634697 /nfs/dbraw/zinc/63/46/97/1317634697.db2.gz KNMJBGDQPRKWJA-QGZVFWFLSA-N 2 1 336.501 2.352 20 30 EEEDMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662005 1318158561 /nfs/dbraw/zinc/15/85/61/1318158561.db2.gz ATOZJHVDKALEEQ-QQXKLLMISA-N 2 1 342.491 2.144 20 30 EEEDMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662005 1318158563 /nfs/dbraw/zinc/15/85/63/1318158563.db2.gz ATOZJHVDKALEEQ-QQXKLLMISA-N 2 1 342.491 2.144 20 30 EEEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662005 1318158567 /nfs/dbraw/zinc/15/85/67/1318158567.db2.gz ATOZJHVDKALEEQ-QQXKLLMISA-N 2 1 342.491 2.144 20 30 EEEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254662005 1318158571 /nfs/dbraw/zinc/15/85/71/1318158571.db2.gz ATOZJHVDKALEEQ-QQXKLLMISA-N 2 1 342.491 2.144 20 30 EEEDMP CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927997 1318293116 /nfs/dbraw/zinc/29/31/16/1318293116.db2.gz RITRNADJPRPVOV-QGZVFWFLSA-N 2 1 345.462 2.100 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF)CC1 ZINC001157092032 1318396077 /nfs/dbraw/zinc/39/60/77/1318396077.db2.gz FXPNTLVDMKTNAY-QGZVFWFLSA-N 2 1 339.499 2.298 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001158428338 1319233658 /nfs/dbraw/zinc/23/36/58/1319233658.db2.gz FDEBBPDSYGFQDW-CRAIPNDOSA-N 2 1 347.890 2.128 20 30 EEEDMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001158449845 1319246299 /nfs/dbraw/zinc/24/62/99/1319246299.db2.gz HPPXRILULVFCCX-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001158667252 1319365375 /nfs/dbraw/zinc/36/53/75/1319365375.db2.gz MWVZABYJGDFMMT-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001158667252 1319365384 /nfs/dbraw/zinc/36/53/84/1319365384.db2.gz MWVZABYJGDFMMT-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001159839080 1320001749 /nfs/dbraw/zinc/00/17/49/1320001749.db2.gz TVYODKAFESJKJL-IBGZPJMESA-N 2 1 342.487 2.132 20 30 EEEDMP C[Si](C)(C)C#Cc1ccnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c1 ZINC001160519544 1320182690 /nfs/dbraw/zinc/18/26/90/1320182690.db2.gz NIWVCQMTGPXMTR-GOSISDBHSA-N 2 1 328.536 2.146 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160568425 1320201289 /nfs/dbraw/zinc/20/12/89/1320201289.db2.gz UXVWYOKCQBQKLD-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568425 1320201293 /nfs/dbraw/zinc/20/12/93/1320201293.db2.gz UXVWYOKCQBQKLD-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568425 1320201297 /nfs/dbraw/zinc/20/12/97/1320201297.db2.gz UXVWYOKCQBQKLD-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161899164 1320667210 /nfs/dbraw/zinc/66/72/10/1320667210.db2.gz LRVLHQKYXIPUIA-UHFFFAOYSA-N 2 1 331.504 2.414 20 30 EEEDMP N#Cc1c(NCC[C@H]2CC[NH2+]CC2(F)F)ncc2c1CCC[NH2+]C2 ZINC001162808986 1320964256 /nfs/dbraw/zinc/96/42/56/1320964256.db2.gz ZYZBABFKCHRZCG-CYBMUJFWSA-N 2 1 335.402 2.036 20 30 EEEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165736163 1321575182 /nfs/dbraw/zinc/57/51/82/1321575182.db2.gz IGJCUCSOLQBFKY-ROUUACIJSA-N 2 1 349.519 2.082 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203824344 1321968979 /nfs/dbraw/zinc/96/89/79/1321968979.db2.gz ONKHCAQKYFIWKM-MSOLQXFVSA-N 2 1 327.472 2.321 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203824344 1321968980 /nfs/dbraw/zinc/96/89/80/1321968980.db2.gz ONKHCAQKYFIWKM-MSOLQXFVSA-N 2 1 327.472 2.321 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461828 1323146287 /nfs/dbraw/zinc/14/62/87/1323146287.db2.gz PCLVRZVDZBZSDF-HNNXBMFYSA-N 2 1 336.867 2.341 20 30 EEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001206057350 1323381194 /nfs/dbraw/zinc/38/11/94/1323381194.db2.gz SOORJNUBBIAUEN-KRWDZBQOSA-N 2 1 330.476 2.158 20 30 EEEDMP Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2cc3c[nH+]ccc3[nH]2)cc1C#N ZINC001279456410 1323907511 /nfs/dbraw/zinc/90/75/11/1323907511.db2.gz HKRIJZUYNKVZSL-KDURUIRLSA-N 2 1 346.438 2.232 20 30 EEEDMP Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2cc3c[nH+]ccc3[nH]2)cc1C#N ZINC001279456410 1323907513 /nfs/dbraw/zinc/90/75/13/1323907513.db2.gz HKRIJZUYNKVZSL-KDURUIRLSA-N 2 1 346.438 2.232 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001209650676 1324999816 /nfs/dbraw/zinc/99/98/16/1324999816.db2.gz JYANHUGJTJLOJW-LJQANCHMSA-N 2 1 329.488 2.318 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001210350414 1325250326 /nfs/dbraw/zinc/25/03/26/1325250326.db2.gz RAKWHGYDRXXZFP-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC001580069579 1344463109 /nfs/dbraw/zinc/46/31/09/1344463109.db2.gz DIKULRBJHSWCBH-LSDHHAIUSA-N 2 1 346.862 2.472 20 30 EEEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC001647559977 1353326026 /nfs/dbraw/zinc/32/60/26/1353326026.db2.gz POLYTWFVCNPVRF-MOPGFXCFSA-N 2 1 343.471 2.010 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071939139 1370582414 /nfs/dbraw/zinc/58/24/14/1370582414.db2.gz QNRFSYZJMSYRCJ-RDJZCZTQSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071939139 1370582420 /nfs/dbraw/zinc/58/24/20/1370582420.db2.gz QNRFSYZJMSYRCJ-RDJZCZTQSA-N 2 1 339.443 2.426 20 30 EEEDMP CC#CC[N@@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001752274715 1406255146 /nfs/dbraw/zinc/25/51/46/1406255146.db2.gz NZPPDVRICUUDSE-IBGZPJMESA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+](CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001752274715 1406255154 /nfs/dbraw/zinc/25/51/54/1406255154.db2.gz NZPPDVRICUUDSE-IBGZPJMESA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+](CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001752274715 1406255160 /nfs/dbraw/zinc/25/51/60/1406255160.db2.gz NZPPDVRICUUDSE-IBGZPJMESA-N 2 1 337.483 2.193 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCCC2)C1 ZINC001392021635 1389775016 /nfs/dbraw/zinc/77/50/16/1389775016.db2.gz HBGPMAUPLBYIHZ-GOSISDBHSA-N 2 1 340.471 2.029 20 30 EEEDMP C[N@@H+](CC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001398312563 1392164416 /nfs/dbraw/zinc/16/44/16/1392164416.db2.gz PVCAYQQLQFTUHM-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP C[N@H+](CC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001398312563 1392164458 /nfs/dbraw/zinc/16/44/58/1392164458.db2.gz PVCAYQQLQFTUHM-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001398312563 1392164460 /nfs/dbraw/zinc/16/44/60/1392164460.db2.gz PVCAYQQLQFTUHM-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001398312563 1392164506 /nfs/dbraw/zinc/16/45/06/1392164506.db2.gz PVCAYQQLQFTUHM-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)Cc1cc(C#N)ccc1F ZINC001399713700 1395432522 /nfs/dbraw/zinc/43/25/22/1395432522.db2.gz YPLWFRSOHDGLOE-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)Cc1cc(C#N)ccc1F ZINC001399713700 1395432527 /nfs/dbraw/zinc/43/25/27/1395432527.db2.gz YPLWFRSOHDGLOE-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)Cc1cc(C#N)ccc1F ZINC001399713700 1395432534 /nfs/dbraw/zinc/43/25/34/1395432534.db2.gz YPLWFRSOHDGLOE-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)Cc1cc(C#N)ccc1F ZINC001399713700 1395432538 /nfs/dbraw/zinc/43/25/38/1395432538.db2.gz YPLWFRSOHDGLOE-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)Cc1ccccc1C#N ZINC001422566170 1400028295 /nfs/dbraw/zinc/02/82/95/1400028295.db2.gz TYDHXERTODWZPQ-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)Cc1ccccc1C#N ZINC001422566170 1400028301 /nfs/dbraw/zinc/02/83/01/1400028301.db2.gz TYDHXERTODWZPQ-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)Cc1ccccc1C#N ZINC001422566170 1400028311 /nfs/dbraw/zinc/02/83/11/1400028311.db2.gz TYDHXERTODWZPQ-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)Cc1ccccc1C#N ZINC001422566170 1400028321 /nfs/dbraw/zinc/02/83/21/1400028321.db2.gz TYDHXERTODWZPQ-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001425906055 1401796774 /nfs/dbraw/zinc/79/67/74/1401796774.db2.gz FNFSQVSCQGIEFT-RHSMWYFYSA-N 2 1 346.450 2.118 20 30 EEEDMP CCCC[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001755361090 1407359880 /nfs/dbraw/zinc/35/98/80/1407359880.db2.gz LYLBPUNFMNLQBI-PMACEKPBSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(C)CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001734084976 1406029947 /nfs/dbraw/zinc/02/99/47/1406029947.db2.gz VKVDPLCYGFVHLD-GOSISDBHSA-N 2 1 337.508 2.034 20 30 EEEDMP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755520498 1407577947 /nfs/dbraw/zinc/57/79/47/1407577947.db2.gz JVJZTOKWYAPIHM-IAGOWNOFSA-N 2 1 342.487 2.275 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCCC)C(C)(C)C1 ZINC001755757438 1407816348 /nfs/dbraw/zinc/81/63/48/1407816348.db2.gz NABAZXKCDIDDPL-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCCC)C(C)(C)C1 ZINC001755757438 1407816351 /nfs/dbraw/zinc/81/63/51/1407816351.db2.gz NABAZXKCDIDDPL-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121232578 1410218065 /nfs/dbraw/zinc/21/80/65/1410218065.db2.gz FZQXIQGDSOAWNE-WZXTXQKWSA-N 2 1 331.504 2.290 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001075454165 760708686 /nfs/dbraw/zinc/70/86/86/760708686.db2.gz MOJMYJZNMJMXJQ-QWFCFKBJSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075454165 760708689 /nfs/dbraw/zinc/70/86/89/760708689.db2.gz MOJMYJZNMJMXJQ-QWFCFKBJSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075454165 760708696 /nfs/dbraw/zinc/70/86/96/760708696.db2.gz MOJMYJZNMJMXJQ-QWFCFKBJSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518578 761272679 /nfs/dbraw/zinc/27/26/79/761272679.db2.gz QGAUCKVYFICJDE-UWVAXJGDSA-N 2 1 342.487 2.158 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104742791 764956237 /nfs/dbraw/zinc/95/62/37/764956237.db2.gz LPKGOUJARJAUER-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067826 768990750 /nfs/dbraw/zinc/99/07/50/768990750.db2.gz XADBJRYQHZZPFY-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC(C)(C)C1 ZINC001089439787 769208943 /nfs/dbraw/zinc/20/89/43/769208943.db2.gz JEBQQQMFOWNKDY-INIZCTEOSA-N 2 1 342.487 2.002 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC(C)(C)C1 ZINC001089439787 769208944 /nfs/dbraw/zinc/20/89/44/769208944.db2.gz JEBQQQMFOWNKDY-INIZCTEOSA-N 2 1 342.487 2.002 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087994271 782736799 /nfs/dbraw/zinc/73/67/99/782736799.db2.gz ZPIFYBPMHSIRQT-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994271 782736804 /nfs/dbraw/zinc/73/68/04/782736804.db2.gz ZPIFYBPMHSIRQT-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994271 782736807 /nfs/dbraw/zinc/73/68/07/782736807.db2.gz ZPIFYBPMHSIRQT-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445847 769293446 /nfs/dbraw/zinc/29/34/46/769293446.db2.gz NBKPDJLZGOONMN-MSOLQXFVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445850 769293556 /nfs/dbraw/zinc/29/35/56/769293556.db2.gz NBKPDJLZGOONMN-ZWKOTPCHSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089539346 770167428 /nfs/dbraw/zinc/16/74/28/770167428.db2.gz LMPUESCIZDVVBL-INIZCTEOSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089539346 770167430 /nfs/dbraw/zinc/16/74/30/770167430.db2.gz LMPUESCIZDVVBL-INIZCTEOSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000948473358 782892739 /nfs/dbraw/zinc/89/27/39/782892739.db2.gz DVPRJDSQCNSVPP-QGZVFWFLSA-N 2 1 330.476 2.263 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088130038 782949719 /nfs/dbraw/zinc/94/97/19/782949719.db2.gz SVZYEFCYSKUYAJ-QRVBRYPASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942718970 783049639 /nfs/dbraw/zinc/04/96/39/783049639.db2.gz FAFUXWWZMWPQRW-PXNSSMCTSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942720486 783051854 /nfs/dbraw/zinc/05/18/54/783051854.db2.gz JLAQLTXEMKRMSY-NVXWUHKLSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942720486 783051859 /nfs/dbraw/zinc/05/18/59/783051859.db2.gz JLAQLTXEMKRMSY-NVXWUHKLSA-N 2 1 346.475 2.287 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089646269 773683069 /nfs/dbraw/zinc/68/30/69/773683069.db2.gz NBSNHLVFJJNPQN-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089646269 773683073 /nfs/dbraw/zinc/68/30/73/773683073.db2.gz NBSNHLVFJJNPQN-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089646269 773683077 /nfs/dbraw/zinc/68/30/77/773683077.db2.gz NBSNHLVFJJNPQN-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001089660840 774047585 /nfs/dbraw/zinc/04/75/85/774047585.db2.gz QGVYSXHODGFWSM-JKSUJKDBSA-N 2 1 330.476 2.238 20 30 EEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000981807923 778251098 /nfs/dbraw/zinc/25/10/98/778251098.db2.gz DPHWYNZXCBGCOV-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981807923 778251106 /nfs/dbraw/zinc/25/11/06/778251106.db2.gz DPHWYNZXCBGCOV-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981807923 778251114 /nfs/dbraw/zinc/25/11/14/778251114.db2.gz DPHWYNZXCBGCOV-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1occc1C[NH+](C)C ZINC001089856658 778342809 /nfs/dbraw/zinc/34/28/09/778342809.db2.gz ULSNNUHKEUBUNM-OWLYRPNTSA-N 2 1 343.471 2.310 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981959234 778666051 /nfs/dbraw/zinc/66/60/51/778666051.db2.gz KHBXQKZWKBQUHK-QGZVFWFLSA-N 2 1 330.476 2.254 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981959234 778666053 /nfs/dbraw/zinc/66/60/53/778666053.db2.gz KHBXQKZWKBQUHK-QGZVFWFLSA-N 2 1 330.476 2.254 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC000982161361 779201375 /nfs/dbraw/zinc/20/13/75/779201375.db2.gz PVOVLSKCPJEBPN-UHFFFAOYSA-N 2 1 339.483 2.310 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC2=CCCCC2)CC1 ZINC001028333171 780772640 /nfs/dbraw/zinc/77/26/40/780772640.db2.gz FGDMVZNIPIKZAH-HXUWFJFHSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001028334000 780785579 /nfs/dbraw/zinc/78/55/79/780785579.db2.gz UVVAOOLQUYKHHX-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001035184481 784020139 /nfs/dbraw/zinc/02/01/39/784020139.db2.gz LJISTCFBIZCRNR-GOSISDBHSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001035194933 784086091 /nfs/dbraw/zinc/08/60/91/784086091.db2.gz JADZVXYDLZPEEL-ASRSSLEJSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001035194933 784086098 /nfs/dbraw/zinc/08/60/98/784086098.db2.gz JADZVXYDLZPEEL-ASRSSLEJSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C/C=C\Cl)C2)CC1 ZINC001035194933 784086107 /nfs/dbraw/zinc/08/61/07/784086107.db2.gz JADZVXYDLZPEEL-ASRSSLEJSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C/C=C\Cl)C2)CC1 ZINC001035194933 784086116 /nfs/dbraw/zinc/08/61/16/784086116.db2.gz JADZVXYDLZPEEL-ASRSSLEJSA-N 2 1 349.906 2.151 20 30 EEEDMP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135783428 784423285 /nfs/dbraw/zinc/42/32/85/784423285.db2.gz ARFVGVMOJVITDL-CABCVRRESA-N 2 1 327.432 2.330 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135860363 784647981 /nfs/dbraw/zinc/64/79/81/784647981.db2.gz ATFMZLRKFOBWAA-GJZGRUSLSA-N 2 1 348.466 2.412 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135977316 784927191 /nfs/dbraw/zinc/92/71/91/784927191.db2.gz SBDQVQVHTCLHOO-HUUCEWRRSA-N 2 1 348.466 2.412 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442885 787253789 /nfs/dbraw/zinc/25/37/89/787253789.db2.gz PINLZARHBXDKHJ-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442885 787253794 /nfs/dbraw/zinc/25/37/94/787253794.db2.gz PINLZARHBXDKHJ-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442885 787253798 /nfs/dbraw/zinc/25/37/98/787253798.db2.gz PINLZARHBXDKHJ-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546839 787587550 /nfs/dbraw/zinc/58/75/50/787587550.db2.gz QSVUKLHQKOKRHA-YXJHDRRASA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546839 787587558 /nfs/dbraw/zinc/58/75/58/787587558.db2.gz QSVUKLHQKOKRHA-YXJHDRRASA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546839 787587563 /nfs/dbraw/zinc/58/75/63/787587563.db2.gz QSVUKLHQKOKRHA-YXJHDRRASA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cnc3C)CC[C@@H]2C1 ZINC000946875078 789135429 /nfs/dbraw/zinc/13/54/29/789135429.db2.gz DRUPNJGYPWYTPP-CALCHBBNSA-N 2 1 330.476 2.397 20 30 EEEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941772 789559212 /nfs/dbraw/zinc/55/92/12/789559212.db2.gz NFGOFVSMWPQAAW-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941772 789559220 /nfs/dbraw/zinc/55/92/20/789559220.db2.gz NFGOFVSMWPQAAW-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941772 789559228 /nfs/dbraw/zinc/55/92/28/789559228.db2.gz NFGOFVSMWPQAAW-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C#Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001144571861 789951219 /nfs/dbraw/zinc/95/12/19/789951219.db2.gz LECHGQTUWDUIMN-NHCUHLMSSA-N 2 1 334.467 2.355 20 30 EEEDMP C#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001144571861 789951223 /nfs/dbraw/zinc/95/12/23/789951223.db2.gz LECHGQTUWDUIMN-NHCUHLMSSA-N 2 1 334.467 2.355 20 30 EEEDMP C#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001144571861 789951229 /nfs/dbraw/zinc/95/12/29/789951229.db2.gz LECHGQTUWDUIMN-NHCUHLMSSA-N 2 1 334.467 2.355 20 30 EEEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001144571861 789951234 /nfs/dbraw/zinc/95/12/34/789951234.db2.gz LECHGQTUWDUIMN-NHCUHLMSSA-N 2 1 334.467 2.355 20 30 EEEDMP C#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001144571861 789951239 /nfs/dbraw/zinc/95/12/39/789951239.db2.gz LECHGQTUWDUIMN-NHCUHLMSSA-N 2 1 334.467 2.355 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942405 793035876 /nfs/dbraw/zinc/03/58/76/793035876.db2.gz PWTXDNVCXUVUSU-ZWKOTPCHSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040722657 793566363 /nfs/dbraw/zinc/56/63/63/793566363.db2.gz CARAJHMCBGSVDX-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001092604362 794137026 /nfs/dbraw/zinc/13/70/26/794137026.db2.gz HZHXYYHOLHWDFF-FVQBIDKESA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092604362 794137030 /nfs/dbraw/zinc/13/70/30/794137030.db2.gz HZHXYYHOLHWDFF-FVQBIDKESA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092604362 794137037 /nfs/dbraw/zinc/13/70/37/794137037.db2.gz HZHXYYHOLHWDFF-FVQBIDKESA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618313 794187450 /nfs/dbraw/zinc/18/74/50/794187450.db2.gz JLWAWNAZYQQCHT-DMRZNYOFSA-N 2 1 327.900 2.153 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618313 794187459 /nfs/dbraw/zinc/18/74/59/794187459.db2.gz JLWAWNAZYQQCHT-DMRZNYOFSA-N 2 1 327.900 2.153 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618313 794187465 /nfs/dbraw/zinc/18/74/65/794187465.db2.gz JLWAWNAZYQQCHT-DMRZNYOFSA-N 2 1 327.900 2.153 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000999390597 794403597 /nfs/dbraw/zinc/40/35/97/794403597.db2.gz GFEDORRZPBRPAX-OALUTQOASA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000999390597 794403605 /nfs/dbraw/zinc/40/36/05/794403605.db2.gz GFEDORRZPBRPAX-OALUTQOASA-N 2 1 343.446 2.004 20 30 EEEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CCO2 ZINC001093399529 795177961 /nfs/dbraw/zinc/17/79/61/795177961.db2.gz HIYFQDHWIRZGMR-AGYKMIKPSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249267 795288676 /nfs/dbraw/zinc/28/86/76/795288676.db2.gz FCKXGOIDHRLADV-ZACQAIPSSA-N 2 1 330.476 2.411 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036836349 795347310 /nfs/dbraw/zinc/34/73/10/795347310.db2.gz PJDVNVGGIFZKDI-IRXDYDNUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483921 796076718 /nfs/dbraw/zinc/07/67/18/796076718.db2.gz BTUAXRJMLKZFMK-RSPOEFSDSA-N 2 1 341.499 2.344 20 30 EEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483921 796076725 /nfs/dbraw/zinc/07/67/25/796076725.db2.gz BTUAXRJMLKZFMK-RSPOEFSDSA-N 2 1 341.499 2.344 20 30 EEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483921 796076728 /nfs/dbraw/zinc/07/67/28/796076728.db2.gz BTUAXRJMLKZFMK-RSPOEFSDSA-N 2 1 341.499 2.344 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094561753 796399065 /nfs/dbraw/zinc/39/90/65/796399065.db2.gz DOYDQWGIUBGANR-UYAOXDASSA-N 2 1 340.471 2.145 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094561753 796399069 /nfs/dbraw/zinc/39/90/69/796399069.db2.gz DOYDQWGIUBGANR-UYAOXDASSA-N 2 1 340.471 2.145 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C/C=C/Cl)C2)CC1 ZINC001036904550 796447197 /nfs/dbraw/zinc/44/71/97/796447197.db2.gz UAUWWYGGPOHBJX-LGNKUTNCSA-N 2 1 349.906 2.007 20 30 EEEDMP C[N@H+]1CC[C@@]2(CCN([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992056 797201248 /nfs/dbraw/zinc/20/12/48/797201248.db2.gz PWETXBIVTGMTBJ-TXPKVOOTSA-N 2 1 348.491 2.306 20 30 EEEDMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992056 797201250 /nfs/dbraw/zinc/20/12/50/797201250.db2.gz PWETXBIVTGMTBJ-TXPKVOOTSA-N 2 1 348.491 2.306 20 30 EEEDMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992056 797201254 /nfs/dbraw/zinc/20/12/54/797201254.db2.gz PWETXBIVTGMTBJ-TXPKVOOTSA-N 2 1 348.491 2.306 20 30 EEEDMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992056 797201257 /nfs/dbraw/zinc/20/12/57/797201257.db2.gz PWETXBIVTGMTBJ-TXPKVOOTSA-N 2 1 348.491 2.306 20 30 EEEDMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992056 797201261 /nfs/dbraw/zinc/20/12/61/797201261.db2.gz PWETXBIVTGMTBJ-TXPKVOOTSA-N 2 1 348.491 2.306 20 30 EEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174889702 797903095 /nfs/dbraw/zinc/90/30/95/797903095.db2.gz LIPKHZKSGKIEHA-HOTGVXAUSA-N 2 1 345.915 2.113 20 30 EEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174889702 797903100 /nfs/dbraw/zinc/90/31/00/797903100.db2.gz LIPKHZKSGKIEHA-HOTGVXAUSA-N 2 1 345.915 2.113 20 30 EEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262152 798058562 /nfs/dbraw/zinc/05/85/62/798058562.db2.gz CDDCUFRSTLFFMQ-LPHOPBHVSA-N 2 1 339.499 2.487 20 30 EEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262151 798059290 /nfs/dbraw/zinc/05/92/90/798059290.db2.gz CDDCUFRSTLFFMQ-APWZRJJASA-N 2 1 339.499 2.487 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)[C@H]2C)CC1 ZINC000994494880 798093747 /nfs/dbraw/zinc/09/37/47/798093747.db2.gz FWDNIIRKHKWIGA-QFBILLFUSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175730643 798208546 /nfs/dbraw/zinc/20/85/46/798208546.db2.gz NULNNPBWKMHJIY-MSOLQXFVSA-N 2 1 339.524 2.328 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382757 798287345 /nfs/dbraw/zinc/28/73/45/798287345.db2.gz UXUMLSLOZONBQF-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089382757 798287348 /nfs/dbraw/zinc/28/73/48/798287348.db2.gz UXUMLSLOZONBQF-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089382757 798287355 /nfs/dbraw/zinc/28/73/55/798287355.db2.gz UXUMLSLOZONBQF-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001032827213 798455038 /nfs/dbraw/zinc/45/50/38/798455038.db2.gz ADQHRPYOSSSFND-BXWFABGCSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2F)C1 ZINC001032827213 798455040 /nfs/dbraw/zinc/45/50/40/798455040.db2.gz ADQHRPYOSSSFND-BXWFABGCSA-N 2 1 343.446 2.175 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001176986365 798675259 /nfs/dbraw/zinc/67/52/59/798675259.db2.gz LVXLFJOLZLGSLY-GOSISDBHSA-N 2 1 346.450 2.168 20 30 EEEDMP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003158472 799317299 /nfs/dbraw/zinc/31/72/99/799317299.db2.gz IRUIVKIHGVPFBC-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003158472 799317301 /nfs/dbraw/zinc/31/73/01/799317301.db2.gz IRUIVKIHGVPFBC-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001150794489 799445596 /nfs/dbraw/zinc/44/55/96/799445596.db2.gz KQLSDLAICSWIPA-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001150794489 799445599 /nfs/dbraw/zinc/44/55/99/799445599.db2.gz KQLSDLAICSWIPA-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001150794489 799445604 /nfs/dbraw/zinc/44/56/04/799445604.db2.gz KQLSDLAICSWIPA-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001179371473 799903381 /nfs/dbraw/zinc/90/33/81/799903381.db2.gz RRYQBYOGPJOCBQ-GOSISDBHSA-N 2 1 339.524 2.328 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001180259334 800336518 /nfs/dbraw/zinc/33/65/18/800336518.db2.gz BWZGICLKPCAKDK-HXUWFJFHSA-N 2 1 341.499 2.256 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085646737 800969956 /nfs/dbraw/zinc/96/99/56/800969956.db2.gz OEHBWUMDVUOLAV-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001085646737 800969960 /nfs/dbraw/zinc/96/99/60/800969960.db2.gz OEHBWUMDVUOLAV-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCC1 ZINC001085646737 800969964 /nfs/dbraw/zinc/96/99/64/800969964.db2.gz OEHBWUMDVUOLAV-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCC1 ZINC001085646737 800969968 /nfs/dbraw/zinc/96/99/68/800969968.db2.gz OEHBWUMDVUOLAV-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001182001655 800992357 /nfs/dbraw/zinc/99/23/57/800992357.db2.gz SKHUMCJGHUETRE-WSTZPKSXSA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946616200 802175217 /nfs/dbraw/zinc/17/52/17/802175217.db2.gz ZAQLFICINKZOMR-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616200 802175220 /nfs/dbraw/zinc/17/52/20/802175220.db2.gz ZAQLFICINKZOMR-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616200 802175223 /nfs/dbraw/zinc/17/52/23/802175223.db2.gz ZAQLFICINKZOMR-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185119539 802359064 /nfs/dbraw/zinc/35/90/64/802359064.db2.gz FYHYNVIIVGXYFO-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004617520 802493976 /nfs/dbraw/zinc/49/39/76/802493976.db2.gz RBKJHUKTVNFNFS-GOSISDBHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004617520 802493979 /nfs/dbraw/zinc/49/39/79/802493979.db2.gz RBKJHUKTVNFNFS-GOSISDBHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001112964474 807714590 /nfs/dbraw/zinc/71/45/90/807714590.db2.gz XVRKURPGVDXCHW-HKUYNNGSSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001086609619 810043425 /nfs/dbraw/zinc/04/34/25/810043425.db2.gz OTLFFSGHOUQVTD-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001086609619 810043431 /nfs/dbraw/zinc/04/34/31/810043431.db2.gz OTLFFSGHOUQVTD-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001086609619 810043434 /nfs/dbraw/zinc/04/34/34/810043434.db2.gz OTLFFSGHOUQVTD-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114290613 810780794 /nfs/dbraw/zinc/78/07/94/810780794.db2.gz KSGFFILBBJJWTC-YRXWBPOGSA-N 2 1 331.504 2.121 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001129411175 810829507 /nfs/dbraw/zinc/82/95/07/810829507.db2.gz WQQINPLNJCHNJR-GOSISDBHSA-N 2 1 346.450 2.166 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001129411175 810829513 /nfs/dbraw/zinc/82/95/13/810829513.db2.gz WQQINPLNJCHNJR-GOSISDBHSA-N 2 1 346.450 2.166 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001129770361 810994433 /nfs/dbraw/zinc/99/44/33/810994433.db2.gz DXMVKFBIQDIBAY-YOEHRIQHSA-N 2 1 333.863 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001129770361 810994439 /nfs/dbraw/zinc/99/44/39/810994439.db2.gz DXMVKFBIQDIBAY-YOEHRIQHSA-N 2 1 333.863 2.204 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001130401751 811580575 /nfs/dbraw/zinc/58/05/75/811580575.db2.gz MGZWWNKISOKWAT-HNNXBMFYSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001130401751 811580577 /nfs/dbraw/zinc/58/05/77/811580577.db2.gz MGZWWNKISOKWAT-HNNXBMFYSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001130401751 811580583 /nfs/dbraw/zinc/58/05/83/811580583.db2.gz MGZWWNKISOKWAT-HNNXBMFYSA-N 2 1 347.507 2.122 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130412297 811600357 /nfs/dbraw/zinc/60/03/57/811600357.db2.gz NYPFESLJJAKEEF-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130399163 811610373 /nfs/dbraw/zinc/61/03/73/811610373.db2.gz OOTDORQRQCRUGF-NVXWUHKLSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[N@H+](C)CC)C1 ZINC001130438023 811667372 /nfs/dbraw/zinc/66/73/72/811667372.db2.gz IXDMLURPBQNOIU-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130438023 811667377 /nfs/dbraw/zinc/66/73/77/811667377.db2.gz IXDMLURPBQNOIU-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130438023 811667384 /nfs/dbraw/zinc/66/73/84/811667384.db2.gz IXDMLURPBQNOIU-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=CCCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001130450635 811683117 /nfs/dbraw/zinc/68/31/17/811683117.db2.gz RNYUZCYBNMTLCI-INIZCTEOSA-N 2 1 347.507 2.122 20 30 EEEDMP C=CCCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130450635 811683121 /nfs/dbraw/zinc/68/31/21/811683121.db2.gz RNYUZCYBNMTLCI-INIZCTEOSA-N 2 1 347.507 2.122 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130450635 811683127 /nfs/dbraw/zinc/68/31/27/811683127.db2.gz RNYUZCYBNMTLCI-INIZCTEOSA-N 2 1 347.507 2.122 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001131666843 813095860 /nfs/dbraw/zinc/09/58/60/813095860.db2.gz SZCXUEUTILUCFP-PKOBYXMFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001439946036 1093055690 /nfs/dbraw/zinc/05/56/90/1093055690.db2.gz VQBIYABOCHFWMO-QGZVFWFLSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001439946036 1093055698 /nfs/dbraw/zinc/05/56/98/1093055698.db2.gz VQBIYABOCHFWMO-QGZVFWFLSA-N 2 1 327.900 2.299 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001440599684 1093864112 /nfs/dbraw/zinc/86/41/12/1093864112.db2.gz QEPHBBJTPDYSSF-QFBILLFUSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001443272802 1097755595 /nfs/dbraw/zinc/75/55/95/1097755595.db2.gz PQWRPEBVAYTWHS-INIZCTEOSA-N 2 1 327.900 2.443 20 30 EEEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000491625622 246086330 /nfs/dbraw/zinc/08/63/30/246086330.db2.gz KQWITJBQMOXAND-QGZVFWFLSA-N 2 1 327.472 2.148 20 30 EEEDMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccn1 ZINC000270734279 256166173 /nfs/dbraw/zinc/16/61/73/256166173.db2.gz RYSJAVCXPGIWOP-UHFFFAOYSA-N 2 1 328.391 2.323 20 30 EEEDMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1C#N ZINC000374206829 154003943 /nfs/dbraw/zinc/00/39/43/154003943.db2.gz VGJIXJDQZYOIGZ-JENIJYKNSA-N 2 1 329.444 2.250 20 30 EEEDMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1C#N ZINC000374206829 154003947 /nfs/dbraw/zinc/00/39/47/154003947.db2.gz VGJIXJDQZYOIGZ-JENIJYKNSA-N 2 1 329.444 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735419 676393796 /nfs/dbraw/zinc/39/37/96/676393796.db2.gz FCEMSVULRJJGQL-JKSUJKDBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735419 676393798 /nfs/dbraw/zinc/39/37/98/676393798.db2.gz FCEMSVULRJJGQL-JKSUJKDBSA-N 2 1 325.884 2.148 20 30 EEEDMP O=C(CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NC(=O)NC1CC1 ZINC000328660968 465092552 /nfs/dbraw/zinc/09/25/52/465092552.db2.gz WIDVFGZFFVLHLT-CYBMUJFWSA-N 2 1 345.447 2.432 20 30 EEEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000358429972 465117589 /nfs/dbraw/zinc/11/75/89/465117589.db2.gz RPOHUUHVACILRP-QGZVFWFLSA-N 2 1 336.524 2.438 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000297460198 465257700 /nfs/dbraw/zinc/25/77/00/465257700.db2.gz MWCXQWBNSDTYQL-UHFFFAOYSA-N 2 1 344.503 2.283 20 30 EEEDMP C=CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000261898242 463892547 /nfs/dbraw/zinc/89/25/47/463892547.db2.gz VKJPAFJKKAMBPT-QAPCUYQASA-N 2 1 326.448 2.211 20 30 EEEDMP CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261978857 463916486 /nfs/dbraw/zinc/91/64/86/463916486.db2.gz OINGBXZBMLNLJA-HIFRSBDPSA-N 2 1 348.520 2.180 20 30 EEEDMP CC[N@@H+]1CCC[C@@H]1CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278594982 463973349 /nfs/dbraw/zinc/97/33/49/463973349.db2.gz HHZLBMCEHGAODA-GOSISDBHSA-N 2 1 338.459 2.433 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278594982 463973353 /nfs/dbraw/zinc/97/33/53/463973353.db2.gz HHZLBMCEHGAODA-GOSISDBHSA-N 2 1 338.459 2.433 20 30 EEEDMP COc1ccc(CCNC(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000264075653 464279737 /nfs/dbraw/zinc/27/97/37/464279737.db2.gz FRBLKMNWDKRMAK-HNNXBMFYSA-N 2 1 348.491 2.025 20 30 EEEDMP CCCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1OC ZINC000264133322 464286695 /nfs/dbraw/zinc/28/66/95/464286695.db2.gz YSKCMTUTRNNHIS-INIZCTEOSA-N 2 1 348.491 2.373 20 30 EEEDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000293637641 464415358 /nfs/dbraw/zinc/41/53/58/464415358.db2.gz ROAUZZMQQHZTHA-UXHICEINSA-N 2 1 326.488 2.428 20 30 EEEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)N(C)CCC#N)C1 ZINC000245685391 464506401 /nfs/dbraw/zinc/50/64/01/464506401.db2.gz KUDDMUGAHDFRGJ-MSOLQXFVSA-N 2 1 334.508 2.335 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nc(C(F)(F)F)cs1 ZINC000267430410 464932488 /nfs/dbraw/zinc/93/24/88/464932488.db2.gz MLIKLINISYTDBP-SNVBAGLBSA-N 2 1 349.426 2.093 20 30 EEEDMP C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)([NH+](C)C)C1 ZINC000329964651 465489652 /nfs/dbraw/zinc/48/96/52/465489652.db2.gz TXFWJTJUXYZIMA-MDZRGWNJSA-N 2 1 347.507 2.460 20 30 EEEDMP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000424138060 466987523 /nfs/dbraw/zinc/98/75/23/466987523.db2.gz SZXAZIHDXMQNBU-ROUUACIJSA-N 2 1 328.460 2.131 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000381352694 467374799 /nfs/dbraw/zinc/37/47/99/467374799.db2.gz FGEIQIIRFVTRHZ-HNNXBMFYSA-N 2 1 325.250 2.027 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000381352694 467374802 /nfs/dbraw/zinc/37/48/02/467374802.db2.gz FGEIQIIRFVTRHZ-HNNXBMFYSA-N 2 1 325.250 2.027 20 30 EEEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592066067 468610346 /nfs/dbraw/zinc/61/03/46/468610346.db2.gz GUUMLWJOBNMQDM-ROUUACIJSA-N 2 1 328.460 2.036 20 30 EEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000602542121 469354866 /nfs/dbraw/zinc/35/48/66/469354866.db2.gz UBWHBSFXKACGMB-KRWDZBQOSA-N 2 1 335.492 2.320 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660705221 471452443 /nfs/dbraw/zinc/45/24/43/471452443.db2.gz TXUTZJRKLLZZKQ-QGZVFWFLSA-N 2 1 334.508 2.343 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000291923139 526931299 /nfs/dbraw/zinc/93/12/99/526931299.db2.gz RWERIFDWZUNICJ-XLIONFOSSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291452216 527025803 /nfs/dbraw/zinc/02/58/03/527025803.db2.gz MDLIEIQINIDUTO-SFHVURJKSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000752418975 577770750 /nfs/dbraw/zinc/77/07/50/577770750.db2.gz BEVOYEONRCRLGO-ACBHZAAOSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000752418975 577770751 /nfs/dbraw/zinc/77/07/51/577770751.db2.gz BEVOYEONRCRLGO-ACBHZAAOSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCCC2)C1 ZINC000969866188 675267749 /nfs/dbraw/zinc/26/77/49/675267749.db2.gz USZWUHDSLFTNPD-PXNSSMCTSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCCC2)C1 ZINC000969866188 675267751 /nfs/dbraw/zinc/26/77/51/675267751.db2.gz USZWUHDSLFTNPD-PXNSSMCTSA-N 2 1 345.531 2.491 20 30 EEEDMP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C[C@H]1CCOC1 ZINC000261598001 676333706 /nfs/dbraw/zinc/33/37/06/676333706.db2.gz AGRATZDOGYDNJA-IXDOHACOSA-N 2 1 338.540 2.287 20 30 EEEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261665044 676377161 /nfs/dbraw/zinc/37/71/61/676377161.db2.gz GGPFHOAVQCSBRN-SPUZQDLCSA-N 2 1 346.519 2.126 20 30 EEEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261665044 676377164 /nfs/dbraw/zinc/37/71/64/676377164.db2.gz GGPFHOAVQCSBRN-SPUZQDLCSA-N 2 1 346.519 2.126 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2cncn2C)C1 ZINC001021723197 676382444 /nfs/dbraw/zinc/38/24/44/676382444.db2.gz DCGMHROZAQFMQQ-WMZOPIPTSA-N 2 1 330.476 2.242 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2cncn2C)C1 ZINC001021723193 676382471 /nfs/dbraw/zinc/38/24/71/676382471.db2.gz DCGMHROZAQFMQQ-AEFFLSMTSA-N 2 1 330.476 2.242 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000972858424 679825288 /nfs/dbraw/zinc/82/52/88/679825288.db2.gz YBLAISYLGDOTIN-HZPDHXFCSA-N 2 1 346.500 2.041 20 30 EEEDMP CN1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000972858424 679825290 /nfs/dbraw/zinc/82/52/90/679825290.db2.gz YBLAISYLGDOTIN-HZPDHXFCSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001023481689 679334734 /nfs/dbraw/zinc/33/47/34/679334734.db2.gz LNCGATIPEGTUAG-MRXNPFEDSA-N 2 1 339.443 2.285 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588969 679398132 /nfs/dbraw/zinc/39/81/32/679398132.db2.gz QGDRBEDPALEQRK-IBGZPJMESA-N 2 1 341.499 2.256 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1C#N ZINC001024366921 679883808 /nfs/dbraw/zinc/88/38/08/679883808.db2.gz WFHMBYHSQQNZAM-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1C#N ZINC001024366921 679883809 /nfs/dbraw/zinc/88/38/09/679883809.db2.gz WFHMBYHSQQNZAM-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001026894256 685260686 /nfs/dbraw/zinc/26/06/86/685260686.db2.gz YSMMCAIOOFZLNB-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001026894256 685260692 /nfs/dbraw/zinc/26/06/92/685260692.db2.gz YSMMCAIOOFZLNB-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000984798813 685273649 /nfs/dbraw/zinc/27/36/49/685273649.db2.gz CAQANJHJTQVOOT-SNRMKQJTSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001024624025 681291025 /nfs/dbraw/zinc/29/10/25/681291025.db2.gz KTRWUCPMHMWYLQ-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624025 681291027 /nfs/dbraw/zinc/29/10/27/681291027.db2.gz KTRWUCPMHMWYLQ-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624025 681291030 /nfs/dbraw/zinc/29/10/30/681291030.db2.gz KTRWUCPMHMWYLQ-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982618552 681806278 /nfs/dbraw/zinc/80/62/78/681806278.db2.gz XGHDUGTYXIBOMA-NRSPTQNISA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641481 681938015 /nfs/dbraw/zinc/93/80/15/681938015.db2.gz NDVUFBCESKFEBF-LFGUQSLTSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982641481 681938018 /nfs/dbraw/zinc/93/80/18/681938018.db2.gz NDVUFBCESKFEBF-LFGUQSLTSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982641481 681938020 /nfs/dbraw/zinc/93/80/20/681938020.db2.gz NDVUFBCESKFEBF-LFGUQSLTSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@]2(C)C1 ZINC000982693956 682047611 /nfs/dbraw/zinc/04/76/11/682047611.db2.gz HAVHBACISOTFNJ-BGYRXZFFSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768170 682165704 /nfs/dbraw/zinc/16/57/04/682165704.db2.gz WLDUUMPUKRMDKB-IAGOWNOFSA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768170 682165705 /nfs/dbraw/zinc/16/57/05/682165705.db2.gz WLDUUMPUKRMDKB-IAGOWNOFSA-N 2 1 330.476 2.158 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261230 682354262 /nfs/dbraw/zinc/35/42/62/682354262.db2.gz UHVANWJNNFAXCH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281334 682391163 /nfs/dbraw/zinc/39/11/63/682391163.db2.gz TWMBQZAZIREISY-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597138 683079991 /nfs/dbraw/zinc/07/99/91/683079991.db2.gz NKYAMXPYOHNRKO-HZPDHXFCSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597138 683079996 /nfs/dbraw/zinc/07/99/96/683079996.db2.gz NKYAMXPYOHNRKO-HZPDHXFCSA-N 2 1 328.460 2.001 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025597496 683081090 /nfs/dbraw/zinc/08/10/90/683081090.db2.gz RAIMEWQOAOQZKO-LSDHHAIUSA-N 2 1 325.884 2.051 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCC=C)C2)CC1 ZINC001025630813 683168328 /nfs/dbraw/zinc/16/83/28/683168328.db2.gz WSLBGJWGIAFVOT-MJGOQNOKSA-N 2 1 331.504 2.124 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC000992738973 683341742 /nfs/dbraw/zinc/34/17/42/683341742.db2.gz IVECFPKWIQEIAJ-DJIMGWMZSA-N 2 1 346.475 2.143 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC000992920793 683653200 /nfs/dbraw/zinc/65/32/00/683653200.db2.gz QHPWOWXCISQLMF-ARFHVFGLSA-N 2 1 336.867 2.161 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001029767605 687036931 /nfs/dbraw/zinc/03/69/31/687036931.db2.gz VSILUAKAMPGBBP-RHSMWYFYSA-N 2 1 348.516 2.240 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000985594829 687281768 /nfs/dbraw/zinc/28/17/68/687281768.db2.gz DMOSDGDPPFRVER-IBGZPJMESA-N 2 1 349.519 2.129 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027332599 687515292 /nfs/dbraw/zinc/51/52/92/687515292.db2.gz OZOXLSHKSUSYFL-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](C[C@H](C)CC)CC2(C)C)CC1 ZINC000977659804 692889434 /nfs/dbraw/zinc/88/94/34/692889434.db2.gz YETWJJYPAOSMPU-AEFFLSMTSA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990686128 693219166 /nfs/dbraw/zinc/21/91/66/693219166.db2.gz NMNVXBLERVDVGU-QWFCFKBJSA-N 2 1 331.504 2.408 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001027581589 693257966 /nfs/dbraw/zinc/25/79/66/693257966.db2.gz GENMLEAWKUFCSE-OALUTQOASA-N 2 1 342.487 2.321 20 30 EEEDMP C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168318795 1188288526 /nfs/dbraw/zinc/28/85/26/1188288526.db2.gz GQBPTOATXWCDGD-LEOMRAHMSA-N 2 1 347.507 2.273 20 30 EEEDMP C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168318795 1188288528 /nfs/dbraw/zinc/28/85/28/1188288528.db2.gz GQBPTOATXWCDGD-LEOMRAHMSA-N 2 1 347.507 2.273 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001076162001 1188757284 /nfs/dbraw/zinc/75/72/84/1188757284.db2.gz YSKNKRBZWZUAKR-GVDBMIGSSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076162001 1188757287 /nfs/dbraw/zinc/75/72/87/1188757287.db2.gz YSKNKRBZWZUAKR-GVDBMIGSSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076162001 1188757289 /nfs/dbraw/zinc/75/72/89/1188757289.db2.gz YSKNKRBZWZUAKR-GVDBMIGSSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076162001 1188757290 /nfs/dbraw/zinc/75/72/90/1188757290.db2.gz YSKNKRBZWZUAKR-GVDBMIGSSA-N 2 1 339.911 2.394 20 30 EEEDMP C[NH+]1CCC(CC[N@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001273039773 1194344268 /nfs/dbraw/zinc/34/42/68/1194344268.db2.gz VBBOMZFNKOJILN-HXUWFJFHSA-N 2 1 346.519 2.479 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033440470 1194571488 /nfs/dbraw/zinc/57/14/88/1194571488.db2.gz PYPOTHDFCDHVMO-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033440470 1194571490 /nfs/dbraw/zinc/57/14/90/1194571490.db2.gz PYPOTHDFCDHVMO-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033440470 1194571492 /nfs/dbraw/zinc/57/14/92/1194571492.db2.gz PYPOTHDFCDHVMO-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033954277 1195555861 /nfs/dbraw/zinc/55/58/61/1195555861.db2.gz RCHABTYTNKSAMM-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033954277 1195555862 /nfs/dbraw/zinc/55/58/62/1195555862.db2.gz RCHABTYTNKSAMM-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332376 1196102438 /nfs/dbraw/zinc/10/24/38/1196102438.db2.gz YGWYNKJGEGWGDI-IBGZPJMESA-N 2 1 341.499 2.398 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC=C(C)C)C2)CC1 ZINC001034537381 1196357411 /nfs/dbraw/zinc/35/74/11/1196357411.db2.gz AZTZXBPMJOYNIZ-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccccc1C#N ZINC001132270081 1199509384 /nfs/dbraw/zinc/50/93/84/1199509384.db2.gz QKDBABINMWARLI-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1C#N ZINC001132270081 1199509390 /nfs/dbraw/zinc/50/93/90/1199509390.db2.gz QKDBABINMWARLI-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519202 1199804513 /nfs/dbraw/zinc/80/45/13/1199804513.db2.gz VAXOGHLRVSCLOM-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)CCC ZINC001133410640 1200879164 /nfs/dbraw/zinc/87/91/64/1200879164.db2.gz SWMXUZVXFYIRAJ-UHFFFAOYSA-N 2 1 335.879 2.233 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001276242051 1205850317 /nfs/dbraw/zinc/85/03/17/1205850317.db2.gz FGIHHKLXPFCITB-UHFFFAOYSA-N 2 1 330.451 2.157 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111040570 1207676159 /nfs/dbraw/zinc/67/61/59/1207676159.db2.gz QWLJCKVQLAOYMP-MKXGPGLRSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000948705643 1209312885 /nfs/dbraw/zinc/31/28/85/1209312885.db2.gz ITKFANPRFOSWKE-HKUYNNGSSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CCO2 ZINC000949089153 1209531563 /nfs/dbraw/zinc/53/15/63/1209531563.db2.gz BEQHTXQMOOWUPU-GOSISDBHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000950631143 1210313591 /nfs/dbraw/zinc/31/35/91/1210313591.db2.gz ZXRAZMDOFXZFMR-MOPGFXCFSA-N 2 1 327.472 2.052 20 30 EEEDMP C=C(C)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000950631143 1210313595 /nfs/dbraw/zinc/31/35/95/1210313595.db2.gz ZXRAZMDOFXZFMR-MOPGFXCFSA-N 2 1 327.472 2.052 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000303971845 1213934210 /nfs/dbraw/zinc/93/42/10/1213934210.db2.gz FENUKHMIYZYQDK-HNNXBMFYSA-N 2 1 346.475 2.082 20 30 EEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603034 1215248304 /nfs/dbraw/zinc/24/83/04/1215248304.db2.gz LUVLUULLVWGJRP-QZTJIDSGSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)CC1 ZINC000957615274 1215258677 /nfs/dbraw/zinc/25/86/77/1215258677.db2.gz WSFXZCQYDNIHKS-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000959928368 1216237066 /nfs/dbraw/zinc/23/70/66/1216237066.db2.gz YNQIGGAZMCRPLS-YOEHRIQHSA-N 2 1 346.500 2.185 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC000960880257 1216958192 /nfs/dbraw/zinc/95/81/92/1216958192.db2.gz JIKUHUHCDPBIRQ-OALUTQOASA-N 2 1 342.487 2.321 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC000960880257 1216958194 /nfs/dbraw/zinc/95/81/94/1216958194.db2.gz JIKUHUHCDPBIRQ-OALUTQOASA-N 2 1 342.487 2.321 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2csc(C)c2)C1 ZINC000961940958 1217413731 /nfs/dbraw/zinc/41/37/31/1217413731.db2.gz RXVKUOVKBAXMMQ-VJFUWPCTSA-N 2 1 345.512 2.139 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2csc(C)c2)C1 ZINC000961940958 1217413733 /nfs/dbraw/zinc/41/37/33/1217413733.db2.gz RXVKUOVKBAXMMQ-VJFUWPCTSA-N 2 1 345.512 2.139 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963314772 1217506591 /nfs/dbraw/zinc/50/65/91/1217506591.db2.gz POYVZOSKXOZORR-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963314772 1217506596 /nfs/dbraw/zinc/50/65/96/1217506596.db2.gz POYVZOSKXOZORR-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357230 1217551186 /nfs/dbraw/zinc/55/11/86/1217551186.db2.gz IXGVXPKEDFDCGG-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963390117 1217587021 /nfs/dbraw/zinc/58/70/21/1217587021.db2.gz JINUFOAHDAMZOU-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000963912295 1218121885 /nfs/dbraw/zinc/12/18/85/1218121885.db2.gz IOYITJJJOUQTSN-IUDNXUCKSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1CC ZINC001037872893 1219733067 /nfs/dbraw/zinc/73/30/67/1219733067.db2.gz NLCRRRPXWDDPTG-AEFFLSMTSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000968497311 1221352847 /nfs/dbraw/zinc/35/28/47/1221352847.db2.gz JKLGAINYQJIJHB-APWZRJJASA-N 2 1 336.439 2.336 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000968956525 1221700518 /nfs/dbraw/zinc/70/05/18/1221700518.db2.gz PYGGHXJKHRWUEQ-IPELMVKDSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000968956525 1221700520 /nfs/dbraw/zinc/70/05/20/1221700520.db2.gz PYGGHXJKHRWUEQ-IPELMVKDSA-N 2 1 343.446 2.175 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969013956 1221739247 /nfs/dbraw/zinc/73/92/47/1221739247.db2.gz LHWUESVFFZDYFQ-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969013956 1221739249 /nfs/dbraw/zinc/73/92/49/1221739249.db2.gz LHWUESVFFZDYFQ-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014412044 1226587534 /nfs/dbraw/zinc/58/75/34/1226587534.db2.gz FDUROUZZFLVWSR-OALUTQOASA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014412044 1226587540 /nfs/dbraw/zinc/58/75/40/1226587540.db2.gz FDUROUZZFLVWSR-OALUTQOASA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001014412044 1226587545 /nfs/dbraw/zinc/58/75/45/1226587545.db2.gz FDUROUZZFLVWSR-OALUTQOASA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001014412044 1226587549 /nfs/dbraw/zinc/58/75/49/1226587549.db2.gz FDUROUZZFLVWSR-OALUTQOASA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001020251448 1229584000 /nfs/dbraw/zinc/58/40/00/1229584000.db2.gz NHZAPUBPBQHYEG-AXUOBQJMSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001020251448 1229584005 /nfs/dbraw/zinc/58/40/05/1229584005.db2.gz NHZAPUBPBQHYEG-AXUOBQJMSA-N 2 1 343.446 2.221 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039172664 1230398312 /nfs/dbraw/zinc/39/83/12/1230398312.db2.gz AYHIIIGXKPCDDB-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172664 1230398317 /nfs/dbraw/zinc/39/83/17/1230398317.db2.gz AYHIIIGXKPCDDB-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172664 1230398320 /nfs/dbraw/zinc/39/83/20/1230398320.db2.gz AYHIIIGXKPCDDB-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699993 1231340317 /nfs/dbraw/zinc/34/03/17/1231340317.db2.gz FYVUAVHVFOQPDM-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC=C(C)C)CC2 ZINC001040731892 1231351537 /nfs/dbraw/zinc/35/15/37/1231351537.db2.gz SSVLYLNFSAMLKS-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC=C(C)C)CC2 ZINC001040731892 1231351542 /nfs/dbraw/zinc/35/15/42/1231351542.db2.gz SSVLYLNFSAMLKS-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040817528 1231378611 /nfs/dbraw/zinc/37/86/11/1231378611.db2.gz SRDLCJJYWUHXBK-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3cnc[nH]3)C2)CC1 ZINC001040876416 1231393357 /nfs/dbraw/zinc/39/33/57/1231393357.db2.gz FWGSHBHHHRQLFN-MRXNPFEDSA-N 2 1 330.476 2.479 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001040882221 1231394955 /nfs/dbraw/zinc/39/49/55/1231394955.db2.gz AWSJADISDZFFDR-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041632760 1231631032 /nfs/dbraw/zinc/63/10/32/1231631032.db2.gz NFQLVVROJJCQDU-KRWDZBQOSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041632760 1231631033 /nfs/dbraw/zinc/63/10/33/1231631033.db2.gz NFQLVVROJJCQDU-KRWDZBQOSA-N 2 1 325.884 2.005 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001041680812 1231648336 /nfs/dbraw/zinc/64/83/36/1231648336.db2.gz VULHQLNXABRBKS-PMACEKPBSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041680812 1231648339 /nfs/dbraw/zinc/64/83/39/1231648339.db2.gz VULHQLNXABRBKS-PMACEKPBSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041680812 1231648342 /nfs/dbraw/zinc/64/83/42/1231648342.db2.gz VULHQLNXABRBKS-PMACEKPBSA-N 2 1 349.494 2.147 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041791247 1231696311 /nfs/dbraw/zinc/69/63/11/1231696311.db2.gz IGSKKKDVTVWPNO-IBGZPJMESA-N 2 1 328.460 2.262 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041791247 1231696312 /nfs/dbraw/zinc/69/63/12/1231696312.db2.gz IGSKKKDVTVWPNO-IBGZPJMESA-N 2 1 328.460 2.262 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845747 1231728683 /nfs/dbraw/zinc/72/86/83/1231728683.db2.gz PKMSCZVFTIHXGY-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063233 1231862281 /nfs/dbraw/zinc/86/22/81/1231862281.db2.gz SUABWCKJRSAPQV-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042112465 1231897140 /nfs/dbraw/zinc/89/71/40/1231897140.db2.gz RJSCJKADZFXVKP-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CC=C(C)C)[C@H]3C2)CC1 ZINC001042367569 1232049636 /nfs/dbraw/zinc/04/96/36/1232049636.db2.gz HZVUGUZRPZNQNZ-ICSRJNTNSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCC4CC4)[C@@H]3C2)CC1 ZINC001042369415 1232050812 /nfs/dbraw/zinc/05/08/12/1232050812.db2.gz XTSYZVGQBJSGRS-UYAOXDASSA-N 2 1 343.515 2.055 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001045385291 1233710203 /nfs/dbraw/zinc/71/02/03/1233710203.db2.gz KYKZMIWIVFEIGK-MRXNPFEDSA-N 2 1 346.500 2.185 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001045982007 1234274921 /nfs/dbraw/zinc/27/49/21/1234274921.db2.gz LSVSAXFQHZQFDZ-RTWAWAEBSA-N 2 1 343.515 2.200 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001045982007 1234274923 /nfs/dbraw/zinc/27/49/23/1234274923.db2.gz LSVSAXFQHZQFDZ-RTWAWAEBSA-N 2 1 343.515 2.200 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001045982007 1234274927 /nfs/dbraw/zinc/27/49/27/1234274927.db2.gz LSVSAXFQHZQFDZ-RTWAWAEBSA-N 2 1 343.515 2.200 20 30 EEEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047261338 1235768749 /nfs/dbraw/zinc/76/87/49/1235768749.db2.gz FCMZTJSECRNNEK-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3nccn3C1)C2 ZINC001048541863 1237920726 /nfs/dbraw/zinc/92/07/26/1237920726.db2.gz KFVVQOYWBAFFQE-ZJPYXAASSA-N 2 1 342.487 2.381 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860134 1239059092 /nfs/dbraw/zinc/05/90/92/1239059092.db2.gz IGHLXTIDXNLUBQ-ZACQAIPSSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860134 1239059099 /nfs/dbraw/zinc/05/90/99/1239059099.db2.gz IGHLXTIDXNLUBQ-ZACQAIPSSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860134 1239059107 /nfs/dbraw/zinc/05/91/07/1239059107.db2.gz IGHLXTIDXNLUBQ-ZACQAIPSSA-N 2 1 339.911 2.107 20 30 EEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC001000173736 1240023743 /nfs/dbraw/zinc/02/37/43/1240023743.db2.gz IOJIDWYVSRZKIH-MRXNPFEDSA-N 2 1 328.460 2.307 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC001000240345 1240093071 /nfs/dbraw/zinc/09/30/71/1240093071.db2.gz GURUWKBVEPHVKJ-IRXDYDNUSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049165790 1240164392 /nfs/dbraw/zinc/16/43/92/1240164392.db2.gz CRBGFGBRCQUURL-UEXGIBASSA-N 2 1 341.499 2.430 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001000939715 1241260228 /nfs/dbraw/zinc/26/02/28/1241260228.db2.gz SCSXOVINXJPGTH-UHFFFAOYSA-N 2 1 337.427 2.205 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240556 1245558493 /nfs/dbraw/zinc/55/84/93/1245558493.db2.gz BHJKSGIFYWDMAS-GGPKGHCWSA-N 2 1 331.504 2.075 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001101286162 1245612667 /nfs/dbraw/zinc/61/26/67/1245612667.db2.gz LPMXRXMSJCLSHN-XLIONFOSSA-N 2 1 342.487 2.264 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027114 1245705039 /nfs/dbraw/zinc/70/50/39/1245705039.db2.gz AFHNEQRVUZWQEM-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053086086 1245859759 /nfs/dbraw/zinc/85/97/59/1245859759.db2.gz AYFMXPBDPBWSRF-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053086086 1245859766 /nfs/dbraw/zinc/85/97/66/1245859766.db2.gz AYFMXPBDPBWSRF-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053086086 1245859771 /nfs/dbraw/zinc/85/97/71/1245859771.db2.gz AYFMXPBDPBWSRF-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)CO2 ZINC001053946246 1247050033 /nfs/dbraw/zinc/05/00/33/1247050033.db2.gz QTMVFVKDKCULDT-ZWKOTPCHSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)CO2 ZINC001053946246 1247050040 /nfs/dbraw/zinc/05/00/40/1247050040.db2.gz QTMVFVKDKCULDT-ZWKOTPCHSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001071243835 1254089396 /nfs/dbraw/zinc/08/93/96/1254089396.db2.gz MAHWBBBCAJONJP-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074812118 1257148937 /nfs/dbraw/zinc/14/89/37/1257148937.db2.gz XXAKXMJXTBJKAD-SNRMKQJTSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001074880720 1257190373 /nfs/dbraw/zinc/19/03/73/1257190373.db2.gz VOWAOZGNOLREFD-RLFYNMQTSA-N 2 1 325.472 2.354 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099115988 1257977714 /nfs/dbraw/zinc/97/77/14/1257977714.db2.gz MHAZLYNHDCITNE-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115988 1257977718 /nfs/dbraw/zinc/97/77/18/1257977718.db2.gz MHAZLYNHDCITNE-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115988 1257977724 /nfs/dbraw/zinc/97/77/24/1257977724.db2.gz MHAZLYNHDCITNE-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](C[C@@H](C)CC)C3)CC1 ZINC001099174508 1257993183 /nfs/dbraw/zinc/99/31/83/1257993183.db2.gz QGSIGHVCJWAVGD-CUWPLCDZSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519449 1258188007 /nfs/dbraw/zinc/18/80/07/1258188007.db2.gz HXPFNUZRZNCCAP-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)[C@@H]2C1 ZINC001190467650 1280916230 /nfs/dbraw/zinc/91/62/30/1280916230.db2.gz WZSSLEOYZUKSMP-RBUKOAKNSA-N 2 1 327.472 2.227 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190467650 1280916232 /nfs/dbraw/zinc/91/62/32/1280916232.db2.gz WZSSLEOYZUKSMP-RBUKOAKNSA-N 2 1 327.472 2.227 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190467650 1280916235 /nfs/dbraw/zinc/91/62/35/1280916235.db2.gz WZSSLEOYZUKSMP-RBUKOAKNSA-N 2 1 327.472 2.227 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190467650 1280916245 /nfs/dbraw/zinc/91/62/45/1280916245.db2.gz WZSSLEOYZUKSMP-RBUKOAKNSA-N 2 1 327.472 2.227 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190467650 1280916251 /nfs/dbraw/zinc/91/62/51/1280916251.db2.gz WZSSLEOYZUKSMP-RBUKOAKNSA-N 2 1 327.472 2.227 20 30 EEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192353346 1281944852 /nfs/dbraw/zinc/94/48/52/1281944852.db2.gz CMXAQIAODSTOQG-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192353346 1281944853 /nfs/dbraw/zinc/94/48/53/1281944853.db2.gz CMXAQIAODSTOQG-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354547 1281946065 /nfs/dbraw/zinc/94/60/65/1281946065.db2.gz MQVUZKUUOSQAOV-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354547 1281946070 /nfs/dbraw/zinc/94/60/70/1281946070.db2.gz MQVUZKUUOSQAOV-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001192407197 1281977008 /nfs/dbraw/zinc/97/70/08/1281977008.db2.gz SFJRIMZGGBJMAZ-IBGZPJMESA-N 2 1 329.488 2.270 20 30 EEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192407197 1281977009 /nfs/dbraw/zinc/97/70/09/1281977009.db2.gz SFJRIMZGGBJMAZ-IBGZPJMESA-N 2 1 329.488 2.270 20 30 EEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192407197 1281977010 /nfs/dbraw/zinc/97/70/10/1281977010.db2.gz SFJRIMZGGBJMAZ-IBGZPJMESA-N 2 1 329.488 2.270 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196129040 1283912108 /nfs/dbraw/zinc/91/21/08/1283912108.db2.gz HJXMUAAFFVXIKG-KZNAEPCWSA-N 2 1 341.540 2.239 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)CCCO1 ZINC001201668988 1289708328 /nfs/dbraw/zinc/70/83/28/1289708328.db2.gz NVUXJCMEJBXMQP-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001202503925 1294900584 /nfs/dbraw/zinc/90/05/84/1294900584.db2.gz PWNLZQQBGQFCHJ-GOSISDBHSA-N 2 1 325.472 2.356 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095258 1295236079 /nfs/dbraw/zinc/23/60/79/1295236079.db2.gz GXDHCWNOPNLAFE-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC001218363460 1297642605 /nfs/dbraw/zinc/64/26/05/1297642605.db2.gz TZBJLPJUZHDZSK-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC001218363460 1297642614 /nfs/dbraw/zinc/64/26/14/1297642614.db2.gz TZBJLPJUZHDZSK-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714103 1299002208 /nfs/dbraw/zinc/00/22/08/1299002208.db2.gz NQZYFIGFQOXDQV-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714103 1299002223 /nfs/dbraw/zinc/00/22/23/1299002223.db2.gz NQZYFIGFQOXDQV-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714103 1299002247 /nfs/dbraw/zinc/00/22/47/1299002247.db2.gz NQZYFIGFQOXDQV-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CCOC(=O)[C@@]12C[N@H+](Cc3ccc(C)c(C#N)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222131583 1299375921 /nfs/dbraw/zinc/37/59/21/1299375921.db2.gz XSSCUVFASLFSAR-ICSRJNTNSA-N 2 1 341.455 2.231 20 30 EEEDMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(C)c(C#N)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222131583 1299375934 /nfs/dbraw/zinc/37/59/34/1299375934.db2.gz XSSCUVFASLFSAR-ICSRJNTNSA-N 2 1 341.455 2.231 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1 ZINC001222913808 1299917931 /nfs/dbraw/zinc/91/79/31/1299917931.db2.gz XEWFIDZLROVNKJ-QYZOEREBSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCCCF)[C@H]2C1 ZINC001222913808 1299917935 /nfs/dbraw/zinc/91/79/35/1299917935.db2.gz XEWFIDZLROVNKJ-QYZOEREBSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1 ZINC001222913808 1299917941 /nfs/dbraw/zinc/91/79/41/1299917941.db2.gz XEWFIDZLROVNKJ-QYZOEREBSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCCCF)[C@H]2C1 ZINC001222913808 1299917944 /nfs/dbraw/zinc/91/79/44/1299917944.db2.gz XEWFIDZLROVNKJ-QYZOEREBSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCCCF)[C@H]2C1 ZINC001222913808 1299917948 /nfs/dbraw/zinc/91/79/48/1299917948.db2.gz XEWFIDZLROVNKJ-QYZOEREBSA-N 2 1 349.494 2.147 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223684608 1300225688 /nfs/dbraw/zinc/22/56/88/1300225688.db2.gz UPXPOTGRIXPZAX-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223684608 1300225695 /nfs/dbraw/zinc/22/56/95/1300225695.db2.gz UPXPOTGRIXPZAX-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001224796912 1300741208 /nfs/dbraw/zinc/74/12/08/1300741208.db2.gz UYLNZWCACAFEBI-RTBURBONSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495861 1303035443 /nfs/dbraw/zinc/03/54/43/1303035443.db2.gz WGACXJADTOREIW-CEXWTWQISA-N 2 1 333.520 2.348 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001230284595 1303141791 /nfs/dbraw/zinc/14/17/91/1303141791.db2.gz MNJXQHKZAKRLKZ-IAGOWNOFSA-N 2 1 348.516 2.477 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001230347713 1303172360 /nfs/dbraw/zinc/17/23/60/1303172360.db2.gz IKNMZPOTQQENHF-RTBURBONSA-N 2 1 327.472 2.159 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001230347713 1303172365 /nfs/dbraw/zinc/17/23/65/1303172365.db2.gz IKNMZPOTQQENHF-RTBURBONSA-N 2 1 327.472 2.159 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001235280405 1305176126 /nfs/dbraw/zinc/17/61/26/1305176126.db2.gz JJUKMNLLXIDJNV-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CCCCC1 ZINC001115690940 1305621269 /nfs/dbraw/zinc/62/12/69/1305621269.db2.gz DHGRRCHCKHPQBL-QGZVFWFLSA-N 2 1 337.508 2.080 20 30 EEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001121117710 1309920855 /nfs/dbraw/zinc/92/08/55/1309920855.db2.gz QTANJENPUCBOPT-RJKRPDFYSA-N 2 1 331.504 2.454 20 30 EEEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246314661 1310278937 /nfs/dbraw/zinc/27/89/37/1310278937.db2.gz YIZWQTSZYJFDTI-KRWDZBQOSA-N 3 1 337.508 2.115 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001161041656 1320365599 /nfs/dbraw/zinc/36/55/99/1320365599.db2.gz KURUYQHCOLLBPR-SFHVURJKSA-N 2 1 347.890 2.272 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001150452630 1316267586 /nfs/dbraw/zinc/26/75/86/1316267586.db2.gz HLNYFTWHPFHKSJ-ROUUACIJSA-N 2 1 339.524 2.136 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930703 1316918999 /nfs/dbraw/zinc/91/89/99/1316918999.db2.gz XOZRQQBCKWTGFQ-APWZRJJASA-N 2 1 344.503 2.471 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC001156201136 1317918280 /nfs/dbraw/zinc/91/82/80/1317918280.db2.gz WKTMEANQVGJJCB-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC001156201136 1317918281 /nfs/dbraw/zinc/91/82/81/1317918281.db2.gz WKTMEANQVGJJCB-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001157886257 1318916904 /nfs/dbraw/zinc/91/69/04/1318916904.db2.gz DEKBRGWXQXVKJV-GOSISDBHSA-N 2 1 346.450 2.166 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001161649512 1320570026 /nfs/dbraw/zinc/57/00/26/1320570026.db2.gz KQPKOYDGPJGZSF-LJQANCHMSA-N 2 1 342.487 2.275 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001162810825 1320965305 /nfs/dbraw/zinc/96/53/05/1320965305.db2.gz RFXMDVDQLRNIJN-VQTJNVASSA-N 2 1 341.499 2.011 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001162928847 1320990111 /nfs/dbraw/zinc/99/01/11/1320990111.db2.gz PQDGVZPJLUUDTJ-LJQANCHMSA-N 2 1 341.499 2.012 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C(C)C ZINC001163007319 1321012219 /nfs/dbraw/zinc/01/22/19/1321012219.db2.gz QPXBNZIJPZPMSQ-UHFFFAOYSA-N 2 1 329.488 2.011 20 30 EEEDMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001264997684 1322845678 /nfs/dbraw/zinc/84/56/78/1322845678.db2.gz PSKMMKALSDXRMK-SFHVURJKSA-N 2 1 348.466 2.222 20 30 EEEDMP C=CCN(CC=C)CCN1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208111240 1324321875 /nfs/dbraw/zinc/32/18/75/1324321875.db2.gz IGZZFWFPUYVPPS-UHFFFAOYSA-N 2 1 334.552 2.010 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001208330820 1324429881 /nfs/dbraw/zinc/42/98/81/1324429881.db2.gz GLHIZSFDYXYZDN-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH+]ccc1N)[C@@H]2CC ZINC001209725809 1325021284 /nfs/dbraw/zinc/02/12/84/1325021284.db2.gz LUWKHJLPPGDDOA-MJGOQNOKSA-N 2 1 328.460 2.416 20 30 EEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1c[nH+]ccc1N)[C@@H]2CC ZINC001209725809 1325021288 /nfs/dbraw/zinc/02/12/88/1325021288.db2.gz LUWKHJLPPGDDOA-MJGOQNOKSA-N 2 1 328.460 2.416 20 30 EEEDMP C#CC[NH2+]CC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001341644577 1337295781 /nfs/dbraw/zinc/29/57/81/1337295781.db2.gz IJWMQZMPEOKXQW-CALCHBBNSA-N 2 1 327.472 2.004 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCCO1 ZINC001200704708 1338536092 /nfs/dbraw/zinc/53/60/92/1338536092.db2.gz PFNJBCYSPJNGGQ-AEFFLSMTSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200722545 1338550361 /nfs/dbraw/zinc/55/03/61/1338550361.db2.gz ZNJJNSZETYHQIK-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP COC(=O)c1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C#N ZINC001578875633 1344312315 /nfs/dbraw/zinc/31/23/15/1344312315.db2.gz SPWGCEPYZVJPJP-GJZGRUSLSA-N 2 1 327.428 2.166 20 30 EEEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200578305 1373055647 /nfs/dbraw/zinc/05/56/47/1373055647.db2.gz RLYWZIDRNSDZOD-QGZVFWFLSA-N 2 1 331.504 2.245 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001374503646 1376884369 /nfs/dbraw/zinc/88/43/69/1376884369.db2.gz RGCIHMQBEKXSQJ-INIZCTEOSA-N 2 1 336.505 2.096 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001374503646 1376884372 /nfs/dbraw/zinc/88/43/72/1376884372.db2.gz RGCIHMQBEKXSQJ-INIZCTEOSA-N 2 1 336.505 2.096 20 30 EEEDMP CC[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001376029001 1378243805 /nfs/dbraw/zinc/24/38/05/1378243805.db2.gz IAVQUUWEQWRDPN-LJQANCHMSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001380288994 1381153998 /nfs/dbraw/zinc/15/39/98/1381153998.db2.gz FWPXURZLELMSBD-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001392980153 1390271812 /nfs/dbraw/zinc/27/18/12/1390271812.db2.gz HXOXDIMWGATDAQ-UHFFFAOYSA-N 2 1 327.900 2.395 20 30 EEEDMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001752823628 1406446994 /nfs/dbraw/zinc/44/69/94/1406446994.db2.gz GJHFIFPTODRRCJ-QGZVFWFLSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC/C=C\c1ccccc1 ZINC001753052205 1406639475 /nfs/dbraw/zinc/63/94/75/1406639475.db2.gz WFRWUWOWCATAGY-HXKWKUIBSA-N 2 1 339.483 2.236 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC/C=C\c1ccccc1 ZINC001753052205 1406639482 /nfs/dbraw/zinc/63/94/82/1406639482.db2.gz WFRWUWOWCATAGY-HXKWKUIBSA-N 2 1 339.483 2.236 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC/C=C\c1ccccc1 ZINC001753052205 1406639491 /nfs/dbraw/zinc/63/94/91/1406639491.db2.gz WFRWUWOWCATAGY-HXKWKUIBSA-N 2 1 339.483 2.236 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC/C=C\c1ccccc1 ZINC001753052205 1406639509 /nfs/dbraw/zinc/63/95/09/1406639509.db2.gz WFRWUWOWCATAGY-HXKWKUIBSA-N 2 1 339.483 2.236 20 30 EEEDMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001399331786 1394978596 /nfs/dbraw/zinc/97/85/96/1394978596.db2.gz CTXLLJOCLHJHTP-OAHLLOKOSA-N 2 1 328.460 2.027 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CCCCC)C3)C2)CC1 ZINC001754568167 1406927559 /nfs/dbraw/zinc/92/75/59/1406927559.db2.gz AYUVLQOCRBQAEW-NRFANRHFSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001402680105 1398149315 /nfs/dbraw/zinc/14/93/15/1398149315.db2.gz JZPAFOVKYARNJW-INIZCTEOSA-N 2 1 327.900 2.443 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001402680105 1398149322 /nfs/dbraw/zinc/14/93/22/1398149322.db2.gz JZPAFOVKYARNJW-INIZCTEOSA-N 2 1 327.900 2.443 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC001755097260 1407110269 /nfs/dbraw/zinc/11/02/69/1407110269.db2.gz BWOKGQGIFCNMMN-IRXDYDNUSA-N 2 1 337.508 2.080 20 30 EEEDMP C[NH+](C)CC1(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001423573719 1400646802 /nfs/dbraw/zinc/64/68/02/1400646802.db2.gz MAOVFONRRPUJKZ-KRWDZBQOSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+](C)CC1(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001423573719 1400646809 /nfs/dbraw/zinc/64/68/09/1400646809.db2.gz MAOVFONRRPUJKZ-KRWDZBQOSA-N 2 1 346.500 2.042 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001424210878 1400971858 /nfs/dbraw/zinc/97/18/58/1400971858.db2.gz AQSOESUJOKDQGE-UHFFFAOYSA-N 2 1 328.460 2.029 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C/C=C\c1ccccc1 ZINC001755302924 1407303358 /nfs/dbraw/zinc/30/33/58/1407303358.db2.gz HZVSGGOSJZDEQH-KPHVFVAGSA-N 2 1 339.483 2.234 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C/C=C\c1ccccc1 ZINC001755302924 1407303364 /nfs/dbraw/zinc/30/33/64/1407303364.db2.gz HZVSGGOSJZDEQH-KPHVFVAGSA-N 2 1 339.483 2.234 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)C/C=C\c1ccccc1 ZINC001755302924 1407303371 /nfs/dbraw/zinc/30/33/71/1407303371.db2.gz HZVSGGOSJZDEQH-KPHVFVAGSA-N 2 1 339.483 2.234 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)C/C=C\c1ccccc1 ZINC001755302924 1407303375 /nfs/dbraw/zinc/30/33/75/1407303375.db2.gz HZVSGGOSJZDEQH-KPHVFVAGSA-N 2 1 339.483 2.234 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001731374641 1405851779 /nfs/dbraw/zinc/85/17/79/1405851779.db2.gz RNSXAHOYPIJMDX-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001731374641 1405851790 /nfs/dbraw/zinc/85/17/90/1405851790.db2.gz RNSXAHOYPIJMDX-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C[NH+](CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)s1 ZINC001751992181 1406169343 /nfs/dbraw/zinc/16/93/43/1406169343.db2.gz QRGBBJANOBNFDL-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP C[NH+](CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC001751992181 1406169349 /nfs/dbraw/zinc/16/93/49/1406169349.db2.gz QRGBBJANOBNFDL-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001755768664 1407828890 /nfs/dbraw/zinc/82/88/90/1407828890.db2.gz SRUAMHNRYWKYGN-HIFRSBDPSA-N 2 1 347.425 2.273 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)s1 ZINC001168030032 782398556 /nfs/dbraw/zinc/39/85/56/782398556.db2.gz LVGWMDZXBKGKMM-RHSMWYFYSA-N 2 1 346.500 2.233 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001167634502 760786159 /nfs/dbraw/zinc/78/61/59/760786159.db2.gz FOTSXJAUTJJRAE-UHFFFAOYSA-N 2 1 342.487 2.276 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087304133 761545601 /nfs/dbraw/zinc/54/56/01/761545601.db2.gz XUPLIKWEXFCZSN-NEWSRXKRSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087304133 761545611 /nfs/dbraw/zinc/54/56/11/761545611.db2.gz XUPLIKWEXFCZSN-NEWSRXKRSA-N 2 1 345.531 2.347 20 30 EEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104679964 764719738 /nfs/dbraw/zinc/71/97/38/764719738.db2.gz NHAAFDXNRQZMJT-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001104681705 764734615 /nfs/dbraw/zinc/73/46/15/764734615.db2.gz NJYZYBRZMUBFPZ-GPMSIDNRSA-N 2 1 339.499 2.459 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089408673 768844051 /nfs/dbraw/zinc/84/40/51/768844051.db2.gz DTUAAZWOAKOUCH-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089408673 768844062 /nfs/dbraw/zinc/84/40/62/768844062.db2.gz DTUAAZWOAKOUCH-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089408673 768844074 /nfs/dbraw/zinc/84/40/74/768844074.db2.gz DTUAAZWOAKOUCH-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089408673 768844086 /nfs/dbraw/zinc/84/40/86/768844086.db2.gz DTUAAZWOAKOUCH-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445042 769263031 /nfs/dbraw/zinc/26/30/31/769263031.db2.gz CRKMZUOQCWLTPA-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089564548 770408579 /nfs/dbraw/zinc/40/85/79/770408579.db2.gz BQPBBKNTETVETB-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564548 770408584 /nfs/dbraw/zinc/40/85/84/770408584.db2.gz BQPBBKNTETVETB-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564548 770408586 /nfs/dbraw/zinc/40/85/86/770408586.db2.gz BQPBBKNTETVETB-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C)CC(C)(C)C2)CC1 ZINC001089564849 770422140 /nfs/dbraw/zinc/42/21/40/770422140.db2.gz JXATYOHLDRHLNE-GOSISDBHSA-N 2 1 331.504 2.124 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212820 783065958 /nfs/dbraw/zinc/06/59/58/783065958.db2.gz SKESXMRZUGYHJD-AABGKKOBSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000980004967 773701322 /nfs/dbraw/zinc/70/13/22/773701322.db2.gz WQKKDGAQBLMQAG-BZSNNMDCSA-N 2 1 331.504 2.265 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980154202 773965762 /nfs/dbraw/zinc/96/57/62/773965762.db2.gz HBSAVCOABHIVGE-RYQLBKOJSA-N 2 1 343.471 2.195 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980182695 774019834 /nfs/dbraw/zinc/01/98/34/774019834.db2.gz DLZWUYMVTHIABG-OKZBNKHCSA-N 2 1 342.487 2.247 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980182695 774019839 /nfs/dbraw/zinc/01/98/39/774019839.db2.gz DLZWUYMVTHIABG-OKZBNKHCSA-N 2 1 342.487 2.247 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098528 783190983 /nfs/dbraw/zinc/19/09/83/783190983.db2.gz UWUXZSFLEJKCNL-QUCCMNQESA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC=C)CC1 ZINC001089736498 774821327 /nfs/dbraw/zinc/82/13/27/774821327.db2.gz XOUGXAALMMOKOK-GOSISDBHSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000981361343 777252377 /nfs/dbraw/zinc/25/23/77/777252377.db2.gz GUVMAGAIYBKGHT-FQEVSTJZSA-N 2 1 339.483 2.127 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279993 779518538 /nfs/dbraw/zinc/51/85/38/779518538.db2.gz PPKSAHBXDKNLKE-JYAXBFRTSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279993 779518544 /nfs/dbraw/zinc/51/85/44/779518544.db2.gz PPKSAHBXDKNLKE-JYAXBFRTSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@@]2(C)C1 ZINC000982305992 779657739 /nfs/dbraw/zinc/65/77/39/779657739.db2.gz CLUDEUJVPXXXLL-IZZBFERCSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C[C@@]2(C)C1 ZINC000982305992 779657745 /nfs/dbraw/zinc/65/77/45/779657745.db2.gz CLUDEUJVPXXXLL-IZZBFERCSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@@]2(C)C1 ZINC000982305992 779657750 /nfs/dbraw/zinc/65/77/50/779657750.db2.gz CLUDEUJVPXXXLL-IZZBFERCSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105395768 781889418 /nfs/dbraw/zinc/88/94/18/781889418.db2.gz FGSAHASAWUOCHB-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105395768 781889427 /nfs/dbraw/zinc/88/94/27/781889427.db2.gz FGSAHASAWUOCHB-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105395768 781889432 /nfs/dbraw/zinc/88/94/32/781889432.db2.gz FGSAHASAWUOCHB-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001088326766 783514925 /nfs/dbraw/zinc/51/49/25/783514925.db2.gz XNTKZOBFWAATJS-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481741 783837698 /nfs/dbraw/zinc/83/76/98/783837698.db2.gz WQTCQIFIJUNWJA-MSOLQXFVSA-N 2 1 329.488 2.057 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001035260529 784216609 /nfs/dbraw/zinc/21/66/09/784216609.db2.gz YMUPDXAYFIPXQZ-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035260529 784216612 /nfs/dbraw/zinc/21/66/12/784216612.db2.gz YMUPDXAYFIPXQZ-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035260529 784216617 /nfs/dbraw/zinc/21/66/17/784216617.db2.gz YMUPDXAYFIPXQZ-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135861961 784653089 /nfs/dbraw/zinc/65/30/89/784653089.db2.gz ZQGNBZRHQDPEAR-LSDHHAIUSA-N 2 1 348.466 2.412 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135979030 784903413 /nfs/dbraw/zinc/90/34/13/784903413.db2.gz AYMYYLWGHCWHPK-JKSUJKDBSA-N 2 1 330.476 2.273 20 30 EEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CC2 ZINC001035794214 785142990 /nfs/dbraw/zinc/14/29/90/785142990.db2.gz ANHJEYXDYBQAMS-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001105698212 785144751 /nfs/dbraw/zinc/14/47/51/785144751.db2.gz GPSJORWDTXJIRS-LPHOPBHVSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995914960 785837434 /nfs/dbraw/zinc/83/74/34/785837434.db2.gz NAVVQRPKODDGAF-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccncc3)c2)[C@H]1C ZINC001088945126 791687511 /nfs/dbraw/zinc/68/75/11/791687511.db2.gz RECKWJGYZROEEN-PBHICJAKSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001088945126 791687515 /nfs/dbraw/zinc/68/75/15/791687515.db2.gz RECKWJGYZROEEN-PBHICJAKSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001088945126 791687521 /nfs/dbraw/zinc/68/75/21/791687521.db2.gz RECKWJGYZROEEN-PBHICJAKSA-N 2 1 325.416 2.036 20 30 EEEDMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001147359117 791799359 /nfs/dbraw/zinc/79/93/59/791799359.db2.gz LLYVFTCHGMSIQV-IBGZPJMESA-N 2 1 342.487 2.419 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673564 792162991 /nfs/dbraw/zinc/16/29/91/792162991.db2.gz FRZAQXVGBXCBDD-UEXGIBASSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673564 792162998 /nfs/dbraw/zinc/16/29/98/792162998.db2.gz FRZAQXVGBXCBDD-UEXGIBASSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673564 792163007 /nfs/dbraw/zinc/16/30/07/792163007.db2.gz FRZAQXVGBXCBDD-UEXGIBASSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001086926660 793004440 /nfs/dbraw/zinc/00/44/40/793004440.db2.gz GLIVLPTULIQCCK-IRXDYDNUSA-N 2 1 340.471 2.097 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086927044 793005716 /nfs/dbraw/zinc/00/57/16/793005716.db2.gz QPYCHINFBPXELI-KRWDZBQOSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943879 793449358 /nfs/dbraw/zinc/44/93/58/793449358.db2.gz HXBSLUQAWOOGNK-NSHGMRRFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943879 793449365 /nfs/dbraw/zinc/44/93/65/793449365.db2.gz HXBSLUQAWOOGNK-NSHGMRRFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943879 793449369 /nfs/dbraw/zinc/44/93/69/793449369.db2.gz HXBSLUQAWOOGNK-NSHGMRRFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109978552 806313071 /nfs/dbraw/zinc/31/30/71/806313071.db2.gz CGSOHTCILVSVAF-SQNIBIBYSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000999399798 794385430 /nfs/dbraw/zinc/38/54/30/794385430.db2.gz HIQZGWVZRYBPCR-WLYUNCDWSA-N 2 1 336.867 2.085 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1ccccc1F ZINC001079298862 794568970 /nfs/dbraw/zinc/56/89/70/794568970.db2.gz KBOUWJCSZNKJJQ-PKOBYXMFSA-N 2 1 345.462 2.380 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999515868 794572676 /nfs/dbraw/zinc/57/26/76/794572676.db2.gz ZRBQVODTJROESL-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137358 794714546 /nfs/dbraw/zinc/71/45/46/794714546.db2.gz XLWYSFKHZVFIAY-HZPDHXFCSA-N 2 1 330.476 2.412 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137358 794714548 /nfs/dbraw/zinc/71/45/48/794714548.db2.gz XLWYSFKHZVFIAY-HZPDHXFCSA-N 2 1 330.476 2.412 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001093224583 794879369 /nfs/dbraw/zinc/87/93/69/794879369.db2.gz BTAPXUNZNSEDPQ-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093224583 794879373 /nfs/dbraw/zinc/87/93/73/794879373.db2.gz BTAPXUNZNSEDPQ-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093224583 794879377 /nfs/dbraw/zinc/87/93/77/794879377.db2.gz BTAPXUNZNSEDPQ-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001093371981 795103474 /nfs/dbraw/zinc/10/34/74/795103474.db2.gz XNEQPGIVYIRBJZ-SFHVURJKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093382651 795123957 /nfs/dbraw/zinc/12/39/57/795123957.db2.gz CMBULRBYJSRXAV-MOPGFXCFSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093382651 795123962 /nfs/dbraw/zinc/12/39/62/795123962.db2.gz CMBULRBYJSRXAV-MOPGFXCFSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093382651 795123964 /nfs/dbraw/zinc/12/39/64/795123964.db2.gz CMBULRBYJSRXAV-MOPGFXCFSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036864083 795563521 /nfs/dbraw/zinc/56/35/21/795563521.db2.gz RELCKVWEFYBIFV-MOPGFXCFSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106436002 795582589 /nfs/dbraw/zinc/58/25/89/795582589.db2.gz XGQXRQRGIGVXTL-HZPDHXFCSA-N 2 1 330.476 2.022 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC[C@@H]12 ZINC001094445079 796252206 /nfs/dbraw/zinc/25/22/06/796252206.db2.gz PVSCVJLKVUQQFL-IEBWSBKVSA-N 2 1 331.504 2.409 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001171725461 796705237 /nfs/dbraw/zinc/70/52/37/796705237.db2.gz LNECRDMADJNIRD-UHFFFAOYSA-N 2 1 334.439 2.025 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001402223 796825711 /nfs/dbraw/zinc/82/57/11/796825711.db2.gz LBQHMCDLXZFUAJ-MRXNPFEDSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001402223 796825717 /nfs/dbraw/zinc/82/57/17/796825717.db2.gz LBQHMCDLXZFUAJ-MRXNPFEDSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993622167 796847391 /nfs/dbraw/zinc/84/73/91/796847391.db2.gz NWQXUAWNSZGWCT-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993622167 796847399 /nfs/dbraw/zinc/84/73/99/796847399.db2.gz NWQXUAWNSZGWCT-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@@H]1C ZINC000993826446 797057428 /nfs/dbraw/zinc/05/74/28/797057428.db2.gz QCQAFYWIWKHAET-HOCLYGCPSA-N 2 1 332.448 2.039 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994211889 797392826 /nfs/dbraw/zinc/39/28/26/797392826.db2.gz ZPOYJZACOBBDNB-VQIMIIECSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994462180 798043778 /nfs/dbraw/zinc/04/37/78/798043778.db2.gz KNRQMJRUEARQOJ-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994497147 798098511 /nfs/dbraw/zinc/09/85/11/798098511.db2.gz JTNDFPHDBUEAFR-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP C[NH+](C)CCn1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cn1 ZINC001176443337 798451381 /nfs/dbraw/zinc/45/13/81/798451381.db2.gz LIVMZEUMIMDFBF-UHFFFAOYSA-N 2 1 330.461 2.109 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001084862932 798510912 /nfs/dbraw/zinc/51/09/12/798510912.db2.gz LGOCADFWLQRGBF-SJLPKXTDSA-N 2 1 343.471 2.291 20 30 EEEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001002823928 798665217 /nfs/dbraw/zinc/66/52/17/798665217.db2.gz OOQICPRKUDTTNY-QGZVFWFLSA-N 2 1 331.504 2.245 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001179730821 800074588 /nfs/dbraw/zinc/07/45/88/800074588.db2.gz FIIQRPANDUPSPM-ROUUACIJSA-N 2 1 339.524 2.258 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003776190 800142075 /nfs/dbraw/zinc/14/20/75/800142075.db2.gz JYXSXMBIMKDLFZ-CVEARBPZSA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003776190 800142079 /nfs/dbraw/zinc/14/20/79/800142079.db2.gz JYXSXMBIMKDLFZ-CVEARBPZSA-N 2 1 325.884 2.336 20 30 EEEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001181991787 800985259 /nfs/dbraw/zinc/98/52/59/800985259.db2.gz GCZKWULPWRZGEG-DNVCBOLYSA-N 2 1 348.491 2.390 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001182000580 800992395 /nfs/dbraw/zinc/99/23/95/800992395.db2.gz DUOVFNMASVZZTC-QWFCFKBJSA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004549154 802350861 /nfs/dbraw/zinc/35/08/61/802350861.db2.gz UVOQQEYRXKNFDG-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001004549154 802350866 /nfs/dbraw/zinc/35/08/66/802350866.db2.gz UVOQQEYRXKNFDG-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001004549154 802350875 /nfs/dbraw/zinc/35/08/75/802350875.db2.gz UVOQQEYRXKNFDG-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033199515 803069047 /nfs/dbraw/zinc/06/90/47/803069047.db2.gz ULQFWTIGEHTZBQ-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033199515 803069055 /nfs/dbraw/zinc/06/90/55/803069055.db2.gz ULQFWTIGEHTZBQ-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033199515 803069063 /nfs/dbraw/zinc/06/90/63/803069063.db2.gz ULQFWTIGEHTZBQ-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033199515 803069067 /nfs/dbraw/zinc/06/90/67/803069067.db2.gz ULQFWTIGEHTZBQ-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001086609769 810046308 /nfs/dbraw/zinc/04/63/08/810046308.db2.gz WXRIBIIJNGQOOY-YSIASYRMSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609769 810046310 /nfs/dbraw/zinc/04/63/10/810046310.db2.gz WXRIBIIJNGQOOY-YSIASYRMSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609769 810046313 /nfs/dbraw/zinc/04/63/13/810046313.db2.gz WXRIBIIJNGQOOY-YSIASYRMSA-N 2 1 339.483 2.078 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001086620110 810657630 /nfs/dbraw/zinc/65/76/30/810657630.db2.gz YRPCADLKBVLOEA-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)C[NH+](C)C1CCC1 ZINC001445751196 1091585619 /nfs/dbraw/zinc/58/56/19/1091585619.db2.gz QOZWZNUAKXOWCS-ZDUSSCGKSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)C[NH+](C)C1CCC1 ZINC001445751196 1091585622 /nfs/dbraw/zinc/58/56/22/1091585622.db2.gz QOZWZNUAKXOWCS-ZDUSSCGKSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)C[N@H+](C)C1CCC1 ZINC001445751196 1091585629 /nfs/dbraw/zinc/58/56/29/1091585629.db2.gz QOZWZNUAKXOWCS-ZDUSSCGKSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001445751196 1091585634 /nfs/dbraw/zinc/58/56/34/1091585634.db2.gz QOZWZNUAKXOWCS-ZDUSSCGKSA-N 2 1 334.489 2.041 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001442157370 1096413494 /nfs/dbraw/zinc/41/34/94/1096413494.db2.gz NJNFIPJLRAZCPR-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001443891549 1098419990 /nfs/dbraw/zinc/41/99/90/1098419990.db2.gz ZOPFWZACQJQGSB-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001443891549 1098419992 /nfs/dbraw/zinc/41/99/92/1098419992.db2.gz ZOPFWZACQJQGSB-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001443891549 1098419994 /nfs/dbraw/zinc/41/99/94/1098419994.db2.gz ZOPFWZACQJQGSB-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CN(CCC[NH+](C)Cc1ccc(C#N)cc1)C(=O)C[N@H+](C)C1CCC1 ZINC001502342571 1113636406 /nfs/dbraw/zinc/63/64/06/1113636406.db2.gz ZUWXWPUGIIBTRQ-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CN(CCC[NH+](C)Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001502342571 1113636409 /nfs/dbraw/zinc/63/64/09/1113636409.db2.gz ZUWXWPUGIIBTRQ-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104152638 237084396 /nfs/dbraw/zinc/08/43/96/237084396.db2.gz DKLJYJKOIXRXMG-UHFFFAOYSA-N 2 1 346.353 2.034 20 30 EEEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)N(C)CCC#N)C1 ZINC000131604023 237206632 /nfs/dbraw/zinc/20/66/32/237206632.db2.gz KUDDMUGAHDFRGJ-ZWKOTPCHSA-N 2 1 334.508 2.335 20 30 EEEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000131604023 237206638 /nfs/dbraw/zinc/20/66/38/237206638.db2.gz KUDDMUGAHDFRGJ-ZWKOTPCHSA-N 2 1 334.508 2.335 20 30 EEEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000131604023 237206652 /nfs/dbraw/zinc/20/66/52/237206652.db2.gz KUDDMUGAHDFRGJ-ZWKOTPCHSA-N 2 1 334.508 2.335 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000268621294 252075885 /nfs/dbraw/zinc/07/58/85/252075885.db2.gz YIXDXPJGSONTRL-HXUWFJFHSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000491623604 533099075 /nfs/dbraw/zinc/09/90/75/533099075.db2.gz FZAMARPYXHGOJF-UHFFFAOYSA-N 2 1 326.366 2.274 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528385628 268300621 /nfs/dbraw/zinc/30/06/21/268300621.db2.gz CAKAJPIVAMZZJM-RBUKOAKNSA-N 2 1 343.471 2.248 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528385628 268300622 /nfs/dbraw/zinc/30/06/22/268300622.db2.gz CAKAJPIVAMZZJM-RBUKOAKNSA-N 2 1 343.471 2.248 20 30 EEEDMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000064613969 462712382 /nfs/dbraw/zinc/71/23/82/462712382.db2.gz NINRRTFVJIVHCB-UHFFFAOYSA-N 2 1 349.475 2.436 20 30 EEEDMP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261937454 463906196 /nfs/dbraw/zinc/90/61/96/463906196.db2.gz CSXZXGBFPUVKBN-DOTOQJQBSA-N 2 1 342.491 2.036 20 30 EEEDMP C#CCNC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292887011 464376327 /nfs/dbraw/zinc/37/63/27/464376327.db2.gz URUNRYFOBWXBEL-IEBWSBKVSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCNC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292887011 464376330 /nfs/dbraw/zinc/37/63/30/464376330.db2.gz URUNRYFOBWXBEL-IEBWSBKVSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCNC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000292887011 464376335 /nfs/dbraw/zinc/37/63/35/464376335.db2.gz URUNRYFOBWXBEL-IEBWSBKVSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCNC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000292887011 464376340 /nfs/dbraw/zinc/37/63/40/464376340.db2.gz URUNRYFOBWXBEL-IEBWSBKVSA-N 2 1 327.472 2.111 20 30 EEEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc(-n4ccnc4)c3)[C@H]2C1 ZINC000329580203 465377811 /nfs/dbraw/zinc/37/78/11/465377811.db2.gz WUIXIZHMSXMHFW-AEFFLSMTSA-N 2 1 339.443 2.312 20 30 EEEDMP C=CCC[C@@H](O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352715917 465550138 /nfs/dbraw/zinc/55/01/38/465550138.db2.gz QGSVFBVTZNLEAA-HXUWFJFHSA-N 2 1 331.504 2.063 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000330308424 465606617 /nfs/dbraw/zinc/60/66/17/465606617.db2.gz SSZUQRMKONGYII-ZDUSSCGKSA-N 2 1 344.463 2.259 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000330308424 465606624 /nfs/dbraw/zinc/60/66/24/465606624.db2.gz SSZUQRMKONGYII-ZDUSSCGKSA-N 2 1 344.463 2.259 20 30 EEEDMP COc1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000377620510 467098470 /nfs/dbraw/zinc/09/84/70/467098470.db2.gz DWCTWNVGBBMHQE-LJQANCHMSA-N 2 1 342.487 2.167 20 30 EEEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000598721118 468973924 /nfs/dbraw/zinc/97/39/24/468973924.db2.gz SLHPQFCULYMEST-MOPGFXCFSA-N 2 1 329.488 2.441 20 30 EEEDMP CN(c1nc(C#N)c(Cl)s1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000596126454 469168264 /nfs/dbraw/zinc/16/82/64/469168264.db2.gz STHYLNJHPGVOJM-LBPRGKRZSA-N 2 1 339.896 2.273 20 30 EEEDMP CN(c1nc(C#N)c(Cl)s1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000596126454 469168267 /nfs/dbraw/zinc/16/82/67/469168267.db2.gz STHYLNJHPGVOJM-LBPRGKRZSA-N 2 1 339.896 2.273 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000609133482 469894118 /nfs/dbraw/zinc/89/41/18/469894118.db2.gz MYEQHIZXLORUEI-APWZRJJASA-N 2 1 336.524 2.482 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNCC[NH+]1CCCCC1 ZINC000734365818 577291735 /nfs/dbraw/zinc/29/17/35/577291735.db2.gz UIZNYZKOOOCVLW-QGZVFWFLSA-N 2 1 329.492 2.355 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000764084456 577730853 /nfs/dbraw/zinc/73/08/53/577730853.db2.gz HUVDZTUWMHTTFU-UHFFFAOYSA-N 2 1 335.879 2.492 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000764084456 577730854 /nfs/dbraw/zinc/73/08/54/577730854.db2.gz HUVDZTUWMHTTFU-UHFFFAOYSA-N 2 1 335.879 2.492 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021692304 676350442 /nfs/dbraw/zinc/35/04/42/676350442.db2.gz SZXYXRJKTAASGF-UXHICEINSA-N 2 1 339.483 2.308 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021716990 676376021 /nfs/dbraw/zinc/37/60/21/676376021.db2.gz NCQMVYPOXNRJQM-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCC)CC[C@@H]32)CC1 ZINC001021740221 676399078 /nfs/dbraw/zinc/39/90/78/676399078.db2.gz RSPFTZCZPCSTRP-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C)C1 ZINC000971704007 676748108 /nfs/dbraw/zinc/74/81/08/676748108.db2.gz PBSIQYBYDHGKPM-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC000971704007 676748111 /nfs/dbraw/zinc/74/81/11/676748111.db2.gz PBSIQYBYDHGKPM-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C)C1 ZINC000971704007 676748112 /nfs/dbraw/zinc/74/81/12/676748112.db2.gz PBSIQYBYDHGKPM-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C)C1 ZINC000971704007 676748114 /nfs/dbraw/zinc/74/81/14/676748114.db2.gz PBSIQYBYDHGKPM-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971801617 676814354 /nfs/dbraw/zinc/81/43/54/676814354.db2.gz SPTWNZBJGUUYND-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971801617 676814357 /nfs/dbraw/zinc/81/43/57/676814357.db2.gz SPTWNZBJGUUYND-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971801617 676814360 /nfs/dbraw/zinc/81/43/60/676814360.db2.gz SPTWNZBJGUUYND-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971801617 676814361 /nfs/dbraw/zinc/81/43/61/676814361.db2.gz SPTWNZBJGUUYND-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371315 679277725 /nfs/dbraw/zinc/27/77/25/679277725.db2.gz XMNUFZLYKJCJFZ-OALUTQOASA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023371315 679277727 /nfs/dbraw/zinc/27/77/27/679277727.db2.gz XMNUFZLYKJCJFZ-OALUTQOASA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023371315 679277729 /nfs/dbraw/zinc/27/77/29/679277729.db2.gz XMNUFZLYKJCJFZ-OALUTQOASA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414698 679298240 /nfs/dbraw/zinc/29/82/40/679298240.db2.gz YSBBDHVRRJGLAP-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414698 679298241 /nfs/dbraw/zinc/29/82/41/679298241.db2.gz YSBBDHVRRJGLAP-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414698 679298242 /nfs/dbraw/zinc/29/82/42/679298242.db2.gz YSBBDHVRRJGLAP-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001023761519 679567003 /nfs/dbraw/zinc/56/70/03/679567003.db2.gz BQWVJHGJLYHHRJ-GOSISDBHSA-N 2 1 331.504 2.126 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001028600684 681346068 /nfs/dbraw/zinc/34/60/68/681346068.db2.gz BVSRDJMTVJSCPH-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001028600684 681346072 /nfs/dbraw/zinc/34/60/72/681346072.db2.gz BVSRDJMTVJSCPH-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028600684 681346076 /nfs/dbraw/zinc/34/60/76/681346076.db2.gz BVSRDJMTVJSCPH-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028600684 681346080 /nfs/dbraw/zinc/34/60/80/681346080.db2.gz BVSRDJMTVJSCPH-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001024987009 681673235 /nfs/dbraw/zinc/67/32/35/681673235.db2.gz AHLAXJCIKORJSZ-PMACEKPBSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001024987009 681673236 /nfs/dbraw/zinc/67/32/36/681673236.db2.gz AHLAXJCIKORJSZ-PMACEKPBSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557144 682995115 /nfs/dbraw/zinc/99/51/15/682995115.db2.gz FCLYREGYCCKEPT-APWZRJJASA-N 2 1 327.472 2.212 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC000992820190 683533725 /nfs/dbraw/zinc/53/37/25/683533725.db2.gz HQHIGEUOPSRRJE-OKZBNKHCSA-N 2 1 342.487 2.247 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC001026605185 684782119 /nfs/dbraw/zinc/78/21/19/684782119.db2.gz GKZJMTQWZMBSRX-LMDPOFIKSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C(C)(C)C1 ZINC000974598901 685114195 /nfs/dbraw/zinc/11/41/95/685114195.db2.gz KRIRMIGYLIMWJJ-SJORKVTESA-N 2 1 345.491 2.193 20 30 EEEDMP CC[C@@H]1CCCC[N@H+]1CCNC(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)=[NH+]C ZINC000262360191 685653220 /nfs/dbraw/zinc/65/32/20/685653220.db2.gz GPWPMCVLPVXLLE-TWMKSMIVSA-N 2 1 336.524 2.229 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC(C)C2)CC1 ZINC001029596988 686467884 /nfs/dbraw/zinc/46/78/84/686467884.db2.gz FUOBIJLNIKZXOF-HCABLIJQSA-N 2 1 343.515 2.053 20 30 EEEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000985747052 687609242 /nfs/dbraw/zinc/60/92/42/687609242.db2.gz OQNBNBYUNIARBY-HXUWFJFHSA-N 2 1 327.472 2.019 20 30 EEEDMP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986354630 688504756 /nfs/dbraw/zinc/50/47/56/688504756.db2.gz KRNINLCMHCCXNG-KXBFYZLASA-N 2 1 340.471 2.122 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C(C)(C)C1 ZINC000977449410 692634415 /nfs/dbraw/zinc/63/44/15/692634415.db2.gz JPRLCRZLIWJEMI-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977449410 692634419 /nfs/dbraw/zinc/63/44/19/692634419.db2.gz JPRLCRZLIWJEMI-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577098 693177187 /nfs/dbraw/zinc/17/71/87/693177187.db2.gz DNKIQZODPWNYST-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577098 693177190 /nfs/dbraw/zinc/17/71/90/693177190.db2.gz DNKIQZODPWNYST-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001027589528 693326805 /nfs/dbraw/zinc/32/68/05/693326805.db2.gz UVFZBSYAVPCDHJ-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001027589528 693326810 /nfs/dbraw/zinc/32/68/10/693326810.db2.gz UVFZBSYAVPCDHJ-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001027589528 693326815 /nfs/dbraw/zinc/32/68/15/693326815.db2.gz UVFZBSYAVPCDHJ-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001089889043 1192844677 /nfs/dbraw/zinc/84/46/77/1192844677.db2.gz KAKGCSYHWOFDKT-YVSFHVDLSA-N 2 1 342.487 2.432 20 30 EEEDMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001481139907 1179901148 /nfs/dbraw/zinc/90/11/48/1179901148.db2.gz FXTGWCLVGHGCRE-FQEVSTJZSA-N 2 1 341.499 2.351 20 30 EEEDMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481139907 1179901151 /nfs/dbraw/zinc/90/11/51/1179901151.db2.gz FXTGWCLVGHGCRE-FQEVSTJZSA-N 2 1 341.499 2.351 20 30 EEEDMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001481139907 1179901155 /nfs/dbraw/zinc/90/11/55/1179901155.db2.gz FXTGWCLVGHGCRE-FQEVSTJZSA-N 2 1 341.499 2.351 20 30 EEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001482468261 1185970853 /nfs/dbraw/zinc/97/08/53/1185970853.db2.gz ABVJDLNZFCTRRA-CABCVRRESA-N 2 1 327.900 2.440 20 30 EEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001088370030 1186687085 /nfs/dbraw/zinc/68/70/85/1186687085.db2.gz YLGBHKWFQPWPKL-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001105485732 1188102378 /nfs/dbraw/zinc/10/23/78/1188102378.db2.gz XBDRDQCASBETMM-UHFFFAOYSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168346443 1188313861 /nfs/dbraw/zinc/31/38/61/1188313861.db2.gz ZJEDBTAOQLRIIA-GOSISDBHSA-N 2 1 327.472 2.189 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076086068 1188703218 /nfs/dbraw/zinc/70/32/18/1188703218.db2.gz NKOVOZQXUCYHIR-OTWHNJEPSA-N 2 1 331.504 2.360 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001486129143 1193689618 /nfs/dbraw/zinc/68/96/18/1193689618.db2.gz MMYRLVKGXGQIAK-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001486183354 1193723465 /nfs/dbraw/zinc/72/34/65/1193723465.db2.gz GSKMPHNDTQEVAV-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001486183354 1193723471 /nfs/dbraw/zinc/72/34/71/1193723471.db2.gz GSKMPHNDTQEVAV-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001486183354 1193723476 /nfs/dbraw/zinc/72/34/76/1193723476.db2.gz GSKMPHNDTQEVAV-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418097 1194541199 /nfs/dbraw/zinc/54/11/99/1194541199.db2.gz ZRMPILLEUAXXRF-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418097 1194541202 /nfs/dbraw/zinc/54/12/02/1194541202.db2.gz ZRMPILLEUAXXRF-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001034045763 1195696974 /nfs/dbraw/zinc/69/69/74/1195696974.db2.gz MSVZGBOTQUFRMG-AFMYVXGZSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229654 1195966833 /nfs/dbraw/zinc/96/68/33/1195966833.db2.gz UEGVBHNVSVIHHZ-MRXNPFEDSA-N 2 1 333.501 2.417 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229654 1195966835 /nfs/dbraw/zinc/96/68/35/1195966835.db2.gz UEGVBHNVSVIHHZ-MRXNPFEDSA-N 2 1 333.501 2.417 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034429715 1196212850 /nfs/dbraw/zinc/21/28/50/1196212850.db2.gz AGUYJKDHXZPQGS-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034429715 1196212854 /nfs/dbraw/zinc/21/28/54/1196212854.db2.gz AGUYJKDHXZPQGS-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001034539092 1196362210 /nfs/dbraw/zinc/36/22/10/1196362210.db2.gz VHERZINLVLJGGJ-PKOBYXMFSA-N 2 1 333.520 2.348 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C#N)CC1 ZINC001034611225 1196433947 /nfs/dbraw/zinc/43/39/47/1196433947.db2.gz JCWJHRXCNWXKKE-GUDVDZBRSA-N 2 1 340.471 2.169 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309968 1199559862 /nfs/dbraw/zinc/55/98/62/1199559862.db2.gz HIWHEVGOIWDEPE-DLBZAZTESA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309968 1199559865 /nfs/dbraw/zinc/55/98/65/1199559865.db2.gz HIWHEVGOIWDEPE-DLBZAZTESA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309968 1199559868 /nfs/dbraw/zinc/55/98/68/1199559868.db2.gz HIWHEVGOIWDEPE-DLBZAZTESA-N 2 1 339.524 2.136 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001132986871 1200278742 /nfs/dbraw/zinc/27/87/42/1200278742.db2.gz ORDIUGFIWJNWEM-JKSUJKDBSA-N 2 1 330.476 2.022 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001132986869 1200278767 /nfs/dbraw/zinc/27/87/67/1200278767.db2.gz ORDIUGFIWJNWEM-HOTGVXAUSA-N 2 1 330.476 2.022 20 30 EEEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(C#N)nc3)C2)C1 ZINC001275295310 1205301113 /nfs/dbraw/zinc/30/11/13/1205301113.db2.gz GENQDHUMECAEIX-HXUWFJFHSA-N 2 1 341.503 2.193 20 30 EEEDMP C#CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000932391638 1207595903 /nfs/dbraw/zinc/59/59/03/1207595903.db2.gz ZWNNQTQGJUZGEB-UHFFFAOYSA-N 2 1 327.472 2.242 20 30 EEEDMP C#CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000932391638 1207595904 /nfs/dbraw/zinc/59/59/04/1207595904.db2.gz ZWNNQTQGJUZGEB-UHFFFAOYSA-N 2 1 327.472 2.242 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001111169204 1208311977 /nfs/dbraw/zinc/31/19/77/1208311977.db2.gz GWHQNLBLPGRTNQ-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001111169204 1208311979 /nfs/dbraw/zinc/31/19/79/1208311979.db2.gz GWHQNLBLPGRTNQ-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000778962920 1208422016 /nfs/dbraw/zinc/42/20/16/1208422016.db2.gz GDOSNAYDXCPCQB-IHPCNDPISA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000778962920 1208422018 /nfs/dbraw/zinc/42/20/18/1208422018.db2.gz GDOSNAYDXCPCQB-IHPCNDPISA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778962920 1208422020 /nfs/dbraw/zinc/42/20/20/1208422020.db2.gz GDOSNAYDXCPCQB-IHPCNDPISA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778962920 1208422022 /nfs/dbraw/zinc/42/20/22/1208422022.db2.gz GDOSNAYDXCPCQB-IHPCNDPISA-N 2 1 339.483 2.111 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435457 1209136897 /nfs/dbraw/zinc/13/68/97/1209136897.db2.gz LTMQFSYCBWGKNI-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435457 1209136900 /nfs/dbraw/zinc/13/69/00/1209136900.db2.gz LTMQFSYCBWGKNI-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435457 1209136902 /nfs/dbraw/zinc/13/69/02/1209136902.db2.gz LTMQFSYCBWGKNI-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948985471 1209489713 /nfs/dbraw/zinc/48/97/13/1209489713.db2.gz DZOJSGMJQDKHMQ-IEBWSBKVSA-N 2 1 327.472 2.230 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948985471 1209489716 /nfs/dbraw/zinc/48/97/16/1209489716.db2.gz DZOJSGMJQDKHMQ-IEBWSBKVSA-N 2 1 327.472 2.230 20 30 EEEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948985471 1209489719 /nfs/dbraw/zinc/48/97/19/1209489719.db2.gz DZOJSGMJQDKHMQ-IEBWSBKVSA-N 2 1 327.472 2.230 20 30 EEEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000949486722 1209710158 /nfs/dbraw/zinc/71/01/58/1209710158.db2.gz GOGIKOGFAYYYEL-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000949486722 1209710161 /nfs/dbraw/zinc/71/01/61/1209710161.db2.gz GOGIKOGFAYYYEL-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCC2)CC1 ZINC000961027057 1217013052 /nfs/dbraw/zinc/01/30/52/1217013052.db2.gz LKJDVVLFTICPEJ-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961342221 1217150241 /nfs/dbraw/zinc/15/02/41/1217150241.db2.gz QHFFZURGNMHURB-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961342221 1217150242 /nfs/dbraw/zinc/15/02/42/1217150242.db2.gz QHFFZURGNMHURB-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961342221 1217150243 /nfs/dbraw/zinc/15/02/43/1217150243.db2.gz QHFFZURGNMHURB-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376786 1217164653 /nfs/dbraw/zinc/16/46/53/1217164653.db2.gz CYWFIMXYUIOQNH-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376786 1217164655 /nfs/dbraw/zinc/16/46/55/1217164655.db2.gz CYWFIMXYUIOQNH-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376786 1217164657 /nfs/dbraw/zinc/16/46/57/1217164657.db2.gz CYWFIMXYUIOQNH-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961401677 1217175889 /nfs/dbraw/zinc/17/58/89/1217175889.db2.gz NHQMCLMXTAFUBE-LJQANCHMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000961570413 1217226675 /nfs/dbraw/zinc/22/66/75/1217226675.db2.gz XAECJMFKRBMEIH-ZSYWTGECSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000961570413 1217226678 /nfs/dbraw/zinc/22/66/78/1217226678.db2.gz XAECJMFKRBMEIH-ZSYWTGECSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000961570413 1217226682 /nfs/dbraw/zinc/22/66/82/1217226682.db2.gz XAECJMFKRBMEIH-ZSYWTGECSA-N 2 1 331.504 2.406 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314934 1217506712 /nfs/dbraw/zinc/50/67/12/1217506712.db2.gz QIFHEYDBBVDMOU-ZWKOTPCHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109082 1221816587 /nfs/dbraw/zinc/81/65/87/1221816587.db2.gz UKDHRLHMOBDBGD-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001016655773 1226737327 /nfs/dbraw/zinc/73/73/27/1226737327.db2.gz SVBSZJKQTRITET-CVEARBPZSA-N 2 1 328.460 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230371 1230463211 /nfs/dbraw/zinc/46/32/11/1230463211.db2.gz QJPNECLMOIEGCA-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230371 1230463213 /nfs/dbraw/zinc/46/32/13/1230463213.db2.gz QJPNECLMOIEGCA-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039235621 1230468858 /nfs/dbraw/zinc/46/88/58/1230468858.db2.gz QQYXWKRDFBJPRE-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039235621 1230468861 /nfs/dbraw/zinc/46/88/61/1230468861.db2.gz QQYXWKRDFBJPRE-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC(=C)C)CC1 ZINC001040013982 1230964134 /nfs/dbraw/zinc/96/41/34/1230964134.db2.gz BHGOGBKWONKOLF-BGYRXZFFSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040229065 1231116924 /nfs/dbraw/zinc/11/69/24/1231116924.db2.gz PEQPEWCOYGQXDU-LJQANCHMSA-N 2 1 345.512 2.371 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464008 1231247346 /nfs/dbraw/zinc/24/73/46/1231247346.db2.gz KBQBHQLCVIFVFZ-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040530487 1231278190 /nfs/dbraw/zinc/27/81/90/1231278190.db2.gz AKJUNRHGORSYRT-KRWDZBQOSA-N 2 1 325.884 2.149 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040530487 1231278192 /nfs/dbraw/zinc/27/81/92/1231278192.db2.gz AKJUNRHGORSYRT-KRWDZBQOSA-N 2 1 325.884 2.149 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041335999 1231511231 /nfs/dbraw/zinc/51/12/31/1231511231.db2.gz GKTFFLQWSUUXRY-IBGZPJMESA-N 2 1 345.512 2.371 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4nccn43)C2)C1 ZINC001041356629 1231517817 /nfs/dbraw/zinc/51/78/17/1231517817.db2.gz AEGRTLYGWWOWBG-APWZRJJASA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041356629 1231517818 /nfs/dbraw/zinc/51/78/18/1231517818.db2.gz AEGRTLYGWWOWBG-APWZRJJASA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041356629 1231517821 /nfs/dbraw/zinc/51/78/21/1231517821.db2.gz AEGRTLYGWWOWBG-APWZRJJASA-N 2 1 328.460 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980177 1234270202 /nfs/dbraw/zinc/27/02/02/1234270202.db2.gz SHFXRBZUCBISAI-LJQANCHMSA-N 2 1 331.504 2.363 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001046330338 1234671882 /nfs/dbraw/zinc/67/18/82/1234671882.db2.gz ABTDTIGVOOAALP-QBIMZIAESA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001046330338 1234671883 /nfs/dbraw/zinc/67/18/83/1234671883.db2.gz ABTDTIGVOOAALP-QBIMZIAESA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001046330338 1234671885 /nfs/dbraw/zinc/67/18/85/1234671885.db2.gz ABTDTIGVOOAALP-QBIMZIAESA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001046330338 1234671886 /nfs/dbraw/zinc/67/18/86/1234671886.db2.gz ABTDTIGVOOAALP-QBIMZIAESA-N 2 1 346.500 2.041 20 30 EEEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047240322 1235725550 /nfs/dbraw/zinc/72/55/50/1235725550.db2.gz ATWBUDRWZPOSDR-NZSAHSFTSA-N 2 1 333.520 2.463 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047255814 1235758630 /nfs/dbraw/zinc/75/86/30/1235758630.db2.gz DONYQDCQAQYGOM-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001047263568 1235774115 /nfs/dbraw/zinc/77/41/15/1235774115.db2.gz BUSSUSLURLDIGR-IBGZPJMESA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001048536901 1237905975 /nfs/dbraw/zinc/90/59/75/1237905975.db2.gz FIPSGRUZAUMKSW-REPLKXPHSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001048545604 1237930307 /nfs/dbraw/zinc/93/03/07/1237930307.db2.gz FBEHAXWHRKGSAU-VBUUOAMHSA-N 2 1 336.439 2.330 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583660 1238023905 /nfs/dbraw/zinc/02/39/05/1238023905.db2.gz QDLWFSPQBPASBJ-QTMHVTGLSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048610457 1238093964 /nfs/dbraw/zinc/09/39/64/1238093964.db2.gz QIFHPPWBWMKUNR-FHWLQOOXSA-N 2 1 331.504 2.006 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048610457 1238093971 /nfs/dbraw/zinc/09/39/71/1238093971.db2.gz QIFHPPWBWMKUNR-FHWLQOOXSA-N 2 1 331.504 2.006 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818802 1238732532 /nfs/dbraw/zinc/73/25/32/1238732532.db2.gz NZNVPSMJFWFXBS-YRXWBPOGSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818802 1238732540 /nfs/dbraw/zinc/73/25/40/1238732540.db2.gz NZNVPSMJFWFXBS-YRXWBPOGSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818802 1238732554 /nfs/dbraw/zinc/73/25/54/1238732554.db2.gz NZNVPSMJFWFXBS-YRXWBPOGSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048819528 1238735708 /nfs/dbraw/zinc/73/57/08/1238735708.db2.gz UUKIFVOXUUOMFI-MWDXBVQZSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048819528 1238735722 /nfs/dbraw/zinc/73/57/22/1238735722.db2.gz UUKIFVOXUUOMFI-MWDXBVQZSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048819528 1238735731 /nfs/dbraw/zinc/73/57/31/1238735731.db2.gz UUKIFVOXUUOMFI-MWDXBVQZSA-N 2 1 337.895 2.004 20 30 EEEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)CC1 ZINC001000323806 1240171322 /nfs/dbraw/zinc/17/13/22/1240171322.db2.gz NLEFLVYQTWAOLV-IBGZPJMESA-N 2 1 331.504 2.409 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001000790974 1240944372 /nfs/dbraw/zinc/94/43/72/1240944372.db2.gz LGUURGHULHCLLR-FQEVSTJZSA-N 2 1 341.499 2.333 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001000790974 1240944380 /nfs/dbraw/zinc/94/43/80/1240944380.db2.gz LGUURGHULHCLLR-FQEVSTJZSA-N 2 1 341.499 2.333 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001000790974 1240944386 /nfs/dbraw/zinc/94/43/86/1240944386.db2.gz LGUURGHULHCLLR-FQEVSTJZSA-N 2 1 341.499 2.333 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001000790974 1240944393 /nfs/dbraw/zinc/94/43/93/1240944393.db2.gz LGUURGHULHCLLR-FQEVSTJZSA-N 2 1 341.499 2.333 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049524078 1241241200 /nfs/dbraw/zinc/24/12/00/1241241200.db2.gz JAFBCWVPVJUNKH-ZACQAIPSSA-N 2 1 328.460 2.402 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049524078 1241241211 /nfs/dbraw/zinc/24/12/11/1241241211.db2.gz JAFBCWVPVJUNKH-ZACQAIPSSA-N 2 1 328.460 2.402 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001049719914 1241986669 /nfs/dbraw/zinc/98/66/69/1241986669.db2.gz PINVTAFRDWZQJO-MDZRGWNJSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049719914 1241986679 /nfs/dbraw/zinc/98/66/79/1241986679.db2.gz PINVTAFRDWZQJO-MDZRGWNJSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049719914 1241986690 /nfs/dbraw/zinc/98/66/90/1241986690.db2.gz PINVTAFRDWZQJO-MDZRGWNJSA-N 2 1 337.483 2.450 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050048285 1242721322 /nfs/dbraw/zinc/72/13/22/1242721322.db2.gz ONRLYXMOOJIGKH-GVDBMIGSSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050048285 1242721329 /nfs/dbraw/zinc/72/13/29/1242721329.db2.gz ONRLYXMOOJIGKH-GVDBMIGSSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050065673 1242763417 /nfs/dbraw/zinc/76/34/17/1242763417.db2.gz FXJZOXWJOPROKM-GVDBMIGSSA-N 2 1 328.460 2.259 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050065673 1242763424 /nfs/dbraw/zinc/76/34/24/1242763424.db2.gz FXJZOXWJOPROKM-GVDBMIGSSA-N 2 1 328.460 2.259 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050158220 1243005095 /nfs/dbraw/zinc/00/50/95/1243005095.db2.gz QGZIZEBAHYIGTG-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)C3)cccc2C1 ZINC001051307166 1245513415 /nfs/dbraw/zinc/51/34/15/1245513415.db2.gz PSYCSBIALZUHEF-GOSISDBHSA-N 2 1 327.472 2.189 20 30 EEEDMP C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307166 1245513421 /nfs/dbraw/zinc/51/34/21/1245513421.db2.gz PSYCSBIALZUHEF-GOSISDBHSA-N 2 1 327.472 2.189 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307166 1245513425 /nfs/dbraw/zinc/51/34/25/1245513425.db2.gz PSYCSBIALZUHEF-GOSISDBHSA-N 2 1 327.472 2.189 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@H](F)CC)CC2)CC1 ZINC001052957635 1245555176 /nfs/dbraw/zinc/55/51/76/1245555176.db2.gz IGGBCRLHWNYBFB-MSOLQXFVSA-N 2 1 337.483 2.050 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC/C=C/CC)C[C@@]2(C)C1 ZINC001101270323 1245597511 /nfs/dbraw/zinc/59/75/11/1245597511.db2.gz KQBXUFVEIXBLOX-JDDAYWQZSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC/C=C/CC)C[C@@]2(C)C1 ZINC001101270323 1245597516 /nfs/dbraw/zinc/59/75/16/1245597516.db2.gz KQBXUFVEIXBLOX-JDDAYWQZSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC/C=C/CC)C[C@@]2(C)C1 ZINC001101270323 1245597522 /nfs/dbraw/zinc/59/75/22/1245597522.db2.gz KQBXUFVEIXBLOX-JDDAYWQZSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC/C=C/CC)C[C@@]2(C)C1 ZINC001101270323 1245597525 /nfs/dbraw/zinc/59/75/25/1245597525.db2.gz KQBXUFVEIXBLOX-JDDAYWQZSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036615 1245735995 /nfs/dbraw/zinc/73/59/95/1245735995.db2.gz NRLJOUWDRKWQAN-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053830029 1246861732 /nfs/dbraw/zinc/86/17/32/1246861732.db2.gz PFIYGYQAGAHMOI-ZWKOTPCHSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053830029 1246861748 /nfs/dbraw/zinc/86/17/48/1246861748.db2.gz PFIYGYQAGAHMOI-ZWKOTPCHSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054228741 1247785051 /nfs/dbraw/zinc/78/50/51/1247785051.db2.gz YRQGGTBDESFBQQ-FUHWJXTLSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054228741 1247785062 /nfs/dbraw/zinc/78/50/62/1247785062.db2.gz YRQGGTBDESFBQQ-FUHWJXTLSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054228741 1247785071 /nfs/dbraw/zinc/78/50/71/1247785071.db2.gz YRQGGTBDESFBQQ-FUHWJXTLSA-N 2 1 339.911 2.395 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001072080995 1254917427 /nfs/dbraw/zinc/91/74/27/1254917427.db2.gz FHWCSCDSTGPLBX-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001098230574 1257630406 /nfs/dbraw/zinc/63/04/06/1257630406.db2.gz KIDJNVWXQDAGJL-KYJSFNMBSA-N 2 1 328.460 2.449 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001098230574 1257630413 /nfs/dbraw/zinc/63/04/13/1257630413.db2.gz KIDJNVWXQDAGJL-KYJSFNMBSA-N 2 1 328.460 2.449 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](C)CC)CC1 ZINC001098461189 1257700018 /nfs/dbraw/zinc/70/00/18/1257700018.db2.gz SEGNIMTWDSDPGI-OWYHZJEWSA-N 2 1 331.504 2.099 20 30 EEEDMP C=CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001099527945 1258192360 /nfs/dbraw/zinc/19/23/60/1258192360.db2.gz FGOYMNISOGMPSA-FJIDUMEYSA-N 2 1 333.520 2.319 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099527945 1258192363 /nfs/dbraw/zinc/19/23/63/1258192363.db2.gz FGOYMNISOGMPSA-FJIDUMEYSA-N 2 1 333.520 2.319 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099527945 1258192368 /nfs/dbraw/zinc/19/23/68/1258192368.db2.gz FGOYMNISOGMPSA-FJIDUMEYSA-N 2 1 333.520 2.319 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001099554455 1258203383 /nfs/dbraw/zinc/20/33/83/1258203383.db2.gz YZTYVGVOIUGDEG-VJANTYMQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001099554455 1258203387 /nfs/dbraw/zinc/20/33/87/1258203387.db2.gz YZTYVGVOIUGDEG-VJANTYMQSA-N 2 1 342.487 2.327 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001100830028 1259312607 /nfs/dbraw/zinc/31/26/07/1259312607.db2.gz YBLGLHYEAPKOLV-UHFFFAOYSA-N 2 1 345.462 2.003 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001185668636 1278755347 /nfs/dbraw/zinc/75/53/47/1278755347.db2.gz FXGPGZPLTHAXGN-OAHLLOKOSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258569 1280762487 /nfs/dbraw/zinc/76/24/87/1280762487.db2.gz KNYJNXPOAXTBBG-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258569 1280762494 /nfs/dbraw/zinc/76/24/94/1280762494.db2.gz KNYJNXPOAXTBBG-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001190258569 1280762501 /nfs/dbraw/zinc/76/25/01/1280762501.db2.gz KNYJNXPOAXTBBG-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001190258569 1280762510 /nfs/dbraw/zinc/76/25/10/1280762510.db2.gz KNYJNXPOAXTBBG-YJBOKZPZSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192353810 1281946586 /nfs/dbraw/zinc/94/65/86/1281946586.db2.gz ICZNVCJKWVPZCH-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001192353810 1281946589 /nfs/dbraw/zinc/94/65/89/1281946589.db2.gz ICZNVCJKWVPZCH-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001192353810 1281946592 /nfs/dbraw/zinc/94/65/92/1281946592.db2.gz ICZNVCJKWVPZCH-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP CCCCCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001198190863 1285029298 /nfs/dbraw/zinc/02/92/98/1285029298.db2.gz WJIZCABVPIXNCN-GOSISDBHSA-N 2 1 339.524 2.212 20 30 EEEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001198190863 1285029304 /nfs/dbraw/zinc/02/93/04/1285029304.db2.gz WJIZCABVPIXNCN-GOSISDBHSA-N 2 1 339.524 2.212 20 30 EEEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001198190863 1285029312 /nfs/dbraw/zinc/02/93/12/1285029312.db2.gz WJIZCABVPIXNCN-GOSISDBHSA-N 2 1 339.524 2.212 20 30 EEEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001198190863 1285029320 /nfs/dbraw/zinc/02/93/20/1285029320.db2.gz WJIZCABVPIXNCN-GOSISDBHSA-N 2 1 339.524 2.212 20 30 EEEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)[NH+](C)C ZINC001110714925 1293678523 /nfs/dbraw/zinc/67/85/23/1293678523.db2.gz LMUFXGVVFDCKNE-WTGUMLROSA-N 2 1 339.483 2.100 20 30 EEEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)[NH+](C)C ZINC001110714925 1293678529 /nfs/dbraw/zinc/67/85/29/1293678529.db2.gz LMUFXGVVFDCKNE-WTGUMLROSA-N 2 1 339.483 2.100 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214642 1294351830 /nfs/dbraw/zinc/35/18/30/1294351830.db2.gz LZCSXTFFWLUMBV-MRXNPFEDSA-N 2 1 330.476 2.188 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214642 1294351836 /nfs/dbraw/zinc/35/18/36/1294351836.db2.gz LZCSXTFFWLUMBV-MRXNPFEDSA-N 2 1 330.476 2.188 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCC3CC3)C2)CC1 ZINC001072095584 1295237134 /nfs/dbraw/zinc/23/71/34/1295237134.db2.gz KWCXXEHJCCDYDO-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593178 1296101697 /nfs/dbraw/zinc/10/16/97/1296101697.db2.gz OAHCAZLSNNJIOH-KURKYZTESA-N 2 1 339.524 2.134 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001215001272 1296686530 /nfs/dbraw/zinc/68/65/30/1296686530.db2.gz BQACLLLXDUBRAC-DGCLKSJQSA-N 2 1 346.313 2.062 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098837818 1298711219 /nfs/dbraw/zinc/71/12/19/1298711219.db2.gz UWDXTCSSTFBYKB-LQWHRVPQSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001098837818 1298711224 /nfs/dbraw/zinc/71/12/24/1298711224.db2.gz UWDXTCSSTFBYKB-LQWHRVPQSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001098837818 1298711231 /nfs/dbraw/zinc/71/12/31/1298711231.db2.gz UWDXTCSSTFBYKB-LQWHRVPQSA-N 2 1 343.515 2.245 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099522213 1299183684 /nfs/dbraw/zinc/18/36/84/1299183684.db2.gz VJUKTGQQGMXANE-OKYOBFRVSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001223578409 1300180936 /nfs/dbraw/zinc/18/09/36/1300180936.db2.gz WPRTZZPEPCRZLX-OALUTQOASA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(CN(C)C)on2)C1 ZINC001103170619 1302376141 /nfs/dbraw/zinc/37/61/41/1302376141.db2.gz FDHPJZHEHQFQAG-HZPDHXFCSA-N 2 1 348.491 2.390 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170619 1302376156 /nfs/dbraw/zinc/37/61/56/1302376156.db2.gz FDHPJZHEHQFQAG-HZPDHXFCSA-N 2 1 348.491 2.390 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170619 1302376168 /nfs/dbraw/zinc/37/61/68/1302376168.db2.gz FDHPJZHEHQFQAG-HZPDHXFCSA-N 2 1 348.491 2.390 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103434174 1302956315 /nfs/dbraw/zinc/95/63/15/1302956315.db2.gz SGSWVEZQYGUSCZ-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001103434174 1302956317 /nfs/dbraw/zinc/95/63/17/1302956317.db2.gz SGSWVEZQYGUSCZ-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001103434174 1302956324 /nfs/dbraw/zinc/95/63/24/1302956324.db2.gz SGSWVEZQYGUSCZ-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001230101346 1303059026 /nfs/dbraw/zinc/05/90/26/1303059026.db2.gz JHAXIFYYWDNSBM-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230279881 1303138917 /nfs/dbraw/zinc/13/89/17/1303138917.db2.gz JMKBAHVHUMBTEU-ZIAGYGMSSA-N 2 1 346.313 2.252 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(C)C)C1 ZINC001112404112 1304525939 /nfs/dbraw/zinc/52/59/39/1304525939.db2.gz HXSYZSPPCCUJLW-ZJOUEHCJSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(C)C)C1 ZINC001112404112 1304525942 /nfs/dbraw/zinc/52/59/42/1304525942.db2.gz HXSYZSPPCCUJLW-ZJOUEHCJSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001235453602 1305238097 /nfs/dbraw/zinc/23/80/97/1305238097.db2.gz DEFXEHHCWFVLTE-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC(C)(C)C ZINC001235453602 1305238100 /nfs/dbraw/zinc/23/81/00/1305238100.db2.gz DEFXEHHCWFVLTE-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC(C)(C)C ZINC001235453602 1305238102 /nfs/dbraw/zinc/23/81/02/1305238102.db2.gz DEFXEHHCWFVLTE-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC(C)(C)C ZINC001235453602 1305238107 /nfs/dbraw/zinc/23/81/07/1305238107.db2.gz DEFXEHHCWFVLTE-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001122219051 1310240617 /nfs/dbraw/zinc/24/06/17/1310240617.db2.gz DLCWGLOKVCFENX-FKXCTXBZSA-N 2 1 349.519 2.079 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001122219051 1310240631 /nfs/dbraw/zinc/24/06/31/1310240631.db2.gz DLCWGLOKVCFENX-FKXCTXBZSA-N 2 1 349.519 2.079 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001246303785 1310277154 /nfs/dbraw/zinc/27/71/54/1310277154.db2.gz APQPDTZYKNWBAJ-INIZCTEOSA-N 3 1 325.497 2.066 20 30 EEEDMP N#CC1(c2ccccc2)CCC([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246619464 1310358632 /nfs/dbraw/zinc/35/86/32/1310358632.db2.gz RQQIVYYVSMFXDS-OMYXNUHHSA-N 2 1 338.499 2.416 20 30 EEEDMP N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246642954 1310367692 /nfs/dbraw/zinc/36/76/92/1310367692.db2.gz NMJRNXFWLZFEGD-SOAGJPPSSA-N 2 1 342.462 2.167 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731528 1316355849 /nfs/dbraw/zinc/35/58/49/1316355849.db2.gz MBTRJUGHCGNWJC-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001151161854 1316463881 /nfs/dbraw/zinc/46/38/81/1316463881.db2.gz DCKRRFXNLVDJOJ-QGZVFWFLSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001151161853 1316463995 /nfs/dbraw/zinc/46/39/95/1316463995.db2.gz DCKRRFXNLVDJOJ-KRWDZBQOSA-N 2 1 337.508 2.034 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451845 1316830902 /nfs/dbraw/zinc/83/09/02/1316830902.db2.gz LCULOPBPVJPYDG-CKEIUWERSA-N 2 1 348.516 2.287 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153451845 1316830904 /nfs/dbraw/zinc/83/09/04/1316830904.db2.gz LCULOPBPVJPYDG-CKEIUWERSA-N 2 1 348.516 2.287 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153451845 1316830906 /nfs/dbraw/zinc/83/09/06/1316830906.db2.gz LCULOPBPVJPYDG-CKEIUWERSA-N 2 1 348.516 2.287 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123376 1316964397 /nfs/dbraw/zinc/96/43/97/1316964397.db2.gz WVRAHKNAKKBYJG-QZTJIDSGSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154123376 1316964399 /nfs/dbraw/zinc/96/43/99/1316964399.db2.gz WVRAHKNAKKBYJG-QZTJIDSGSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154123376 1316964401 /nfs/dbraw/zinc/96/44/01/1316964401.db2.gz WVRAHKNAKKBYJG-QZTJIDSGSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001252594968 1317641513 /nfs/dbraw/zinc/64/15/13/1317641513.db2.gz CURMWZXRMWWWEM-SJLPKXTDSA-N 2 1 338.492 2.053 20 30 EEEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001252594968 1317641518 /nfs/dbraw/zinc/64/15/18/1317641518.db2.gz CURMWZXRMWWWEM-SJLPKXTDSA-N 2 1 338.492 2.053 20 30 EEEDMP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155829706 1317753086 /nfs/dbraw/zinc/75/30/86/1317753086.db2.gz OOKVOFKYOZSIFX-MRXNPFEDSA-N 2 1 336.480 2.001 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155829706 1317753088 /nfs/dbraw/zinc/75/30/88/1317753088.db2.gz OOKVOFKYOZSIFX-MRXNPFEDSA-N 2 1 336.480 2.001 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001159328253 1319741074 /nfs/dbraw/zinc/74/10/74/1319741074.db2.gz RLEVJJWPDLOHJY-SFHVURJKSA-N 2 1 328.460 2.029 20 30 EEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160353529 1320142986 /nfs/dbraw/zinc/14/29/86/1320142986.db2.gz XBAFYVKRWNTTGV-QGZVFWFLSA-N 2 1 328.460 2.475 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160353529 1320142991 /nfs/dbraw/zinc/14/29/91/1320142991.db2.gz XBAFYVKRWNTTGV-QGZVFWFLSA-N 2 1 328.460 2.475 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001160386321 1320151705 /nfs/dbraw/zinc/15/17/05/1320151705.db2.gz SSVRRUMEVINCDG-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001160386321 1320151707 /nfs/dbraw/zinc/15/17/07/1320151707.db2.gz SSVRRUMEVINCDG-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001160386321 1320151710 /nfs/dbraw/zinc/15/17/10/1320151710.db2.gz SSVRRUMEVINCDG-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001160386321 1320151712 /nfs/dbraw/zinc/15/17/12/1320151712.db2.gz SSVRRUMEVINCDG-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161688553 1320588351 /nfs/dbraw/zinc/58/83/51/1320588351.db2.gz MCRHVEBWGRIGLS-OAQYLSRUSA-N 2 1 339.483 2.235 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531826 1321409897 /nfs/dbraw/zinc/40/98/97/1321409897.db2.gz TXJIJSWLXZYCKU-JKSUJKDBSA-N 2 1 339.911 2.489 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205449710 1323140636 /nfs/dbraw/zinc/14/06/36/1323140636.db2.gz WVQVGORXGNTVNK-RBUKOAKNSA-N 2 1 345.462 2.075 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001205586187 1323206095 /nfs/dbraw/zinc/20/60/95/1323206095.db2.gz PNBAYPMJHHPHGI-UHFFFAOYSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001206281207 1323446235 /nfs/dbraw/zinc/44/62/35/1323446235.db2.gz FACZHDMEVLPBNT-QGZVFWFLSA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784447 1324148407 /nfs/dbraw/zinc/14/84/07/1324148407.db2.gz KJHFWVPVPHGTDF-SJLPKXTDSA-N 2 1 330.476 2.311 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001208424470 1324490527 /nfs/dbraw/zinc/49/05/27/1324490527.db2.gz ZHFDENIMOJWXNC-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208598135 1324581217 /nfs/dbraw/zinc/58/12/17/1324581217.db2.gz XYCXNRJBTSGYNA-QGPMSJSTSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208598135 1324581220 /nfs/dbraw/zinc/58/12/20/1324581220.db2.gz XYCXNRJBTSGYNA-QGPMSJSTSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209232556 1324866645 /nfs/dbraw/zinc/86/66/45/1324866645.db2.gz KGXAAVZUJVRSKW-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210146714 1325179015 /nfs/dbraw/zinc/17/90/15/1325179015.db2.gz WCFLGNVIFSSSKH-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCCO1 ZINC001200704712 1338535968 /nfs/dbraw/zinc/53/59/68/1338535968.db2.gz PFNJBCYSPJNGGQ-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001578776740 1344303261 /nfs/dbraw/zinc/30/32/61/1344303261.db2.gz FGFHPIOSHNBRSQ-OALUTQOASA-N 2 1 341.455 2.484 20 30 EEEDMP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001578776740 1344303266 /nfs/dbraw/zinc/30/32/66/1344303266.db2.gz FGFHPIOSHNBRSQ-OALUTQOASA-N 2 1 341.455 2.484 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071940070 1370582825 /nfs/dbraw/zinc/58/28/25/1370582825.db2.gz VLVIJBAMAWQJTE-HOCLYGCPSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071940070 1370582830 /nfs/dbraw/zinc/58/28/30/1370582830.db2.gz VLVIJBAMAWQJTE-HOCLYGCPSA-N 2 1 325.416 2.036 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115303781 1371563765 /nfs/dbraw/zinc/56/37/65/1371563765.db2.gz JSAAPSRRQOJLLK-YDZRNGNQSA-N 2 1 327.472 2.302 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115303781 1371563767 /nfs/dbraw/zinc/56/37/67/1371563767.db2.gz JSAAPSRRQOJLLK-YDZRNGNQSA-N 2 1 327.472 2.302 20 30 EEEDMP C#CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC001115729690 1371698732 /nfs/dbraw/zinc/69/87/32/1371698732.db2.gz PKLKWETVKMZDOP-LJQANCHMSA-N 2 1 337.483 2.241 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001121915087 1371933099 /nfs/dbraw/zinc/93/30/99/1371933099.db2.gz BJAZCWZGHIJQSU-UHFFFAOYSA-N 2 1 328.460 2.012 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001369583824 1374579812 /nfs/dbraw/zinc/57/98/12/1374579812.db2.gz QNMBAUNMWWQIGV-UHFFFAOYSA-N 2 1 349.906 2.492 20 30 EEEDMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1ccc(C#N)s1 ZINC001372726212 1376166668 /nfs/dbraw/zinc/16/66/68/1376166668.db2.gz ICGKHMPCAPJGNI-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1ccc(C#N)s1 ZINC001372726212 1376166671 /nfs/dbraw/zinc/16/66/71/1376166671.db2.gz ICGKHMPCAPJGNI-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP C[N@@H+](CC(=O)N[C@]1(C)CC[NH+](Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001375828564 1378036236 /nfs/dbraw/zinc/03/62/36/1378036236.db2.gz JPZJHQWNYMSRMF-HXUWFJFHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001375828564 1378036239 /nfs/dbraw/zinc/03/62/39/1378036239.db2.gz JPZJHQWNYMSRMF-HXUWFJFHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001375828564 1378036243 /nfs/dbraw/zinc/03/62/43/1378036243.db2.gz JPZJHQWNYMSRMF-HXUWFJFHSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001377396017 1379204155 /nfs/dbraw/zinc/20/41/55/1379204155.db2.gz UJKQUHRUZJJKRL-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001377396017 1379204158 /nfs/dbraw/zinc/20/41/58/1379204158.db2.gz UJKQUHRUZJJKRL-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001377396017 1379204163 /nfs/dbraw/zinc/20/41/63/1379204163.db2.gz UJKQUHRUZJJKRL-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001377419574 1379226434 /nfs/dbraw/zinc/22/64/34/1379226434.db2.gz UXNYAAFTTNLTBR-CJNGLKHVSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001377419574 1379226441 /nfs/dbraw/zinc/22/64/41/1379226441.db2.gz UXNYAAFTTNLTBR-CJNGLKHVSA-N 2 1 334.489 2.041 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001378167069 1379748373 /nfs/dbraw/zinc/74/83/73/1379748373.db2.gz QEFCGAAZPZXCIR-RTBURBONSA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001378167069 1379748380 /nfs/dbraw/zinc/74/83/80/1379748380.db2.gz QEFCGAAZPZXCIR-RTBURBONSA-N 2 1 342.487 2.177 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001378568813 1380071220 /nfs/dbraw/zinc/07/12/20/1380071220.db2.gz OLLVSJYSBFDWDL-AWEZNQCLSA-N 2 1 346.450 2.024 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001379588980 1380770016 /nfs/dbraw/zinc/77/00/16/1380770016.db2.gz TUFAVXIHASSCCC-ZIAGYGMSSA-N 2 1 346.313 2.206 20 30 EEEDMP C=C(Br)C[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001391314628 1389244098 /nfs/dbraw/zinc/24/40/98/1389244098.db2.gz IEVRZHZWEDBFEW-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001391314628 1389244102 /nfs/dbraw/zinc/24/41/02/1389244102.db2.gz IEVRZHZWEDBFEW-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001394810715 1390750033 /nfs/dbraw/zinc/75/00/33/1390750033.db2.gz LHGHCZGFSPYARU-MSOLQXFVSA-N 2 1 342.487 2.273 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccc(F)c(C#N)c1 ZINC001492877993 1394346996 /nfs/dbraw/zinc/34/69/96/1394346996.db2.gz FLIAXPPJAYZKLP-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001492877993 1394347022 /nfs/dbraw/zinc/34/70/22/1394347022.db2.gz FLIAXPPJAYZKLP-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001492877993 1394347032 /nfs/dbraw/zinc/34/70/32/1394347032.db2.gz FLIAXPPJAYZKLP-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP C[N@@H+](CC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1)CC(C)(C)C ZINC001401968303 1397698618 /nfs/dbraw/zinc/69/86/18/1397698618.db2.gz VWQCNARKWYMDCN-UHFFFAOYSA-N 2 1 342.487 2.275 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001402683176 1398149868 /nfs/dbraw/zinc/14/98/68/1398149868.db2.gz DDNJPBDTFFSINJ-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001755028297 1407053861 /nfs/dbraw/zinc/05/38/61/1407053861.db2.gz CZTBEKHBUOLFAB-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001755028297 1407053868 /nfs/dbraw/zinc/05/38/68/1407053868.db2.gz CZTBEKHBUOLFAB-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001422518662 1399978041 /nfs/dbraw/zinc/97/80/41/1399978041.db2.gz BTCPENDJOJBFJH-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001422518662 1399978043 /nfs/dbraw/zinc/97/80/43/1399978043.db2.gz BTCPENDJOJBFJH-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577627630 1403665643 /nfs/dbraw/zinc/66/56/43/1403665643.db2.gz JYVIIWBWIRDSRL-QZTJIDSGSA-N 2 1 328.460 2.131 20 30 EEEDMP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001755490009 1407526713 /nfs/dbraw/zinc/52/67/13/1407526713.db2.gz IHBXESYASWVBHW-HKUYNNGSSA-N 2 1 327.472 2.007 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001755747647 1407806021 /nfs/dbraw/zinc/80/60/21/1407806021.db2.gz VZKHRAXYYJNUOI-DOTOQJQBSA-N 2 1 339.443 2.332 20 30 EEEDMP CC(C)[N@H+](C)Cc1nn(-c2ncc(Cl)cc2C#N)c2c1CC[NH2+]C2 ZINC001164684683 719633558 /nfs/dbraw/zinc/63/35/58/719633558.db2.gz WFQIOELCKVBRCG-UHFFFAOYSA-N 2 1 344.850 2.278 20 30 EEEDMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(Cl)cc2C#N)c2c1CC[NH2+]C2 ZINC001164684683 719633571 /nfs/dbraw/zinc/63/35/71/719633571.db2.gz WFQIOELCKVBRCG-UHFFFAOYSA-N 2 1 344.850 2.278 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)CC[C@H]1CCC[N@H+]1C)C[C@@H](C)O2 ZINC001098606779 765221919 /nfs/dbraw/zinc/22/19/19/765221919.db2.gz VKXWZIQJBHHPSY-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]2C1 ZINC001088043127 782810785 /nfs/dbraw/zinc/81/07/85/782810785.db2.gz AEXSFTHRGYFHSQ-SJORKVTESA-N 2 1 342.487 2.118 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]2C1 ZINC001088043127 782810788 /nfs/dbraw/zinc/81/07/88/782810788.db2.gz AEXSFTHRGYFHSQ-SJORKVTESA-N 2 1 342.487 2.118 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000919861149 770383520 /nfs/dbraw/zinc/38/35/20/770383520.db2.gz PCAZGCOLPNGTTA-VOTSOKGWSA-N 2 1 347.422 2.357 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC000979712489 770928658 /nfs/dbraw/zinc/92/86/58/770928658.db2.gz MUFBCCJVTXLNPN-OTWHNJEPSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000995260541 782893969 /nfs/dbraw/zinc/89/39/69/782893969.db2.gz RQJNFAADRIWNDH-OALUTQOASA-N 2 1 342.487 2.012 20 30 EEEDMP C=CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000995260541 782893971 /nfs/dbraw/zinc/89/39/71/782893971.db2.gz RQJNFAADRIWNDH-OALUTQOASA-N 2 1 342.487 2.012 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000995260541 782893977 /nfs/dbraw/zinc/89/39/77/782893977.db2.gz RQJNFAADRIWNDH-OALUTQOASA-N 2 1 342.487 2.012 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088095495 782900648 /nfs/dbraw/zinc/90/06/48/782900648.db2.gz QNMLELLQLHQDRC-OWCLPIDISA-N 2 1 327.900 2.105 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088095495 782900654 /nfs/dbraw/zinc/90/06/54/782900654.db2.gz QNMLELLQLHQDRC-OWCLPIDISA-N 2 1 327.900 2.105 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980142758 773972385 /nfs/dbraw/zinc/97/23/85/773972385.db2.gz MBMRVYUZPSZQRI-KSZLIROESA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980142758 773972390 /nfs/dbraw/zinc/97/23/90/773972390.db2.gz MBMRVYUZPSZQRI-KSZLIROESA-N 2 1 330.476 2.374 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001089660656 774045700 /nfs/dbraw/zinc/04/57/00/774045700.db2.gz NECKDECWRHKBSW-INIZCTEOSA-N 2 1 338.455 2.496 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(C)C)C[C@H]3C2)CC1 ZINC000980251731 774191475 /nfs/dbraw/zinc/19/14/75/774191475.db2.gz GCUIFWIAONSPQL-XUVXKRRUSA-N 2 1 345.531 2.204 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839276 777495744 /nfs/dbraw/zinc/49/57/44/777495744.db2.gz RWLGGQXHPJESDU-OBZTUIKSSA-N 2 1 348.450 2.140 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001089839481 777549695 /nfs/dbraw/zinc/54/96/95/777549695.db2.gz TZPQTEYGSUFSOU-QZHFEQFPSA-N 2 1 336.439 2.303 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839480 777550217 /nfs/dbraw/zinc/55/02/17/777550217.db2.gz TZPQTEYGSUFSOU-PIKADFDJSA-N 2 1 336.439 2.303 20 30 EEEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001089847745 777907479 /nfs/dbraw/zinc/90/74/79/777907479.db2.gz XKPGGMOLKYYABI-VJANTYMQSA-N 2 1 343.515 2.053 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000981865671 778421983 /nfs/dbraw/zinc/42/19/83/778421983.db2.gz VHCNIDGFCVSHPU-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865671 778421987 /nfs/dbraw/zinc/42/19/87/778421987.db2.gz VHCNIDGFCVSHPU-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865671 778421993 /nfs/dbraw/zinc/42/19/93/778421993.db2.gz VHCNIDGFCVSHPU-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982472914 778500216 /nfs/dbraw/zinc/50/02/16/778500216.db2.gz PNWGOTWWPFYVES-SESVDKBCSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982472914 778500221 /nfs/dbraw/zinc/50/02/21/778500221.db2.gz PNWGOTWWPFYVES-SESVDKBCSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982472914 778500225 /nfs/dbraw/zinc/50/02/25/778500225.db2.gz PNWGOTWWPFYVES-SESVDKBCSA-N 2 1 345.531 2.302 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088857500 790809154 /nfs/dbraw/zinc/80/91/54/790809154.db2.gz RFFWRRFKCJYXBU-FCEWJHQRSA-N 2 1 340.471 2.122 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088857500 790809171 /nfs/dbraw/zinc/80/91/71/790809171.db2.gz RFFWRRFKCJYXBU-FCEWJHQRSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394072 781771777 /nfs/dbraw/zinc/77/17/77/781771777.db2.gz NVUGAMZCWKSCNT-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813448 781855780 /nfs/dbraw/zinc/85/57/80/781855780.db2.gz GPLBYCNFOIRCLT-CAOSSQGBSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813448 781855789 /nfs/dbraw/zinc/85/57/89/781855789.db2.gz GPLBYCNFOIRCLT-CAOSSQGBSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813448 781855792 /nfs/dbraw/zinc/85/57/92/781855792.db2.gz GPLBYCNFOIRCLT-CAOSSQGBSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813448 781855801 /nfs/dbraw/zinc/85/58/01/781855801.db2.gz GPLBYCNFOIRCLT-CAOSSQGBSA-N 2 1 325.884 2.002 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001035051869 783657895 /nfs/dbraw/zinc/65/78/95/783657895.db2.gz SPCQQNQEMQFCLB-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089893944 783785348 /nfs/dbraw/zinc/78/53/48/783785348.db2.gz QCYQNAOITAAUEY-RDGPPVDQSA-N 2 1 343.515 2.217 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035237837 784158100 /nfs/dbraw/zinc/15/81/00/784158100.db2.gz WVKRFUGBNQUGBD-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035237837 784158106 /nfs/dbraw/zinc/15/81/06/784158106.db2.gz WVKRFUGBNQUGBD-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035237837 784158109 /nfs/dbraw/zinc/15/81/09/784158109.db2.gz WVKRFUGBNQUGBD-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244110 784174720 /nfs/dbraw/zinc/17/47/20/784174720.db2.gz IXCXNWBRJQPUIC-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000819335528 785511978 /nfs/dbraw/zinc/51/19/78/785511978.db2.gz KLBCYLLZJBFAFS-ROUUACIJSA-N 2 1 345.512 2.225 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000819335528 785511983 /nfs/dbraw/zinc/51/19/83/785511983.db2.gz KLBCYLLZJBFAFS-ROUUACIJSA-N 2 1 345.512 2.225 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCN3CCOCC3)CCC[C@@H]12 ZINC001107579294 787734612 /nfs/dbraw/zinc/73/46/12/787734612.db2.gz BKGOOCKBYMOXGG-UYAOXDASSA-N 2 1 349.519 2.036 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579294 787734617 /nfs/dbraw/zinc/73/46/17/787734617.db2.gz BKGOOCKBYMOXGG-UYAOXDASSA-N 2 1 349.519 2.036 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579294 787734622 /nfs/dbraw/zinc/73/46/22/787734622.db2.gz BKGOOCKBYMOXGG-UYAOXDASSA-N 2 1 349.519 2.036 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107593706 787805677 /nfs/dbraw/zinc/80/56/77/787805677.db2.gz SOLIFFPHFHAITO-UYAOXDASSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000997086737 788746186 /nfs/dbraw/zinc/74/61/86/788746186.db2.gz VEUGRXWVHQONHV-IEBWSBKVSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997131665 789045165 /nfs/dbraw/zinc/04/51/65/789045165.db2.gz FPNKAQRKYRFGHM-MJGOQNOKSA-N 2 1 333.520 2.204 20 30 EEEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000997188154 789387220 /nfs/dbraw/zinc/38/72/20/789387220.db2.gz YTIWSCRVZZQKHU-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000846102850 790063115 /nfs/dbraw/zinc/06/31/15/790063115.db2.gz VHHRVRWRMNPZIY-MRXNPFEDSA-N 2 1 335.517 2.455 20 30 EEEDMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001147347742 791792900 /nfs/dbraw/zinc/79/29/00/791792900.db2.gz CYSFOVQQJSJHKE-IBGZPJMESA-N 2 1 342.487 2.419 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998028747 791854376 /nfs/dbraw/zinc/85/43/76/791854376.db2.gz AGMXNJKDGIHYKD-SJORKVTESA-N 2 1 328.460 2.097 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998028747 791854378 /nfs/dbraw/zinc/85/43/78/791854378.db2.gz AGMXNJKDGIHYKD-SJORKVTESA-N 2 1 328.460 2.097 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001147567017 791885782 /nfs/dbraw/zinc/88/57/82/791885782.db2.gz TXXCOZWEQVVITB-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001147567017 791885788 /nfs/dbraw/zinc/88/57/88/791885788.db2.gz TXXCOZWEQVVITB-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001147567017 791885792 /nfs/dbraw/zinc/88/57/92/791885792.db2.gz TXXCOZWEQVVITB-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001086938325 793023856 /nfs/dbraw/zinc/02/38/56/793023856.db2.gz NKUJFQFVAYQDDK-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956091 793097693 /nfs/dbraw/zinc/09/76/93/793097693.db2.gz DZIZYGBURXGTBL-CVEARBPZSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@H]12 ZINC000992194196 793169467 /nfs/dbraw/zinc/16/94/67/793169467.db2.gz WYJXKRTZDMEUBB-XKGZKEIXSA-N 2 1 342.487 2.443 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@H]12 ZINC000992194196 793169471 /nfs/dbraw/zinc/16/94/71/793169471.db2.gz WYJXKRTZDMEUBB-XKGZKEIXSA-N 2 1 342.487 2.443 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092302904 793779000 /nfs/dbraw/zinc/77/90/00/793779000.db2.gz FFKRNLATXNKTTC-HBFSDRIKSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304528 793781988 /nfs/dbraw/zinc/78/19/88/793781988.db2.gz MFMKNIXFINSNQG-GGPKGHCWSA-N 2 1 327.472 2.256 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304528 793781990 /nfs/dbraw/zinc/78/19/90/793781990.db2.gz MFMKNIXFINSNQG-GGPKGHCWSA-N 2 1 327.472 2.256 20 30 EEEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980363 806315792 /nfs/dbraw/zinc/31/57/92/806315792.db2.gz MWJKPFYHNIOGPX-SQNIBIBYSA-N 2 1 339.524 2.257 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCC(=C)C)CC3)CC1 ZINC000992515502 794470998 /nfs/dbraw/zinc/47/09/98/794470998.db2.gz ZEXGNIFBFFPLNY-FPOVZHCZSA-N 2 1 343.515 2.411 20 30 EEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000999445319 794496858 /nfs/dbraw/zinc/49/68/58/794496858.db2.gz MFKRXZXLLXBTQT-TUNPWDSISA-N 2 1 341.499 2.487 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999573759 794672108 /nfs/dbraw/zinc/67/21/08/794672108.db2.gz JTYARYXRJVOSOJ-HOTGVXAUSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001093360735 795086980 /nfs/dbraw/zinc/08/69/80/795086980.db2.gz FGPAKTWWYYMBLY-RTBURBONSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093360735 795086988 /nfs/dbraw/zinc/08/69/88/795086988.db2.gz FGPAKTWWYYMBLY-RTBURBONSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093360735 795086996 /nfs/dbraw/zinc/08/69/96/795086996.db2.gz FGPAKTWWYYMBLY-RTBURBONSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700606 795119231 /nfs/dbraw/zinc/11/92/31/795119231.db2.gz FYYLCEQLNQQQBX-ZIFCJYIRSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079700606 795119234 /nfs/dbraw/zinc/11/92/34/795119234.db2.gz FYYLCEQLNQQQBX-ZIFCJYIRSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079700606 795119239 /nfs/dbraw/zinc/11/92/39/795119239.db2.gz FYYLCEQLNQQQBX-ZIFCJYIRSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108006985 795486217 /nfs/dbraw/zinc/48/62/17/795486217.db2.gz JDJVMLCWNGDUGZ-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108006985 795486222 /nfs/dbraw/zinc/48/62/22/795486222.db2.gz JDJVMLCWNGDUGZ-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574381 795862556 /nfs/dbraw/zinc/86/25/56/795862556.db2.gz HRNAVELCEIMQJY-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483887 796076366 /nfs/dbraw/zinc/07/63/66/796076366.db2.gz ADTDAAABLZMCFJ-RSPOEFSDSA-N 2 1 341.499 2.344 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001112545989 806507790 /nfs/dbraw/zinc/50/77/90/806507790.db2.gz NXDNAQCBTXMVSU-ICSRJNTNSA-N 2 1 342.487 2.213 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C(C)C)C1 ZINC001081126753 796669809 /nfs/dbraw/zinc/66/98/09/796669809.db2.gz CBVDTTORNVQJRQ-ZCNNSNEGSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C(C)C)C1 ZINC001081126753 796669812 /nfs/dbraw/zinc/66/98/12/796669812.db2.gz CBVDTTORNVQJRQ-ZCNNSNEGSA-N 2 1 339.483 2.077 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993570483 796827962 /nfs/dbraw/zinc/82/79/62/796827962.db2.gz HNBSUIHCTZONJO-NVXWUHKLSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993570481 796828056 /nfs/dbraw/zinc/82/80/56/796828056.db2.gz HNBSUIHCTZONJO-DOTOQJQBSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081672978 796846945 /nfs/dbraw/zinc/84/69/45/796846945.db2.gz RFHFVOFOEWVKRW-QXAKKESOSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081672978 796846949 /nfs/dbraw/zinc/84/69/49/796846949.db2.gz RFHFVOFOEWVKRW-QXAKKESOSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081672978 796846952 /nfs/dbraw/zinc/84/69/52/796846952.db2.gz RFHFVOFOEWVKRW-QXAKKESOSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081672977 796847120 /nfs/dbraw/zinc/84/71/20/796847120.db2.gz RFHFVOFOEWVKRW-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081672977 796847124 /nfs/dbraw/zinc/84/71/24/796847124.db2.gz RFHFVOFOEWVKRW-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081672977 796847130 /nfs/dbraw/zinc/84/71/30/796847130.db2.gz RFHFVOFOEWVKRW-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H](OC)C1 ZINC001082319983 797446806 /nfs/dbraw/zinc/44/68/06/797446806.db2.gz RWWJEVBXUJXZRJ-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H](OC)C1 ZINC001082319983 797446811 /nfs/dbraw/zinc/44/68/11/797446811.db2.gz RWWJEVBXUJXZRJ-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](OC)C1 ZINC001082319983 797446815 /nfs/dbraw/zinc/44/68/15/797446815.db2.gz RWWJEVBXUJXZRJ-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](OC)C1 ZINC001082319983 797446819 /nfs/dbraw/zinc/44/68/19/797446819.db2.gz RWWJEVBXUJXZRJ-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001108040920 797475640 /nfs/dbraw/zinc/47/56/40/797475640.db2.gz WQZAPVLUZNYBGS-IBGZPJMESA-N 2 1 342.443 2.040 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001112560788 806587181 /nfs/dbraw/zinc/58/71/81/806587181.db2.gz PKLGQJZSRZGRIR-ZJOUEHCJSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001002157458 797641296 /nfs/dbraw/zinc/64/12/96/797641296.db2.gz JVIYHXVUXOZAHM-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001002157458 797641301 /nfs/dbraw/zinc/64/13/01/797641301.db2.gz JVIYHXVUXOZAHM-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174890084 797904541 /nfs/dbraw/zinc/90/45/41/797904541.db2.gz PBMPOILPRTXWKF-MSOLQXFVSA-N 2 1 339.524 2.326 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174890084 797904545 /nfs/dbraw/zinc/90/45/45/797904545.db2.gz PBMPOILPRTXWKF-MSOLQXFVSA-N 2 1 339.524 2.326 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994482867 798078225 /nfs/dbraw/zinc/07/82/25/798078225.db2.gz FJEOFXSVEXKWAF-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CCC[NH2+]CCCCCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001179033485 799760179 /nfs/dbraw/zinc/76/01/79/799760179.db2.gz NXUZSOCLTGPJCC-UHFFFAOYSA-N 2 1 330.476 2.051 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001184822256 802209509 /nfs/dbraw/zinc/20/95/09/802209509.db2.gz QGUIENCSCIPKLL-HOTGVXAUSA-N 2 1 330.476 2.022 20 30 EEEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001108725810 804405457 /nfs/dbraw/zinc/40/54/57/804405457.db2.gz LKGRKCBIFHTDGV-BBWFWOEESA-N 2 1 342.487 2.307 20 30 EEEDMP C=CCOCC[NH+]1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001113528873 809146969 /nfs/dbraw/zinc/14/69/69/809146969.db2.gz UQHJBFNRINYIMK-UHFFFAOYSA-N 2 1 339.524 2.235 20 30 EEEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001086609490 810021933 /nfs/dbraw/zinc/02/19/33/810021933.db2.gz JMJNCVBPLRFYAU-NZSAHSFTSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001086609490 810021939 /nfs/dbraw/zinc/02/19/39/810021939.db2.gz JMJNCVBPLRFYAU-NZSAHSFTSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001086609490 810021946 /nfs/dbraw/zinc/02/19/46/810021946.db2.gz JMJNCVBPLRFYAU-NZSAHSFTSA-N 2 1 327.472 2.098 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001130710796 811958934 /nfs/dbraw/zinc/95/89/34/811958934.db2.gz FMMHZFBUPSCRQF-GOSISDBHSA-N 2 1 346.450 2.024 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001437686225 1090225735 /nfs/dbraw/zinc/22/57/35/1090225735.db2.gz LJIFXJIMKWSSLQ-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001437686225 1090225740 /nfs/dbraw/zinc/22/57/40/1090225740.db2.gz LJIFXJIMKWSSLQ-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001437686225 1090225749 /nfs/dbraw/zinc/22/57/49/1090225749.db2.gz LJIFXJIMKWSSLQ-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001437686225 1090225754 /nfs/dbraw/zinc/22/57/54/1090225754.db2.gz LJIFXJIMKWSSLQ-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1C ZINC001448975507 1093978798 /nfs/dbraw/zinc/97/87/98/1093978798.db2.gz IFLNENKKYIAPAQ-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001503003417 1113871000 /nfs/dbraw/zinc/87/10/00/1113871000.db2.gz RCDQXXRVKWQBMO-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001503003417 1113871009 /nfs/dbraw/zinc/87/10/09/1113871009.db2.gz RCDQXXRVKWQBMO-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001503003417 1113871012 /nfs/dbraw/zinc/87/10/12/1113871012.db2.gz RCDQXXRVKWQBMO-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@@H]1C ZINC001507287144 1115175102 /nfs/dbraw/zinc/17/51/02/1115175102.db2.gz DPZCHIFNLRZRFU-SJLPKXTDSA-N 2 1 349.906 2.492 20 30 EEEDMP C#CCNC(=O)CC[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000491619703 533163102 /nfs/dbraw/zinc/16/31/02/533163102.db2.gz MMODBIUPLDLZQJ-IEBWSBKVSA-N 2 1 327.472 2.016 20 30 EEEDMP C#C[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000491416265 533285626 /nfs/dbraw/zinc/28/56/26/533285626.db2.gz KDMFWYOMFRQJCG-KRWDZBQOSA-N 2 1 327.472 2.029 20 30 EEEDMP C#C[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000491416265 533285628 /nfs/dbraw/zinc/28/56/28/533285628.db2.gz KDMFWYOMFRQJCG-KRWDZBQOSA-N 2 1 327.472 2.029 20 30 EEEDMP Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C#N ZINC000369196284 166209838 /nfs/dbraw/zinc/20/98/38/166209838.db2.gz FALFFXSWLOOAGL-LJQANCHMSA-N 2 1 340.471 2.107 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C#N)c1 ZINC000058358044 279303059 /nfs/dbraw/zinc/30/30/59/279303059.db2.gz SUWLWYAMNWQTBB-GOSISDBHSA-N 2 1 328.460 2.046 20 30 EEEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc[nH+]1 ZINC000328848339 465146776 /nfs/dbraw/zinc/14/67/76/465146776.db2.gz RAWYFJIRKAYYFL-QXSJWSMHSA-N 2 1 346.454 2.083 20 30 EEEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc[nH+]1 ZINC000328848339 465146782 /nfs/dbraw/zinc/14/67/82/465146782.db2.gz RAWYFJIRKAYYFL-QXSJWSMHSA-N 2 1 346.454 2.083 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000074877493 462648911 /nfs/dbraw/zinc/64/89/11/462648911.db2.gz XERSNHUTYVWFRZ-KRWDZBQOSA-N 2 1 334.508 2.010 20 30 EEEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000075860541 462766099 /nfs/dbraw/zinc/76/60/99/462766099.db2.gz HKUHTNFFHONYNI-MSOLQXFVSA-N 2 1 331.460 2.104 20 30 EEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000075860541 462766103 /nfs/dbraw/zinc/76/61/03/462766103.db2.gz HKUHTNFFHONYNI-MSOLQXFVSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000075860541 462766108 /nfs/dbraw/zinc/76/61/08/462766108.db2.gz HKUHTNFFHONYNI-MSOLQXFVSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000075860541 462766116 /nfs/dbraw/zinc/76/61/16/462766116.db2.gz HKUHTNFFHONYNI-MSOLQXFVSA-N 2 1 331.460 2.104 20 30 EEEDMP C#CCNC(=O)CC[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000491619706 468361332 /nfs/dbraw/zinc/36/13/32/468361332.db2.gz MMODBIUPLDLZQJ-MJGOQNOKSA-N 2 1 327.472 2.016 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C#N)c1 ZINC000058223670 463555655 /nfs/dbraw/zinc/55/56/55/463555655.db2.gz QLDGTXRWSWHIMZ-SFHVURJKSA-N 2 1 343.475 2.438 20 30 EEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N[C@H](C)COC)c1cccc(OC)c1 ZINC000264060790 464278582 /nfs/dbraw/zinc/27/85/82/464278582.db2.gz CSZWFOUICHKNFJ-PBHICJAKSA-N 2 1 336.480 2.017 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248543125 464762317 /nfs/dbraw/zinc/76/23/17/464762317.db2.gz CJUWRPNLQBTULH-ZACQAIPSSA-N 2 1 334.508 2.237 20 30 EEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248543125 464762323 /nfs/dbraw/zinc/76/23/23/464762323.db2.gz CJUWRPNLQBTULH-ZACQAIPSSA-N 2 1 334.508 2.237 20 30 EEEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000267326559 464926339 /nfs/dbraw/zinc/92/63/39/464926339.db2.gz QOZDFAKNNOTHDT-UHFFFAOYSA-N 2 1 343.519 2.320 20 30 EEEDMP CN1CCC[N@H+](CCCNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000267326559 464926345 /nfs/dbraw/zinc/92/63/45/464926345.db2.gz QOZDFAKNNOTHDT-UHFFFAOYSA-N 2 1 343.519 2.320 20 30 EEEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000267326559 464926351 /nfs/dbraw/zinc/92/63/51/464926351.db2.gz QOZDFAKNNOTHDT-UHFFFAOYSA-N 2 1 343.519 2.320 20 30 EEEDMP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329891102 465464233 /nfs/dbraw/zinc/46/42/33/465464233.db2.gz HISGVHNRFAJCLC-MRXNPFEDSA-N 2 1 333.480 2.071 20 30 EEEDMP C[C@H](CCNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCCCC1 ZINC000329908353 465469338 /nfs/dbraw/zinc/46/93/38/465469338.db2.gz UIEUPBBNECNGTM-HZPDHXFCSA-N 2 1 333.480 2.214 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NCCn1cc[nH+]c1C)C(C)C ZINC000299532711 465789120 /nfs/dbraw/zinc/78/91/20/465789120.db2.gz ZUMDZISWXMSCOC-QGZVFWFLSA-N 2 1 333.480 2.189 20 30 EEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000340196111 465863889 /nfs/dbraw/zinc/86/38/89/465863889.db2.gz VQYKZECFQIQQHF-GOSISDBHSA-N 2 1 331.460 2.500 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000516594091 468036285 /nfs/dbraw/zinc/03/62/85/468036285.db2.gz SZFVMLNJYVNEJJ-UHFFFAOYSA-N 2 1 336.399 2.349 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCc3ccc(C#N)cc3)C2)CC1 ZINC000595337846 468816810 /nfs/dbraw/zinc/81/68/10/468816810.db2.gz LTIUKOCEFTWHIL-HXUWFJFHSA-N 2 1 326.488 2.201 20 30 EEEDMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595620637 468926722 /nfs/dbraw/zinc/92/67/22/468926722.db2.gz NYZHLJYYYRVIIQ-SJLPKXTDSA-N 2 1 328.460 2.031 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000104180768 528659844 /nfs/dbraw/zinc/65/98/44/528659844.db2.gz VTNQUGMZCBLJLT-HNNXBMFYSA-N 2 1 338.521 2.291 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039242867 676256349 /nfs/dbraw/zinc/25/63/49/676256349.db2.gz CUQVAQQTLVJGQP-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCC=C)CC[C@@H]32)CC1 ZINC001021738667 676396879 /nfs/dbraw/zinc/39/68/79/676396879.db2.gz CNTWMWNLNNDCCI-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCCF)CC[C@H]32)CC1 ZINC001021739131 676397092 /nfs/dbraw/zinc/39/70/92/676397092.db2.gz GRNSPINITHEWMH-RBUKOAKNSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCC)CC[C@@H]32)CC1 ZINC001021740222 676399139 /nfs/dbraw/zinc/39/91/39/676399139.db2.gz RSPFTZCZPCSTRP-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972407297 678695376 /nfs/dbraw/zinc/69/53/76/678695376.db2.gz DWDZSKFCKHFXEZ-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972407297 678695381 /nfs/dbraw/zinc/69/53/81/678695381.db2.gz DWDZSKFCKHFXEZ-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972407297 678695383 /nfs/dbraw/zinc/69/53/83/678695383.db2.gz DWDZSKFCKHFXEZ-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972407297 678695386 /nfs/dbraw/zinc/69/53/86/678695386.db2.gz DWDZSKFCKHFXEZ-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371314 679277686 /nfs/dbraw/zinc/27/76/86/679277686.db2.gz XMNUFZLYKJCJFZ-MOPGFXCFSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023371314 679277687 /nfs/dbraw/zinc/27/76/87/679277687.db2.gz XMNUFZLYKJCJFZ-MOPGFXCFSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023371314 679277689 /nfs/dbraw/zinc/27/76/89/679277689.db2.gz XMNUFZLYKJCJFZ-MOPGFXCFSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001024478532 679951698 /nfs/dbraw/zinc/95/16/98/679951698.db2.gz SPRVEURRMPQDSJ-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001024478532 679951707 /nfs/dbraw/zinc/95/17/07/679951707.db2.gz SPRVEURRMPQDSJ-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001024478532 679951701 /nfs/dbraw/zinc/95/17/01/679951701.db2.gz SPRVEURRMPQDSJ-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2C/C=C/Cl)CC1 ZINC001024812355 681465382 /nfs/dbraw/zinc/46/53/82/681465382.db2.gz NXIQOIRGGASULF-MPNRVQBSSA-N 2 1 337.895 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2C/C=C/Cl)CC1 ZINC001024812355 681465384 /nfs/dbraw/zinc/46/53/84/681465384.db2.gz NXIQOIRGGASULF-MPNRVQBSSA-N 2 1 337.895 2.055 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001028805559 682263250 /nfs/dbraw/zinc/26/32/50/682263250.db2.gz QKWQSMCERGLYIO-INIZCTEOSA-N 2 1 346.475 2.288 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001028805559 682263257 /nfs/dbraw/zinc/26/32/57/682263257.db2.gz QKWQSMCERGLYIO-INIZCTEOSA-N 2 1 346.475 2.288 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025259425 682338405 /nfs/dbraw/zinc/33/84/05/682338405.db2.gz NGFSZZLRQZPTHA-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025259421 682338524 /nfs/dbraw/zinc/33/85/24/682338524.db2.gz NGFSZZLRQZPTHA-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596783 683077894 /nfs/dbraw/zinc/07/78/94/683077894.db2.gz HHZRMYMXAQEUIS-CVEARBPZSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025631233 683169656 /nfs/dbraw/zinc/16/96/56/683169656.db2.gz YSGLFPNICKTMDZ-IAGOWNOFSA-N 2 1 327.472 2.212 20 30 EEEDMP Cc1cc(C#N)nc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000892984639 683475406 /nfs/dbraw/zinc/47/54/06/683475406.db2.gz DOEHNAXQEAVEOS-JWTNVVGKSA-N 2 1 325.460 2.009 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC3CC(C)C3)C2)CC1 ZINC001027693846 694000906 /nfs/dbraw/zinc/00/09/06/694000906.db2.gz KNMITSSHUJKWNM-AFMYVXGZSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028214 1193332636 /nfs/dbraw/zinc/33/26/36/1193332636.db2.gz FYTFJGWNDWPZBX-APWZRJJASA-N 2 1 327.472 2.212 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccccc1C#N ZINC001482602445 1187342810 /nfs/dbraw/zinc/34/28/10/1187342810.db2.gz UFYISRKBZLWYSP-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)CCO2 ZINC001105481898 1188098624 /nfs/dbraw/zinc/09/86/24/1188098624.db2.gz KNKNHAATCJPZCP-ZJRDLVKKSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105575011 1188188965 /nfs/dbraw/zinc/18/89/65/1188188965.db2.gz OZSIOZGDVKVPQW-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001168321140 1188290914 /nfs/dbraw/zinc/29/09/14/1188290914.db2.gz YWSVTLZEZIPJEN-UHFFFAOYSA-N 2 1 348.516 2.336 20 30 EEEDMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001005177228 1194667056 /nfs/dbraw/zinc/66/70/56/1194667056.db2.gz BSMCIVNDUXERDE-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050823 1195705973 /nfs/dbraw/zinc/70/59/73/1195705973.db2.gz PHSUOLQRKNPQQP-INIZCTEOSA-N 2 1 331.460 2.291 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050823 1195705976 /nfs/dbraw/zinc/70/59/76/1195705976.db2.gz PHSUOLQRKNPQQP-INIZCTEOSA-N 2 1 331.460 2.291 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248827 1195982929 /nfs/dbraw/zinc/98/29/29/1195982929.db2.gz FYKZFLIYEPUYDB-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248827 1195982931 /nfs/dbraw/zinc/98/29/31/1195982931.db2.gz FYKZFLIYEPUYDB-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248827 1195982932 /nfs/dbraw/zinc/98/29/32/1195982932.db2.gz FYKZFLIYEPUYDB-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248905 1195983088 /nfs/dbraw/zinc/98/30/88/1195983088.db2.gz HEWVHHVJRSHNAM-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248905 1195983091 /nfs/dbraw/zinc/98/30/91/1195983091.db2.gz HEWVHHVJRSHNAM-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248905 1195983094 /nfs/dbraw/zinc/98/30/94/1195983094.db2.gz HEWVHHVJRSHNAM-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332334 1196102048 /nfs/dbraw/zinc/10/20/48/1196102048.db2.gz XTKLCJFKTGPLOB-IBGZPJMESA-N 2 1 341.499 2.398 20 30 EEEDMP C=CCCCCC[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890127 1199147660 /nfs/dbraw/zinc/14/76/60/1199147660.db2.gz HLYWKMZZCWBZKX-UHFFFAOYSA-N 2 1 334.464 2.336 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126517 1199334476 /nfs/dbraw/zinc/33/44/76/1199334476.db2.gz VPSICQCISBISOH-QRQLOZEOSA-N 2 1 329.488 2.392 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132374903 1199636306 /nfs/dbraw/zinc/63/63/06/1199636306.db2.gz AOUBDKDRYQLTIW-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001134723550 1199771511 /nfs/dbraw/zinc/77/15/11/1199771511.db2.gz NBKQOQFQXZWQLV-UHFFFAOYSA-N 2 1 338.455 2.154 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001132737471 1199965648 /nfs/dbraw/zinc/96/56/48/1199965648.db2.gz NGDNHMPZCJTTCB-INIZCTEOSA-N 2 1 346.450 2.025 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133141138 1200494477 /nfs/dbraw/zinc/49/44/77/1200494477.db2.gz AOKYGRXSYHKTHW-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000886210870 1202480709 /nfs/dbraw/zinc/48/07/09/1202480709.db2.gz DKJVNUCEOCMXKI-OAQYLSRUSA-N 2 1 325.500 2.381 20 30 EEEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])NCCC(C)C)cc2)CC1 ZINC000104166022 1204611380 /nfs/dbraw/zinc/61/13/80/1204611380.db2.gz BWURHEQRHNIJDZ-UHFFFAOYSA-N 2 1 345.535 2.275 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccc(C#N)cc1 ZINC001274892544 1205202359 /nfs/dbraw/zinc/20/23/59/1205202359.db2.gz VAQPLLAYAXIIMF-BGYRXZFFSA-N 2 1 326.488 2.201 20 30 EEEDMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2CC1 ZINC001275589725 1205433328 /nfs/dbraw/zinc/43/33/28/1205433328.db2.gz YOPLEHGHHFTLIF-IYBDPMFKSA-N 2 1 349.500 2.384 20 30 EEEDMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2CC1 ZINC001275589725 1205433330 /nfs/dbraw/zinc/43/33/30/1205433330.db2.gz YOPLEHGHHFTLIF-IYBDPMFKSA-N 2 1 349.500 2.384 20 30 EEEDMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2CC1 ZINC001275589725 1205433332 /nfs/dbraw/zinc/43/33/32/1205433332.db2.gz YOPLEHGHHFTLIF-IYBDPMFKSA-N 2 1 349.500 2.384 20 30 EEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001275708437 1205493136 /nfs/dbraw/zinc/49/31/36/1205493136.db2.gz XFWTYECNGHGZTN-PKOBYXMFSA-N 2 1 329.488 2.319 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948056883 1208847135 /nfs/dbraw/zinc/84/71/35/1208847135.db2.gz NKEPJYHPBIYIFS-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948436607 1209137372 /nfs/dbraw/zinc/13/73/72/1209137372.db2.gz XSQRFFBXKOQDNR-OALUTQOASA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948436607 1209137374 /nfs/dbraw/zinc/13/73/74/1209137374.db2.gz XSQRFFBXKOQDNR-OALUTQOASA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948436607 1209137377 /nfs/dbraw/zinc/13/73/77/1209137377.db2.gz XSQRFFBXKOQDNR-OALUTQOASA-N 2 1 333.520 2.301 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000948625704 1209259181 /nfs/dbraw/zinc/25/91/81/1209259181.db2.gz SOHMKKMYWZZDET-MRXNPFEDSA-N 2 1 330.476 2.261 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000948625704 1209259186 /nfs/dbraw/zinc/25/91/86/1209259186.db2.gz SOHMKKMYWZZDET-MRXNPFEDSA-N 2 1 330.476 2.261 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](OC)c1cccc(Cl)c1 ZINC000304771365 1216105040 /nfs/dbraw/zinc/10/50/40/1216105040.db2.gz AAQPUYDKYYLAAZ-CVEARBPZSA-N 2 1 338.883 2.416 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](OC)c1cccc(Cl)c1 ZINC000304771367 1216105465 /nfs/dbraw/zinc/10/54/65/1216105465.db2.gz AAQPUYDKYYLAAZ-HOTGVXAUSA-N 2 1 338.883 2.416 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000960269635 1216461500 /nfs/dbraw/zinc/46/15/00/1216461500.db2.gz VUNLVWGCVORCHA-YCEFEEMOSA-N 2 1 327.472 2.275 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961195410 1217081964 /nfs/dbraw/zinc/08/19/64/1217081964.db2.gz BNRCOVFGHGKZLR-ROUUACIJSA-N 2 1 336.439 2.142 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961202033 1217086514 /nfs/dbraw/zinc/08/65/14/1217086514.db2.gz PGSFFGSJSWWWIZ-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961379026 1217166030 /nfs/dbraw/zinc/16/60/30/1217166030.db2.gz PPKRQVGMDIDABP-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379026 1217166031 /nfs/dbraw/zinc/16/60/31/1217166031.db2.gz PPKRQVGMDIDABP-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379026 1217166033 /nfs/dbraw/zinc/16/60/33/1217166033.db2.gz PPKRQVGMDIDABP-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961411340 1217179927 /nfs/dbraw/zinc/17/99/27/1217179927.db2.gz LSVQDLHNSSXCKV-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961411340 1217179930 /nfs/dbraw/zinc/17/99/30/1217179930.db2.gz LSVQDLHNSSXCKV-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961411340 1217179932 /nfs/dbraw/zinc/17/99/32/1217179932.db2.gz LSVQDLHNSSXCKV-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000961434856 1217188958 /nfs/dbraw/zinc/18/89/58/1217188958.db2.gz IVKCWZHPROJDEX-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434856 1217188961 /nfs/dbraw/zinc/18/89/61/1217188961.db2.gz IVKCWZHPROJDEX-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434856 1217188963 /nfs/dbraw/zinc/18/89/63/1217188963.db2.gz IVKCWZHPROJDEX-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360169 1217554868 /nfs/dbraw/zinc/55/48/68/1217554868.db2.gz KZWRCGOXCNPPKT-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360169 1217554871 /nfs/dbraw/zinc/55/48/71/1217554871.db2.gz KZWRCGOXCNPPKT-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360169 1217554877 /nfs/dbraw/zinc/55/48/77/1217554877.db2.gz KZWRCGOXCNPPKT-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360166 1217554991 /nfs/dbraw/zinc/55/49/91/1217554991.db2.gz KZWRCGOXCNPPKT-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360166 1217554994 /nfs/dbraw/zinc/55/49/94/1217554994.db2.gz KZWRCGOXCNPPKT-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360166 1217554999 /nfs/dbraw/zinc/55/49/99/1217554999.db2.gz KZWRCGOXCNPPKT-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963381693 1217577789 /nfs/dbraw/zinc/57/77/89/1217577789.db2.gz BQDSZPIRLDEBNF-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2CC)C1 ZINC000968954247 1221699490 /nfs/dbraw/zinc/69/94/90/1221699490.db2.gz FYAIVUXYNTZOLH-UXHICEINSA-N 2 1 339.483 2.037 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2CC)C1 ZINC000968954247 1221699493 /nfs/dbraw/zinc/69/94/93/1221699493.db2.gz FYAIVUXYNTZOLH-UXHICEINSA-N 2 1 339.483 2.037 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001007518406 1222273638 /nfs/dbraw/zinc/27/36/38/1222273638.db2.gz AIRNPJSIGHEXIK-ROUUACIJSA-N 2 1 345.512 2.235 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001007649703 1222345950 /nfs/dbraw/zinc/34/59/50/1222345950.db2.gz WXPFXSBEOPORCG-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008541283 1222916306 /nfs/dbraw/zinc/91/63/06/1222916306.db2.gz QEUQQCFJAHFWSX-IBGZPJMESA-N 2 1 327.472 2.008 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008541283 1222916307 /nfs/dbraw/zinc/91/63/07/1222916307.db2.gz QEUQQCFJAHFWSX-IBGZPJMESA-N 2 1 327.472 2.008 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001009626655 1223308401 /nfs/dbraw/zinc/30/84/01/1223308401.db2.gz JVNNQBJJJFTYHR-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702019 1226796683 /nfs/dbraw/zinc/79/66/83/1226796683.db2.gz HVQLBMBSHZQOEV-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014631040 1226860651 /nfs/dbraw/zinc/86/06/51/1226860651.db2.gz OBWLQOOJMIVCRW-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001014631040 1226860659 /nfs/dbraw/zinc/86/06/59/1226860659.db2.gz OBWLQOOJMIVCRW-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001014631040 1226860662 /nfs/dbraw/zinc/86/06/62/1226860662.db2.gz OBWLQOOJMIVCRW-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001014631040 1226860669 /nfs/dbraw/zinc/86/06/69/1226860669.db2.gz OBWLQOOJMIVCRW-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001016791195 1226881077 /nfs/dbraw/zinc/88/10/77/1226881077.db2.gz LBYLDBXAQJBNNS-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001016791195 1226881080 /nfs/dbraw/zinc/88/10/80/1226881080.db2.gz LBYLDBXAQJBNNS-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016860536 1226927835 /nfs/dbraw/zinc/92/78/35/1226927835.db2.gz IQNIYCJLPZTCSC-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001020251412 1229584025 /nfs/dbraw/zinc/58/40/25/1229584025.db2.gz LQGSWDVPXALJKM-AXUOBQJMSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001020251412 1229584028 /nfs/dbraw/zinc/58/40/28/1229584028.db2.gz LQGSWDVPXALJKM-AXUOBQJMSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC2=CCCCC2)CC1 ZINC001039041304 1230257258 /nfs/dbraw/zinc/25/72/58/1230257258.db2.gz CBBHNWKDAKGUJM-LJQANCHMSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140402 1230355683 /nfs/dbraw/zinc/35/56/83/1230355683.db2.gz FYWPEXLULNCHTJ-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140402 1230355686 /nfs/dbraw/zinc/35/56/86/1230355686.db2.gz FYWPEXLULNCHTJ-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140402 1230355692 /nfs/dbraw/zinc/35/56/92/1230355692.db2.gz FYWPEXLULNCHTJ-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC001039140870 1230356289 /nfs/dbraw/zinc/35/62/89/1230356289.db2.gz YYGSGIYUHOZEQB-INIZCTEOSA-N 2 1 346.475 2.096 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC001039140870 1230356293 /nfs/dbraw/zinc/35/62/93/1230356293.db2.gz YYGSGIYUHOZEQB-INIZCTEOSA-N 2 1 346.475 2.096 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039172662 1230397671 /nfs/dbraw/zinc/39/76/71/1230397671.db2.gz AYHIIIGXKPCDDB-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172662 1230397675 /nfs/dbraw/zinc/39/76/75/1230397675.db2.gz AYHIIIGXKPCDDB-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172662 1230397678 /nfs/dbraw/zinc/39/76/78/1230397678.db2.gz AYHIIIGXKPCDDB-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039233240 1230465918 /nfs/dbraw/zinc/46/59/18/1230465918.db2.gz JJEUXDYOKCMTQZ-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039233240 1230465921 /nfs/dbraw/zinc/46/59/21/1230465921.db2.gz JJEUXDYOKCMTQZ-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039233240 1230465923 /nfs/dbraw/zinc/46/59/23/1230465923.db2.gz JJEUXDYOKCMTQZ-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001039249579 1230486187 /nfs/dbraw/zinc/48/61/87/1230486187.db2.gz CDFZPKSFDVLTPB-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001039386972 1230571366 /nfs/dbraw/zinc/57/13/66/1230571366.db2.gz MSTGQKHCVWCKHV-IXDOHACOSA-N 2 1 328.460 2.402 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001039386972 1230571368 /nfs/dbraw/zinc/57/13/68/1230571368.db2.gz MSTGQKHCVWCKHV-IXDOHACOSA-N 2 1 328.460 2.402 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC=C(C)C)CC1 ZINC001040014704 1230964331 /nfs/dbraw/zinc/96/43/31/1230964331.db2.gz RJDLBZUDHGILKY-BGYRXZFFSA-N 2 1 343.515 2.363 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040208091 1231104142 /nfs/dbraw/zinc/10/41/42/1231104142.db2.gz IYTUGBGWGAUTIL-AZUAARDMSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040492407 1231260737 /nfs/dbraw/zinc/26/07/37/1231260737.db2.gz AMQCAKUOHDUXBH-KRWDZBQOSA-N 2 1 337.895 2.149 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040492407 1231260740 /nfs/dbraw/zinc/26/07/40/1231260740.db2.gz AMQCAKUOHDUXBH-KRWDZBQOSA-N 2 1 337.895 2.149 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699937 1231339951 /nfs/dbraw/zinc/33/99/51/1231339951.db2.gz FNTDYSGROFLSJK-OALUTQOASA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001040727584 1231349625 /nfs/dbraw/zinc/34/96/25/1231349625.db2.gz UBFCOVGUVALNBB-QGZVFWFLSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847623 1231386669 /nfs/dbraw/zinc/38/66/69/1231386669.db2.gz UENCOYVBYHCLKO-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948341 1231408303 /nfs/dbraw/zinc/40/83/03/1231408303.db2.gz PBJPSUUDQGUVPU-HDICACEKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432147 1231544827 /nfs/dbraw/zinc/54/48/27/1231544827.db2.gz OLUUBBGNEZOZKZ-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432147 1231544830 /nfs/dbraw/zinc/54/48/30/1231544830.db2.gz OLUUBBGNEZOZKZ-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432147 1231544832 /nfs/dbraw/zinc/54/48/32/1231544832.db2.gz OLUUBBGNEZOZKZ-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041742795 1231670906 /nfs/dbraw/zinc/67/09/06/1231670906.db2.gz DZSVJLLRNPHIRN-OAQYLSRUSA-N 2 1 339.483 2.310 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001045073627 1233485646 /nfs/dbraw/zinc/48/56/46/1233485646.db2.gz LLVYQRSSLCLMIC-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001045073627 1233485648 /nfs/dbraw/zinc/48/56/48/1233485648.db2.gz LLVYQRSSLCLMIC-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046470554 1234840037 /nfs/dbraw/zinc/84/00/37/1234840037.db2.gz LNTDJTVHANKVFM-LJQANCHMSA-N 2 1 339.443 2.428 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001046950798 1235346260 /nfs/dbraw/zinc/34/62/60/1235346260.db2.gz LMCFAWYRZCLUJE-HOTGVXAUSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001046950798 1235346265 /nfs/dbraw/zinc/34/62/65/1235346265.db2.gz LMCFAWYRZCLUJE-HOTGVXAUSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001046950798 1235346269 /nfs/dbraw/zinc/34/62/69/1235346269.db2.gz LMCFAWYRZCLUJE-HOTGVXAUSA-N 2 1 343.462 2.366 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC=C(C)C)C3)CC1 ZINC001047209767 1235674022 /nfs/dbraw/zinc/67/40/22/1235674022.db2.gz WVFGKPLUBOGESX-SXLOBPIMSA-N 2 1 343.515 2.267 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001047243973 1235735689 /nfs/dbraw/zinc/73/56/89/1235735689.db2.gz OILOQUFJGSJRES-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263222 1235772482 /nfs/dbraw/zinc/77/24/82/1235772482.db2.gz CBLUHLNCZGKWQM-AZUAARDMSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001047264207 1235775603 /nfs/dbraw/zinc/77/56/03/1235775603.db2.gz ICWJAVVJJUDSMM-LJQANCHMSA-N 2 1 342.487 2.165 20 30 EEEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048528341 1237873466 /nfs/dbraw/zinc/87/34/66/1237873466.db2.gz VALGBVCCKMJEFM-NQNKBUKLSA-N 2 1 339.911 2.438 20 30 EEEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528341 1237873476 /nfs/dbraw/zinc/87/34/76/1237873476.db2.gz VALGBVCCKMJEFM-NQNKBUKLSA-N 2 1 339.911 2.438 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528341 1237873488 /nfs/dbraw/zinc/87/34/88/1237873488.db2.gz VALGBVCCKMJEFM-NQNKBUKLSA-N 2 1 339.911 2.438 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048538747 1237912275 /nfs/dbraw/zinc/91/22/75/1237912275.db2.gz AOEGIISYWYYNEF-FCGDIQPGSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048538747 1237912282 /nfs/dbraw/zinc/91/22/82/1237912282.db2.gz AOEGIISYWYYNEF-FCGDIQPGSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048538747 1237912289 /nfs/dbraw/zinc/91/22/89/1237912289.db2.gz AOEGIISYWYYNEF-FCGDIQPGSA-N 2 1 331.504 2.099 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001048539201 1237914286 /nfs/dbraw/zinc/91/42/86/1237914286.db2.gz KNHHUEXEUVBASU-MUJYYYPQSA-N 2 1 346.475 2.285 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001048539201 1237914293 /nfs/dbraw/zinc/91/42/93/1237914293.db2.gz KNHHUEXEUVBASU-MUJYYYPQSA-N 2 1 346.475 2.285 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001001002042 1241418720 /nfs/dbraw/zinc/41/87/20/1241418720.db2.gz OJRADPYZTBUKBJ-UHFFFAOYSA-N 2 1 339.483 2.176 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001049671736 1241834863 /nfs/dbraw/zinc/83/48/63/1241834863.db2.gz NFLQWQCHHSUGEX-YTQUADARSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001049671736 1241834879 /nfs/dbraw/zinc/83/48/79/1241834879.db2.gz NFLQWQCHHSUGEX-YTQUADARSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049826905 1242327708 /nfs/dbraw/zinc/32/77/08/1242327708.db2.gz IYSGDYGIUVKUIQ-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001049842095 1242382252 /nfs/dbraw/zinc/38/22/52/1242382252.db2.gz UXXPWBZPROKEJF-BZUAXINKSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049842095 1242382264 /nfs/dbraw/zinc/38/22/64/1242382264.db2.gz UXXPWBZPROKEJF-BZUAXINKSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049842095 1242382278 /nfs/dbraw/zinc/38/22/78/1242382278.db2.gz UXXPWBZPROKEJF-BZUAXINKSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049842095 1242382288 /nfs/dbraw/zinc/38/22/88/1242382288.db2.gz UXXPWBZPROKEJF-BZUAXINKSA-N 2 1 325.884 2.146 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001073667490 1242624861 /nfs/dbraw/zinc/62/48/61/1242624861.db2.gz HSXIGENAJIHDLT-KRWDZBQOSA-N 2 1 342.443 2.040 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431189 1245814353 /nfs/dbraw/zinc/81/43/53/1245814353.db2.gz CDJYNLYYOQURAH-SCTDSRPQSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@H+](CC)C2)CC1 ZINC001053106958 1245923845 /nfs/dbraw/zinc/92/38/45/1245923845.db2.gz XYPJDRDVOPMNOD-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001054146788 1247524434 /nfs/dbraw/zinc/52/44/34/1247524434.db2.gz IPBFVYXEUUWVSB-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054146788 1247524443 /nfs/dbraw/zinc/52/44/43/1247524443.db2.gz IPBFVYXEUUWVSB-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054146788 1247524449 /nfs/dbraw/zinc/52/44/49/1247524449.db2.gz IPBFVYXEUUWVSB-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209729 1247725684 /nfs/dbraw/zinc/72/56/84/1247725684.db2.gz WKZUGDGJKOYBPE-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209729 1247725694 /nfs/dbraw/zinc/72/56/94/1247725694.db2.gz WKZUGDGJKOYBPE-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209729 1247725698 /nfs/dbraw/zinc/72/56/98/1247725698.db2.gz WKZUGDGJKOYBPE-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054240926 1247838516 /nfs/dbraw/zinc/83/85/16/1247838516.db2.gz GFIUOCINGMWAEC-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054240926 1247838534 /nfs/dbraw/zinc/83/85/34/1247838534.db2.gz GFIUOCINGMWAEC-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071828681 1254690307 /nfs/dbraw/zinc/69/03/07/1254690307.db2.gz SIBQXQDAZMSEKQ-XLIONFOSSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099317753 1258079184 /nfs/dbraw/zinc/07/91/84/1258079184.db2.gz ODASEMACJANBKF-KFWWJZLASA-N 2 1 347.425 2.414 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099353626 1258095872 /nfs/dbraw/zinc/09/58/72/1258095872.db2.gz DQFZFTMZXWYLER-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001099554452 1258203337 /nfs/dbraw/zinc/20/33/37/1258203337.db2.gz YZTYVGVOIUGDEG-MANSERQUSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001099554452 1258203339 /nfs/dbraw/zinc/20/33/39/1258203339.db2.gz YZTYVGVOIUGDEG-MANSERQUSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185780271 1278779228 /nfs/dbraw/zinc/77/92/28/1278779228.db2.gz UWWWWGVBFGLPND-MJGOQNOKSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185780271 1278779238 /nfs/dbraw/zinc/77/92/38/1278779238.db2.gz UWWWWGVBFGLPND-MJGOQNOKSA-N 2 1 329.488 2.379 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773977 1278019451 /nfs/dbraw/zinc/01/94/51/1278019451.db2.gz SNZZBWJNYXVSFY-CHWSQXEVSA-N 2 1 348.329 2.498 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916667 1282235095 /nfs/dbraw/zinc/23/50/95/1282235095.db2.gz BKDITQFOHWNETK-ROUUACIJSA-N 2 1 339.524 2.088 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001193601114 1282630427 /nfs/dbraw/zinc/63/04/27/1282630427.db2.gz SIGSJUPFOIERGD-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001193601114 1282630437 /nfs/dbraw/zinc/63/04/37/1282630437.db2.gz SIGSJUPFOIERGD-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001193601114 1282630445 /nfs/dbraw/zinc/63/04/45/1282630445.db2.gz SIGSJUPFOIERGD-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275281 1282949954 /nfs/dbraw/zinc/94/99/54/1282949954.db2.gz QVMWSBZGEQUZES-RTBURBONSA-N 2 1 345.487 2.025 20 30 EEEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275281 1282949956 /nfs/dbraw/zinc/94/99/56/1282949956.db2.gz QVMWSBZGEQUZES-RTBURBONSA-N 2 1 345.487 2.025 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)C1 ZINC001194285130 1282980032 /nfs/dbraw/zinc/98/00/32/1282980032.db2.gz PYHVJFSEXRWZHR-IBGZPJMESA-N 2 1 345.462 2.050 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001194285130 1282980036 /nfs/dbraw/zinc/98/00/36/1282980036.db2.gz PYHVJFSEXRWZHR-IBGZPJMESA-N 2 1 345.462 2.050 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001194285130 1282980039 /nfs/dbraw/zinc/98/00/39/1282980039.db2.gz PYHVJFSEXRWZHR-IBGZPJMESA-N 2 1 345.462 2.050 20 30 EEEDMP C[NH+](C)CCC[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCCC#N)C2=O ZINC001273712152 1283904568 /nfs/dbraw/zinc/90/45/68/1283904568.db2.gz PYBGTIJPSXJMDX-HXUWFJFHSA-N 2 1 340.471 2.232 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392262 1284955485 /nfs/dbraw/zinc/95/54/85/1284955485.db2.gz KJSGKCLGMBFXSY-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152392262 1284955488 /nfs/dbraw/zinc/95/54/88/1284955488.db2.gz KJSGKCLGMBFXSY-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152392262 1284955491 /nfs/dbraw/zinc/95/54/91/1284955491.db2.gz KJSGKCLGMBFXSY-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1OC ZINC001198902095 1285402625 /nfs/dbraw/zinc/40/26/25/1285402625.db2.gz DOMYQPBKUGTUSM-SJLPKXTDSA-N 2 1 345.487 2.360 20 30 EEEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000105450852 1286395459 /nfs/dbraw/zinc/39/54/59/1286395459.db2.gz HMVRTCYOZUXMDM-KRWDZBQOSA-N 2 1 344.503 2.341 20 30 EEEDMP C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852102534 1291993915 /nfs/dbraw/zinc/99/39/15/1291993915.db2.gz YUSFHQRABTWOPC-XKGZKEIXSA-N 2 1 327.472 2.157 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746919 1294131387 /nfs/dbraw/zinc/13/13/87/1294131387.db2.gz GXYUDLCXKASEFP-KURKYZTESA-N 2 1 328.460 2.206 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC(C)C)C2)CC1 ZINC001072095700 1295237323 /nfs/dbraw/zinc/23/73/23/1295237323.db2.gz MXGQQJYSDQLOKS-IEBWSBKVSA-N 2 1 333.520 2.347 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000402216866 1296926992 /nfs/dbraw/zinc/92/69/92/1296926992.db2.gz OXFLBCCPVFANIR-LJQANCHMSA-N 2 1 339.439 2.149 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099353859 1299076712 /nfs/dbraw/zinc/07/67/12/1299076712.db2.gz HSANMADTYKWVLD-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(CN(C)C)on3)C[C@@H]21 ZINC001223040354 1299961516 /nfs/dbraw/zinc/96/15/16/1299961516.db2.gz UVIUZGSYBSPMDC-QAPCUYQASA-N 2 1 346.475 2.239 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001223040354 1299961520 /nfs/dbraw/zinc/96/15/20/1299961520.db2.gz UVIUZGSYBSPMDC-QAPCUYQASA-N 2 1 346.475 2.239 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001223040354 1299961523 /nfs/dbraw/zinc/96/15/23/1299961523.db2.gz UVIUZGSYBSPMDC-QAPCUYQASA-N 2 1 346.475 2.239 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306991 1300539555 /nfs/dbraw/zinc/53/95/55/1300539555.db2.gz RTJDJISCFLWEES-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306991 1300539563 /nfs/dbraw/zinc/53/95/63/1300539563.db2.gz RTJDJISCFLWEES-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306991 1300539570 /nfs/dbraw/zinc/53/95/70/1300539570.db2.gz RTJDJISCFLWEES-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306991 1300539577 /nfs/dbraw/zinc/53/95/77/1300539577.db2.gz RTJDJISCFLWEES-UXHICEINSA-N 2 1 339.483 2.065 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225525072 1301037602 /nfs/dbraw/zinc/03/76/02/1301037602.db2.gz LAOKNVQTHDFJHZ-KZNAEPCWSA-N 2 1 339.524 2.304 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225525072 1301037615 /nfs/dbraw/zinc/03/76/15/1301037615.db2.gz LAOKNVQTHDFJHZ-KZNAEPCWSA-N 2 1 339.524 2.304 20 30 EEEDMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC#CC[NH+](C)C ZINC001226903834 1301603035 /nfs/dbraw/zinc/60/30/35/1301603035.db2.gz YTZHEGMNXTTYOF-IBGZPJMESA-N 2 1 344.503 2.007 20 30 EEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001227454008 1301835051 /nfs/dbraw/zinc/83/50/51/1301835051.db2.gz LPCJXYKLEHLFNI-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP CC[C@H](C(=O)N1CCC([N@@H+](C)CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001277411300 1302919470 /nfs/dbraw/zinc/91/94/70/1302919470.db2.gz JXPSEJFJHMQHBT-HXUWFJFHSA-N 2 1 341.499 2.301 20 30 EEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001230307396 1303152558 /nfs/dbraw/zinc/15/25/58/1303152558.db2.gz WICFCLJLLKHIPN-GOSISDBHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001230307396 1303152565 /nfs/dbraw/zinc/15/25/65/1303152565.db2.gz WICFCLJLLKHIPN-GOSISDBHSA-N 2 1 337.508 2.034 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001230374482 1303183015 /nfs/dbraw/zinc/18/30/15/1303183015.db2.gz ZFEKHCJNVJOOGV-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001230374482 1303183019 /nfs/dbraw/zinc/18/30/19/1303183019.db2.gz ZFEKHCJNVJOOGV-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001103773733 1303317971 /nfs/dbraw/zinc/31/79/71/1303317971.db2.gz OPPZTBMJMHSAOT-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001103773733 1303317978 /nfs/dbraw/zinc/31/79/78/1303317978.db2.gz OPPZTBMJMHSAOT-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001103773733 1303317987 /nfs/dbraw/zinc/31/79/87/1303317987.db2.gz OPPZTBMJMHSAOT-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001103773733 1303317993 /nfs/dbraw/zinc/31/79/93/1303317993.db2.gz OPPZTBMJMHSAOT-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115307155 1304920753 /nfs/dbraw/zinc/92/07/53/1304920753.db2.gz ZPJKALBDZMVIFH-YDZRNGNQSA-N 2 1 327.472 2.302 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115307155 1304920757 /nfs/dbraw/zinc/92/07/57/1304920757.db2.gz ZPJKALBDZMVIFH-YDZRNGNQSA-N 2 1 327.472 2.302 20 30 EEEDMP C(#Cc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1)c1ccccc1 ZINC001234979168 1305070278 /nfs/dbraw/zinc/07/02/78/1305070278.db2.gz CCACIBGUQFFPSN-JOCHJYFZSA-N 2 1 331.463 2.224 20 30 EEEDMP C(=[NH+]NCCC[NH+]1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000799488405 1305278759 /nfs/dbraw/zinc/27/87/59/1305278759.db2.gz QXIHGBCICAXQND-UHFFFAOYSA-N 2 1 330.476 2.323 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001235587481 1305290133 /nfs/dbraw/zinc/29/01/33/1305290133.db2.gz DIEAHVHBKUPOPL-MOPGFXCFSA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001235587481 1305290137 /nfs/dbraw/zinc/29/01/37/1305290137.db2.gz DIEAHVHBKUPOPL-MOPGFXCFSA-N 2 1 342.487 2.177 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573090 1305396605 /nfs/dbraw/zinc/39/66/05/1305396605.db2.gz HMTRXKRYSZZURX-INIZCTEOSA-N 2 1 328.460 2.193 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC001237754682 1306079464 /nfs/dbraw/zinc/07/94/64/1306079464.db2.gz ZCIGAGCYSYJILG-UHFFFAOYSA-N 2 1 341.499 2.413 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448715 1309546318 /nfs/dbraw/zinc/54/63/18/1309546318.db2.gz DXIUSZMLEUAAMT-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246023543 1310212749 /nfs/dbraw/zinc/21/27/49/1310212749.db2.gz CVMVQXPJGVJPDF-QRVBRYPASA-N 2 1 326.525 2.392 20 30 EEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001139705776 1314762643 /nfs/dbraw/zinc/76/26/43/1314762643.db2.gz ZWUOOKJTMMMUPB-RBUKOAKNSA-N 2 1 337.471 2.250 20 30 EEEDMP C=C[C@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001253576720 1317885385 /nfs/dbraw/zinc/88/53/85/1317885385.db2.gz HEMUMNSFFDYSPK-MOPGFXCFSA-N 2 1 330.472 2.289 20 30 EEEDMP CC[C@H](CC#N)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001255171800 1318311845 /nfs/dbraw/zinc/31/18/45/1318311845.db2.gz BCOSZAJNGMUYPU-GUDVDZBRSA-N 2 1 328.460 2.297 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155464 1320086105 /nfs/dbraw/zinc/08/61/05/1320086105.db2.gz GPFPUUKHTPXYEC-LJQANCHMSA-N 2 1 331.504 2.433 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161937712 1320684188 /nfs/dbraw/zinc/68/41/88/1320684188.db2.gz FNIBTMIOHDPBAD-UHFFFAOYSA-N 2 1 349.519 2.203 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCCC)CC2)CC1 ZINC001161946893 1320689840 /nfs/dbraw/zinc/68/98/40/1320689840.db2.gz KWNKFEMSWKVPLS-UHFFFAOYSA-N 2 1 331.504 2.270 20 30 EEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)(COC)CC1 ZINC001162618037 1320913459 /nfs/dbraw/zinc/91/34/59/1320913459.db2.gz UFHBVKZDPRFYFP-UHFFFAOYSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001162816705 1320966816 /nfs/dbraw/zinc/96/68/16/1320966816.db2.gz CDYOZAYELWPGRI-IEBWSBKVSA-N 2 1 329.488 2.174 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001162826510 1320969178 /nfs/dbraw/zinc/96/91/78/1320969178.db2.gz FRIDLNUJSHTCAC-HXUWFJFHSA-N 2 1 341.499 2.155 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001162982838 1321004594 /nfs/dbraw/zinc/00/45/94/1321004594.db2.gz REHBWHUGWXLXPB-FQEVSTJZSA-N 2 1 341.499 2.012 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1 ZINC001165546230 1321543871 /nfs/dbraw/zinc/54/38/71/1321543871.db2.gz ZKLKYRNGKGNYDO-KRWDZBQOSA-N 2 1 345.512 2.222 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1 ZINC001165546230 1321543875 /nfs/dbraw/zinc/54/38/75/1321543875.db2.gz ZKLKYRNGKGNYDO-KRWDZBQOSA-N 2 1 345.512 2.222 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001166736954 1321778382 /nfs/dbraw/zinc/77/83/82/1321778382.db2.gz XELJIOWCGPIBCI-HNNXBMFYSA-N 2 1 334.464 2.335 20 30 EEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001166876251 1321807698 /nfs/dbraw/zinc/80/76/98/1321807698.db2.gz QNWKLABXFCDCPP-INIZCTEOSA-N 2 1 330.476 2.206 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C12CCC2 ZINC001203492686 1321895249 /nfs/dbraw/zinc/89/52/49/1321895249.db2.gz NJOQOAGNZZZNJG-ZWKOTPCHSA-N 2 1 349.519 2.082 20 30 EEEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206547999 1323529842 /nfs/dbraw/zinc/52/98/42/1323529842.db2.gz MIKXEEMQEWDUHY-RBUKOAKNSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107319 1324319415 /nfs/dbraw/zinc/31/94/15/1324319415.db2.gz REKPFBDCMZDUFE-QGZVFWFLSA-N 2 1 332.492 2.254 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001208453789 1324505577 /nfs/dbraw/zinc/50/55/77/1324505577.db2.gz OBTALNYCZYROMY-LJQANCHMSA-N 2 1 341.499 2.349 20 30 EEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208467637 1324512835 /nfs/dbraw/zinc/51/28/35/1324512835.db2.gz RFIRCBKFSQQVES-HUUCEWRRSA-N 2 1 334.464 2.285 20 30 EEEDMP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427598 1325282461 /nfs/dbraw/zinc/28/24/61/1325282461.db2.gz XTJZQEXXEZRKMS-UYAOXDASSA-N 2 1 341.499 2.207 20 30 EEEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427598 1325282468 /nfs/dbraw/zinc/28/24/68/1325282468.db2.gz XTJZQEXXEZRKMS-UYAOXDASSA-N 2 1 341.499 2.207 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071939138 1370583337 /nfs/dbraw/zinc/58/33/37/1370583337.db2.gz QNRFSYZJMSYRCJ-NVXWUHKLSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071939138 1370583340 /nfs/dbraw/zinc/58/33/40/1370583340.db2.gz QNRFSYZJMSYRCJ-NVXWUHKLSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100679893 1373118650 /nfs/dbraw/zinc/11/86/50/1373118650.db2.gz UMDFXSVITGMZOX-JTTJXQCZSA-N 2 1 325.472 2.259 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001367239053 1374141139 /nfs/dbraw/zinc/14/11/39/1374141139.db2.gz DNMAFUICRBLGQK-PBHICJAKSA-N 2 1 348.516 2.334 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)cc1 ZINC001367518841 1374193399 /nfs/dbraw/zinc/19/33/99/1374193399.db2.gz OLHWNMFNYMYJJE-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001367518841 1374193400 /nfs/dbraw/zinc/19/34/00/1374193400.db2.gz OLHWNMFNYMYJJE-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001367518841 1374193402 /nfs/dbraw/zinc/19/34/02/1374193402.db2.gz OLHWNMFNYMYJJE-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C[N@@H+](CC(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C1CC1)C1CCC1 ZINC001367904207 1374303256 /nfs/dbraw/zinc/30/32/56/1374303256.db2.gz SLTCSXRCSHDBPY-LJQANCHMSA-N 2 1 340.471 2.027 20 30 EEEDMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001390055135 1388421572 /nfs/dbraw/zinc/42/15/72/1388421572.db2.gz DJMNDYCNKJQHBY-PBHICJAKSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001390160145 1388471203 /nfs/dbraw/zinc/47/12/03/1388471203.db2.gz TYDCPKSYWTUZBO-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001390160145 1388471208 /nfs/dbraw/zinc/47/12/08/1388471208.db2.gz TYDCPKSYWTUZBO-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001390160145 1388471210 /nfs/dbraw/zinc/47/12/10/1388471210.db2.gz TYDCPKSYWTUZBO-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC001390160145 1388471214 /nfs/dbraw/zinc/47/12/14/1388471214.db2.gz TYDCPKSYWTUZBO-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(C#N)c1)C1CCC1 ZINC001377399243 1379207040 /nfs/dbraw/zinc/20/70/40/1379207040.db2.gz BELWUMYBSGKSTM-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1)C1CCC1 ZINC001377399243 1379207041 /nfs/dbraw/zinc/20/70/41/1379207041.db2.gz BELWUMYBSGKSTM-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1)C1CCC1 ZINC001377399243 1379207042 /nfs/dbraw/zinc/20/70/42/1379207042.db2.gz BELWUMYBSGKSTM-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+]1Cc1cccc(C#N)c1)C1CCC1 ZINC001377399248 1379207239 /nfs/dbraw/zinc/20/72/39/1379207239.db2.gz BELWUMYBSGKSTM-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1)C1CCC1 ZINC001377399248 1379207241 /nfs/dbraw/zinc/20/72/41/1379207241.db2.gz BELWUMYBSGKSTM-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1)C1CCC1 ZINC001377399248 1379207244 /nfs/dbraw/zinc/20/72/44/1379207244.db2.gz BELWUMYBSGKSTM-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001377488494 1379288159 /nfs/dbraw/zinc/28/81/59/1379288159.db2.gz JTMHENHVDSDMET-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC001377488494 1379288162 /nfs/dbraw/zinc/28/81/62/1379288162.db2.gz JTMHENHVDSDMET-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC001377488494 1379288164 /nfs/dbraw/zinc/28/81/64/1379288164.db2.gz JTMHENHVDSDMET-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001393607129 1390491780 /nfs/dbraw/zinc/49/17/80/1390491780.db2.gz RUYNJHBWEUPJJN-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001393607129 1390491781 /nfs/dbraw/zinc/49/17/81/1390491781.db2.gz RUYNJHBWEUPJJN-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001393607129 1390491784 /nfs/dbraw/zinc/49/17/84/1390491784.db2.gz RUYNJHBWEUPJJN-OAHLLOKOSA-N 2 1 348.516 2.432 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1)C1CCC1 ZINC001398404329 1392468597 /nfs/dbraw/zinc/46/85/97/1392468597.db2.gz KPTSWZOCHMCKPV-IBGZPJMESA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001752943650 1406569478 /nfs/dbraw/zinc/56/94/78/1406569478.db2.gz OHTOZIVHBJMKSC-LSDHHAIUSA-N 2 1 334.464 2.143 20 30 EEEDMP CC[C@H](C(=O)NCC[N@H+](C)CC#Cc1ccccc1)[NH+](CC)CC ZINC001753064093 1406657337 /nfs/dbraw/zinc/65/73/37/1406657337.db2.gz KDBQATQVIDQNMV-LJQANCHMSA-N 2 1 329.488 2.207 20 30 EEEDMP CC[C@H](C(=O)NCC[N@@H+](C)CC#Cc1ccccc1)[NH+](CC)CC ZINC001753064093 1406657342 /nfs/dbraw/zinc/65/73/42/1406657342.db2.gz KDBQATQVIDQNMV-LJQANCHMSA-N 2 1 329.488 2.207 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001399723711 1395442464 /nfs/dbraw/zinc/44/24/64/1395442464.db2.gz NHJKGXDUXPHCKS-SFHVURJKSA-N 2 1 330.476 2.083 20 30 EEEDMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001755383747 1407390552 /nfs/dbraw/zinc/39/05/52/1407390552.db2.gz XWVHVJIIJPFRPB-GOEBONIOSA-N 2 1 330.476 2.157 20 30 EEEDMP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001755506914 1407554304 /nfs/dbraw/zinc/55/43/04/1407554304.db2.gz MEFYZVHNNDBMPW-UYAOXDASSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001111935477 1410869481 /nfs/dbraw/zinc/86/94/81/1410869481.db2.gz OIOGBPSOQZUJQQ-ICSRJNTNSA-N 2 1 333.520 2.493 20 30 EEEDMP CC(C)[N@H+](C)Cc1nn(-c2nccc(Cl)c2C#N)c2c1CC[NH2+]C2 ZINC001164682468 719613426 /nfs/dbraw/zinc/61/34/26/719613426.db2.gz DHRSYEILJNMPBN-UHFFFAOYSA-N 2 1 344.850 2.278 20 30 EEEDMP CC(C)[N@@H+](C)Cc1nn(-c2nccc(Cl)c2C#N)c2c1CC[NH2+]C2 ZINC001164682468 719613431 /nfs/dbraw/zinc/61/34/31/719613431.db2.gz DHRSYEILJNMPBN-UHFFFAOYSA-N 2 1 344.850 2.278 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942444863 782442048 /nfs/dbraw/zinc/44/20/48/782442048.db2.gz QRNJBCIALURAFS-NVXWUHKLSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942444867 782442407 /nfs/dbraw/zinc/44/24/07/782442407.db2.gz QRNJBCIALURAFS-WBVHZDCISA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[NH2+]CC1(CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001167550346 760298818 /nfs/dbraw/zinc/29/88/18/760298818.db2.gz WFMYDGKDJVJMNP-UHFFFAOYSA-N 2 1 339.443 2.333 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520636 782610227 /nfs/dbraw/zinc/61/02/27/782610227.db2.gz IVJPGUOSXYLEMM-JKSUJKDBSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520636 782610232 /nfs/dbraw/zinc/61/02/32/782610232.db2.gz IVJPGUOSXYLEMM-JKSUJKDBSA-N 2 1 330.476 2.165 20 30 EEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089473061 769617406 /nfs/dbraw/zinc/61/74/06/769617406.db2.gz QSMKNSLHIILPLL-ZWKOTPCHSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473061 769617414 /nfs/dbraw/zinc/61/74/14/769617414.db2.gz QSMKNSLHIILPLL-ZWKOTPCHSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089473061 769617421 /nfs/dbraw/zinc/61/74/21/769617421.db2.gz QSMKNSLHIILPLL-ZWKOTPCHSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099340048 769639600 /nfs/dbraw/zinc/63/96/00/769639600.db2.gz OGAIJINASFJEFF-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563711 770399802 /nfs/dbraw/zinc/39/98/02/770399802.db2.gz SCZCPMRLNYHYBP-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107313 782921785 /nfs/dbraw/zinc/92/17/85/782921785.db2.gz RFFOUVYRBYXBIE-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107313 782921788 /nfs/dbraw/zinc/92/17/88/782921788.db2.gz RFFOUVYRBYXBIE-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107313 782921793 /nfs/dbraw/zinc/92/17/93/782921793.db2.gz RFFOUVYRBYXBIE-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980167634 773993626 /nfs/dbraw/zinc/99/36/26/773993626.db2.gz FLKHOGPBVKXJDG-RCCFBDPRSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C/C=C/Cl)CC1 ZINC000997624693 790469268 /nfs/dbraw/zinc/46/92/68/790469268.db2.gz XIEIFSZEXSCFLD-MUMZPTDHSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C/C=C/Cl)CC1 ZINC000997624693 790469275 /nfs/dbraw/zinc/46/92/75/790469275.db2.gz XIEIFSZEXSCFLD-MUMZPTDHSA-N 2 1 337.895 2.053 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000981385708 777280002 /nfs/dbraw/zinc/28/00/02/777280002.db2.gz XXOLOHSKDVKPAI-IBGZPJMESA-N 2 1 342.487 2.179 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000981385708 777280008 /nfs/dbraw/zinc/28/00/08/777280008.db2.gz XXOLOHSKDVKPAI-IBGZPJMESA-N 2 1 342.487 2.179 20 30 EEEDMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000981420077 777359427 /nfs/dbraw/zinc/35/94/27/777359427.db2.gz AFRUQZVLHUJGFW-CVEARBPZSA-N 2 1 325.416 2.084 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767124 778165083 /nfs/dbraw/zinc/16/50/83/778165083.db2.gz JDSGBKNJLWGUBK-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981767124 778165085 /nfs/dbraw/zinc/16/50/85/778165085.db2.gz JDSGBKNJLWGUBK-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767124 778165087 /nfs/dbraw/zinc/16/50/87/778165087.db2.gz JDSGBKNJLWGUBK-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000982071659 779056001 /nfs/dbraw/zinc/05/60/01/779056001.db2.gz PACNGFBONPAWOE-UHFFFAOYSA-N 2 1 339.483 2.310 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](C/C=C\Cl)C3)CC1 ZINC000982162158 779180772 /nfs/dbraw/zinc/18/07/72/779180772.db2.gz LCHRUQUZQKJXJZ-YWEYNIOJSA-N 2 1 349.906 2.009 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982299145 779625664 /nfs/dbraw/zinc/62/56/64/779625664.db2.gz XRZHUZQZHQXXFT-SESVDKBCSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982299145 779625668 /nfs/dbraw/zinc/62/56/68/779625668.db2.gz XRZHUZQZHQXXFT-SESVDKBCSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC3CCC3)C[C@]2(C)C1 ZINC000982299145 779625673 /nfs/dbraw/zinc/62/56/73/779625673.db2.gz XRZHUZQZHQXXFT-SESVDKBCSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC3CCC3)C[C@]2(C)C1 ZINC000982299145 779625680 /nfs/dbraw/zinc/62/56/80/779625680.db2.gz XRZHUZQZHQXXFT-SESVDKBCSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982305955 779655849 /nfs/dbraw/zinc/65/58/49/779655849.db2.gz BINWZNCYQGANBK-LFGUQSLTSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982305955 779655854 /nfs/dbraw/zinc/65/58/54/779655854.db2.gz BINWZNCYQGANBK-LFGUQSLTSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982305955 779655857 /nfs/dbraw/zinc/65/58/57/779655857.db2.gz BINWZNCYQGANBK-LFGUQSLTSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087463149 780965866 /nfs/dbraw/zinc/96/58/66/780965866.db2.gz UIVMORBHNDPTFX-QRVBRYPASA-N 2 1 345.462 2.380 20 30 EEEDMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001035102577 783731359 /nfs/dbraw/zinc/73/13/59/783731359.db2.gz OONCTEGHFDOBPY-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135858087 784641228 /nfs/dbraw/zinc/64/12/28/784641228.db2.gz SGFWSEGWPBMIGM-DLBZAZTESA-N 2 1 347.478 2.392 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135882298 784668072 /nfs/dbraw/zinc/66/80/72/784668072.db2.gz KHPYJBOSJGMGBZ-HZPDHXFCSA-N 2 1 330.476 2.273 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565162 805687650 /nfs/dbraw/zinc/68/76/50/805687650.db2.gz CTABMMRFMAQPGB-SQNIBIBYSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000846132136 790060274 /nfs/dbraw/zinc/06/02/74/790060274.db2.gz UYLAFQTXKBRJMH-WMZOPIPTSA-N 2 1 347.890 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000846132136 790060278 /nfs/dbraw/zinc/06/02/78/790060278.db2.gz UYLAFQTXKBRJMH-WMZOPIPTSA-N 2 1 347.890 2.199 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccncc3)c2)[C@H]1C ZINC001088945172 791686922 /nfs/dbraw/zinc/68/69/22/791686922.db2.gz UAJRMGUUOXNXIF-PBHICJAKSA-N 2 1 325.416 2.036 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001088945172 791686931 /nfs/dbraw/zinc/68/69/31/791686931.db2.gz UAJRMGUUOXNXIF-PBHICJAKSA-N 2 1 325.416 2.036 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001088945172 791686934 /nfs/dbraw/zinc/68/69/34/791686934.db2.gz UAJRMGUUOXNXIF-PBHICJAKSA-N 2 1 325.416 2.036 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC000998044358 791880390 /nfs/dbraw/zinc/88/03/90/791880390.db2.gz GQFGWHISBYSEJT-ZWKOTPCHSA-N 2 1 342.487 2.172 20 30 EEEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147899508 792049417 /nfs/dbraw/zinc/04/94/17/792049417.db2.gz ZTOWMDUCWXJGJG-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147899508 792049431 /nfs/dbraw/zinc/04/94/31/792049431.db2.gz ZTOWMDUCWXJGJG-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC/C=C/CC)C3)CC1 ZINC001148827996 792703589 /nfs/dbraw/zinc/70/35/89/792703589.db2.gz VXYJBVWEEDSSMT-AATRIKPKSA-N 2 1 343.515 2.222 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921378 792985884 /nfs/dbraw/zinc/98/58/84/792985884.db2.gz NYIBGVAQSHHNKV-MSOLQXFVSA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001086957617 793101426 /nfs/dbraw/zinc/10/14/26/793101426.db2.gz SBPZKNXELSMVHM-INIZCTEOSA-N 2 1 330.476 2.471 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)s1 ZINC001109928003 806226912 /nfs/dbraw/zinc/22/69/12/806226912.db2.gz CBAMBZLZGRMOCE-COXVUDFISA-N 2 1 346.500 2.183 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001109928003 806226918 /nfs/dbraw/zinc/22/69/18/806226918.db2.gz CBAMBZLZGRMOCE-COXVUDFISA-N 2 1 346.500 2.183 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001109928003 806226925 /nfs/dbraw/zinc/22/69/25/806226925.db2.gz CBAMBZLZGRMOCE-COXVUDFISA-N 2 1 346.500 2.183 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001109928003 806226937 /nfs/dbraw/zinc/22/69/37/806226937.db2.gz CBAMBZLZGRMOCE-COXVUDFISA-N 2 1 346.500 2.183 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001109928003 806226945 /nfs/dbraw/zinc/22/69/45/806226945.db2.gz CBAMBZLZGRMOCE-COXVUDFISA-N 2 1 346.500 2.183 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992265044 793443832 /nfs/dbraw/zinc/44/38/32/793443832.db2.gz WPCVXPIVZGUXGF-LPHOPBHVSA-N 2 1 328.460 2.143 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992265044 793443837 /nfs/dbraw/zinc/44/38/37/793443837.db2.gz WPCVXPIVZGUXGF-LPHOPBHVSA-N 2 1 328.460 2.143 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992316028 793642096 /nfs/dbraw/zinc/64/20/96/793642096.db2.gz LSCCSBCTEABLPB-CTNGQTDRSA-N 2 1 339.483 2.498 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992400448 793964705 /nfs/dbraw/zinc/96/47/05/793964705.db2.gz DQLCHFIMNDAPSW-UYAOXDASSA-N 2 1 331.504 2.408 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992409716 793995122 /nfs/dbraw/zinc/99/51/22/793995122.db2.gz UDKAKDBSIXEMON-CTNGQTDRSA-N 2 1 343.515 2.245 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001112540317 794136749 /nfs/dbraw/zinc/13/67/49/794136749.db2.gz PVOVFLGDPHIHSZ-ZVDOUQERSA-N 2 1 345.531 2.491 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000999366396 794368085 /nfs/dbraw/zinc/36/80/85/794368085.db2.gz XZYCGUSFWJVAFH-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000999391307 794404026 /nfs/dbraw/zinc/40/40/26/794404026.db2.gz KDVJMGMJBAKYRZ-MOPGFXCFSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000999391307 794404033 /nfs/dbraw/zinc/40/40/33/794404033.db2.gz KDVJMGMJBAKYRZ-MOPGFXCFSA-N 2 1 343.515 2.245 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079174802 794410251 /nfs/dbraw/zinc/41/02/51/794410251.db2.gz IBPHSQZNZFVCPV-OTWHNJEPSA-N 2 1 345.462 2.380 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001093360734 795087222 /nfs/dbraw/zinc/08/72/22/795087222.db2.gz FGPAKTWWYYMBLY-RBUKOAKNSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093360734 795087229 /nfs/dbraw/zinc/08/72/29/795087229.db2.gz FGPAKTWWYYMBLY-RBUKOAKNSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093360734 795087236 /nfs/dbraw/zinc/08/72/36/795087236.db2.gz FGPAKTWWYYMBLY-RBUKOAKNSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001093378457 795114975 /nfs/dbraw/zinc/11/49/75/795114975.db2.gz OHWOZWXSAYJZET-YLJYHZDGSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001093378457 795114980 /nfs/dbraw/zinc/11/49/80/795114980.db2.gz OHWOZWXSAYJZET-YLJYHZDGSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001093378457 795114985 /nfs/dbraw/zinc/11/49/85/795114985.db2.gz OHWOZWXSAYJZET-YLJYHZDGSA-N 2 1 343.515 2.197 20 30 EEEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CCO2 ZINC001093404158 795141062 /nfs/dbraw/zinc/14/10/62/795141062.db2.gz SRXHLCKVYFRBPJ-VWYCLODISA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001079735675 795151066 /nfs/dbraw/zinc/15/10/66/795151066.db2.gz AUGKOOBDDSPPAE-ZTFGCOKTSA-N 2 1 345.491 2.193 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820038 795287469 /nfs/dbraw/zinc/28/74/69/795287469.db2.gz BPRRWMBKSUHBFJ-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820038 795287477 /nfs/dbraw/zinc/28/74/77/795287477.db2.gz BPRRWMBKSUHBFJ-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001089947792 795311323 /nfs/dbraw/zinc/31/13/23/795311323.db2.gz OEFGRISVLKRQJF-QGZVFWFLSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001093546309 795360139 /nfs/dbraw/zinc/36/01/39/795360139.db2.gz KMKRCNNRAVEBMZ-LJQANCHMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842386 795425436 /nfs/dbraw/zinc/42/54/36/795425436.db2.gz OHIDPLZBSFSVIA-RTBURBONSA-N 2 1 327.472 2.471 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=C)C)CC3)CC1 ZINC001094581400 796421777 /nfs/dbraw/zinc/42/17/77/796421777.db2.gz AQVCMAHEXKFGSZ-TZIWHRDSSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@@H]21 ZINC001036905710 796450482 /nfs/dbraw/zinc/45/04/82/796450482.db2.gz OBZBLDDDRAJNEB-WMZOPIPTSA-N 2 1 343.471 2.291 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@@H]21 ZINC001036905707 796450704 /nfs/dbraw/zinc/45/07/04/796450704.db2.gz OBZBLDDDRAJNEB-AEFFLSMTSA-N 2 1 343.471 2.291 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001081179681 796678976 /nfs/dbraw/zinc/67/89/76/796678976.db2.gz FCPHLVZMBNEWSF-YTQUADARSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172100261 796872015 /nfs/dbraw/zinc/87/20/15/796872015.db2.gz CMDKNUNOXVRDPG-CADBVGFASA-N 2 1 341.499 2.497 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172100261 796872018 /nfs/dbraw/zinc/87/20/18/796872018.db2.gz CMDKNUNOXVRDPG-CADBVGFASA-N 2 1 341.499 2.497 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C12CCC2 ZINC001078760759 796984481 /nfs/dbraw/zinc/98/44/81/796984481.db2.gz AAFYDQPHXONECM-DLBZAZTESA-N 2 1 337.427 2.084 20 30 EEEDMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(CC#N)CC3)CC[C@@H]21 ZINC001173335162 797363842 /nfs/dbraw/zinc/36/38/42/797363842.db2.gz DXFYYLMUXZDGGC-RBGSFJITSA-N 2 1 342.491 2.145 20 30 EEEDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)CC[C@@H]21 ZINC001173335162 797363852 /nfs/dbraw/zinc/36/38/52/797363852.db2.gz DXFYYLMUXZDGGC-RBGSFJITSA-N 2 1 342.491 2.145 20 30 EEEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429276 797453534 /nfs/dbraw/zinc/45/35/34/797453534.db2.gz VAWOWGXALRXVQB-BEFAXECRSA-N 2 1 340.471 2.093 20 30 EEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429276 797453537 /nfs/dbraw/zinc/45/35/37/797453537.db2.gz VAWOWGXALRXVQB-BEFAXECRSA-N 2 1 340.471 2.093 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C/C=C\Cl)[C@@H]2C)CC1 ZINC000994494823 798093720 /nfs/dbraw/zinc/09/37/20/798093720.db2.gz FVDPCSTWVHDSAL-CTHFIRIDSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C/C=C\Cl)[C@@H]2C)CC1 ZINC000994494823 798093727 /nfs/dbraw/zinc/09/37/27/798093727.db2.gz FVDPCSTWVHDSAL-CTHFIRIDSA-N 2 1 337.895 2.053 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406353 798199874 /nfs/dbraw/zinc/19/98/74/798199874.db2.gz NIKTWIGROHRDCA-BRWVUGGUSA-N 2 1 328.460 2.259 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406353 798199878 /nfs/dbraw/zinc/19/98/78/798199878.db2.gz NIKTWIGROHRDCA-BRWVUGGUSA-N 2 1 328.460 2.259 20 30 EEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404323 798410931 /nfs/dbraw/zinc/41/09/31/798410931.db2.gz VVQMMSYTKCPTBS-ZWKOTPCHSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404323 798410936 /nfs/dbraw/zinc/41/09/36/798410936.db2.gz VVQMMSYTKCPTBS-ZWKOTPCHSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404323 798410940 /nfs/dbraw/zinc/41/09/40/798410940.db2.gz VVQMMSYTKCPTBS-ZWKOTPCHSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C/C=C\Cl)[C@H]3C2)CC1 ZINC001085100509 798674403 /nfs/dbraw/zinc/67/44/03/798674403.db2.gz IICQWIFFDCKTIC-YDMGJVBSSA-N 2 1 349.906 2.007 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001179725906 800072721 /nfs/dbraw/zinc/07/27/21/800072721.db2.gz YLPXWHHACXEVCH-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085309487 800345738 /nfs/dbraw/zinc/34/57/38/800345738.db2.gz RMCCGDYRZKZOIK-CAOSSQGBSA-N 2 1 327.900 2.486 20 30 EEEDMP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001003966493 800648614 /nfs/dbraw/zinc/64/86/14/800648614.db2.gz COAZRUBDWFOVAO-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001003966493 800648616 /nfs/dbraw/zinc/64/86/16/800648616.db2.gz COAZRUBDWFOVAO-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592241 801680827 /nfs/dbraw/zinc/68/08/27/801680827.db2.gz DTGBNLGDUBVTRT-WCIQWLHISA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592241 801680832 /nfs/dbraw/zinc/68/08/32/801680832.db2.gz DTGBNLGDUBVTRT-WCIQWLHISA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592241 801680836 /nfs/dbraw/zinc/68/08/36/801680836.db2.gz DTGBNLGDUBVTRT-WCIQWLHISA-N 2 1 343.515 2.055 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108076246 802300193 /nfs/dbraw/zinc/30/01/93/802300193.db2.gz JHUICFGRTNFCRQ-LJQANCHMSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108076246 802300201 /nfs/dbraw/zinc/30/02/01/802300201.db2.gz JHUICFGRTNFCRQ-LJQANCHMSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001086615719 810430363 /nfs/dbraw/zinc/43/03/63/810430363.db2.gz PFLVGDKRSLGBMF-VQTJNVASSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001130423792 811618166 /nfs/dbraw/zinc/61/81/66/811618166.db2.gz WMBPSVPGARPNMB-DOTOQJQBSA-N 2 1 347.507 2.122 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001086659194 812430203 /nfs/dbraw/zinc/43/02/03/812430203.db2.gz NKFHPYKCLOXLAG-VBQJREDUSA-N 2 1 346.500 2.088 20 30 EEEDMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001480266910 1099962870 /nfs/dbraw/zinc/96/28/70/1099962870.db2.gz BCYWVEOJTTZBKH-MOPGFXCFSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001445090900 1100312091 /nfs/dbraw/zinc/31/20/91/1100312091.db2.gz YFJUFAWHSZGGRF-KRWDZBQOSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001445090900 1100312102 /nfs/dbraw/zinc/31/21/02/1100312102.db2.gz YFJUFAWHSZGGRF-KRWDZBQOSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)s1 ZINC001445090900 1100312110 /nfs/dbraw/zinc/31/21/10/1100312110.db2.gz YFJUFAWHSZGGRF-KRWDZBQOSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001445090900 1100312117 /nfs/dbraw/zinc/31/21/17/1100312117.db2.gz YFJUFAWHSZGGRF-KRWDZBQOSA-N 2 1 348.516 2.384 20 30 EEEDMP C[NH+](C)CCCC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001494042573 1103412710 /nfs/dbraw/zinc/41/27/10/1103412710.db2.gz KTHSAQACCCEMCA-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](CC)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001495058392 1104695055 /nfs/dbraw/zinc/69/50/55/1104695055.db2.gz OLAYIEZXFZJWDS-ZDUSSCGKSA-N 2 1 348.329 2.357 20 30 EEEDMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001507128234 1115122844 /nfs/dbraw/zinc/12/28/44/1115122844.db2.gz SZOSKERMHQGQQZ-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP CN(CC[N@@H+](C)CCCOc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000180947103 529895436 /nfs/dbraw/zinc/89/54/36/529895436.db2.gz KRBVMAPREAAIQQ-UHFFFAOYSA-N 2 1 344.503 2.285 20 30 EEEDMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000330028616 539787166 /nfs/dbraw/zinc/78/71/66/539787166.db2.gz OTYWTTZXXORLNT-LBPRGKRZSA-N 2 1 342.447 2.178 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000330028616 539787169 /nfs/dbraw/zinc/78/71/69/539787169.db2.gz OTYWTTZXXORLNT-LBPRGKRZSA-N 2 1 342.447 2.178 20 30 EEEDMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000447564056 242289328 /nfs/dbraw/zinc/28/93/28/242289328.db2.gz UNJCKZJPDWCNGC-MSOLQXFVSA-N 2 1 328.460 2.186 20 30 EEEDMP C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000581370191 324239485 /nfs/dbraw/zinc/23/94/85/324239485.db2.gz MIHNUYAQUYOCKW-GDBMZVCRSA-N 2 1 338.459 2.344 20 30 EEEDMP C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000581370191 324239489 /nfs/dbraw/zinc/23/94/89/324239489.db2.gz MIHNUYAQUYOCKW-GDBMZVCRSA-N 2 1 338.459 2.344 20 30 EEEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000339062329 465059520 /nfs/dbraw/zinc/05/95/20/465059520.db2.gz BCJGAIXAOMUJBC-XWTMOSNGSA-N 2 1 335.492 2.269 20 30 EEEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000339062329 465059526 /nfs/dbraw/zinc/05/95/26/465059526.db2.gz BCJGAIXAOMUJBC-XWTMOSNGSA-N 2 1 335.492 2.269 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(CC#N)c1 ZINC000170628276 463686274 /nfs/dbraw/zinc/68/62/74/463686274.db2.gz CEARHLXILFDEGM-IBGZPJMESA-N 2 1 342.487 2.241 20 30 EEEDMP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@H]1CCC[N@H+]1C ZINC000262720507 464039949 /nfs/dbraw/zinc/03/99/49/464039949.db2.gz FODNQPYSNUBGGN-OAHLLOKOSA-N 2 1 331.439 2.109 20 30 EEEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000264081569 464281030 /nfs/dbraw/zinc/28/10/30/464281030.db2.gz HPBXNTQFBABLRI-QGZVFWFLSA-N 2 1 331.508 2.304 20 30 EEEDMP CCN(CC)C(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264088779 464282244 /nfs/dbraw/zinc/28/22/44/464282244.db2.gz KGJXTUBPHVYDMP-SFHVURJKSA-N 2 1 331.508 2.022 20 30 EEEDMP CCN(CC)C(=[NH2+])NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000264088779 464282247 /nfs/dbraw/zinc/28/22/47/464282247.db2.gz KGJXTUBPHVYDMP-SFHVURJKSA-N 2 1 331.508 2.022 20 30 EEEDMP CCN(CC)C(=[NH2+])NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000264088779 464282252 /nfs/dbraw/zinc/28/22/52/464282252.db2.gz KGJXTUBPHVYDMP-SFHVURJKSA-N 2 1 331.508 2.022 20 30 EEEDMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329967801 465490759 /nfs/dbraw/zinc/49/07/59/465490759.db2.gz VSAOBJSTXVCXBD-OWCLPIDISA-N 2 1 333.480 2.070 20 30 EEEDMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329967801 465490762 /nfs/dbraw/zinc/49/07/62/465490762.db2.gz VSAOBJSTXVCXBD-OWCLPIDISA-N 2 1 333.480 2.070 20 30 EEEDMP CC1CCN(C(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000303256725 466228999 /nfs/dbraw/zinc/22/89/99/466228999.db2.gz IOUCAUUBYFNVEM-KRWDZBQOSA-N 2 1 344.503 2.454 20 30 EEEDMP CC1CCN(C(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000303256725 466229007 /nfs/dbraw/zinc/22/90/07/466229007.db2.gz IOUCAUUBYFNVEM-KRWDZBQOSA-N 2 1 344.503 2.454 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)C(C)C ZINC000367888816 466550732 /nfs/dbraw/zinc/55/07/32/466550732.db2.gz YUNNSYBZGYMZMC-GUDVDZBRSA-N 2 1 348.535 2.421 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437804 468586330 /nfs/dbraw/zinc/58/63/30/468586330.db2.gz KXSBYJHBHCQTJE-SJLPKXTDSA-N 2 1 328.460 2.131 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437804 468586335 /nfs/dbraw/zinc/58/63/35/468586335.db2.gz KXSBYJHBHCQTJE-SJLPKXTDSA-N 2 1 328.460 2.131 20 30 EEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000595504378 468879303 /nfs/dbraw/zinc/87/93/03/468879303.db2.gz HUWRLUQBZWVDRP-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000595504378 468879308 /nfs/dbraw/zinc/87/93/08/468879308.db2.gz HUWRLUQBZWVDRP-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000595504378 468879313 /nfs/dbraw/zinc/87/93/13/468879313.db2.gz HUWRLUQBZWVDRP-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847938 469115303 /nfs/dbraw/zinc/11/53/03/469115303.db2.gz WRBXFAQNAQCXCB-UHFFFAOYSA-N 2 1 349.438 2.494 20 30 EEEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NCc1ccc(C#N)cc1 ZINC000603109525 469267093 /nfs/dbraw/zinc/26/70/93/469267093.db2.gz CPAFJYIKCBXLGG-UHFFFAOYSA-N 2 1 342.487 2.372 20 30 EEEDMP C[C@H](CCC#N)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000602549209 469357617 /nfs/dbraw/zinc/35/76/17/469357617.db2.gz SWTIIWLNVWAVFX-VQIMIIECSA-N 2 1 342.487 2.413 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000106328048 526590012 /nfs/dbraw/zinc/59/00/12/526590012.db2.gz WXOSNLVZEDBLQP-INIZCTEOSA-N 2 1 334.464 2.222 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114643411 526925542 /nfs/dbraw/zinc/92/55/42/526925542.db2.gz KUCLNKNEFVHGAG-HXUWFJFHSA-N 2 1 339.483 2.112 20 30 EEEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823904135 607528066 /nfs/dbraw/zinc/52/80/66/607528066.db2.gz VTEXXDMDCKAGQO-UHFFFAOYSA-N 2 1 337.431 2.450 20 30 EEEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823904135 607528067 /nfs/dbraw/zinc/52/80/67/607528067.db2.gz VTEXXDMDCKAGQO-UHFFFAOYSA-N 2 1 337.431 2.450 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673213 676732308 /nfs/dbraw/zinc/73/23/08/676732308.db2.gz CVZVJDSQJRNWCK-JKSUJKDBSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000971673213 676732311 /nfs/dbraw/zinc/73/23/11/676732311.db2.gz CVZVJDSQJRNWCK-JKSUJKDBSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971673213 676732312 /nfs/dbraw/zinc/73/23/12/676732312.db2.gz CVZVJDSQJRNWCK-JKSUJKDBSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971673213 676732314 /nfs/dbraw/zinc/73/23/14/676732314.db2.gz CVZVJDSQJRNWCK-JKSUJKDBSA-N 2 1 327.900 2.250 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000971705591 676748610 /nfs/dbraw/zinc/74/86/10/676748610.db2.gz FPGXJKXVUWHIBN-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC000971705591 676748611 /nfs/dbraw/zinc/74/86/11/676748611.db2.gz FPGXJKXVUWHIBN-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000971705591 676748613 /nfs/dbraw/zinc/74/86/13/676748613.db2.gz FPGXJKXVUWHIBN-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC000971705591 676748614 /nfs/dbraw/zinc/74/86/14/676748614.db2.gz FPGXJKXVUWHIBN-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC000971705591 676748616 /nfs/dbraw/zinc/74/86/16/676748616.db2.gz FPGXJKXVUWHIBN-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972409430 678699291 /nfs/dbraw/zinc/69/92/91/678699291.db2.gz OKACXFLGCYUCSC-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972409430 678699295 /nfs/dbraw/zinc/69/92/95/678699295.db2.gz OKACXFLGCYUCSC-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972409430 678699297 /nfs/dbraw/zinc/69/92/97/678699297.db2.gz OKACXFLGCYUCSC-AZUAARDMSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414665 679298013 /nfs/dbraw/zinc/29/80/13/679298013.db2.gz XXEHUCJZEHZBMI-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414665 679298014 /nfs/dbraw/zinc/29/80/14/679298014.db2.gz XXEHUCJZEHZBMI-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028591489 681232836 /nfs/dbraw/zinc/23/28/36/681232836.db2.gz HXNZOZSSRIMHSP-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028591489 681232840 /nfs/dbraw/zinc/23/28/40/681232840.db2.gz HXNZOZSSRIMHSP-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028591489 681232843 /nfs/dbraw/zinc/23/28/43/681232843.db2.gz HXNZOZSSRIMHSP-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024732945 681395449 /nfs/dbraw/zinc/39/54/49/681395449.db2.gz GVAVMZGEVPXHAQ-KRWDZBQOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024732945 681395452 /nfs/dbraw/zinc/39/54/52/681395452.db2.gz GVAVMZGEVPXHAQ-KRWDZBQOSA-N 2 1 325.416 2.038 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001025160128 682132987 /nfs/dbraw/zinc/13/29/87/682132987.db2.gz ZTZRXOOPWGLJIH-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025245059 682324163 /nfs/dbraw/zinc/32/41/63/682324163.db2.gz ZJIGHCILSVGNON-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262000353 682773607 /nfs/dbraw/zinc/77/36/07/682773607.db2.gz PGYCBGLTTWFSBU-AWEZNQCLSA-N 2 1 332.448 2.306 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974859708 685645581 /nfs/dbraw/zinc/64/55/81/685645581.db2.gz BZRZBCFMUWSJAS-IBGZPJMESA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001026315699 684242301 /nfs/dbraw/zinc/24/23/01/684242301.db2.gz RZMAETRKAUXDOY-YESZJQIVSA-N 2 1 342.487 2.165 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975038940 686060948 /nfs/dbraw/zinc/06/09/48/686060948.db2.gz LRGRYFWGHNIVDV-WBVHZDCISA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975038940 686060957 /nfs/dbraw/zinc/06/09/57/686060957.db2.gz LRGRYFWGHNIVDV-WBVHZDCISA-N 2 1 330.476 2.157 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCC3)C2)CC1 ZINC001027693533 693999835 /nfs/dbraw/zinc/99/98/35/693999835.db2.gz DSBCZGAQSQGHLD-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(OC)cc1 ZINC000303974527 686961861 /nfs/dbraw/zinc/96/18/61/686961861.db2.gz HYVSYZDPZQXTEA-INIZCTEOSA-N 2 1 332.492 2.361 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2cc(CN3CCCC3)on2)CC1 ZINC000985645645 687374927 /nfs/dbraw/zinc/37/49/27/687374927.db2.gz AOIFNMWCNUUCEV-UHFFFAOYSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000985645645 687374931 /nfs/dbraw/zinc/37/49/31/687374931.db2.gz AOIFNMWCNUUCEV-UHFFFAOYSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000985645645 687374934 /nfs/dbraw/zinc/37/49/34/687374934.db2.gz AOIFNMWCNUUCEV-UHFFFAOYSA-N 2 1 346.475 2.383 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001029971147 688749414 /nfs/dbraw/zinc/74/94/14/688749414.db2.gz NSAPYNXZQPYJDF-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001029971147 688749417 /nfs/dbraw/zinc/74/94/17/688749417.db2.gz NSAPYNXZQPYJDF-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001029971147 688749422 /nfs/dbraw/zinc/74/94/22/688749422.db2.gz NSAPYNXZQPYJDF-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001029971147 688749427 /nfs/dbraw/zinc/74/94/27/688749427.db2.gz NSAPYNXZQPYJDF-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978253390 693414902 /nfs/dbraw/zinc/41/49/02/693414902.db2.gz VFKHZXYTNGINBZ-LUKYLMHMSA-N 2 1 339.911 2.011 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978253390 693414904 /nfs/dbraw/zinc/41/49/04/693414904.db2.gz VFKHZXYTNGINBZ-LUKYLMHMSA-N 2 1 339.911 2.011 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978253390 693414909 /nfs/dbraw/zinc/41/49/09/693414909.db2.gz VFKHZXYTNGINBZ-LUKYLMHMSA-N 2 1 339.911 2.011 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC000978527250 693682121 /nfs/dbraw/zinc/68/21/21/693682121.db2.gz RDYFWRYONHNANN-OWZKRDHZSA-N 2 1 341.499 2.274 20 30 EEEDMP C=C(Br)C[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001481506196 1181589385 /nfs/dbraw/zinc/58/93/85/1181589385.db2.gz YDRNDHADVBXDMQ-AWEZNQCLSA-N 2 1 346.313 2.017 20 30 EEEDMP C=C(Br)C[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001481506196 1181589391 /nfs/dbraw/zinc/58/93/91/1181589391.db2.gz YDRNDHADVBXDMQ-AWEZNQCLSA-N 2 1 346.313 2.017 20 30 EEEDMP C=C(Br)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001481506196 1181589396 /nfs/dbraw/zinc/58/93/96/1181589396.db2.gz YDRNDHADVBXDMQ-AWEZNQCLSA-N 2 1 346.313 2.017 20 30 EEEDMP C=C(Br)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001481506196 1181589402 /nfs/dbraw/zinc/58/94/02/1181589402.db2.gz YDRNDHADVBXDMQ-AWEZNQCLSA-N 2 1 346.313 2.017 20 30 EEEDMP C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876645 1186754416 /nfs/dbraw/zinc/75/44/16/1186754416.db2.gz UTQKFFMODAGXTE-GVDBMIGSSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876645 1186754421 /nfs/dbraw/zinc/75/44/21/1186754421.db2.gz UTQKFFMODAGXTE-GVDBMIGSSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876645 1186754426 /nfs/dbraw/zinc/75/44/26/1186754426.db2.gz UTQKFFMODAGXTE-GVDBMIGSSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876645 1186754432 /nfs/dbraw/zinc/75/44/32/1186754432.db2.gz UTQKFFMODAGXTE-GVDBMIGSSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876645 1186754434 /nfs/dbraw/zinc/75/44/34/1186754434.db2.gz UTQKFFMODAGXTE-GVDBMIGSSA-N 2 1 339.911 2.250 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577067 1188191258 /nfs/dbraw/zinc/19/12/58/1188191258.db2.gz PVMFZYRIWLQCED-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088752062 1188430661 /nfs/dbraw/zinc/43/06/61/1188430661.db2.gz SNCUJAKHHHZLHW-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088752062 1188430664 /nfs/dbraw/zinc/43/06/64/1188430664.db2.gz SNCUJAKHHHZLHW-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812196 1188555949 /nfs/dbraw/zinc/55/59/49/1188555949.db2.gz RELGBDJADDHJEF-NEWSRXKRSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812196 1188555951 /nfs/dbraw/zinc/55/59/51/1188555951.db2.gz RELGBDJADDHJEF-NEWSRXKRSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812196 1188555953 /nfs/dbraw/zinc/55/59/53/1188555953.db2.gz RELGBDJADDHJEF-NEWSRXKRSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812196 1188555954 /nfs/dbraw/zinc/55/59/54/1188555954.db2.gz RELGBDJADDHJEF-NEWSRXKRSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000991064333 1189767396 /nfs/dbraw/zinc/76/73/96/1189767396.db2.gz CWHRBDQDJTYSEF-WSTZPKSXSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991064333 1189767402 /nfs/dbraw/zinc/76/74/02/1189767402.db2.gz CWHRBDQDJTYSEF-WSTZPKSXSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991064333 1189767406 /nfs/dbraw/zinc/76/74/06/1189767406.db2.gz CWHRBDQDJTYSEF-WSTZPKSXSA-N 2 1 331.504 2.386 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)[C@H]1C ZINC001486183355 1193722709 /nfs/dbraw/zinc/72/27/09/1193722709.db2.gz GSKMPHNDTQEVAV-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@H]1C ZINC001486183355 1193722713 /nfs/dbraw/zinc/72/27/13/1193722713.db2.gz GSKMPHNDTQEVAV-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@H]1C ZINC001486183355 1193722715 /nfs/dbraw/zinc/72/27/15/1193722715.db2.gz GSKMPHNDTQEVAV-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)CC1 ZINC001273101237 1194385303 /nfs/dbraw/zinc/38/53/03/1194385303.db2.gz QHRZDHWSHQTKSX-LJQANCHMSA-N 2 1 332.492 2.089 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001128773504 1195465931 /nfs/dbraw/zinc/46/59/31/1195465931.db2.gz AHNNFCMEZQAFCL-GOSISDBHSA-N 2 1 347.890 2.272 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001034139583 1195813185 /nfs/dbraw/zinc/81/31/85/1195813185.db2.gz UUMIJYGZLUMCMX-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001034139583 1195813186 /nfs/dbraw/zinc/81/31/86/1195813186.db2.gz UUMIJYGZLUMCMX-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001034139583 1195813189 /nfs/dbraw/zinc/81/31/89/1195813189.db2.gz UUMIJYGZLUMCMX-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001005518418 1195897095 /nfs/dbraw/zinc/89/70/95/1195897095.db2.gz JQFOUZXHBYKAHM-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001005518418 1195897100 /nfs/dbraw/zinc/89/71/00/1195897100.db2.gz JQFOUZXHBYKAHM-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366107 1196155278 /nfs/dbraw/zinc/15/52/78/1196155278.db2.gz WWCFTOABLNUEFU-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034366107 1196155280 /nfs/dbraw/zinc/15/52/80/1196155280.db2.gz WWCFTOABLNUEFU-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001034394425 1196184008 /nfs/dbraw/zinc/18/40/08/1196184008.db2.gz NPDREIWMIGHOMR-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394425 1196184010 /nfs/dbraw/zinc/18/40/10/1196184010.db2.gz NPDREIWMIGHOMR-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394425 1196184013 /nfs/dbraw/zinc/18/40/13/1196184013.db2.gz NPDREIWMIGHOMR-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@H]1C ZINC001411038492 1198720761 /nfs/dbraw/zinc/72/07/61/1198720761.db2.gz GAYSQRLWRSCMEE-WMLDXEAASA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@H]1C ZINC001411038492 1198720765 /nfs/dbraw/zinc/72/07/65/1198720765.db2.gz GAYSQRLWRSCMEE-WMLDXEAASA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC001411038492 1198720769 /nfs/dbraw/zinc/72/07/69/1198720769.db2.gz GAYSQRLWRSCMEE-WMLDXEAASA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC001411038492 1198720772 /nfs/dbraw/zinc/72/07/72/1198720772.db2.gz GAYSQRLWRSCMEE-WMLDXEAASA-N 2 1 348.516 2.431 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)CC1 ZINC000870906155 1200943455 /nfs/dbraw/zinc/94/34/55/1200943455.db2.gz JLVYZDCHQADBOI-FQEVSTJZSA-N 2 1 339.483 2.031 20 30 EEEDMP C[C@H](C#N)OCC[NH+](C)[C@H]1CC[C@H]([N@H+](C)CCO[C@H](C)C#N)CC1 ZINC000886389631 1202500112 /nfs/dbraw/zinc/50/01/12/1202500112.db2.gz RLGUJXJLXXOZHL-BRSBDYLESA-N 2 1 336.480 2.019 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001275950459 1205600571 /nfs/dbraw/zinc/60/05/71/1205600571.db2.gz WYANKZZLJCRKCW-PMACEKPBSA-N 2 1 337.471 2.250 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C#N)c1Cl ZINC001276129941 1205790831 /nfs/dbraw/zinc/79/08/31/1205790831.db2.gz YQDALQBXWMEWCL-IRXDYDNUSA-N 2 1 332.879 2.422 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(C#N)c1Cl ZINC001276129941 1205790833 /nfs/dbraw/zinc/79/08/33/1205790833.db2.gz YQDALQBXWMEWCL-IRXDYDNUSA-N 2 1 332.879 2.422 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533776 1205861718 /nfs/dbraw/zinc/86/17/18/1205861718.db2.gz NHHMBUXRPUZVMY-YDZRNGNQSA-N 2 1 329.488 2.138 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533776 1205861719 /nfs/dbraw/zinc/86/17/19/1205861719.db2.gz NHHMBUXRPUZVMY-YDZRNGNQSA-N 2 1 329.488 2.138 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533776 1205861721 /nfs/dbraw/zinc/86/17/21/1205861721.db2.gz NHHMBUXRPUZVMY-YDZRNGNQSA-N 2 1 329.488 2.138 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095533776 1205861722 /nfs/dbraw/zinc/86/17/22/1205861722.db2.gz NHHMBUXRPUZVMY-YDZRNGNQSA-N 2 1 329.488 2.138 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110948797 1206413686 /nfs/dbraw/zinc/41/36/86/1206413686.db2.gz MOHIPPJLQDZOSX-RWQQGDIJSA-N 2 1 342.487 2.442 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110948797 1206413687 /nfs/dbraw/zinc/41/36/87/1206413687.db2.gz MOHIPPJLQDZOSX-RWQQGDIJSA-N 2 1 342.487 2.442 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947555018 1208618909 /nfs/dbraw/zinc/61/89/09/1208618909.db2.gz HMZYHXRZHLNGQK-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947555018 1208618910 /nfs/dbraw/zinc/61/89/10/1208618910.db2.gz HMZYHXRZHLNGQK-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947567634 1208624232 /nfs/dbraw/zinc/62/42/32/1208624232.db2.gz FYISDELILIAIEG-SJLPKXTDSA-N 2 1 327.472 2.007 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711012 1209317871 /nfs/dbraw/zinc/31/78/71/1209317871.db2.gz KBUWRDSXTNLGBI-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711012 1209317872 /nfs/dbraw/zinc/31/78/72/1209317872.db2.gz KBUWRDSXTNLGBI-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711012 1209317874 /nfs/dbraw/zinc/31/78/74/1209317874.db2.gz KBUWRDSXTNLGBI-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770722 1209363665 /nfs/dbraw/zinc/36/36/65/1209363665.db2.gz KVJSCLBHWLZANB-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770722 1209363669 /nfs/dbraw/zinc/36/36/69/1209363669.db2.gz KVJSCLBHWLZANB-ZWKOTPCHSA-N 2 1 342.487 2.090 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000948785961 1209375457 /nfs/dbraw/zinc/37/54/57/1209375457.db2.gz SRTBMNUUWJYLRS-BRWVUGGUSA-N 2 1 330.476 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948861401 1209421329 /nfs/dbraw/zinc/42/13/29/1209421329.db2.gz NDVGCLSGMUKICF-IBGZPJMESA-N 2 1 327.472 2.308 20 30 EEEDMP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000948898452 1209443577 /nfs/dbraw/zinc/44/35/77/1209443577.db2.gz IVCLDARMCWPMEK-RBUKOAKNSA-N 2 1 327.472 2.372 20 30 EEEDMP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948898452 1209443578 /nfs/dbraw/zinc/44/35/78/1209443578.db2.gz IVCLDARMCWPMEK-RBUKOAKNSA-N 2 1 327.472 2.372 20 30 EEEDMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948898452 1209443581 /nfs/dbraw/zinc/44/35/81/1209443581.db2.gz IVCLDARMCWPMEK-RBUKOAKNSA-N 2 1 327.472 2.372 20 30 EEEDMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000948954935 1209472685 /nfs/dbraw/zinc/47/26/85/1209472685.db2.gz PTBNEFWVDNNPJW-IBGZPJMESA-N 2 1 327.472 2.230 20 30 EEEDMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000948954935 1209472687 /nfs/dbraw/zinc/47/26/87/1209472687.db2.gz PTBNEFWVDNNPJW-IBGZPJMESA-N 2 1 327.472 2.230 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC001114499052 1212118030 /nfs/dbraw/zinc/11/80/30/1212118030.db2.gz KLTJUDLFDDRMAO-VQFNDLOPSA-N 2 1 348.491 2.367 20 30 EEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC001114499052 1212118034 /nfs/dbraw/zinc/11/80/34/1212118034.db2.gz KLTJUDLFDDRMAO-VQFNDLOPSA-N 2 1 348.491 2.367 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000959914054 1216224577 /nfs/dbraw/zinc/22/45/77/1216224577.db2.gz DGCSOJMORJVFEZ-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000960873441 1216955793 /nfs/dbraw/zinc/95/57/93/1216955793.db2.gz FTMHTEQNJKKUNS-OALUTQOASA-N 2 1 342.487 2.321 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230136 1217099376 /nfs/dbraw/zinc/09/93/76/1217099376.db2.gz KLTMRXQSZXMAAK-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230136 1217099377 /nfs/dbraw/zinc/09/93/77/1217099377.db2.gz KLTMRXQSZXMAAK-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230136 1217099378 /nfs/dbraw/zinc/09/93/78/1217099378.db2.gz KLTMRXQSZXMAAK-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292521 1217131940 /nfs/dbraw/zinc/13/19/40/1217131940.db2.gz JQFXRFVZGDWJBF-PMACEKPBSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961419654 1217183464 /nfs/dbraw/zinc/18/34/64/1217183464.db2.gz IALHRMVDIZAXAZ-FQEVSTJZSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911713 1225818019 /nfs/dbraw/zinc/81/80/19/1225818019.db2.gz SSUBYGNLFBZNIO-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911713 1225818021 /nfs/dbraw/zinc/81/80/21/1225818021.db2.gz SSUBYGNLFBZNIO-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1CC ZINC001037952822 1220692221 /nfs/dbraw/zinc/69/22/21/1220692221.db2.gz WVWVOURTKGAKNA-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001007520232 1222274184 /nfs/dbraw/zinc/27/41/84/1222274184.db2.gz ZLGNLMSZVXZGFI-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001016336630 1226360214 /nfs/dbraw/zinc/36/02/14/1226360214.db2.gz CVQORDKKBYTXIA-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001016336630 1226360221 /nfs/dbraw/zinc/36/02/21/1226360221.db2.gz CVQORDKKBYTXIA-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001016336630 1226360227 /nfs/dbraw/zinc/36/02/27/1226360227.db2.gz CVQORDKKBYTXIA-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001016336630 1226360234 /nfs/dbraw/zinc/36/02/34/1226360234.db2.gz CVQORDKKBYTXIA-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001017851965 1227797223 /nfs/dbraw/zinc/79/72/23/1227797223.db2.gz LDFRSXMQEWOJOG-QRQLOZEOSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001017851965 1227797228 /nfs/dbraw/zinc/79/72/28/1227797228.db2.gz LDFRSXMQEWOJOG-QRQLOZEOSA-N 2 1 342.487 2.395 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018938202 1228551719 /nfs/dbraw/zinc/55/17/19/1228551719.db2.gz DBNGOCYRFNMSSJ-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001018985749 1228607891 /nfs/dbraw/zinc/60/78/91/1228607891.db2.gz CJUABFZRQHOLBN-PMACEKPBSA-N 2 1 339.483 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001018985749 1228607894 /nfs/dbraw/zinc/60/78/94/1228607894.db2.gz CJUABFZRQHOLBN-PMACEKPBSA-N 2 1 339.483 2.092 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018989976 1228610858 /nfs/dbraw/zinc/61/08/58/1228610858.db2.gz AXVRMGCLISVYFL-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001038716253 1229994063 /nfs/dbraw/zinc/99/40/63/1229994063.db2.gz BYRNJUVXMOEMTB-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038716253 1229994066 /nfs/dbraw/zinc/99/40/66/1229994066.db2.gz BYRNJUVXMOEMTB-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038716253 1229994070 /nfs/dbraw/zinc/99/40/70/1229994070.db2.gz BYRNJUVXMOEMTB-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133955 1230344780 /nfs/dbraw/zinc/34/47/80/1230344780.db2.gz MUPSAGYQNUJPBT-OALUTQOASA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC001039156081 1230376377 /nfs/dbraw/zinc/37/63/77/1230376377.db2.gz XOHRNOKMDBSDEA-KRWDZBQOSA-N 2 1 343.471 2.149 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228536 1230461072 /nfs/dbraw/zinc/46/10/72/1230461072.db2.gz IZWGAXRWRRBNRS-LPHOPBHVSA-N 2 1 336.439 2.284 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040256948 1231136509 /nfs/dbraw/zinc/13/65/09/1231136509.db2.gz BYXCSAKBFBWHDE-HXUWFJFHSA-N 2 1 343.515 2.200 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040275126 1231147162 /nfs/dbraw/zinc/14/71/62/1231147162.db2.gz INYIGTIYSUQIMS-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275126 1231147163 /nfs/dbraw/zinc/14/71/63/1231147163.db2.gz INYIGTIYSUQIMS-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275126 1231147166 /nfs/dbraw/zinc/14/71/66/1231147166.db2.gz INYIGTIYSUQIMS-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545594 1231286085 /nfs/dbraw/zinc/28/60/85/1231286085.db2.gz RQAJFGQQKCSJEE-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545637 1231286724 /nfs/dbraw/zinc/28/67/24/1231286724.db2.gz TWHVRWCJZGACMH-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545637 1231286726 /nfs/dbraw/zinc/28/67/26/1231286726.db2.gz TWHVRWCJZGACMH-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545637 1231286728 /nfs/dbraw/zinc/28/67/28/1231286728.db2.gz TWHVRWCJZGACMH-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC(C)C)CC2 ZINC001040731758 1231351444 /nfs/dbraw/zinc/35/14/44/1231351444.db2.gz NDANDTZHRVBZIN-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC(C)C)CC2 ZINC001040731758 1231351447 /nfs/dbraw/zinc/35/14/47/1231351447.db2.gz NDANDTZHRVBZIN-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288306 1231496248 /nfs/dbraw/zinc/49/62/48/1231496248.db2.gz VWPZJUDURJEROO-SJLPKXTDSA-N 2 1 337.895 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288306 1231496251 /nfs/dbraw/zinc/49/62/51/1231496251.db2.gz VWPZJUDURJEROO-SJLPKXTDSA-N 2 1 337.895 2.005 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041605850 1231621217 /nfs/dbraw/zinc/62/12/17/1231621217.db2.gz NIRLMQAOZZWWHQ-LJQANCHMSA-N 2 1 331.460 2.455 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725202 1231663390 /nfs/dbraw/zinc/66/33/90/1231663390.db2.gz LKCIEZNBXAJBGA-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001045685352 1233906424 /nfs/dbraw/zinc/90/64/24/1233906424.db2.gz HNKJHRLJKRYROA-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000900246664 1234119507 /nfs/dbraw/zinc/11/95/07/1234119507.db2.gz RYTHYMJZISSXFZ-SFHVURJKSA-N 2 1 342.487 2.321 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC2CC2)CC1 ZINC001045896195 1234128233 /nfs/dbraw/zinc/12/82/33/1234128233.db2.gz XBYREGRZEHKKDF-UXHICEINSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001045943321 1234202606 /nfs/dbraw/zinc/20/26/06/1234202606.db2.gz HUMZONFXKRFBAN-YLJYHZDGSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001045943321 1234202608 /nfs/dbraw/zinc/20/26/08/1234202608.db2.gz HUMZONFXKRFBAN-YLJYHZDGSA-N 2 1 340.471 2.098 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045985633 1234280367 /nfs/dbraw/zinc/28/03/67/1234280367.db2.gz YRWICDGWBPETEM-AEFFLSMTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985633 1234280369 /nfs/dbraw/zinc/28/03/69/1234280369.db2.gz YRWICDGWBPETEM-AEFFLSMTSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319203 1234663631 /nfs/dbraw/zinc/66/36/31/1234663631.db2.gz PZDCJLPLIBSXBR-YLJYHZDGSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319203 1234663632 /nfs/dbraw/zinc/66/36/32/1234663632.db2.gz PZDCJLPLIBSXBR-YLJYHZDGSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319203 1234663635 /nfs/dbraw/zinc/66/36/35/1234663635.db2.gz PZDCJLPLIBSXBR-YLJYHZDGSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047241713 1235729557 /nfs/dbraw/zinc/72/95/57/1235729557.db2.gz SWXRCUJFJUVXKI-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048862191 1239067546 /nfs/dbraw/zinc/06/75/46/1239067546.db2.gz STZFVTYPIISOIQ-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001048862191 1239067558 /nfs/dbraw/zinc/06/75/58/1239067558.db2.gz STZFVTYPIISOIQ-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001048862191 1239067569 /nfs/dbraw/zinc/06/75/69/1239067569.db2.gz STZFVTYPIISOIQ-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235418 1240341439 /nfs/dbraw/zinc/34/14/39/1240341439.db2.gz KALZQNIVFOCBBR-OTWHNJEPSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049525448 1241248973 /nfs/dbraw/zinc/24/89/73/1241248973.db2.gz QPHGHBMSGOREIZ-AQNXPRMDSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049525448 1241248983 /nfs/dbraw/zinc/24/89/83/1241248983.db2.gz QPHGHBMSGOREIZ-AQNXPRMDSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049525448 1241248991 /nfs/dbraw/zinc/24/89/91/1241248991.db2.gz QPHGHBMSGOREIZ-AQNXPRMDSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049912751 1242674286 /nfs/dbraw/zinc/67/42/86/1242674286.db2.gz OILCLIBAFQIBKG-RTBURBONSA-N 2 1 325.456 2.060 20 30 EEEDMP O=C(Cn1ccnc1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001049934487 1242776470 /nfs/dbraw/zinc/77/64/70/1242776470.db2.gz XAGWNKGFANWLBC-PMACEKPBSA-N 2 1 348.450 2.000 20 30 EEEDMP O=C(Cn1ccnc1)N1CCC[C@H]2[C@@H]1CCN2CC#Cc1ccccc1 ZINC001049934487 1242776475 /nfs/dbraw/zinc/77/64/75/1242776475.db2.gz XAGWNKGFANWLBC-PMACEKPBSA-N 2 1 348.450 2.000 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052701274 1244783521 /nfs/dbraw/zinc/78/35/21/1244783521.db2.gz CALFXXHCSJBBRT-APWZRJJASA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701274 1244783527 /nfs/dbraw/zinc/78/35/27/1244783527.db2.gz CALFXXHCSJBBRT-APWZRJJASA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701274 1244783534 /nfs/dbraw/zinc/78/35/34/1244783534.db2.gz CALFXXHCSJBBRT-APWZRJJASA-N 2 1 337.483 2.193 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820674 1245074257 /nfs/dbraw/zinc/07/42/57/1245074257.db2.gz SWEIWBAJWBJLMH-MRXNPFEDSA-N 2 1 327.900 2.442 20 30 EEEDMP CC#CC[N@H+]1CCc2c(CNC(=O)C3CC[NH+](C)CC3)cccc2C1 ZINC001051298577 1245497177 /nfs/dbraw/zinc/49/71/77/1245497177.db2.gz XLOHJHBDGVDTHR-UHFFFAOYSA-N 2 1 339.483 2.026 20 30 EEEDMP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3CCCC[N@@H+]3CC)cccc2C1 ZINC001051306855 1245511422 /nfs/dbraw/zinc/51/14/22/1245511422.db2.gz UJYKUQWFBGWMQT-HXUWFJFHSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CC[N@H+]1CCc2c(CNC(=O)[C@H]3CCCC[NH+]3CC)cccc2C1 ZINC001051306855 1245511426 /nfs/dbraw/zinc/51/14/26/1245511426.db2.gz UJYKUQWFBGWMQT-HXUWFJFHSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCCC[NH+]3CC)cccc2C1 ZINC001051306855 1245511429 /nfs/dbraw/zinc/51/14/29/1245511429.db2.gz UJYKUQWFBGWMQT-HXUWFJFHSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953666 1245545744 /nfs/dbraw/zinc/54/57/44/1245545744.db2.gz FLOCPWUAXXSESY-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257458 1245582171 /nfs/dbraw/zinc/58/21/71/1245582171.db2.gz VFBMWKQYZBUXBL-INMHGKMJSA-N 2 1 345.890 2.199 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257458 1245582177 /nfs/dbraw/zinc/58/21/77/1245582177.db2.gz VFBMWKQYZBUXBL-INMHGKMJSA-N 2 1 345.890 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105206 1245920313 /nfs/dbraw/zinc/92/03/13/1245920313.db2.gz MSHVPPAJTYHDJG-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001101574751 1245978927 /nfs/dbraw/zinc/97/89/27/1245978927.db2.gz BLYTWSNIGNJTQO-KRWDZBQOSA-N 2 1 333.520 2.206 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001052255276 1246780557 /nfs/dbraw/zinc/78/05/57/1246780557.db2.gz YPTVENQIETUOBK-WOJBJXKFSA-N 2 1 339.483 2.103 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001052255276 1246780568 /nfs/dbraw/zinc/78/05/68/1246780568.db2.gz YPTVENQIETUOBK-WOJBJXKFSA-N 2 1 339.483 2.103 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001052255276 1246780580 /nfs/dbraw/zinc/78/05/80/1246780580.db2.gz YPTVENQIETUOBK-WOJBJXKFSA-N 2 1 339.483 2.103 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052565980 1247573317 /nfs/dbraw/zinc/57/33/17/1247573317.db2.gz JJBXGYRBGLVUSF-INIZCTEOSA-N 2 1 330.476 2.309 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052565980 1247573327 /nfs/dbraw/zinc/57/33/27/1247573327.db2.gz JJBXGYRBGLVUSF-INIZCTEOSA-N 2 1 330.476 2.309 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182885 1247638979 /nfs/dbraw/zinc/63/89/79/1247638979.db2.gz TUAXFHCBPXHPHL-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182885 1247638997 /nfs/dbraw/zinc/63/89/97/1247638997.db2.gz TUAXFHCBPXHPHL-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054182885 1247639009 /nfs/dbraw/zinc/63/90/09/1247639009.db2.gz TUAXFHCBPXHPHL-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001075042516 1257293164 /nfs/dbraw/zinc/29/31/64/1257293164.db2.gz WIILUOSWMDTSEO-VBQJREDUSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)C[C@@H](C)O2 ZINC001098635767 1257735853 /nfs/dbraw/zinc/73/58/53/1257735853.db2.gz RWXJYOVSHINLNA-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115957 1257976567 /nfs/dbraw/zinc/97/65/67/1257976567.db2.gz LYYDERDBFMPMNN-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099115957 1257976569 /nfs/dbraw/zinc/97/65/69/1257976569.db2.gz LYYDERDBFMPMNN-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001099115957 1257976573 /nfs/dbraw/zinc/97/65/73/1257976573.db2.gz LYYDERDBFMPMNN-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099530015 1258193150 /nfs/dbraw/zinc/19/31/50/1258193150.db2.gz ZCTVICCXCXQYNY-MANSERQUSA-N 2 1 345.531 2.156 20 30 EEEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001099530015 1258193153 /nfs/dbraw/zinc/19/31/53/1258193153.db2.gz ZCTVICCXCXQYNY-MANSERQUSA-N 2 1 345.531 2.156 20 30 EEEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001099530015 1258193157 /nfs/dbraw/zinc/19/31/57/1258193157.db2.gz ZCTVICCXCXQYNY-MANSERQUSA-N 2 1 345.531 2.156 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001185706358 1278748091 /nfs/dbraw/zinc/74/80/91/1278748091.db2.gz NPYYKHQXVBGOOD-QGZVFWFLSA-N 2 1 335.879 2.104 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187035166 1279376247 /nfs/dbraw/zinc/37/62/47/1279376247.db2.gz WCQIQUMRONTTAE-RTBURBONSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644899 1280992098 /nfs/dbraw/zinc/99/20/98/1280992098.db2.gz ONNFOLHITMBHOE-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001190644899 1280992102 /nfs/dbraw/zinc/99/21/02/1280992102.db2.gz ONNFOLHITMBHOE-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001190644899 1280992106 /nfs/dbraw/zinc/99/21/06/1280992106.db2.gz ONNFOLHITMBHOE-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194229369 1282933318 /nfs/dbraw/zinc/93/33/18/1282933318.db2.gz WSBOVLNHKNKFCK-LJQANCHMSA-N 2 1 345.487 2.097 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001197188166 1284478188 /nfs/dbraw/zinc/47/81/88/1284478188.db2.gz TYZVEIIASREZMS-BRWVUGGUSA-N 2 1 330.476 2.413 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCCO1 ZINC001201421446 1289575516 /nfs/dbraw/zinc/57/55/16/1289575516.db2.gz UTHAVOSCWDWQMQ-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001110715438 1293667717 /nfs/dbraw/zinc/66/77/17/1293667717.db2.gz ZBSVCCROZUCOIU-MKXGPGLRSA-N 2 1 340.471 2.120 20 30 EEEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001110715438 1293667719 /nfs/dbraw/zinc/66/77/19/1293667719.db2.gz ZBSVCCROZUCOIU-MKXGPGLRSA-N 2 1 340.471 2.120 20 30 EEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001202505038 1295186809 /nfs/dbraw/zinc/18/68/09/1295186809.db2.gz ZCHROEPGZABYAX-INIZCTEOSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710893 1299001003 /nfs/dbraw/zinc/00/10/03/1299001003.db2.gz NVPUOTOZJRLVPI-GUDVDZBRSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001224558469 1300647901 /nfs/dbraw/zinc/64/79/01/1300647901.db2.gz FFFRATQPYZLEFZ-IBGZPJMESA-N 2 1 337.483 2.050 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102601274 1301275559 /nfs/dbraw/zinc/27/55/59/1301275559.db2.gz VCRFCOBPPPALIT-VQIMIIECSA-N 2 1 342.487 2.083 20 30 EEEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102601274 1301275567 /nfs/dbraw/zinc/27/55/67/1301275567.db2.gz VCRFCOBPPPALIT-VQIMIIECSA-N 2 1 342.487 2.083 20 30 EEEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102601274 1301275571 /nfs/dbraw/zinc/27/55/71/1301275571.db2.gz VCRFCOBPPPALIT-VQIMIIECSA-N 2 1 342.487 2.083 20 30 EEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001227454004 1301835461 /nfs/dbraw/zinc/83/54/61/1301835461.db2.gz LPCJXYKLEHLFNI-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C[NH+](C)CC1(C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC001228889123 1302506716 /nfs/dbraw/zinc/50/67/16/1302506716.db2.gz SYTZKCRUHCDBOV-UHFFFAOYSA-N 2 1 346.500 2.042 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001104217001 1303654480 /nfs/dbraw/zinc/65/44/80/1303654480.db2.gz DFJCJDHINUPCHS-IIDMSEBBSA-N 2 1 345.491 2.050 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001104217001 1303654486 /nfs/dbraw/zinc/65/44/86/1303654486.db2.gz DFJCJDHINUPCHS-IIDMSEBBSA-N 2 1 345.491 2.050 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112072148 1304203452 /nfs/dbraw/zinc/20/34/52/1304203452.db2.gz LJSNGMDUFJGADU-MGPQQGTHSA-N 2 1 333.398 2.026 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001234434973 1304921771 /nfs/dbraw/zinc/92/17/71/1304921771.db2.gz AIXPMBFMVWWTOV-KRWDZBQOSA-N 2 1 330.476 2.261 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246304645 1310276643 /nfs/dbraw/zinc/27/66/43/1310276643.db2.gz FWDFGUPXGIDSBJ-ZBFHGGJFSA-N 2 1 349.431 2.342 20 30 EEEDMP Cc1ccc(F)cc1C[N@H+](C1CC[NH2+]CC1)[C@@H]1CCN[C@H](C#N)C1 ZINC001246965656 1310481075 /nfs/dbraw/zinc/48/10/75/1310481075.db2.gz PTLSRWKGRFJJIW-PKOBYXMFSA-N 2 1 330.451 2.332 20 30 EEEDMP Cc1ccc(F)cc1C[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCN[C@H](C#N)C1 ZINC001246965656 1310481083 /nfs/dbraw/zinc/48/10/83/1310481083.db2.gz PTLSRWKGRFJJIW-PKOBYXMFSA-N 2 1 330.451 2.332 20 30 EEEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001162996847 1321008400 /nfs/dbraw/zinc/00/84/00/1321008400.db2.gz CQZYCIWPMQSOQJ-IBGZPJMESA-N 2 1 329.488 2.175 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc3nc[nH]c32)CC1 ZINC001142696710 1315707157 /nfs/dbraw/zinc/70/71/57/1315707157.db2.gz SABCQPOTCJYQBR-UHFFFAOYSA-N 2 1 339.487 2.355 20 30 EEEDMP CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149397444 1315957643 /nfs/dbraw/zinc/95/76/43/1315957643.db2.gz BTXWTZMPDHHRIH-MSOLQXFVSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001149397444 1315957647 /nfs/dbraw/zinc/95/76/47/1315957647.db2.gz BTXWTZMPDHHRIH-MSOLQXFVSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001149397444 1315957649 /nfs/dbraw/zinc/95/76/49/1315957649.db2.gz BTXWTZMPDHHRIH-MSOLQXFVSA-N 2 1 339.524 2.258 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001149818206 1316055669 /nfs/dbraw/zinc/05/56/69/1316055669.db2.gz QLAPEZIYFQVZOE-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001149818206 1316055674 /nfs/dbraw/zinc/05/56/74/1316055674.db2.gz QLAPEZIYFQVZOE-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001149818206 1316055678 /nfs/dbraw/zinc/05/56/78/1316055678.db2.gz QLAPEZIYFQVZOE-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Cl)CN1CCC(CCOC)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001151403495 1316522114 /nfs/dbraw/zinc/52/21/14/1316522114.db2.gz WSQAOVLUKHOGJP-UHFFFAOYSA-N 2 1 345.915 2.068 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CCOC)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001151403495 1316522124 /nfs/dbraw/zinc/52/21/24/1316522124.db2.gz WSQAOVLUKHOGJP-UHFFFAOYSA-N 2 1 345.915 2.068 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828640 1316894375 /nfs/dbraw/zinc/89/43/75/1316894375.db2.gz PIQBKNGHAWAPCD-GOSISDBHSA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[NH+]1CCC([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001258775491 1319340992 /nfs/dbraw/zinc/34/09/92/1319340992.db2.gz QRSMZAITIMVOTL-UHFFFAOYSA-N 2 1 327.476 2.340 20 30 EEEDMP CCC[NH+]1CCC([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001258775491 1319340999 /nfs/dbraw/zinc/34/09/99/1319340999.db2.gz QRSMZAITIMVOTL-UHFFFAOYSA-N 2 1 327.476 2.340 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001159328651 1319742251 /nfs/dbraw/zinc/74/22/51/1319742251.db2.gz VEYZRZBJDWFYPB-IBGZPJMESA-N 2 1 327.472 2.008 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001160209787 1320100361 /nfs/dbraw/zinc/10/03/61/1320100361.db2.gz WURSDKDSHKYRNA-KDOFPFPSSA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001160209787 1320100365 /nfs/dbraw/zinc/10/03/65/1320100365.db2.gz WURSDKDSHKYRNA-KDOFPFPSSA-N 2 1 349.425 2.219 20 30 EEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001160559608 1320196894 /nfs/dbraw/zinc/19/68/94/1320196894.db2.gz LWGQRDBNHTXCIK-UHFFFAOYSA-N 2 1 346.475 2.454 20 30 EEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001160559608 1320196896 /nfs/dbraw/zinc/19/68/96/1320196896.db2.gz LWGQRDBNHTXCIK-UHFFFAOYSA-N 2 1 346.475 2.454 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001162848434 1320973036 /nfs/dbraw/zinc/97/30/36/1320973036.db2.gz ITSULOLFXAHVLM-FQEVSTJZSA-N 2 1 341.499 2.155 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001163820504 1321224984 /nfs/dbraw/zinc/22/49/84/1321224984.db2.gz FUFDYEJHWMVFTH-LJQANCHMSA-N 2 1 339.483 2.008 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203490985 1321894775 /nfs/dbraw/zinc/89/47/75/1321894775.db2.gz DZTFVDJUBUBFEM-SJORKVTESA-N 2 1 328.460 2.012 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001206794831 1323600661 /nfs/dbraw/zinc/60/06/61/1323600661.db2.gz VFFVWODOFKUIRT-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001208424472 1324491114 /nfs/dbraw/zinc/49/11/14/1324491114.db2.gz ZHFDENIMOJWXNC-WOJBJXKFSA-N 2 1 339.483 2.103 20 30 EEEDMP Cn1cc(C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)cc1C#N ZINC001276608637 1324764856 /nfs/dbraw/zinc/76/48/56/1324764856.db2.gz ROIBPCAISMTYLH-FQEVSTJZSA-N 2 1 343.519 2.136 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001210773374 1325424573 /nfs/dbraw/zinc/42/45/73/1325424573.db2.gz IARXFUAKPNDRLE-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001353317639 1338235576 /nfs/dbraw/zinc/23/55/76/1338235576.db2.gz YBOIFLCDHAENMS-UHFFFAOYSA-N 2 1 344.415 2.001 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CCCO1 ZINC001200548700 1338409836 /nfs/dbraw/zinc/40/98/36/1338409836.db2.gz VSRKEQAKPNPIOY-SJORKVTESA-N 2 1 348.491 2.180 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001388736886 1387685117 /nfs/dbraw/zinc/68/51/17/1387685117.db2.gz UEKSVBZLPOJDQL-JCNLHEQBSA-N 2 1 346.450 2.024 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135029861 1367997504 /nfs/dbraw/zinc/99/75/04/1367997504.db2.gz TUGWNSUNSYWVSN-HUUCEWRRSA-N 2 1 339.443 2.136 20 30 EEEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702068 1370560117 /nfs/dbraw/zinc/56/01/17/1370560117.db2.gz SQDDKSLRTCMVNF-FUHWJXTLSA-N 2 1 327.472 2.007 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071940068 1370583464 /nfs/dbraw/zinc/58/34/64/1370583464.db2.gz VLVIJBAMAWQJTE-GOEBONIOSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071940068 1370583469 /nfs/dbraw/zinc/58/34/69/1370583469.db2.gz VLVIJBAMAWQJTE-GOEBONIOSA-N 2 1 325.416 2.036 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001366706607 1374011403 /nfs/dbraw/zinc/01/14/03/1374011403.db2.gz ZDJXJJWAFBBBDZ-INIZCTEOSA-N 2 1 327.900 2.443 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001366706607 1374011405 /nfs/dbraw/zinc/01/14/05/1374011405.db2.gz ZDJXJJWAFBBBDZ-INIZCTEOSA-N 2 1 327.900 2.443 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001372651076 1376113539 /nfs/dbraw/zinc/11/35/39/1376113539.db2.gz NLEOBRADLNEPEE-RBUKOAKNSA-N 2 1 342.487 2.083 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001390570313 1388685280 /nfs/dbraw/zinc/68/52/80/1388685280.db2.gz RONJIZZODLDTQB-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001390665251 1388723518 /nfs/dbraw/zinc/72/35/18/1388723518.db2.gz OYMJJAUCNIZQJI-CQSZACIVSA-N 2 1 346.450 2.166 20 30 EEEDMP CCCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1ccccc1C#N ZINC001391131443 1389060567 /nfs/dbraw/zinc/06/05/67/1389060567.db2.gz AMJCKADLZWOOPE-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1ccccc1C#N ZINC001391131443 1389060570 /nfs/dbraw/zinc/06/05/70/1389060570.db2.gz AMJCKADLZWOOPE-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1ccccc1C#N ZINC001391131443 1389060573 /nfs/dbraw/zinc/06/05/73/1389060573.db2.gz AMJCKADLZWOOPE-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1ccccc1C#N ZINC001391131443 1389060578 /nfs/dbraw/zinc/06/05/78/1389060578.db2.gz AMJCKADLZWOOPE-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001753032021 1406610039 /nfs/dbraw/zinc/61/00/39/1406610039.db2.gz HVTBHHLCWPHIOI-IBGZPJMESA-N 2 1 341.499 2.398 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccc(C)cc2C)CC1 ZINC001753074170 1406666806 /nfs/dbraw/zinc/66/68/06/1406666806.db2.gz BOJIOTYQKQWGLQ-UHFFFAOYSA-N 2 1 341.499 2.197 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001400714677 1396553032 /nfs/dbraw/zinc/55/30/32/1396553032.db2.gz FKOQCPHINAKRGS-PBHICJAKSA-N 2 1 348.516 2.239 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001400714677 1396553038 /nfs/dbraw/zinc/55/30/38/1396553038.db2.gz FKOQCPHINAKRGS-PBHICJAKSA-N 2 1 348.516 2.239 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001401088303 1396925643 /nfs/dbraw/zinc/92/56/43/1396925643.db2.gz GVKVJAOSVOZLCE-UHFFFAOYSA-N 2 1 339.911 2.395 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001402983741 1398304334 /nfs/dbraw/zinc/30/43/34/1398304334.db2.gz XNGQFOBEXIBEEV-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001402983741 1398304344 /nfs/dbraw/zinc/30/43/44/1398304344.db2.gz XNGQFOBEXIBEEV-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001402983741 1398304350 /nfs/dbraw/zinc/30/43/50/1398304350.db2.gz XNGQFOBEXIBEEV-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001755588400 1407659230 /nfs/dbraw/zinc/65/92/30/1407659230.db2.gz YQFXATLXESWSGL-RHSMWYFYSA-N 2 1 333.480 2.193 20 30 EEEDMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001755588400 1407659236 /nfs/dbraw/zinc/65/92/36/1407659236.db2.gz YQFXATLXESWSGL-RHSMWYFYSA-N 2 1 333.480 2.193 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001075454166 760709355 /nfs/dbraw/zinc/70/93/55/760709355.db2.gz MOJMYJZNMJMXJQ-WSTZPKSXSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075454166 760709364 /nfs/dbraw/zinc/70/93/64/760709364.db2.gz MOJMYJZNMJMXJQ-WSTZPKSXSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075454166 760709371 /nfs/dbraw/zinc/70/93/71/760709371.db2.gz MOJMYJZNMJMXJQ-WSTZPKSXSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430379 769089790 /nfs/dbraw/zinc/08/97/90/769089790.db2.gz MEMYNEMDRFQTOA-KRWDZBQOSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001089660528 774043357 /nfs/dbraw/zinc/04/33/57/774043357.db2.gz KRMCIHYUVNQRGN-IAGOWNOFSA-N 2 1 342.487 2.076 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980186586 774048214 /nfs/dbraw/zinc/04/82/14/774048214.db2.gz JXXUQLLOYOBGCS-RCCFBDPRSA-N 2 1 342.487 2.247 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980186586 774048221 /nfs/dbraw/zinc/04/82/21/774048221.db2.gz JXXUQLLOYOBGCS-RCCFBDPRSA-N 2 1 342.487 2.247 20 30 EEEDMP C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089662655 774066030 /nfs/dbraw/zinc/06/60/30/774066030.db2.gz FTUKOEXKOOBJEC-QZTJIDSGSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001089662655 774066035 /nfs/dbraw/zinc/06/60/35/774066035.db2.gz FTUKOEXKOOBJEC-QZTJIDSGSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089662655 774066040 /nfs/dbraw/zinc/06/60/40/774066040.db2.gz FTUKOEXKOOBJEC-QZTJIDSGSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089662655 774066043 /nfs/dbraw/zinc/06/60/43/774066043.db2.gz FTUKOEXKOOBJEC-QZTJIDSGSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089662655 774066048 /nfs/dbraw/zinc/06/60/48/774066048.db2.gz FTUKOEXKOOBJEC-QZTJIDSGSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCCC)C[C@@H]3C2)CC1 ZINC000980257924 774203090 /nfs/dbraw/zinc/20/30/90/774203090.db2.gz VRDGBUZVOOBEMU-SLFFLAALSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485431 774709228 /nfs/dbraw/zinc/70/92/28/774709228.db2.gz JVXDIRSFKASYGY-HOTGVXAUSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485431 774709233 /nfs/dbraw/zinc/70/92/33/774709233.db2.gz JVXDIRSFKASYGY-HOTGVXAUSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820824 776963793 /nfs/dbraw/zinc/96/37/93/776963793.db2.gz PBULAVMPDSUIBY-MHORFTMASA-N 2 1 331.504 2.216 20 30 EEEDMP CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089847744 777907249 /nfs/dbraw/zinc/90/72/49/777907249.db2.gz XKPGGMOLKYYABI-RDGPPVDQSA-N 2 1 343.515 2.053 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089849870 777994008 /nfs/dbraw/zinc/99/40/08/777994008.db2.gz KHFWCRIHOJPMEV-YRPNKDGESA-N 2 1 345.531 2.463 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000981799223 778222615 /nfs/dbraw/zinc/22/26/15/778222615.db2.gz ZMVOBCSRXHDBCO-UHFFFAOYSA-N 2 1 345.512 2.371 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000982013142 778866164 /nfs/dbraw/zinc/86/61/64/778866164.db2.gz MLCZWQONTDIYJP-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC000982013142 778866174 /nfs/dbraw/zinc/86/61/74/778866174.db2.gz MLCZWQONTDIYJP-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC000982013142 778866180 /nfs/dbraw/zinc/86/61/80/778866180.db2.gz MLCZWQONTDIYJP-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711353 779467890 /nfs/dbraw/zinc/46/78/90/779467890.db2.gz FEHOTZWUQNYCFE-VQTJNVASSA-N 2 1 341.499 2.326 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087574249 781867851 /nfs/dbraw/zinc/86/78/51/781867851.db2.gz YXOCOXHLIMRFLM-OWCLPIDISA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087574249 781867856 /nfs/dbraw/zinc/86/78/56/781867856.db2.gz YXOCOXHLIMRFLM-OWCLPIDISA-N 2 1 325.884 2.050 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105395775 781889378 /nfs/dbraw/zinc/88/93/78/781889378.db2.gz FGYKIJXTUMWIEL-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184411 784019802 /nfs/dbraw/zinc/01/98/02/784019802.db2.gz JPXFZIJMMSONFK-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035184411 784019813 /nfs/dbraw/zinc/01/98/13/784019813.db2.gz JPXFZIJMMSONFK-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035184411 784019821 /nfs/dbraw/zinc/01/98/21/784019821.db2.gz JPXFZIJMMSONFK-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1ccnc1)CC2 ZINC001035231245 784198556 /nfs/dbraw/zinc/19/85/56/784198556.db2.gz LHEINSRXDGOERH-QGZVFWFLSA-N 2 1 328.460 2.172 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000996664751 787053360 /nfs/dbraw/zinc/05/33/60/787053360.db2.gz IPRRSMQZCAGJNP-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC[C@@H]2C1 ZINC000946875072 789135366 /nfs/dbraw/zinc/13/53/66/789135366.db2.gz DJXRHRKWEZTVFI-NSHGMRRFSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC[C@@H]2C1 ZINC000946875072 789135371 /nfs/dbraw/zinc/13/53/71/789135371.db2.gz DJXRHRKWEZTVFI-NSHGMRRFSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC[C@@H]2C1 ZINC000946875072 789135380 /nfs/dbraw/zinc/13/53/80/789135380.db2.gz DJXRHRKWEZTVFI-NSHGMRRFSA-N 2 1 331.504 2.219 20 30 EEEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001171215613 790074143 /nfs/dbraw/zinc/07/41/43/790074143.db2.gz BWJXYADRAVUWPB-LSTHTHJFSA-N 2 1 326.488 2.199 20 30 EEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088871889 791229476 /nfs/dbraw/zinc/22/94/76/791229476.db2.gz OACRWCWOJCNSAW-YSHGAJCASA-N 2 1 327.472 2.097 20 30 EEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088871889 791229485 /nfs/dbraw/zinc/22/94/85/791229485.db2.gz OACRWCWOJCNSAW-YSHGAJCASA-N 2 1 327.472 2.097 20 30 EEEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001148292679 792330762 /nfs/dbraw/zinc/33/07/62/792330762.db2.gz POVNESHCRHLPEE-ROUUACIJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292679 792330765 /nfs/dbraw/zinc/33/07/65/792330765.db2.gz POVNESHCRHLPEE-ROUUACIJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292679 792330777 /nfs/dbraw/zinc/33/07/77/792330777.db2.gz POVNESHCRHLPEE-ROUUACIJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC000998271690 792415630 /nfs/dbraw/zinc/41/56/30/792415630.db2.gz YGXTXWKXEVMQSY-KGLIPLIRSA-N 2 1 333.398 2.026 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C(F)(F)F ZINC000998310162 792529109 /nfs/dbraw/zinc/52/91/09/792529109.db2.gz GGDVTTBYCMFSOC-KGLIPLIRSA-N 2 1 344.381 2.137 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)c3cc(C[NH+]4CCCC4)on3)CCC[C@@H]12 ZINC000992166952 793015226 /nfs/dbraw/zinc/01/52/26/793015226.db2.gz JUIFECXVLARFFT-IEBWSBKVSA-N 2 1 344.459 2.183 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(C[NH+]4CCCC4)on3)CCC[C@@H]12 ZINC000992166952 793015234 /nfs/dbraw/zinc/01/52/34/793015234.db2.gz JUIFECXVLARFFT-IEBWSBKVSA-N 2 1 344.459 2.183 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942517 793035290 /nfs/dbraw/zinc/03/52/90/793035290.db2.gz UHNSMLSFYYGGFP-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910093 793396031 /nfs/dbraw/zinc/39/60/31/793396031.db2.gz IAPMUMPBAQHJKP-QAPCUYQASA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910093 793396034 /nfs/dbraw/zinc/39/60/34/793396034.db2.gz IAPMUMPBAQHJKP-QAPCUYQASA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC000999393793 794376483 /nfs/dbraw/zinc/37/64/83/794376483.db2.gz YJATUJYWIZJOTG-MSOLQXFVSA-N 2 1 345.512 2.235 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC000999393793 794376495 /nfs/dbraw/zinc/37/64/95/794376495.db2.gz YJATUJYWIZJOTG-MSOLQXFVSA-N 2 1 345.512 2.235 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999506531 794556627 /nfs/dbraw/zinc/55/66/27/794556627.db2.gz BNVOJFUPZMDXSJ-WMLDXEAASA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC001036783312 794984127 /nfs/dbraw/zinc/98/41/27/794984127.db2.gz XYSZCHLOKSGSDL-IEBWSBKVSA-N 2 1 334.423 2.042 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093383771 795126395 /nfs/dbraw/zinc/12/63/95/795126395.db2.gz OFIWXUAACHWDDD-HXUWFJFHSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001093399907 795177883 /nfs/dbraw/zinc/17/78/83/795177883.db2.gz WJMWMYKXFVCXDP-BOHSKOPMSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820036 795287537 /nfs/dbraw/zinc/28/75/37/795287537.db2.gz BPRRWMBKSUHBFJ-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820036 795287542 /nfs/dbraw/zinc/28/75/42/795287542.db2.gz BPRRWMBKSUHBFJ-HOTGVXAUSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842383 795425802 /nfs/dbraw/zinc/42/58/02/795425802.db2.gz OHIDPLZBSFSVIA-MOPGFXCFSA-N 2 1 327.472 2.471 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081126813 796670637 /nfs/dbraw/zinc/67/06/37/796670637.db2.gz GILKDOZQESCHRA-SLFFLAALSA-N 2 1 339.483 2.078 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994211887 797393167 /nfs/dbraw/zinc/39/31/67/797393167.db2.gz ZPOYJZACOBBDNB-QFBILLFUSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174890085 797904826 /nfs/dbraw/zinc/90/48/26/797904826.db2.gz PBMPOILPRTXWKF-QZTJIDSGSA-N 2 1 339.524 2.326 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174890085 797904831 /nfs/dbraw/zinc/90/48/31/797904831.db2.gz PBMPOILPRTXWKF-QZTJIDSGSA-N 2 1 339.524 2.326 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040543152 798004320 /nfs/dbraw/zinc/00/43/20/798004320.db2.gz HNGGYLSEWAQOQL-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994478923 798073120 /nfs/dbraw/zinc/07/31/20/798073120.db2.gz WEWZJLJOENJEOJ-DOTOQJQBSA-N 2 1 331.460 2.337 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994478923 798073126 /nfs/dbraw/zinc/07/31/26/798073126.db2.gz WEWZJLJOENJEOJ-DOTOQJQBSA-N 2 1 331.460 2.337 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958261 798578156 /nfs/dbraw/zinc/57/81/56/798578156.db2.gz RZGHZIZWWMQFFO-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958261 798578159 /nfs/dbraw/zinc/57/81/59/798578159.db2.gz RZGHZIZWWMQFFO-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958261 798578160 /nfs/dbraw/zinc/57/81/60/798578160.db2.gz RZGHZIZWWMQFFO-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085075247 798653760 /nfs/dbraw/zinc/65/37/60/798653760.db2.gz WQYUCTRPHSPTEW-OAGGEKHMSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085075247 798653762 /nfs/dbraw/zinc/65/37/62/798653762.db2.gz WQYUCTRPHSPTEW-OAGGEKHMSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075247 798653766 /nfs/dbraw/zinc/65/37/66/798653766.db2.gz WQYUCTRPHSPTEW-OAGGEKHMSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075247 798653769 /nfs/dbraw/zinc/65/37/69/798653769.db2.gz WQYUCTRPHSPTEW-OAGGEKHMSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001181963085 800961250 /nfs/dbraw/zinc/96/12/50/800961250.db2.gz YOTUCASYYYWWHO-RDTXWAMCSA-N 2 1 334.464 2.000 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946743715 803018285 /nfs/dbraw/zinc/01/82/85/803018285.db2.gz ZRYAMQQERTWQSC-CALCHBBNSA-N 2 1 343.471 2.149 20 30 EEEDMP C=C(C)CCN1CCn2ncc(CNC(=O)CC[N@H+](C)CCC)c2C1 ZINC001128559764 803072485 /nfs/dbraw/zinc/07/24/85/803072485.db2.gz DMYPPCDJTDGQSW-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP C=C(C)CC[NH+]1CCn2ncc(CNC(=O)CC[N@@H+](C)CCC)c2C1 ZINC001128559764 803072492 /nfs/dbraw/zinc/07/24/92/803072492.db2.gz DMYPPCDJTDGQSW-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP C=C(C)CC[NH+]1CCn2ncc(CNC(=O)CC[N@H+](C)CCC)c2C1 ZINC001128559764 803072499 /nfs/dbraw/zinc/07/24/99/803072499.db2.gz DMYPPCDJTDGQSW-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)CC[NH+](C)CCC)c2C1 ZINC001128559764 803072504 /nfs/dbraw/zinc/07/25/04/803072504.db2.gz DMYPPCDJTDGQSW-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)CC[NH+](C)CCC)c2C1 ZINC001128559764 803072510 /nfs/dbraw/zinc/07/25/10/803072510.db2.gz DMYPPCDJTDGQSW-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001129411176 810829112 /nfs/dbraw/zinc/82/91/12/810829112.db2.gz WQQINPLNJCHNJR-SFHVURJKSA-N 2 1 346.450 2.166 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001129411176 810829121 /nfs/dbraw/zinc/82/91/21/810829121.db2.gz WQQINPLNJCHNJR-SFHVURJKSA-N 2 1 346.450 2.166 20 30 EEEDMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)s1 ZINC001437483866 1089836791 /nfs/dbraw/zinc/83/67/91/1089836791.db2.gz VBGNTBFJRGOPRE-QGZVFWFLSA-N 2 1 348.516 2.288 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)s1 ZINC001437483866 1089836805 /nfs/dbraw/zinc/83/68/05/1089836805.db2.gz VBGNTBFJRGOPRE-QGZVFWFLSA-N 2 1 348.516 2.288 20 30 EEEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001437483866 1089836819 /nfs/dbraw/zinc/83/68/19/1089836819.db2.gz VBGNTBFJRGOPRE-QGZVFWFLSA-N 2 1 348.516 2.288 20 30 EEEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001437483866 1089836830 /nfs/dbraw/zinc/83/68/30/1089836830.db2.gz VBGNTBFJRGOPRE-QGZVFWFLSA-N 2 1 348.516 2.288 20 30 EEEDMP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001438824810 1091441423 /nfs/dbraw/zinc/44/14/23/1091441423.db2.gz XAZCYWONJQEARA-ZWKOTPCHSA-N 2 1 346.450 2.022 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001448978035 1093981860 /nfs/dbraw/zinc/98/18/60/1093981860.db2.gz PGPLPKPMINUHAQ-NVXWUHKLSA-N 2 1 335.879 2.450 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001448978035 1093981862 /nfs/dbraw/zinc/98/18/62/1093981862.db2.gz PGPLPKPMINUHAQ-NVXWUHKLSA-N 2 1 335.879 2.450 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001480536125 1100365193 /nfs/dbraw/zinc/36/51/93/1100365193.db2.gz CFPBJCFGGQAOKL-HNNXBMFYSA-N 2 1 330.476 2.130 20 30 EEEDMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccc(C#N)s1 ZINC001493292056 1107870539 /nfs/dbraw/zinc/87/05/39/1107870539.db2.gz XLPMMNUNXAYPGZ-RHSMWYFYSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccc(C#N)s1 ZINC001493292056 1107870560 /nfs/dbraw/zinc/87/05/60/1107870560.db2.gz XLPMMNUNXAYPGZ-RHSMWYFYSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccc(C#N)s1 ZINC001493292056 1107870580 /nfs/dbraw/zinc/87/05/80/1107870580.db2.gz XLPMMNUNXAYPGZ-RHSMWYFYSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001503003416 1113870628 /nfs/dbraw/zinc/87/06/28/1113870628.db2.gz RCDQXXRVKWQBMO-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001503003416 1113870630 /nfs/dbraw/zinc/87/06/30/1113870630.db2.gz RCDQXXRVKWQBMO-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001503003416 1113870632 /nfs/dbraw/zinc/87/06/32/1113870632.db2.gz RCDQXXRVKWQBMO-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000328734586 539760223 /nfs/dbraw/zinc/76/02/23/539760223.db2.gz KDYQBRJUQMIXRL-OAHLLOKOSA-N 2 1 333.480 2.040 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000328734586 539760226 /nfs/dbraw/zinc/76/02/26/539760226.db2.gz KDYQBRJUQMIXRL-OAHLLOKOSA-N 2 1 333.480 2.040 20 30 EEEDMP Cc1c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)oc2ccc(F)cc12 ZINC000104180944 237082938 /nfs/dbraw/zinc/08/29/38/237082938.db2.gz WFDVWTCZHUAMES-UHFFFAOYSA-N 2 1 348.422 2.007 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000296699391 465230696 /nfs/dbraw/zinc/23/06/96/465230696.db2.gz YYOWFHXYKCTSIJ-LJQANCHMSA-N 2 1 342.487 2.078 20 30 EEEDMP CC1CC[NH+]([C@H](CNC(=[NH2+])N2CCOCC2)c2cccs2)CC1 ZINC000262163820 463962594 /nfs/dbraw/zinc/96/25/94/463962594.db2.gz AEYBEWWORQNOEI-OAHLLOKOSA-N 2 1 336.505 2.168 20 30 EEEDMP C[N@H+](CCCSCC#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188328621 464255959 /nfs/dbraw/zinc/25/59/59/464255959.db2.gz BQXJOGVFRNKXTR-SFHVURJKSA-N 2 1 333.501 2.202 20 30 EEEDMP C[N@@H+](CCCSCC#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188328621 464255965 /nfs/dbraw/zinc/25/59/65/464255965.db2.gz BQXJOGVFRNKXTR-SFHVURJKSA-N 2 1 333.501 2.202 20 30 EEEDMP C[NH+](CCCSCC#N)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188328621 464255972 /nfs/dbraw/zinc/25/59/72/464255972.db2.gz BQXJOGVFRNKXTR-SFHVURJKSA-N 2 1 333.501 2.202 20 30 EEEDMP C[NH+](CCCSCC#N)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188328621 464255980 /nfs/dbraw/zinc/25/59/80/464255980.db2.gz BQXJOGVFRNKXTR-SFHVURJKSA-N 2 1 333.501 2.202 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC(F)F)c1 ZINC000264316344 464294885 /nfs/dbraw/zinc/29/48/85/464294885.db2.gz WIALSLZREVIZMX-CQSZACIVSA-N 2 1 340.418 2.219 20 30 EEEDMP C=CCNC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285383428 464544291 /nfs/dbraw/zinc/54/42/91/464544291.db2.gz BOYWIDWPIWJJEO-YLJYHZDGSA-N 2 1 327.472 2.275 20 30 EEEDMP C=CCOc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000282344818 464783700 /nfs/dbraw/zinc/78/37/00/464783700.db2.gz MJLIJVKJDMTUIZ-UHFFFAOYSA-N 2 1 347.503 2.376 20 30 EEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C(C)C ZINC000343250570 465493681 /nfs/dbraw/zinc/49/36/81/465493681.db2.gz ZYYBYHWEQBPCKT-MTQWCTHYSA-N 2 1 335.536 2.432 20 30 EEEDMP [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+]C1CC[NH+](C2CCCC2)CC1 ZINC000330202807 465566563 /nfs/dbraw/zinc/56/65/63/465566563.db2.gz ZUHUNHSFQVKLRX-OAHLLOKOSA-N 2 1 331.464 2.109 20 30 EEEDMP [O-]C(NC1CC[NH+](C2CCCC2)CC1)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330202807 465566568 /nfs/dbraw/zinc/56/65/68/465566568.db2.gz ZUHUNHSFQVKLRX-OAHLLOKOSA-N 2 1 331.464 2.109 20 30 EEEDMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000330719803 465777032 /nfs/dbraw/zinc/77/70/32/465777032.db2.gz BIIUHJVVIKTWEP-UHFFFAOYSA-N 2 1 334.851 2.424 20 30 EEEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000304648829 466307968 /nfs/dbraw/zinc/30/79/68/466307968.db2.gz XQWNSXLXGMAGRU-GOEBONIOSA-N 2 1 338.521 2.462 20 30 EEEDMP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424148470 466990825 /nfs/dbraw/zinc/99/08/25/466990825.db2.gz ULRCTGOQBFBEBH-AEFFLSMTSA-N 2 1 328.460 2.131 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccccc1C#N ZINC000374424028 467045800 /nfs/dbraw/zinc/04/58/00/467045800.db2.gz YEAGQYRRVJNLFC-AOIWGVFYSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOc1ccccc1C#N ZINC000374424028 467045804 /nfs/dbraw/zinc/04/58/04/467045804.db2.gz YEAGQYRRVJNLFC-AOIWGVFYSA-N 2 1 329.444 2.121 20 30 EEEDMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528369621 467681889 /nfs/dbraw/zinc/68/18/89/467681889.db2.gz WDJCSSMNNZWYMZ-SFHVURJKSA-N 2 1 331.460 2.103 20 30 EEEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528369621 467681892 /nfs/dbraw/zinc/68/18/92/467681892.db2.gz WDJCSSMNNZWYMZ-SFHVURJKSA-N 2 1 331.460 2.103 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](CC)CC2)c(OC)c1 ZINC000583376157 468687882 /nfs/dbraw/zinc/68/78/82/468687882.db2.gz AAYYVPLNVGSGJN-SFHVURJKSA-N 2 1 348.487 2.237 20 30 EEEDMP CC(C)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602535590 469353459 /nfs/dbraw/zinc/35/34/59/469353459.db2.gz QOKKWIUKJIQXDP-OALUTQOASA-N 2 1 342.487 2.377 20 30 EEEDMP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168021197 782134883 /nfs/dbraw/zinc/13/48/83/782134883.db2.gz CJQJHEFCICIIPV-VQTJNVASSA-N 2 1 339.483 2.151 20 30 EEEDMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000130572739 527895420 /nfs/dbraw/zinc/89/54/20/527895420.db2.gz SWNCGIXQBPJAES-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000130572739 527895425 /nfs/dbraw/zinc/89/54/25/527895425.db2.gz SWNCGIXQBPJAES-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000130572739 527895431 /nfs/dbraw/zinc/89/54/31/527895431.db2.gz SWNCGIXQBPJAES-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000130572739 527895435 /nfs/dbraw/zinc/89/54/35/527895435.db2.gz SWNCGIXQBPJAES-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)CN2CC[NH+](C)CC2)c(O)c1 ZINC000106586439 528293145 /nfs/dbraw/zinc/29/31/45/528293145.db2.gz ZEUKOEIZVJALFR-RZKQZQCBSA-N 2 1 332.492 2.293 20 30 EEEDMP C=CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903970 608003680 /nfs/dbraw/zinc/00/36/80/608003680.db2.gz PMZCZVFIWOJAOL-QGZVFWFLSA-N 2 1 326.448 2.339 20 30 EEEDMP C=CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903970 608003681 /nfs/dbraw/zinc/00/36/81/608003681.db2.gz PMZCZVFIWOJAOL-QGZVFWFLSA-N 2 1 326.448 2.339 20 30 EEEDMP C=CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903970 608003682 /nfs/dbraw/zinc/00/36/82/608003682.db2.gz PMZCZVFIWOJAOL-QGZVFWFLSA-N 2 1 326.448 2.339 20 30 EEEDMP C=CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903970 608003683 /nfs/dbraw/zinc/00/36/83/608003683.db2.gz PMZCZVFIWOJAOL-QGZVFWFLSA-N 2 1 326.448 2.339 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001020509374 674970679 /nfs/dbraw/zinc/97/06/79/674970679.db2.gz SJXSSTUOKZIFOI-LNMJFAINSA-N 2 1 340.471 2.025 20 30 EEEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461140 675910943 /nfs/dbraw/zinc/91/09/43/675910943.db2.gz YNIBTWVTAWRYGA-AHRSYUTCSA-N 2 1 341.499 2.344 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182221 675942866 /nfs/dbraw/zinc/94/28/66/675942866.db2.gz LEZMNKORXDNUAD-LJQANCHMSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970043246 675415225 /nfs/dbraw/zinc/41/52/25/675415225.db2.gz TYNDITAYVQWZAQ-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156956 675715140 /nfs/dbraw/zinc/71/51/40/675715140.db2.gz ZWFWERJWJZLONJ-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000972494475 678917436 /nfs/dbraw/zinc/91/74/36/678917436.db2.gz QVICFUABRWVRRA-FQEVSTJZSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023367335 679275083 /nfs/dbraw/zinc/27/50/83/679275083.db2.gz YOGWYZOHTZBJFD-JKSUJKDBSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023367335 679275084 /nfs/dbraw/zinc/27/50/84/679275084.db2.gz YOGWYZOHTZBJFD-JKSUJKDBSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023367335 679275085 /nfs/dbraw/zinc/27/50/85/679275085.db2.gz YOGWYZOHTZBJFD-JKSUJKDBSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023367335 679275087 /nfs/dbraw/zinc/27/50/87/679275087.db2.gz YOGWYZOHTZBJFD-JKSUJKDBSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604915 679410461 /nfs/dbraw/zinc/41/04/61/679410461.db2.gz UCFWAEIQWPFXBT-RLLQIKCJSA-N 2 1 341.499 2.346 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604915 679410465 /nfs/dbraw/zinc/41/04/65/679410465.db2.gz UCFWAEIQWPFXBT-RLLQIKCJSA-N 2 1 341.499 2.346 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604915 679410469 /nfs/dbraw/zinc/41/04/69/679410469.db2.gz UCFWAEIQWPFXBT-RLLQIKCJSA-N 2 1 341.499 2.346 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024652965 681318551 /nfs/dbraw/zinc/31/85/51/681318551.db2.gz ZPOGNSFSELZCKW-HXUWFJFHSA-N 2 1 341.499 2.398 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001028602138 681350824 /nfs/dbraw/zinc/35/08/24/681350824.db2.gz XXFDXRZRZYHCMP-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001028602138 681350830 /nfs/dbraw/zinc/35/08/30/681350830.db2.gz XXFDXRZRZYHCMP-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001028602138 681350835 /nfs/dbraw/zinc/35/08/35/681350835.db2.gz XXFDXRZRZYHCMP-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028602138 681350840 /nfs/dbraw/zinc/35/08/40/681350840.db2.gz XXFDXRZRZYHCMP-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028602138 681350845 /nfs/dbraw/zinc/35/08/45/681350845.db2.gz XXFDXRZRZYHCMP-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1 ZINC001028605702 681360930 /nfs/dbraw/zinc/36/09/30/681360930.db2.gz DCWLHZNASSZGKU-KZNAEPCWSA-N 2 1 349.438 2.023 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)cc1 ZINC001028605702 681360936 /nfs/dbraw/zinc/36/09/36/681360936.db2.gz DCWLHZNASSZGKU-KZNAEPCWSA-N 2 1 349.438 2.023 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)cc1 ZINC001028605702 681360943 /nfs/dbraw/zinc/36/09/43/681360943.db2.gz DCWLHZNASSZGKU-KZNAEPCWSA-N 2 1 349.438 2.023 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001028641539 681491714 /nfs/dbraw/zinc/49/17/14/681491714.db2.gz HKOLFSNWNFOEML-JKSUJKDBSA-N 2 1 330.476 2.227 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001028641539 681491719 /nfs/dbraw/zinc/49/17/19/681491719.db2.gz HKOLFSNWNFOEML-JKSUJKDBSA-N 2 1 330.476 2.227 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028648877 681528215 /nfs/dbraw/zinc/52/82/15/681528215.db2.gz OOIIHFAEYYTVGQ-AWEZNQCLSA-N 2 1 332.835 2.447 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028648877 681528223 /nfs/dbraw/zinc/52/82/23/681528223.db2.gz OOIIHFAEYYTVGQ-AWEZNQCLSA-N 2 1 332.835 2.447 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982605345 681782699 /nfs/dbraw/zinc/78/26/99/681782699.db2.gz KWIRRKAFDWXCLV-YTQUADARSA-N 2 1 328.460 2.028 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239744 682295451 /nfs/dbraw/zinc/29/54/51/682295451.db2.gz ITMQFKGBMDHEEH-ROUUACIJSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025288977 682397472 /nfs/dbraw/zinc/39/74/72/682397472.db2.gz NVTPCMDRJMUNLJ-RTBURBONSA-N 2 1 340.471 2.240 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293923 682404322 /nfs/dbraw/zinc/40/43/22/682404322.db2.gz GVXWUINOVGBSLC-QZTJIDSGSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025293923 682404325 /nfs/dbraw/zinc/40/43/25/682404325.db2.gz GVXWUINOVGBSLC-QZTJIDSGSA-N 2 1 328.460 2.060 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261958625 682641066 /nfs/dbraw/zinc/64/10/66/682641066.db2.gz JNSFKAPWLYYOAQ-RVKKMQEKSA-N 2 1 342.487 2.200 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025465834 682839946 /nfs/dbraw/zinc/83/99/46/682839946.db2.gz WLTXFHLPRHUKMQ-RDJZCZTQSA-N 2 1 338.455 2.496 20 30 EEEDMP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262015832 682848190 /nfs/dbraw/zinc/84/81/90/682848190.db2.gz XRYYXYJQRWEKBQ-TZMCWYRMSA-N 2 1 333.480 2.120 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001025629250 683160320 /nfs/dbraw/zinc/16/03/20/683160320.db2.gz DWCIDAZACWXREY-MJGOQNOKSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000978849427 693958444 /nfs/dbraw/zinc/95/84/44/693958444.db2.gz XIGGYBBWKMJNFY-LDLYASANSA-N 2 1 327.472 2.232 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681617 693962129 /nfs/dbraw/zinc/96/21/29/693962129.db2.gz ZHRZWEGYMYVTMU-LJQANCHMSA-N 2 1 340.471 2.077 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681617 693962134 /nfs/dbraw/zinc/96/21/34/693962134.db2.gz ZHRZWEGYMYVTMU-LJQANCHMSA-N 2 1 340.471 2.077 20 30 EEEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262432071 686048388 /nfs/dbraw/zinc/04/83/88/686048388.db2.gz SPKUDCOBWDECGU-CENPHQPOSA-N 2 1 348.535 2.370 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040091 686063667 /nfs/dbraw/zinc/06/36/67/686063667.db2.gz PCPAIPWKVHNAMS-BEFAXECRSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040091 686063670 /nfs/dbraw/zinc/06/36/70/686063670.db2.gz PCPAIPWKVHNAMS-BEFAXECRSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040091 686063674 /nfs/dbraw/zinc/06/36/74/686063674.db2.gz PCPAIPWKVHNAMS-BEFAXECRSA-N 2 1 337.483 2.049 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)COCc1ccccc1 ZINC000303876274 686928677 /nfs/dbraw/zinc/92/86/77/686928677.db2.gz IBFWFPXRWLEZTC-FUHWJXTLSA-N 2 1 332.492 2.228 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CC3CC(C)C3)CC2)CC1 ZINC000985805465 687734629 /nfs/dbraw/zinc/73/46/29/687734629.db2.gz YHVQCMJJZYMOSY-UHFFFAOYSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000987269711 689565599 /nfs/dbraw/zinc/56/55/99/689565599.db2.gz SLYRIWPBXRDDML-XJKSGUPXSA-N 2 1 345.834 2.212 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978243850 693421703 /nfs/dbraw/zinc/42/17/03/693421703.db2.gz BIDQAOHRAJTABE-MKXGPGLRSA-N 2 1 333.520 2.225 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978243850 693421706 /nfs/dbraw/zinc/42/17/06/693421706.db2.gz BIDQAOHRAJTABE-MKXGPGLRSA-N 2 1 333.520 2.225 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978243850 693421711 /nfs/dbraw/zinc/42/17/11/693421711.db2.gz BIDQAOHRAJTABE-MKXGPGLRSA-N 2 1 333.520 2.225 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4nccn43)[C@@H]2C1 ZINC000978280553 693455461 /nfs/dbraw/zinc/45/54/61/693455461.db2.gz YXBGIZNYMHMVED-NXOAAHMSSA-N 2 1 328.460 2.021 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978280553 693455463 /nfs/dbraw/zinc/45/54/63/693455463.db2.gz YXBGIZNYMHMVED-NXOAAHMSSA-N 2 1 328.460 2.021 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978280553 693455466 /nfs/dbraw/zinc/45/54/66/693455466.db2.gz YXBGIZNYMHMVED-NXOAAHMSSA-N 2 1 328.460 2.021 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)Cc2ccc(C#N)s2)C1 ZINC001481505886 1181590231 /nfs/dbraw/zinc/59/02/31/1181590231.db2.gz UXSRDWMTHKTDBB-HNNXBMFYSA-N 2 1 348.516 2.242 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001481505886 1181590232 /nfs/dbraw/zinc/59/02/32/1181590232.db2.gz UXSRDWMTHKTDBB-HNNXBMFYSA-N 2 1 348.516 2.242 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001481505886 1181590233 /nfs/dbraw/zinc/59/02/33/1181590233.db2.gz UXSRDWMTHKTDBB-HNNXBMFYSA-N 2 1 348.516 2.242 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCC1 ZINC001484648895 1191454973 /nfs/dbraw/zinc/45/49/73/1191454973.db2.gz NQFYPWICLAUHHQ-CQSZACIVSA-N 2 1 336.867 2.135 20 30 EEEDMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001005180182 1194668280 /nfs/dbraw/zinc/66/82/80/1194668280.db2.gz RAZUNKCOKHJLFF-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001034046968 1195699050 /nfs/dbraw/zinc/69/90/50/1195699050.db2.gz WUFHOSRNJWNLNQ-IBGZPJMESA-N 2 1 331.504 2.221 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034241146 1195991852 /nfs/dbraw/zinc/99/18/52/1195991852.db2.gz PBYFHNQHPROMQQ-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034241146 1195991853 /nfs/dbraw/zinc/99/18/53/1195991853.db2.gz PBYFHNQHPROMQQ-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034241146 1195991854 /nfs/dbraw/zinc/99/18/54/1195991854.db2.gz PBYFHNQHPROMQQ-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524121 1196327655 /nfs/dbraw/zinc/32/76/55/1196327655.db2.gz DKMCSTIRSNEWFK-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524121 1196327657 /nfs/dbraw/zinc/32/76/57/1196327657.db2.gz DKMCSTIRSNEWFK-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524121 1196327659 /nfs/dbraw/zinc/32/76/59/1196327659.db2.gz DKMCSTIRSNEWFK-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524121 1196327661 /nfs/dbraw/zinc/32/76/61/1196327661.db2.gz DKMCSTIRSNEWFK-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524116 1196327957 /nfs/dbraw/zinc/32/79/57/1196327957.db2.gz DKMCSTIRSNEWFK-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524116 1196327960 /nfs/dbraw/zinc/32/79/60/1196327960.db2.gz DKMCSTIRSNEWFK-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524116 1196327963 /nfs/dbraw/zinc/32/79/63/1196327963.db2.gz DKMCSTIRSNEWFK-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524116 1196327964 /nfs/dbraw/zinc/32/79/64/1196327964.db2.gz DKMCSTIRSNEWFK-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001132274050 1199522360 /nfs/dbraw/zinc/52/23/60/1199522360.db2.gz NVXRRCCWFFAMMR-APWZRJJASA-N 2 1 345.462 2.098 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001132274050 1199522363 /nfs/dbraw/zinc/52/23/63/1199522363.db2.gz NVXRRCCWFFAMMR-APWZRJJASA-N 2 1 345.462 2.098 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)cc3C#N)C[C@H]2CC1 ZINC001275425350 1205354889 /nfs/dbraw/zinc/35/48/89/1205354889.db2.gz MXRLQSNSQBKARO-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3C#N)C[C@H]2CC1 ZINC001275425350 1205354893 /nfs/dbraw/zinc/35/48/93/1205354893.db2.gz MXRLQSNSQBKARO-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3C#N)C[C@H]2CC1 ZINC001275425350 1205354895 /nfs/dbraw/zinc/35/48/95/1205354895.db2.gz MXRLQSNSQBKARO-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3C#N)C[C@H]2CC1 ZINC001275425350 1205354898 /nfs/dbraw/zinc/35/48/98/1205354898.db2.gz MXRLQSNSQBKARO-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3ccc(F)cc3C#N)C[C@H]2CC1 ZINC001275425350 1205354901 /nfs/dbraw/zinc/35/49/01/1205354901.db2.gz MXRLQSNSQBKARO-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001276161166 1205805700 /nfs/dbraw/zinc/80/57/00/1205805700.db2.gz ZMJUSMUUOZPDRT-WOJBJXKFSA-N 2 1 348.450 2.379 20 30 EEEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001276161166 1205805702 /nfs/dbraw/zinc/80/57/02/1205805702.db2.gz ZMJUSMUUOZPDRT-WOJBJXKFSA-N 2 1 348.450 2.379 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533775 1205861605 /nfs/dbraw/zinc/86/16/05/1205861605.db2.gz NHHMBUXRPUZVMY-XWSJACJDSA-N 2 1 329.488 2.138 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533775 1205861607 /nfs/dbraw/zinc/86/16/07/1205861607.db2.gz NHHMBUXRPUZVMY-XWSJACJDSA-N 2 1 329.488 2.138 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533775 1205861608 /nfs/dbraw/zinc/86/16/08/1205861608.db2.gz NHHMBUXRPUZVMY-XWSJACJDSA-N 2 1 329.488 2.138 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095533775 1205861610 /nfs/dbraw/zinc/86/16/10/1205861610.db2.gz NHHMBUXRPUZVMY-XWSJACJDSA-N 2 1 329.488 2.138 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439409 1209139342 /nfs/dbraw/zinc/13/93/42/1209139342.db2.gz OXRPFKMEUCIPRX-DLBZAZTESA-N 2 1 328.460 2.097 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439409 1209139344 /nfs/dbraw/zinc/13/93/44/1209139344.db2.gz OXRPFKMEUCIPRX-DLBZAZTESA-N 2 1 328.460 2.097 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)CC[C@H]1CCC[N@@H+]1C)CCO2 ZINC000949115305 1209541808 /nfs/dbraw/zinc/54/18/08/1209541808.db2.gz ZKMCGOZCEJRACI-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000949358158 1209648931 /nfs/dbraw/zinc/64/89/31/1209648931.db2.gz FAWCBHJMCMFEMV-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000949358158 1209648934 /nfs/dbraw/zinc/64/89/34/1209648934.db2.gz FAWCBHJMCMFEMV-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000949358158 1209648937 /nfs/dbraw/zinc/64/89/37/1209648937.db2.gz FAWCBHJMCMFEMV-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568962 1215219839 /nfs/dbraw/zinc/21/98/39/1215219839.db2.gz SSHDHVHPUWDCPE-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Cc1ccc(OC)cc1 ZINC000305701458 1216989983 /nfs/dbraw/zinc/98/99/83/1216989983.db2.gz PRBTWUIBFSVIDS-DOTOQJQBSA-N 2 1 332.492 2.262 20 30 EEEDMP C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961027881 1217013580 /nfs/dbraw/zinc/01/35/80/1217013580.db2.gz LNOVWSCJJFPYHX-IBGZPJMESA-N 2 1 340.471 2.077 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961266357 1217117917 /nfs/dbraw/zinc/11/79/17/1217117917.db2.gz XFBIBWNGUODSJE-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961405182 1217177549 /nfs/dbraw/zinc/17/75/49/1217177549.db2.gz JALGXNLWSIJLAO-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961405182 1217177551 /nfs/dbraw/zinc/17/75/51/1217177551.db2.gz JALGXNLWSIJLAO-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961405182 1217177553 /nfs/dbraw/zinc/17/75/53/1217177553.db2.gz JALGXNLWSIJLAO-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961764361 1217316705 /nfs/dbraw/zinc/31/67/05/1217316705.db2.gz NIWDGLPEYJOZOJ-PASDCYSWSA-N 2 1 337.483 2.212 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000961764361 1217316709 /nfs/dbraw/zinc/31/67/09/1217316709.db2.gz NIWDGLPEYJOZOJ-PASDCYSWSA-N 2 1 337.483 2.212 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961764361 1217316716 /nfs/dbraw/zinc/31/67/16/1217316716.db2.gz NIWDGLPEYJOZOJ-PASDCYSWSA-N 2 1 337.483 2.212 20 30 EEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1CC ZINC001037922569 1220346690 /nfs/dbraw/zinc/34/66/90/1220346690.db2.gz BNYKLXROLAYRPR-NVXWUHKLSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967319225 1220410622 /nfs/dbraw/zinc/41/06/22/1220410622.db2.gz YBKLMPATCXSMQI-QAPCUYQASA-N 2 1 339.443 2.284 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009679020 1223330530 /nfs/dbraw/zinc/33/05/30/1223330530.db2.gz BUQCLYWEOLLGCZ-MRXNPFEDSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001016818409 1226901888 /nfs/dbraw/zinc/90/18/88/1226901888.db2.gz DKQKHJUWKLJYFP-JXFKEZNVSA-N 2 1 349.494 2.193 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001020250862 1229583302 /nfs/dbraw/zinc/58/33/02/1229583302.db2.gz UZHDIFUWQXZFHT-BJLQDIEVSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001020250862 1229583305 /nfs/dbraw/zinc/58/33/05/1229583305.db2.gz UZHDIFUWQXZFHT-BJLQDIEVSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020251242 1229583896 /nfs/dbraw/zinc/58/38/96/1229583896.db2.gz CCWCHZUXRYQRLG-OWYHZJEWSA-N 2 1 325.456 2.082 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020251242 1229583899 /nfs/dbraw/zinc/58/38/99/1229583899.db2.gz CCWCHZUXRYQRLG-OWYHZJEWSA-N 2 1 325.456 2.082 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130425 1230338340 /nfs/dbraw/zinc/33/83/40/1230338340.db2.gz OVOSVPNWSBZJGR-WOJBJXKFSA-N 2 1 345.531 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130422 1230338614 /nfs/dbraw/zinc/33/86/14/1230338614.db2.gz OVOSVPNWSBZJGR-PMACEKPBSA-N 2 1 345.531 2.465 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039168017 1230392035 /nfs/dbraw/zinc/39/20/35/1230392035.db2.gz JVTJOVJKEURYLK-HXUWFJFHSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039172663 1230398007 /nfs/dbraw/zinc/39/80/07/1230398007.db2.gz AYHIIIGXKPCDDB-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172663 1230398009 /nfs/dbraw/zinc/39/80/09/1230398009.db2.gz AYHIIIGXKPCDDB-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172663 1230398013 /nfs/dbraw/zinc/39/80/13/1230398013.db2.gz AYHIIIGXKPCDDB-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095934767 1230910389 /nfs/dbraw/zinc/91/03/89/1230910389.db2.gz UABMSLSRBHNJSH-NBMJBFSESA-N 2 1 342.487 2.442 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095934767 1230910392 /nfs/dbraw/zinc/91/03/92/1230910392.db2.gz UABMSLSRBHNJSH-NBMJBFSESA-N 2 1 342.487 2.442 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040207300 1231103292 /nfs/dbraw/zinc/10/32/92/1231103292.db2.gz CCNBRGUZMRQOHS-UYAOXDASSA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699940 1231340071 /nfs/dbraw/zinc/34/00/71/1231340071.db2.gz FNTDYSGROFLSJK-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001040727030 1231349504 /nfs/dbraw/zinc/34/95/04/1231349504.db2.gz NCVHQEDMYOTGHL-MRXNPFEDSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)CC1 ZINC001040847880 1231387060 /nfs/dbraw/zinc/38/70/60/1231387060.db2.gz BJQYAXLCQSYJQL-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300262 1231499009 /nfs/dbraw/zinc/49/90/09/1231499009.db2.gz GQMWSZFCSRLQPL-FXAWDEMLSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041300262 1231499012 /nfs/dbraw/zinc/49/90/12/1231499012.db2.gz GQMWSZFCSRLQPL-FXAWDEMLSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336102 1231511160 /nfs/dbraw/zinc/51/11/60/1231511160.db2.gz IVNPKDFDBBPBRF-LJQANCHMSA-N 2 1 345.512 2.371 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377729 1231523755 /nfs/dbraw/zinc/52/37/55/1231523755.db2.gz DYMLZMBQZNWQCB-DOTOQJQBSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377729 1231523757 /nfs/dbraw/zinc/52/37/57/1231523757.db2.gz DYMLZMBQZNWQCB-DOTOQJQBSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001041406584 1231533429 /nfs/dbraw/zinc/53/34/29/1231533429.db2.gz CFEGEUJBURRVPC-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041406584 1231533433 /nfs/dbraw/zinc/53/34/33/1231533433.db2.gz CFEGEUJBURRVPC-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041406584 1231533435 /nfs/dbraw/zinc/53/34/35/1231533435.db2.gz CFEGEUJBURRVPC-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041406584 1231533438 /nfs/dbraw/zinc/53/34/38/1231533438.db2.gz CFEGEUJBURRVPC-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432149 1231544432 /nfs/dbraw/zinc/54/44/32/1231544432.db2.gz OLUUBBGNEZOZKZ-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432149 1231544434 /nfs/dbraw/zinc/54/44/34/1231544434.db2.gz OLUUBBGNEZOZKZ-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432149 1231544436 /nfs/dbraw/zinc/54/44/36/1231544436.db2.gz OLUUBBGNEZOZKZ-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724350 1231662680 /nfs/dbraw/zinc/66/26/80/1231662680.db2.gz VLRLWSSGJAMNOZ-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041724350 1231662683 /nfs/dbraw/zinc/66/26/83/1231662683.db2.gz VLRLWSSGJAMNOZ-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041724350 1231662684 /nfs/dbraw/zinc/66/26/84/1231662684.db2.gz VLRLWSSGJAMNOZ-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042256436 1231986242 /nfs/dbraw/zinc/98/62/42/1231986242.db2.gz XDXXIZKIGMMMQB-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042256436 1231986245 /nfs/dbraw/zinc/98/62/45/1231986245.db2.gz XDXXIZKIGMMMQB-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCCC)[C@H]3C2)CC1 ZINC001042368216 1232050002 /nfs/dbraw/zinc/05/00/02/1232050002.db2.gz OVKZJCWIJQICNN-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N)C1CCC1 ZINC001045070474 1233483250 /nfs/dbraw/zinc/48/32/50/1233483250.db2.gz HHIUCCRYQHUKQA-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001046556600 1234935558 /nfs/dbraw/zinc/93/55/58/1234935558.db2.gz JOHZZIHIGABVDR-AZUAARDMSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001046556600 1234935560 /nfs/dbraw/zinc/93/55/60/1234935560.db2.gz JOHZZIHIGABVDR-AZUAARDMSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046556600 1234935562 /nfs/dbraw/zinc/93/55/62/1234935562.db2.gz JOHZZIHIGABVDR-AZUAARDMSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC=C(C)C)C3)CC1 ZINC001047209764 1235673415 /nfs/dbraw/zinc/67/34/15/1235673415.db2.gz WVFGKPLUBOGESX-IHPCNDPISA-N 2 1 343.515 2.267 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538559 1237909696 /nfs/dbraw/zinc/90/96/96/1237909696.db2.gz ZUKPDZIEAYBMFZ-OUUBHVDSSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048538559 1237909701 /nfs/dbraw/zinc/90/97/01/1237909701.db2.gz ZUKPDZIEAYBMFZ-OUUBHVDSSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048538559 1237909712 /nfs/dbraw/zinc/90/97/12/1237909712.db2.gz ZUKPDZIEAYBMFZ-OUUBHVDSSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574254 1237998630 /nfs/dbraw/zinc/99/86/30/1237998630.db2.gz TZEVJWOZDJJABX-UHZRXMQZSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048574254 1237998639 /nfs/dbraw/zinc/99/86/39/1237998639.db2.gz TZEVJWOZDJJABX-UHZRXMQZSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048574254 1237998651 /nfs/dbraw/zinc/99/86/51/1237998651.db2.gz TZEVJWOZDJJABX-UHZRXMQZSA-N 2 1 343.515 2.386 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821205 1238742370 /nfs/dbraw/zinc/74/23/70/1238742370.db2.gz VPHCZLNIMDNRBA-OKZBNKHCSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821205 1238742381 /nfs/dbraw/zinc/74/23/81/1238742381.db2.gz VPHCZLNIMDNRBA-OKZBNKHCSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821205 1238742392 /nfs/dbraw/zinc/74/23/92/1238742392.db2.gz VPHCZLNIMDNRBA-OKZBNKHCSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887613 1239143391 /nfs/dbraw/zinc/14/33/91/1239143391.db2.gz CZPCELQNVUMAKD-YVSFHVDLSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048887613 1239143398 /nfs/dbraw/zinc/14/33/98/1239143398.db2.gz CZPCELQNVUMAKD-YVSFHVDLSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048887613 1239143403 /nfs/dbraw/zinc/14/34/03/1239143403.db2.gz CZPCELQNVUMAKD-YVSFHVDLSA-N 2 1 337.895 2.146 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001049663810 1241813642 /nfs/dbraw/zinc/81/36/42/1241813642.db2.gz ODJPXUXNCWCCTQ-XUVXKRRUSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001049663810 1241813646 /nfs/dbraw/zinc/81/36/46/1241813646.db2.gz ODJPXUXNCWCCTQ-XUVXKRRUSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001049663810 1241813654 /nfs/dbraw/zinc/81/36/54/1241813654.db2.gz ODJPXUXNCWCCTQ-XUVXKRRUSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049845358 1242400473 /nfs/dbraw/zinc/40/04/73/1242400473.db2.gz XXGQICYYJVKYPI-VQTJNVASSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC=C(C)C)CC1 ZINC001049909345 1242656565 /nfs/dbraw/zinc/65/65/65/1242656565.db2.gz ADXJDIKONQSRJC-UXHICEINSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(C)C)CC1 ZINC001049917892 1242703936 /nfs/dbraw/zinc/70/39/36/1242703936.db2.gz JBGKNIQMTWFCHQ-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001050140745 1242965896 /nfs/dbraw/zinc/96/58/96/1242965896.db2.gz PCUPEEHHVPMGOW-ZIFCJYIRSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001050140745 1242965903 /nfs/dbraw/zinc/96/59/03/1242965903.db2.gz PCUPEEHHVPMGOW-ZIFCJYIRSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3cnc[nH]3)C2)CC1 ZINC001050694407 1244143645 /nfs/dbraw/zinc/14/36/45/1244143645.db2.gz YGIUYAULHSMNDK-MRXNPFEDSA-N 2 1 330.476 2.479 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313657 1245646367 /nfs/dbraw/zinc/64/63/67/1245646367.db2.gz HZOFSNJRDCHDKJ-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053042206 1245750022 /nfs/dbraw/zinc/75/00/22/1245750022.db2.gz ADYXBCDPGYSQIM-WOJBJXKFSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001101543075 1245945928 /nfs/dbraw/zinc/94/59/28/1245945928.db2.gz PLEHVVOPALBRFD-SJLPKXTDSA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448179 1247309321 /nfs/dbraw/zinc/30/93/21/1247309321.db2.gz WNQCUSOMRZLCMY-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448179 1247309334 /nfs/dbraw/zinc/30/93/34/1247309334.db2.gz WNQCUSOMRZLCMY-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448179 1247309346 /nfs/dbraw/zinc/30/93/46/1247309346.db2.gz WNQCUSOMRZLCMY-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054141594 1247505374 /nfs/dbraw/zinc/50/53/74/1247505374.db2.gz MPANBHZNFYJVEW-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141594 1247505386 /nfs/dbraw/zinc/50/53/86/1247505386.db2.gz MPANBHZNFYJVEW-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141594 1247505394 /nfs/dbraw/zinc/50/53/94/1247505394.db2.gz MPANBHZNFYJVEW-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054152807 1247541186 /nfs/dbraw/zinc/54/11/86/1247541186.db2.gz IEOMNVDUMIFNJX-FQEVSTJZSA-N 2 1 343.515 2.200 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209730 1247724648 /nfs/dbraw/zinc/72/46/48/1247724648.db2.gz WKZUGDGJKOYBPE-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209730 1247724653 /nfs/dbraw/zinc/72/46/53/1247724653.db2.gz WKZUGDGJKOYBPE-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209730 1247724661 /nfs/dbraw/zinc/72/46/61/1247724661.db2.gz WKZUGDGJKOYBPE-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245087 1247861921 /nfs/dbraw/zinc/86/19/21/1247861921.db2.gz OOIXFPCFXSAZCV-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071198755 1254045061 /nfs/dbraw/zinc/04/50/61/1254045061.db2.gz DLBRADNUUMBKAN-XLIONFOSSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071676553 1254496290 /nfs/dbraw/zinc/49/62/90/1254496290.db2.gz MVACXSUICREYSK-GJZGRUSLSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071676545 1254496654 /nfs/dbraw/zinc/49/66/54/1254496654.db2.gz MVACXSUICREYSK-CABCVRRESA-N 2 1 325.416 2.036 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071828788 1254690799 /nfs/dbraw/zinc/69/07/99/1254690799.db2.gz UHZXBSWSFYFINO-PXNSSMCTSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099268863 1258053260 /nfs/dbraw/zinc/05/32/60/1258053260.db2.gz QULDTAIAIIMDTK-IJLUTSLNSA-N 2 1 341.805 2.058 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001099552905 1258201922 /nfs/dbraw/zinc/20/19/22/1258201922.db2.gz QDWYCDWVLUXTJA-VJANTYMQSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099552905 1258201926 /nfs/dbraw/zinc/20/19/26/1258201926.db2.gz QDWYCDWVLUXTJA-VJANTYMQSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099552905 1258201931 /nfs/dbraw/zinc/20/19/31/1258201931.db2.gz QDWYCDWVLUXTJA-VJANTYMQSA-N 2 1 333.520 2.462 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001491221417 1258790118 /nfs/dbraw/zinc/79/01/18/1258790118.db2.gz GVHQNEUBZMESTH-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001491221417 1258790124 /nfs/dbraw/zinc/79/01/24/1258790124.db2.gz GVHQNEUBZMESTH-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001192036972 1281774323 /nfs/dbraw/zinc/77/43/23/1281774323.db2.gz DQPFSNXFKDSDMS-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001192036972 1281774335 /nfs/dbraw/zinc/77/43/35/1281774335.db2.gz DQPFSNXFKDSDMS-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001192342360 1281938283 /nfs/dbraw/zinc/93/82/83/1281938283.db2.gz DIMOFWNUPNNMMY-UYAOXDASSA-N 2 1 339.483 2.055 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001192342360 1281938284 /nfs/dbraw/zinc/93/82/84/1281938284.db2.gz DIMOFWNUPNNMMY-UYAOXDASSA-N 2 1 339.483 2.055 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001192342360 1281938288 /nfs/dbraw/zinc/93/82/88/1281938288.db2.gz DIMOFWNUPNNMMY-UYAOXDASSA-N 2 1 339.483 2.055 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001192342360 1281938289 /nfs/dbraw/zinc/93/82/89/1281938289.db2.gz DIMOFWNUPNNMMY-UYAOXDASSA-N 2 1 339.483 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC/C=C\CC)C2)CC1 ZINC001194246918 1282956814 /nfs/dbraw/zinc/95/68/14/1282956814.db2.gz SXAAOEGOKNYNOA-RURPWVQCSA-N 2 1 331.504 2.221 20 30 EEEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198983992 1285460211 /nfs/dbraw/zinc/46/02/11/1285460211.db2.gz LLBNOFLRQJCLMX-FUHWJXTLSA-N 2 1 345.487 2.360 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073634456 1297333296 /nfs/dbraw/zinc/33/32/96/1297333296.db2.gz SFLOMLFZJFHAMI-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001073634456 1297333310 /nfs/dbraw/zinc/33/33/10/1297333310.db2.gz SFLOMLFZJFHAMI-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001073634456 1297333320 /nfs/dbraw/zinc/33/33/20/1297333320.db2.gz SFLOMLFZJFHAMI-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258018 1298988390 /nfs/dbraw/zinc/98/83/90/1298988390.db2.gz NJKULSUIYLKGJQ-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C(F)(F)F ZINC001099345732 1299064324 /nfs/dbraw/zinc/06/43/24/1299064324.db2.gz QRIWMJAVNCZDOH-MCIONIFRSA-N 2 1 333.398 2.026 20 30 EEEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001099527167 1299189526 /nfs/dbraw/zinc/18/95/26/1299189526.db2.gz BXIFDXRIPKJFNS-VJANTYMQSA-N 2 1 345.531 2.156 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001099527167 1299189528 /nfs/dbraw/zinc/18/95/28/1299189528.db2.gz BXIFDXRIPKJFNS-VJANTYMQSA-N 2 1 345.531 2.156 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001099527167 1299189531 /nfs/dbraw/zinc/18/95/31/1299189531.db2.gz BXIFDXRIPKJFNS-VJANTYMQSA-N 2 1 345.531 2.156 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799404 1299867361 /nfs/dbraw/zinc/86/73/61/1299867361.db2.gz JAWPCDFDDZFNHC-PMPSAXMXSA-N 2 1 345.890 2.342 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799404 1299867368 /nfs/dbraw/zinc/86/73/68/1299867368.db2.gz JAWPCDFDDZFNHC-PMPSAXMXSA-N 2 1 345.890 2.342 20 30 EEEDMP C=CCCC[NH+]1CCC(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001223686941 1300226972 /nfs/dbraw/zinc/22/69/72/1300226972.db2.gz LADHLRCJQPGNIB-UHFFFAOYSA-N 2 1 334.464 2.144 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001223938206 1300339781 /nfs/dbraw/zinc/33/97/81/1300339781.db2.gz UMQJFUDFKQWJNJ-UHFFFAOYSA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507625 1301161152 /nfs/dbraw/zinc/16/11/52/1301161152.db2.gz HYYZOOQLMHVEEP-DBXWQHBBSA-N 2 1 341.499 2.171 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515044 1301169914 /nfs/dbraw/zinc/16/99/14/1301169914.db2.gz AJMIGPXYSGLHHW-HZPDHXFCSA-N 2 1 330.476 2.412 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515044 1301169919 /nfs/dbraw/zinc/16/99/19/1301169919.db2.gz AJMIGPXYSGLHHW-HZPDHXFCSA-N 2 1 330.476 2.412 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396778 1302905690 /nfs/dbraw/zinc/90/56/90/1302905690.db2.gz JHHXJSCWEXQISR-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP C[NH+](C)CCCCC(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001230090462 1303051713 /nfs/dbraw/zinc/05/17/13/1303051713.db2.gz LHJFHIHEMYVYEN-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001230113224 1303068893 /nfs/dbraw/zinc/06/88/93/1303068893.db2.gz YBEWTZRJCMJKNK-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001230113224 1303068896 /nfs/dbraw/zinc/06/88/96/1303068896.db2.gz YBEWTZRJCMJKNK-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001230307397 1303152916 /nfs/dbraw/zinc/15/29/16/1303152916.db2.gz WICFCLJLLKHIPN-SFHVURJKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001230307397 1303152917 /nfs/dbraw/zinc/15/29/17/1303152917.db2.gz WICFCLJLLKHIPN-SFHVURJKSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001230605199 1303310933 /nfs/dbraw/zinc/31/09/33/1303310933.db2.gz NBNGNMUKSWPERA-GOSISDBHSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230605199 1303310942 /nfs/dbraw/zinc/31/09/42/1303310942.db2.gz NBNGNMUKSWPERA-GOSISDBHSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230605199 1303310949 /nfs/dbraw/zinc/31/09/49/1303310949.db2.gz NBNGNMUKSWPERA-GOSISDBHSA-N 2 1 333.520 2.301 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)CC[NH+]1CCCCC1)Cc1cccnc1 ZINC001230932506 1303551336 /nfs/dbraw/zinc/55/13/36/1303551336.db2.gz XIDWYBVISVNOQR-UHFFFAOYSA-N 2 1 344.503 2.452 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001236434039 1305578181 /nfs/dbraw/zinc/57/81/81/1305578181.db2.gz NUKMZZVADYGIHI-UHFFFAOYSA-N 3 1 340.515 2.081 20 30 EEEDMP C=CCOCC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729515 1305679843 /nfs/dbraw/zinc/67/98/43/1305679843.db2.gz IYSVMHUVTAOMIM-QGZVFWFLSA-N 2 1 337.508 2.082 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001150386853 1316252863 /nfs/dbraw/zinc/25/28/63/1316252863.db2.gz SQXMASFOZJYSDX-QGZVFWFLSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001150386853 1316252866 /nfs/dbraw/zinc/25/28/66/1316252866.db2.gz SQXMASFOZJYSDX-QGZVFWFLSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480869 1316275890 /nfs/dbraw/zinc/27/58/90/1316275890.db2.gz QOVYPYMJTFGZRP-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150546770 1316296224 /nfs/dbraw/zinc/29/62/24/1316296224.db2.gz ICJNCJFIXWOWLG-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150546770 1316296227 /nfs/dbraw/zinc/29/62/27/1316296227.db2.gz ICJNCJFIXWOWLG-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150546770 1316296232 /nfs/dbraw/zinc/29/62/32/1316296232.db2.gz ICJNCJFIXWOWLG-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001150579102 1316304820 /nfs/dbraw/zinc/30/48/20/1316304820.db2.gz KCECUHMPJDNETR-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904165 1317377574 /nfs/dbraw/zinc/37/75/74/1317377574.db2.gz NGAAEWCLDWIJLC-MRXNPFEDSA-N 2 1 330.476 2.227 20 30 EEEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001252474020 1317612321 /nfs/dbraw/zinc/61/23/21/1317612321.db2.gz UYUHDYFAODIISD-VAMGGRTRSA-N 2 1 330.472 2.004 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252474020 1317612325 /nfs/dbraw/zinc/61/23/25/1317612325.db2.gz UYUHDYFAODIISD-VAMGGRTRSA-N 2 1 330.472 2.004 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252474020 1317612328 /nfs/dbraw/zinc/61/23/28/1317612328.db2.gz UYUHDYFAODIISD-VAMGGRTRSA-N 2 1 330.472 2.004 20 30 EEEDMP C=CCC[C@@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001252598769 1317644556 /nfs/dbraw/zinc/64/45/56/1317644556.db2.gz QUDHEOPYXWZHTG-GOSISDBHSA-N 2 1 332.492 2.054 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC001158030574 1318977585 /nfs/dbraw/zinc/97/75/85/1318977585.db2.gz UTTNBCCKKLMEJG-OALUTQOASA-N 2 1 340.471 2.029 20 30 EEEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001158481056 1319262906 /nfs/dbraw/zinc/26/29/06/1319262906.db2.gz WVLVSYCJLFTYHJ-HXUWFJFHSA-N 2 1 341.499 2.107 20 30 EEEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC001158481056 1319262915 /nfs/dbraw/zinc/26/29/15/1319262915.db2.gz WVLVSYCJLFTYHJ-HXUWFJFHSA-N 2 1 341.499 2.107 20 30 EEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC001158481056 1319262925 /nfs/dbraw/zinc/26/29/25/1319262925.db2.gz WVLVSYCJLFTYHJ-HXUWFJFHSA-N 2 1 341.499 2.107 20 30 EEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158914293 1319503860 /nfs/dbraw/zinc/50/38/60/1319503860.db2.gz MBIMGMHAXYAXFH-LJQANCHMSA-N 2 1 327.472 2.308 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160353547 1320143054 /nfs/dbraw/zinc/14/30/54/1320143054.db2.gz XFRZHAXWKDXMFR-KRWDZBQOSA-N 2 1 328.460 2.475 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160353547 1320143057 /nfs/dbraw/zinc/14/30/57/1320143057.db2.gz XFRZHAXWKDXMFR-KRWDZBQOSA-N 2 1 328.460 2.475 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](C[C@H](C)CC)CC1 ZINC001160386327 1320152251 /nfs/dbraw/zinc/15/22/51/1320152251.db2.gz TWLKTDKBQTYJPZ-MJGOQNOKSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](C[C@H](C)CC)CC1 ZINC001160386327 1320152255 /nfs/dbraw/zinc/15/22/55/1320152255.db2.gz TWLKTDKBQTYJPZ-MJGOQNOKSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C[C@H](C)CC)CC1 ZINC001160386327 1320152259 /nfs/dbraw/zinc/15/22/59/1320152259.db2.gz TWLKTDKBQTYJPZ-MJGOQNOKSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C[C@H](C)CC)CC1 ZINC001160386327 1320152260 /nfs/dbraw/zinc/15/22/60/1320152260.db2.gz TWLKTDKBQTYJPZ-MJGOQNOKSA-N 2 1 331.504 2.269 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001162928537 1320990360 /nfs/dbraw/zinc/99/03/60/1320990360.db2.gz JZQHTRUREPTOKZ-GOSISDBHSA-N 2 1 329.488 2.175 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001164449216 1321381858 /nfs/dbraw/zinc/38/18/58/1321381858.db2.gz DXVKOXHTZSSEBA-IBGZPJMESA-N 2 1 342.487 2.276 20 30 EEEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)CC1 ZINC001276477596 1322247224 /nfs/dbraw/zinc/24/72/24/1322247224.db2.gz OOYCRBPZBILLKY-AABGKKOBSA-N 2 1 333.520 2.236 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205325760 1322351584 /nfs/dbraw/zinc/35/15/84/1322351584.db2.gz GZRWNMYHWYWODM-RBUKOAKNSA-N 2 1 345.462 2.073 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC/C=C/CC)CC1 ZINC001205479713 1323154658 /nfs/dbraw/zinc/15/46/58/1323154658.db2.gz ULVGHYXFLVLTST-UEKDZROGSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC/C=C/CC)CC1 ZINC001205479713 1323154664 /nfs/dbraw/zinc/15/46/64/1323154664.db2.gz ULVGHYXFLVLTST-UEKDZROGSA-N 2 1 331.504 2.269 20 30 EEEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205518874 1323173995 /nfs/dbraw/zinc/17/39/95/1323173995.db2.gz NUXYLJKELHWTOG-OALUTQOASA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205678497 1323240313 /nfs/dbraw/zinc/24/03/13/1323240313.db2.gz KFWRWHRCZGVRJS-PKOBYXMFSA-N 2 1 345.462 2.075 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001206890255 1323673317 /nfs/dbraw/zinc/67/33/17/1323673317.db2.gz IPPAPZYJMLMJPA-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](C)C ZINC001207641400 1324062920 /nfs/dbraw/zinc/06/29/20/1324062920.db2.gz LANGWEZVXZZNAU-LZQZEXGQSA-N 2 1 342.487 2.081 20 30 EEEDMP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001339880328 1337089701 /nfs/dbraw/zinc/08/97/01/1337089701.db2.gz OFZFIXMLZWZNFX-HZPDHXFCSA-N 2 1 346.523 2.192 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076307 1337983615 /nfs/dbraw/zinc/98/36/15/1337983615.db2.gz JGZSDCKKFTUXCK-ROUUACIJSA-N 2 1 341.540 2.240 20 30 EEEDMP C=CCN(C)c1nnc(C2CC[NH2+]CC2)n1C[C@@H]1CCC[N@@H+]1CCC ZINC001574925120 1343712395 /nfs/dbraw/zinc/71/23/95/1343712395.db2.gz IDDZOACQBSHNAY-KRWDZBQOSA-N 2 1 346.523 2.242 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC001202146859 1368880967 /nfs/dbraw/zinc/88/09/67/1368880967.db2.gz CHIUFCKMDBOTTC-OALUTQOASA-N 2 1 345.487 2.073 20 30 EEEDMP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccccc1C#N ZINC001366717647 1374016640 /nfs/dbraw/zinc/01/66/40/1374016640.db2.gz POLOMTVNWBOLRA-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccccc1C#N ZINC001366717647 1374016641 /nfs/dbraw/zinc/01/66/41/1374016641.db2.gz POLOMTVNWBOLRA-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001372674642 1376131856 /nfs/dbraw/zinc/13/18/56/1376131856.db2.gz VFIHCAXVZLZQPF-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001372674642 1376131859 /nfs/dbraw/zinc/13/18/59/1376131859.db2.gz VFIHCAXVZLZQPF-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001372674642 1376131863 /nfs/dbraw/zinc/13/18/63/1376131863.db2.gz VFIHCAXVZLZQPF-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001376524531 1378574115 /nfs/dbraw/zinc/57/41/15/1378574115.db2.gz CWWNLFRJKGCSBZ-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001376680482 1378673609 /nfs/dbraw/zinc/67/36/09/1378673609.db2.gz XTUKRHOOFBSYPY-UHFFFAOYSA-N 2 1 342.487 2.417 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001393876965 1390571904 /nfs/dbraw/zinc/57/19/04/1390571904.db2.gz AOGIZHBRVQUEOP-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001401089941 1396926270 /nfs/dbraw/zinc/92/62/70/1396926270.db2.gz JSVFDOJPYWNABP-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001403395424 1399791251 /nfs/dbraw/zinc/79/12/51/1399791251.db2.gz JHLZAFNYQLNDBK-OAHLLOKOSA-N 2 1 345.890 2.343 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001403395424 1399791254 /nfs/dbraw/zinc/79/12/54/1399791254.db2.gz JHLZAFNYQLNDBK-OAHLLOKOSA-N 2 1 345.890 2.343 20 30 EEEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001755072019 1407081149 /nfs/dbraw/zinc/08/11/49/1407081149.db2.gz OYGQERPFGAOEPR-UHFFFAOYSA-N 2 1 330.476 2.391 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001424088271 1400907397 /nfs/dbraw/zinc/90/73/97/1400907397.db2.gz LILAOBJSHMYSFO-SHTZXODSSA-N 2 1 327.900 2.488 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C/C=C/c1ccccc1 ZINC001755302926 1407302690 /nfs/dbraw/zinc/30/26/90/1407302690.db2.gz HZVSGGOSJZDEQH-YBGNTVOFSA-N 2 1 339.483 2.234 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C/C=C/c1ccccc1 ZINC001755302926 1407302696 /nfs/dbraw/zinc/30/26/96/1407302696.db2.gz HZVSGGOSJZDEQH-YBGNTVOFSA-N 2 1 339.483 2.234 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)C/C=C/c1ccccc1 ZINC001755302926 1407302701 /nfs/dbraw/zinc/30/27/01/1407302701.db2.gz HZVSGGOSJZDEQH-YBGNTVOFSA-N 2 1 339.483 2.234 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)C/C=C/c1ccccc1 ZINC001755302926 1407302708 /nfs/dbraw/zinc/30/27/08/1407302708.db2.gz HZVSGGOSJZDEQH-YBGNTVOFSA-N 2 1 339.483 2.234 20 30 EEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001121245034 1410217896 /nfs/dbraw/zinc/21/78/96/1410217896.db2.gz BVBWHZOCQUNNCD-LDWRGQNGSA-N 2 1 328.460 2.354 20 30 EEEDMP C=CCCC[NH2+]C1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001100675643 1410692423 /nfs/dbraw/zinc/69/24/23/1410692423.db2.gz PWUPRLTWHOLJKA-UHFFFAOYSA-N 2 1 346.475 2.335 20 30 EEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001112397248 1410896540 /nfs/dbraw/zinc/89/65/40/1410896540.db2.gz YRHWXMZWMCSITC-HBFSDRIKSA-N 2 1 333.520 2.369 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730152 1411043566 /nfs/dbraw/zinc/04/35/66/1411043566.db2.gz DDHNBQPZZDEOPD-ZFWWWQNUSA-N 2 1 327.900 2.345 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104291167 758128662 /nfs/dbraw/zinc/12/86/62/758128662.db2.gz KPKOZEYWKHWTQG-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C(C)(C)[C@H]21 ZINC001087296343 761512754 /nfs/dbraw/zinc/51/27/54/761512754.db2.gz XRDQKAOSDIQBDV-SQNIBIBYSA-N 2 1 336.439 2.186 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CCC)[C@@H]3C2(C)C)CC1 ZINC001087317080 761613484 /nfs/dbraw/zinc/61/34/84/761613484.db2.gz CFLQZJZWHDWJHZ-QRVBRYPASA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415925 768912969 /nfs/dbraw/zinc/91/29/69/768912969.db2.gz FPMSTYAUYFVYSH-GOSISDBHSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)CC1 ZINC001040849745 770369571 /nfs/dbraw/zinc/36/95/71/770369571.db2.gz WBNMFSFQXRDJHZ-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108097387 783096443 /nfs/dbraw/zinc/09/64/43/783096443.db2.gz IFNUWEGNKMPKPS-UYAOXDASSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089652711 773850781 /nfs/dbraw/zinc/85/07/81/773850781.db2.gz KNXQZTWRHGLEPI-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980151546 773958184 /nfs/dbraw/zinc/95/81/84/773958184.db2.gz CYELDJFRWLLEDN-RYQLBKOJSA-N 2 1 343.471 2.195 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980236220 774139418 /nfs/dbraw/zinc/13/94/18/774139418.db2.gz BXJXSHHKPWLAOX-RCCFBDPRSA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980236220 774139423 /nfs/dbraw/zinc/13/94/23/774139423.db2.gz BXJXSHHKPWLAOX-RCCFBDPRSA-N 2 1 330.476 2.374 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@@H]12 ZINC000991778649 790448727 /nfs/dbraw/zinc/44/87/27/790448727.db2.gz GTWXUERLVGPVRD-UYAOXDASSA-N 2 1 349.438 2.017 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997641726 790511470 /nfs/dbraw/zinc/51/14/70/790511470.db2.gz JLDGBJZJEIPQCK-HOCLYGCPSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997641726 790511473 /nfs/dbraw/zinc/51/14/73/790511473.db2.gz JLDGBJZJEIPQCK-HOCLYGCPSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000981334712 777190660 /nfs/dbraw/zinc/19/06/60/777190660.db2.gz ODNWTOJWSIAWIV-GJZGRUSLSA-N 2 1 327.900 2.488 20 30 EEEDMP C=CCC[NH+]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957604 778657931 /nfs/dbraw/zinc/65/79/31/778657931.db2.gz NIBRKJKTTYKXKF-SFHVURJKSA-N 2 1 325.472 2.309 20 30 EEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957604 778657936 /nfs/dbraw/zinc/65/79/36/778657936.db2.gz NIBRKJKTTYKXKF-SFHVURJKSA-N 2 1 325.472 2.309 20 30 EEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957604 778657939 /nfs/dbraw/zinc/65/79/39/778657939.db2.gz NIBRKJKTTYKXKF-SFHVURJKSA-N 2 1 325.472 2.309 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@]2(C)C1 ZINC000982376385 779913565 /nfs/dbraw/zinc/91/35/65/779913565.db2.gz IZMLASFRHAEIPX-BGYRXZFFSA-N 2 1 342.487 2.118 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@]2(C)C1 ZINC000982376385 779913569 /nfs/dbraw/zinc/91/35/69/779913569.db2.gz IZMLASFRHAEIPX-BGYRXZFFSA-N 2 1 342.487 2.118 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087523021 781663693 /nfs/dbraw/zinc/66/36/93/781663693.db2.gz GQAORTXJKTZQKX-IPMKNSEASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087523021 781663703 /nfs/dbraw/zinc/66/37/03/781663703.db2.gz GQAORTXJKTZQKX-IPMKNSEASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087523021 781663712 /nfs/dbraw/zinc/66/37/12/781663712.db2.gz GQAORTXJKTZQKX-IPMKNSEASA-N 2 1 340.471 2.122 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942101078 781723384 /nfs/dbraw/zinc/72/33/84/781723384.db2.gz QIHCBDREBJYNTF-GDBMZVCRSA-N 2 1 333.501 2.273 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575044 783901384 /nfs/dbraw/zinc/90/13/84/783901384.db2.gz OMNINOIJEMVWLJ-RBUKOAKNSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575044 783901386 /nfs/dbraw/zinc/90/13/86/783901386.db2.gz OMNINOIJEMVWLJ-RBUKOAKNSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575044 783901389 /nfs/dbraw/zinc/90/13/89/783901389.db2.gz OMNINOIJEMVWLJ-RBUKOAKNSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035213625 784134201 /nfs/dbraw/zinc/13/42/01/784134201.db2.gz UFHSKXZCTKCULW-LJQANCHMSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035237401 784157848 /nfs/dbraw/zinc/15/78/48/784157848.db2.gz JQLVWSKZMWMWKF-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035237401 784157855 /nfs/dbraw/zinc/15/78/55/784157855.db2.gz JQLVWSKZMWMWKF-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035237401 784157862 /nfs/dbraw/zinc/15/78/62/784157862.db2.gz JQLVWSKZMWMWKF-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135857324 784638237 /nfs/dbraw/zinc/63/82/37/784638237.db2.gz GTRXGEZLBDCXDK-GJZGRUSLSA-N 2 1 348.466 2.412 20 30 EEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035705398 784986618 /nfs/dbraw/zinc/98/66/18/784986618.db2.gz AWXRYCKPRRFZKK-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNc1nc2ccccc2s1 ZINC000170906276 791135052 /nfs/dbraw/zinc/13/50/52/791135052.db2.gz FPKODACWCCFYAP-CYBMUJFWSA-N 2 1 346.504 2.097 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1 ZINC000995923497 785823833 /nfs/dbraw/zinc/82/38/33/785823833.db2.gz NVBWJOAGKQRJBJ-ZWKOTPCHSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1 ZINC000995923497 785823844 /nfs/dbraw/zinc/82/38/44/785823844.db2.gz NVBWJOAGKQRJBJ-ZWKOTPCHSA-N 2 1 345.531 2.347 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001127066874 788317123 /nfs/dbraw/zinc/31/71/23/788317123.db2.gz UHJOFXJMMGTQGS-GOSISDBHSA-N 2 1 347.890 2.270 20 30 EEEDMP C=CCC[C@@H](O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000923397303 789493450 /nfs/dbraw/zinc/49/34/50/789493450.db2.gz KWLVQSOSMNTUJV-QGZVFWFLSA-N 2 1 332.492 2.383 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCCC2)C1 ZINC001089910080 789918927 /nfs/dbraw/zinc/91/89/27/789918927.db2.gz YZBFMESIPIYBRC-QAETUUGQSA-N 2 1 337.895 2.004 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146590852 791360321 /nfs/dbraw/zinc/36/03/21/791360321.db2.gz CEMPJLRIXGALOY-HOTGVXAUSA-N 2 1 330.476 2.271 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001146593170 791363190 /nfs/dbraw/zinc/36/31/90/791363190.db2.gz OHKUUJCKXLMDDT-HUUCEWRRSA-N 2 1 348.466 2.410 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(F)(F)F ZINC001171307309 791851434 /nfs/dbraw/zinc/85/14/34/791851434.db2.gz HWYFFVAGIDYDNS-GJZGRUSLSA-N 2 1 347.425 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(F)(F)F ZINC001171307309 791851438 /nfs/dbraw/zinc/85/14/38/791851438.db2.gz HWYFFVAGIDYDNS-GJZGRUSLSA-N 2 1 347.425 2.301 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cc(CN(C)C)on2)CC1 ZINC000998043834 791874633 /nfs/dbraw/zinc/87/46/33/791874633.db2.gz BZKZTVSFJMEFCI-MRXNPFEDSA-N 2 1 346.475 2.076 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001147737091 791937582 /nfs/dbraw/zinc/93/75/82/791937582.db2.gz PVLFGVWCBJNVNU-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001147737091 791937586 /nfs/dbraw/zinc/93/75/86/791937586.db2.gz PVLFGVWCBJNVNU-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001147737091 791937590 /nfs/dbraw/zinc/93/75/90/791937590.db2.gz PVLFGVWCBJNVNU-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147737091 791937595 /nfs/dbraw/zinc/93/75/95/791937595.db2.gz PVLFGVWCBJNVNU-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147737091 791937597 /nfs/dbraw/zinc/93/75/97/791937597.db2.gz PVLFGVWCBJNVNU-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC000992172630 793056074 /nfs/dbraw/zinc/05/60/74/793056074.db2.gz ALAPOBFMGSCXLD-KVSKMBFKSA-N 2 1 328.460 2.053 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC000992172630 793056083 /nfs/dbraw/zinc/05/60/83/793056083.db2.gz ALAPOBFMGSCXLD-KVSKMBFKSA-N 2 1 328.460 2.053 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001032640923 793368813 /nfs/dbraw/zinc/36/88/13/793368813.db2.gz WORHNWSJRVDPHO-HAGHYFMRSA-N 2 1 339.483 2.193 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001032640923 793368819 /nfs/dbraw/zinc/36/88/19/793368819.db2.gz WORHNWSJRVDPHO-HAGHYFMRSA-N 2 1 339.483 2.193 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001032640923 793368828 /nfs/dbraw/zinc/36/88/28/793368828.db2.gz WORHNWSJRVDPHO-HAGHYFMRSA-N 2 1 339.483 2.193 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153151 793746495 /nfs/dbraw/zinc/74/64/95/793746495.db2.gz GSBVRRQELZVHTB-KRWDZBQOSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4ccnc4)cn3)CCC[C@@H]12 ZINC000992393126 793937629 /nfs/dbraw/zinc/93/76/29/793937629.db2.gz CDPPOPSSEIBZOS-QUCCMNQESA-N 2 1 349.438 2.017 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992400447 793964971 /nfs/dbraw/zinc/96/49/71/793964971.db2.gz DQLCHFIMNDAPSW-QUCCMNQESA-N 2 1 331.504 2.408 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676851 794223708 /nfs/dbraw/zinc/22/37/08/794223708.db2.gz MXUVANBKAQFMMN-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676851 794223710 /nfs/dbraw/zinc/22/37/10/794223710.db2.gz MXUVANBKAQFMMN-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676851 794223712 /nfs/dbraw/zinc/22/37/12/794223712.db2.gz MXUVANBKAQFMMN-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000999399874 794385227 /nfs/dbraw/zinc/38/52/27/794385227.db2.gz ILBFHRGZXFCDPU-JMLCCBQJSA-N 2 1 325.472 2.354 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC000999391931 794404428 /nfs/dbraw/zinc/40/44/28/794404428.db2.gz OBMZKKVNHWFZKJ-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC000999391931 794404431 /nfs/dbraw/zinc/40/44/31/794404431.db2.gz OBMZKKVNHWFZKJ-OALUTQOASA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992512501 794463017 /nfs/dbraw/zinc/46/30/17/794463017.db2.gz STRVBZQAWXECJM-UYAOXDASSA-N 2 1 325.456 2.108 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](CC)CC)o3)CCC[C@H]12 ZINC000992518792 794486466 /nfs/dbraw/zinc/48/64/66/794486466.db2.gz SMDMLAPUAOTUKT-ICSRJNTNSA-N 2 1 343.471 2.481 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC3CC(C)C3)C[C@H]2C)CC1 ZINC001093223668 794878348 /nfs/dbraw/zinc/87/83/48/794878348.db2.gz GHUMQTBYAYFJCD-CBJHCWRLSA-N 2 1 345.531 2.062 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC(C)C)C[C@H]2C)CC1 ZINC001093224140 794879309 /nfs/dbraw/zinc/87/93/09/794879309.db2.gz LRXGTDXVPCNSKC-IEBWSBKVSA-N 2 1 333.520 2.062 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992589 795245070 /nfs/dbraw/zinc/24/50/70/795245070.db2.gz ADPVOFXHBRDYGI-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079847497 795317407 /nfs/dbraw/zinc/31/74/07/795317407.db2.gz IQPOKRWOWRAHPG-QRQLOZEOSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001079847497 795317414 /nfs/dbraw/zinc/31/74/14/795317414.db2.gz IQPOKRWOWRAHPG-QRQLOZEOSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001079847497 795317418 /nfs/dbraw/zinc/31/74/18/795317418.db2.gz IQPOKRWOWRAHPG-QRQLOZEOSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574378 795862222 /nfs/dbraw/zinc/86/22/22/795862222.db2.gz HRNAVELCEIMQJY-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094497467 796290115 /nfs/dbraw/zinc/29/01/15/796290115.db2.gz ZMYAGUVRSXMDCZ-QKNQBKEWSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497467 796290120 /nfs/dbraw/zinc/29/01/20/796290120.db2.gz ZMYAGUVRSXMDCZ-QKNQBKEWSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497467 796290122 /nfs/dbraw/zinc/29/01/22/796290122.db2.gz ZMYAGUVRSXMDCZ-QKNQBKEWSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203453615 796386255 /nfs/dbraw/zinc/38/62/55/796386255.db2.gz UGWVOQGCFGOTJV-CVEARBPZSA-N 2 1 328.460 2.047 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902321 796439995 /nfs/dbraw/zinc/43/99/95/796439995.db2.gz IYXONHUYPABLMX-QUCCMNQESA-N 2 1 339.483 2.308 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902502 796440735 /nfs/dbraw/zinc/44/07/35/796440735.db2.gz LLWYTPJILQQRMG-WOJBJXKFSA-N 2 1 339.483 2.308 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726000 796886098 /nfs/dbraw/zinc/88/60/98/796886098.db2.gz QALHYNMPRPNJAR-GJZGRUSLSA-N 2 1 339.911 2.488 20 30 EEEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978439 797179027 /nfs/dbraw/zinc/17/90/27/797179027.db2.gz MAJVNSBQVNKCCB-WCVJEAGWSA-N 2 1 336.480 2.208 20 30 EEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978439 797179032 /nfs/dbraw/zinc/17/90/32/797179032.db2.gz MAJVNSBQVNKCCB-WCVJEAGWSA-N 2 1 336.480 2.208 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H](OC)C1 ZINC001082319654 797447212 /nfs/dbraw/zinc/44/72/12/797447212.db2.gz DHPUQRVHMKUSMP-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](OC)C1 ZINC001082319654 797447217 /nfs/dbraw/zinc/44/72/17/797447217.db2.gz DHPUQRVHMKUSMP-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](OC)C1 ZINC001082319654 797447220 /nfs/dbraw/zinc/44/72/20/797447220.db2.gz DHPUQRVHMKUSMP-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994462187 798043552 /nfs/dbraw/zinc/04/35/52/798043552.db2.gz KNRQMJRUEARQOJ-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)Cc1cnc[nH]1 ZINC001175477017 798117511 /nfs/dbraw/zinc/11/75/11/798117511.db2.gz CZMWCHBZFDIVBA-QGZVFWFLSA-N 2 1 338.455 2.269 20 30 EEEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178106225 799268828 /nfs/dbraw/zinc/26/88/28/799268828.db2.gz AGXXWDGOLYEPSF-GOSISDBHSA-N 2 1 339.524 2.330 20 30 EEEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178106225 799268831 /nfs/dbraw/zinc/26/88/31/799268831.db2.gz AGXXWDGOLYEPSF-GOSISDBHSA-N 2 1 339.524 2.330 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003229336 799397402 /nfs/dbraw/zinc/39/74/02/799397402.db2.gz FLPYFHJFQZZCRS-INIZCTEOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003229336 799397408 /nfs/dbraw/zinc/39/74/08/799397408.db2.gz FLPYFHJFQZZCRS-INIZCTEOSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001085646838 800954270 /nfs/dbraw/zinc/95/42/70/800954270.db2.gz RVTJWGSYIIABMV-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001085646838 800954272 /nfs/dbraw/zinc/95/42/72/800954272.db2.gz RVTJWGSYIIABMV-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CC2(CCC2)C1 ZINC001085646838 800954273 /nfs/dbraw/zinc/95/42/73/800954273.db2.gz RVTJWGSYIIABMV-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CC2(CCC2)C1 ZINC001085646838 800954274 /nfs/dbraw/zinc/95/42/74/800954274.db2.gz RVTJWGSYIIABMV-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCCF)CC1 ZINC001004457378 802118485 /nfs/dbraw/zinc/11/84/85/802118485.db2.gz KNKZLRVTVCIVFP-MOPGFXCFSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCF)CC1 ZINC001004457378 802118490 /nfs/dbraw/zinc/11/84/90/802118490.db2.gz KNKZLRVTVCIVFP-MOPGFXCFSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCCF)CC1 ZINC001004457378 802118494 /nfs/dbraw/zinc/11/84/94/802118494.db2.gz KNKZLRVTVCIVFP-MOPGFXCFSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCCF)CC1 ZINC001004457378 802118501 /nfs/dbraw/zinc/11/85/01/802118501.db2.gz KNKZLRVTVCIVFP-MOPGFXCFSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001004460845 802131538 /nfs/dbraw/zinc/13/15/38/802131538.db2.gz XIZZISVKSBKRMA-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004460845 802131542 /nfs/dbraw/zinc/13/15/42/802131542.db2.gz XIZZISVKSBKRMA-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001004460845 802131548 /nfs/dbraw/zinc/13/15/48/802131548.db2.gz XIZZISVKSBKRMA-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001004577078 802401555 /nfs/dbraw/zinc/40/15/55/802401555.db2.gz GPDBVCDCYZMNHV-GOSISDBHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001004577078 802401561 /nfs/dbraw/zinc/40/15/61/802401561.db2.gz GPDBVCDCYZMNHV-GOSISDBHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@@H+]3CCF)CC2)CC1 ZINC001004618140 802494778 /nfs/dbraw/zinc/49/47/78/802494778.db2.gz BLWPPRPMCUMSCI-LJQANCHMSA-N 2 1 349.494 2.004 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033197536 803044203 /nfs/dbraw/zinc/04/42/03/803044203.db2.gz IEJBGLJLBJBAAC-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033197536 803044211 /nfs/dbraw/zinc/04/42/11/803044211.db2.gz IEJBGLJLBJBAAC-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033197536 803044218 /nfs/dbraw/zinc/04/42/18/803044218.db2.gz IEJBGLJLBJBAAC-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419765 803510805 /nfs/dbraw/zinc/51/08/05/803510805.db2.gz QRFUWGIUTBADPU-IBGZPJMESA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001113265806 808602770 /nfs/dbraw/zinc/60/27/70/808602770.db2.gz BKXOVVBIPIFNCH-DOTOQJQBSA-N 2 1 330.476 2.253 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001129841833 811005077 /nfs/dbraw/zinc/00/50/77/811005077.db2.gz PTHUHPNAOCBWBZ-SFHVURJKSA-N 2 1 347.890 2.272 20 30 EEEDMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001438269088 1090751600 /nfs/dbraw/zinc/75/16/00/1090751600.db2.gz SVTHDNFSQSVGER-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001438269088 1090751602 /nfs/dbraw/zinc/75/16/02/1090751602.db2.gz SVTHDNFSQSVGER-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001438729089 1091266685 /nfs/dbraw/zinc/26/66/85/1091266685.db2.gz VCAKENSMTGUWCM-RBUKOAKNSA-N 2 1 342.487 2.273 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCC2)C1 ZINC001440339830 1093487119 /nfs/dbraw/zinc/48/71/19/1093487119.db2.gz NZBAZDYIRKJUTL-AWEZNQCLSA-N 2 1 346.500 2.090 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001443841065 1098354058 /nfs/dbraw/zinc/35/40/58/1098354058.db2.gz PHBRQHSGCKIVQF-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001443841065 1098354065 /nfs/dbraw/zinc/35/40/65/1098354065.db2.gz PHBRQHSGCKIVQF-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001443841065 1098354069 /nfs/dbraw/zinc/35/40/69/1098354069.db2.gz PHBRQHSGCKIVQF-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001447319645 1102441585 /nfs/dbraw/zinc/44/15/85/1102441585.db2.gz HTBDQZNGXSTAJC-MOPGFXCFSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001507129888 1115124097 /nfs/dbraw/zinc/12/40/97/1115124097.db2.gz YWXHOXWJFOBZDS-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP Cn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1C#N ZINC000191580726 239196899 /nfs/dbraw/zinc/19/68/99/239196899.db2.gz LOOQWMYXRDZIMA-LJQANCHMSA-N 2 1 338.455 2.143 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)[C@H]1CC ZINC001087630532 781976619 /nfs/dbraw/zinc/97/66/19/781976619.db2.gz NIEVXBRFPFQLQE-QILLFSRXSA-N 2 1 330.476 2.368 20 30 EEEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000130364673 462752573 /nfs/dbraw/zinc/75/25/73/462752573.db2.gz FKECGSGCHILYAE-SFHVURJKSA-N 2 1 328.456 2.289 20 30 EEEDMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N(CCC#N)c3ccccc3)CC[C@@H]21 ZINC000158779601 463251055 /nfs/dbraw/zinc/25/10/55/463251055.db2.gz YWMZMSKWHAPRCP-MJGOQNOKSA-N 2 1 340.471 2.349 20 30 EEEDMP C#CCNC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161193706 463409634 /nfs/dbraw/zinc/40/96/34/463409634.db2.gz ZHVAWGZYZDXXJS-MRXNPFEDSA-N 2 1 342.487 2.014 20 30 EEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261803801 463866316 /nfs/dbraw/zinc/86/63/16/463866316.db2.gz SAUHLQPFXHCOFG-GDBMZVCRSA-N 2 1 349.910 2.035 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1sccc1Br ZINC000262001145 463923409 /nfs/dbraw/zinc/92/34/09/463923409.db2.gz PVGMERNINRRXIQ-JTQLQIEISA-N 2 1 345.310 2.399 20 30 EEEDMP CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264791061 464467356 /nfs/dbraw/zinc/46/73/56/464467356.db2.gz HHJYPHZECLOCKY-LJQANCHMSA-N 2 1 345.535 2.076 20 30 EEEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000330274361 465595045 /nfs/dbraw/zinc/59/50/45/465595045.db2.gz JYSSJDYWEMLQEP-OAHLLOKOSA-N 2 1 331.464 2.062 20 30 EEEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000330274361 465595051 /nfs/dbraw/zinc/59/50/51/465595051.db2.gz JYSSJDYWEMLQEP-OAHLLOKOSA-N 2 1 331.464 2.062 20 30 EEEDMP N#CCCC[C@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000580309400 468474883 /nfs/dbraw/zinc/47/48/83/468474883.db2.gz VVCBWDDHCSNPDL-AWEZNQCLSA-N 2 1 335.477 2.479 20 30 EEEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000424156249 466992009 /nfs/dbraw/zinc/99/20/09/466992009.db2.gz OFHLBTYFLVRWHQ-GOEBONIOSA-N 2 1 334.489 2.097 20 30 EEEDMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000374172787 467022958 /nfs/dbraw/zinc/02/29/58/467022958.db2.gz LWTSRGNKQGQCBG-SFHVURJKSA-N 2 1 343.471 2.106 20 30 EEEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000562427953 468957884 /nfs/dbraw/zinc/95/78/84/468957884.db2.gz FJGJJHMFAJEDRN-MRXNPFEDSA-N 2 1 338.459 2.290 20 30 EEEDMP N#Cc1ncn(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000602654508 468990907 /nfs/dbraw/zinc/99/09/07/468990907.db2.gz MTPLTISVMMMBDV-AEFFLSMTSA-N 2 1 336.443 2.107 20 30 EEEDMP N#Cc1ncn(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000602654508 468990910 /nfs/dbraw/zinc/99/09/10/468990910.db2.gz MTPLTISVMMMBDV-AEFFLSMTSA-N 2 1 336.443 2.107 20 30 EEEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NCc1cccc(C#N)c1 ZINC000603109443 469267197 /nfs/dbraw/zinc/26/71/97/469267197.db2.gz BBVZBRYFUXMWLT-UHFFFAOYSA-N 2 1 342.487 2.372 20 30 EEEDMP C[C@H]([NH2+]C1CCN(CC#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611564139 469280745 /nfs/dbraw/zinc/28/07/45/469280745.db2.gz NGOBTFDOPDCZBB-PKOBYXMFSA-N 2 1 326.488 2.475 20 30 EEEDMP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000104158035 528196872 /nfs/dbraw/zinc/19/68/72/528196872.db2.gz NRWOFPXKDCIEPQ-IBGZPJMESA-N 3 1 345.535 2.417 20 30 EEEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)CC1 ZINC000131365027 528250902 /nfs/dbraw/zinc/25/09/02/528250902.db2.gz ZYZHNYVEUNDZEI-GOSISDBHSA-N 2 1 334.508 2.192 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000730097919 576714494 /nfs/dbraw/zinc/71/44/94/576714494.db2.gz PCYYLKPMCMBMMB-IBGZPJMESA-N 2 1 327.472 2.241 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000730097919 576714496 /nfs/dbraw/zinc/71/44/96/576714496.db2.gz PCYYLKPMCMBMMB-IBGZPJMESA-N 2 1 327.472 2.241 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000730097919 576714499 /nfs/dbraw/zinc/71/44/99/576714499.db2.gz PCYYLKPMCMBMMB-IBGZPJMESA-N 2 1 327.472 2.241 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000730097919 576714503 /nfs/dbraw/zinc/71/45/03/576714503.db2.gz PCYYLKPMCMBMMB-IBGZPJMESA-N 2 1 327.472 2.241 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000730106963 576716281 /nfs/dbraw/zinc/71/62/81/576716281.db2.gz WHXLAXIEZZGDDA-AEFFLSMTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000730106963 576716282 /nfs/dbraw/zinc/71/62/82/576716282.db2.gz WHXLAXIEZZGDDA-AEFFLSMTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000730106963 576716284 /nfs/dbraw/zinc/71/62/84/576716284.db2.gz WHXLAXIEZZGDDA-AEFFLSMTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000730106963 576716285 /nfs/dbraw/zinc/71/62/85/576716285.db2.gz WHXLAXIEZZGDDA-AEFFLSMTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039138976 675643095 /nfs/dbraw/zinc/64/30/95/675643095.db2.gz ZNKGTVYZMDSJLH-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420226 675867302 /nfs/dbraw/zinc/86/73/02/675867302.db2.gz MREGAZPJPZZHNK-HOCLYGCPSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682540 676338436 /nfs/dbraw/zinc/33/84/36/676338436.db2.gz RHAIRVWNMVYGLA-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC(=C)C)CC[C@@H]32)CC1 ZINC001021739682 676398502 /nfs/dbraw/zinc/39/85/02/676398502.db2.gz LWIDPWZXKYTSMU-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCCC)CC[C@H]32)CC1 ZINC001021740397 676399662 /nfs/dbraw/zinc/39/96/62/676399662.db2.gz SMXFXQIQZGXODX-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC000971734912 676766176 /nfs/dbraw/zinc/76/61/76/676766176.db2.gz IRZUKZYKGZAKDR-MOPGFXCFSA-N 2 1 342.487 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972372794 678620602 /nfs/dbraw/zinc/62/06/02/678620602.db2.gz DCNOGMQXDPRHNP-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972372794 678620604 /nfs/dbraw/zinc/62/06/04/678620604.db2.gz DCNOGMQXDPRHNP-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972372794 678620608 /nfs/dbraw/zinc/62/06/08/678620608.db2.gz DCNOGMQXDPRHNP-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026893880 685260117 /nfs/dbraw/zinc/26/01/17/685260117.db2.gz PPVAKFMORYNXOK-MOPGFXCFSA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026893880 685260118 /nfs/dbraw/zinc/26/01/18/685260118.db2.gz PPVAKFMORYNXOK-MOPGFXCFSA-N 2 1 329.488 2.023 20 30 EEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCS[C@@H](C(C)C)C2)C1 ZINC000261779249 681187408 /nfs/dbraw/zinc/18/74/08/681187408.db2.gz PBAOZHWUPLEDSI-HZPDHXFCSA-N 2 1 326.554 2.367 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982833416 681356305 /nfs/dbraw/zinc/35/63/05/681356305.db2.gz KHENMGUESMGZAO-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814638 681462226 /nfs/dbraw/zinc/46/22/26/681462226.db2.gz UTQMFWQIVFQZPW-SFHVURJKSA-N 2 1 327.472 2.356 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Br)s1 ZINC000261969629 682697315 /nfs/dbraw/zinc/69/73/15/682697315.db2.gz CQWYUGYUHLSMPA-SNVBAGLBSA-N 2 1 345.310 2.399 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC000992746404 683362209 /nfs/dbraw/zinc/36/22/09/683362209.db2.gz WPMCTGQOFSOTCD-YTQUADARSA-N 2 1 345.531 2.489 20 30 EEEDMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929846425 683960542 /nfs/dbraw/zinc/96/05/42/683960542.db2.gz FBXBPMLQDZLBJU-KRWDZBQOSA-N 2 1 332.492 2.089 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929846425 683960545 /nfs/dbraw/zinc/96/05/45/683960545.db2.gz FBXBPMLQDZLBJU-KRWDZBQOSA-N 2 1 332.492 2.089 20 30 EEEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027682173 693950325 /nfs/dbraw/zinc/95/03/25/693950325.db2.gz LEKCPYCGLXBABN-IBGZPJMESA-N 2 1 340.471 2.077 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027332421 687514641 /nfs/dbraw/zinc/51/46/41/687514641.db2.gz OZOXLSHKSUSYFL-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027332421 687514647 /nfs/dbraw/zinc/51/46/47/687514647.db2.gz OZOXLSHKSUSYFL-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027333501 687519338 /nfs/dbraw/zinc/51/93/38/687519338.db2.gz WXXIRBYFKBPYNC-RHSMWYFYSA-N 2 1 346.500 2.137 20 30 EEEDMP C#CCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000989774982 692292960 /nfs/dbraw/zinc/29/29/60/692292960.db2.gz JOQAAOSRQOZKGC-UHFFFAOYSA-N 2 1 331.460 2.293 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027478386 692314249 /nfs/dbraw/zinc/31/42/49/692314249.db2.gz SLJPEUWWPKHNFZ-OAHLLOKOSA-N 2 1 325.884 2.290 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027478386 692314254 /nfs/dbraw/zinc/31/42/54/692314254.db2.gz SLJPEUWWPKHNFZ-OAHLLOKOSA-N 2 1 325.884 2.290 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C(C)(C)C1 ZINC000977450038 692635936 /nfs/dbraw/zinc/63/59/36/692635936.db2.gz NCOTVYOSXBWZRV-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C(C)(C)C1 ZINC000977450038 692635939 /nfs/dbraw/zinc/63/59/39/692635939.db2.gz NCOTVYOSXBWZRV-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977450038 692635940 /nfs/dbraw/zinc/63/59/40/692635940.db2.gz NCOTVYOSXBWZRV-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977450038 692635941 /nfs/dbraw/zinc/63/59/41/692635941.db2.gz NCOTVYOSXBWZRV-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC000995554350 1193145568 /nfs/dbraw/zinc/14/55/68/1193145568.db2.gz WPOAEPISFQDVSF-HZPDHXFCSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)C)C[C@H]2C)CC1 ZINC000945179427 1193414761 /nfs/dbraw/zinc/41/47/61/1193414761.db2.gz IVHBEEJNZSQQTR-MJGOQNOKSA-N 2 1 333.520 2.204 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)[C@@H]2C)CC[N@@H+]1C ZINC001088577664 1187513683 /nfs/dbraw/zinc/51/36/83/1187513683.db2.gz IDJORAOYFRQBQN-KFZJALRRSA-N 2 1 346.500 2.039 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)[C@@H]2C)CC[N@H+]1C ZINC001088577664 1187513685 /nfs/dbraw/zinc/51/36/85/1187513685.db2.gz IDJORAOYFRQBQN-KFZJALRRSA-N 2 1 346.500 2.039 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)[C@@H]2C)CC[NH+]1C ZINC001088577664 1187513686 /nfs/dbraw/zinc/51/36/86/1187513686.db2.gz IDJORAOYFRQBQN-KFZJALRRSA-N 2 1 346.500 2.039 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)[C@@H]2C)CC[NH+]1C ZINC001088577664 1187513688 /nfs/dbraw/zinc/51/36/88/1187513688.db2.gz IDJORAOYFRQBQN-KFZJALRRSA-N 2 1 346.500 2.039 20 30 EEEDMP N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001272807619 1193522899 /nfs/dbraw/zinc/52/28/99/1193522899.db2.gz CNQOWGOALFTSCG-UHFFFAOYSA-N 2 1 341.459 2.003 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105518507 1188135877 /nfs/dbraw/zinc/13/58/77/1188135877.db2.gz ZWEWMLNVBHCQMV-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576480 1188190554 /nfs/dbraw/zinc/19/05/54/1188190554.db2.gz FHRVPTDMLBKJEK-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001088737156 1188397952 /nfs/dbraw/zinc/39/79/52/1188397952.db2.gz DQQWOTAYXNEBJW-ZBFHGGJFSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033954274 1195556035 /nfs/dbraw/zinc/55/60/35/1195556035.db2.gz RCHABTYTNKSAMM-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033954274 1195556039 /nfs/dbraw/zinc/55/60/39/1195556039.db2.gz RCHABTYTNKSAMM-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034240419 1195990751 /nfs/dbraw/zinc/99/07/51/1195990751.db2.gz IEQXIVIHTFFDJV-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034240419 1195990752 /nfs/dbraw/zinc/99/07/52/1195990752.db2.gz IEQXIVIHTFFDJV-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034240419 1195990754 /nfs/dbraw/zinc/99/07/54/1195990754.db2.gz IEQXIVIHTFFDJV-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367576 1196135816 /nfs/dbraw/zinc/13/58/16/1196135816.db2.gz FSQMJBKRFZKYLN-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367576 1196135818 /nfs/dbraw/zinc/13/58/18/1196135818.db2.gz FSQMJBKRFZKYLN-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034367576 1196135820 /nfs/dbraw/zinc/13/58/20/1196135820.db2.gz FSQMJBKRFZKYLN-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034367576 1196135822 /nfs/dbraw/zinc/13/58/22/1196135822.db2.gz FSQMJBKRFZKYLN-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001086720866 1199446321 /nfs/dbraw/zinc/44/63/21/1199446321.db2.gz SFQOVHVPJCXZER-ZCNNSNEGSA-N 2 1 339.483 2.159 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001086720866 1199446326 /nfs/dbraw/zinc/44/63/26/1199446326.db2.gz SFQOVHVPJCXZER-ZCNNSNEGSA-N 2 1 339.483 2.159 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1cccc(C#N)c1 ZINC001132266755 1199505853 /nfs/dbraw/zinc/50/58/53/1199505853.db2.gz ZQKXQEPGDMHCQP-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132409811 1199676434 /nfs/dbraw/zinc/67/64/34/1199676434.db2.gz FIIZTINEHDIQIV-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132409811 1199676436 /nfs/dbraw/zinc/67/64/36/1199676436.db2.gz FIIZTINEHDIQIV-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001132409811 1199676437 /nfs/dbraw/zinc/67/64/37/1199676437.db2.gz FIIZTINEHDIQIV-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001132409811 1199676438 /nfs/dbraw/zinc/67/64/38/1199676438.db2.gz FIIZTINEHDIQIV-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133360859 1200782681 /nfs/dbraw/zinc/78/26/81/1200782681.db2.gz QFXBALFLBXDEPT-PKOBYXMFSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001133360859 1200782685 /nfs/dbraw/zinc/78/26/85/1200782685.db2.gz QFXBALFLBXDEPT-PKOBYXMFSA-N 2 1 329.488 2.379 20 30 EEEDMP C[NH+](C)CCN1C(=O)C2(CC[NH+](CCC#N)CC2)[C@H]1c1ccccc1 ZINC001274031032 1204336922 /nfs/dbraw/zinc/33/69/22/1204336922.db2.gz FTDIGCYCUNCAAZ-GOSISDBHSA-N 2 1 340.471 2.127 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC(F)(F)F ZINC000104158614 1204610599 /nfs/dbraw/zinc/61/05/99/1204610599.db2.gz JIWSLJOZZGRMTJ-ZDUSSCGKSA-N 2 1 344.381 2.474 20 30 EEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001276090899 1205775069 /nfs/dbraw/zinc/77/50/69/1205775069.db2.gz HMUQUDXEBXZBOH-AZUAARDMSA-N 2 1 329.488 2.319 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948717129 1209322644 /nfs/dbraw/zinc/32/26/44/1209322644.db2.gz MWXYSYLEBOORFV-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948717129 1209322647 /nfs/dbraw/zinc/32/26/47/1209322647.db2.gz MWXYSYLEBOORFV-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000952300290 1211342796 /nfs/dbraw/zinc/34/27/96/1211342796.db2.gz PXHGSDHWVARAQT-UXHICEINSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000952300290 1211342798 /nfs/dbraw/zinc/34/27/98/1211342798.db2.gz PXHGSDHWVARAQT-UXHICEINSA-N 2 1 341.499 2.441 20 30 EEEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCCC1 ZINC000303782707 1213905447 /nfs/dbraw/zinc/90/54/47/1213905447.db2.gz NMKNVSHSCAKAPW-MRXNPFEDSA-N 2 1 348.516 2.196 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603432 1215248394 /nfs/dbraw/zinc/24/83/94/1215248394.db2.gz SDPCVGYLYOKEMR-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095903837 1215791294 /nfs/dbraw/zinc/79/12/94/1215791294.db2.gz NPNPGNRRLDAMHI-XWSJACJDSA-N 2 1 329.488 2.138 20 30 EEEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095903837 1215791296 /nfs/dbraw/zinc/79/12/96/1215791296.db2.gz NPNPGNRRLDAMHI-XWSJACJDSA-N 2 1 329.488 2.138 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095903837 1215791297 /nfs/dbraw/zinc/79/12/97/1215791297.db2.gz NPNPGNRRLDAMHI-XWSJACJDSA-N 2 1 329.488 2.138 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095903837 1215791300 /nfs/dbraw/zinc/79/13/00/1215791300.db2.gz NPNPGNRRLDAMHI-XWSJACJDSA-N 2 1 329.488 2.138 20 30 EEEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230558 1217099680 /nfs/dbraw/zinc/09/96/80/1217099680.db2.gz KWAIBJAAFXSWOD-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230558 1217099683 /nfs/dbraw/zinc/09/96/83/1217099683.db2.gz KWAIBJAAFXSWOD-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279505 1217125130 /nfs/dbraw/zinc/12/51/30/1217125130.db2.gz DXWAQAHESASNKV-QZTJIDSGSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279505 1217125133 /nfs/dbraw/zinc/12/51/33/1217125133.db2.gz DXWAQAHESASNKV-QZTJIDSGSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961375588 1217164087 /nfs/dbraw/zinc/16/40/87/1217164087.db2.gz PAIMGGGXFDDPII-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961375588 1217164089 /nfs/dbraw/zinc/16/40/89/1217164089.db2.gz PAIMGGGXFDDPII-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961375588 1217164092 /nfs/dbraw/zinc/16/40/92/1217164092.db2.gz PAIMGGGXFDDPII-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337103 1217531320 /nfs/dbraw/zinc/53/13/20/1217531320.db2.gz KTOCKEANZWYYQJ-QZTJIDSGSA-N 2 1 342.487 2.079 20 30 EEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)c3cc(C[NH+]4CCCC4)on3)C2)C1 ZINC000965091808 1218886357 /nfs/dbraw/zinc/88/63/57/1218886357.db2.gz FYJNDYPNKOMDCM-UHFFFAOYSA-N 2 1 344.459 2.087 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968887677 1221647207 /nfs/dbraw/zinc/64/72/07/1221647207.db2.gz JSQDRQPNIOILJI-MOPGFXCFSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000968887677 1221647208 /nfs/dbraw/zinc/64/72/08/1221647208.db2.gz JSQDRQPNIOILJI-MOPGFXCFSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000968887677 1221647210 /nfs/dbraw/zinc/64/72/10/1221647210.db2.gz JSQDRQPNIOILJI-MOPGFXCFSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000968915804 1221667127 /nfs/dbraw/zinc/66/71/27/1221667127.db2.gz RCRHGLHHYFHDDI-GDBMZVCRSA-N 2 1 325.884 2.336 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001008532464 1222909802 /nfs/dbraw/zinc/90/98/02/1222909802.db2.gz OFPHMMCVCCYRHO-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001008532464 1222909805 /nfs/dbraw/zinc/90/98/05/1222909805.db2.gz OFPHMMCVCCYRHO-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001008532464 1222909809 /nfs/dbraw/zinc/90/98/09/1222909809.db2.gz OFPHMMCVCCYRHO-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001008532464 1222909812 /nfs/dbraw/zinc/90/98/12/1222909812.db2.gz OFPHMMCVCCYRHO-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039134187 1230345097 /nfs/dbraw/zinc/34/50/97/1230345097.db2.gz XSLYDPBDCSRZLW-BHIYHBOVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039134187 1230345100 /nfs/dbraw/zinc/34/51/00/1230345100.db2.gz XSLYDPBDCSRZLW-BHIYHBOVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039134187 1230345103 /nfs/dbraw/zinc/34/51/03/1230345103.db2.gz XSLYDPBDCSRZLW-BHIYHBOVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039174249 1230400727 /nfs/dbraw/zinc/40/07/27/1230400727.db2.gz PTNYMBSUMVZFHC-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174249 1230400729 /nfs/dbraw/zinc/40/07/29/1230400729.db2.gz PTNYMBSUMVZFHC-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174249 1230400732 /nfs/dbraw/zinc/40/07/32/1230400732.db2.gz PTNYMBSUMVZFHC-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039282791 1230507538 /nfs/dbraw/zinc/50/75/38/1230507538.db2.gz UXWPYPOJIVACBM-XVLXNVKGSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039313666 1230522131 /nfs/dbraw/zinc/52/21/31/1230522131.db2.gz IRRCCESEKQQDRA-NXEWRWPSSA-N 2 1 339.483 2.424 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377350 1230562846 /nfs/dbraw/zinc/56/28/46/1230562846.db2.gz SXMYCBDHZRVASS-KURKYZTESA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377350 1230562848 /nfs/dbraw/zinc/56/28/48/1230562848.db2.gz SXMYCBDHZRVASS-KURKYZTESA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040349179 1231181417 /nfs/dbraw/zinc/18/14/17/1231181417.db2.gz WMUDSZGWWBRRHU-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349179 1231181418 /nfs/dbraw/zinc/18/14/18/1231181418.db2.gz WMUDSZGWWBRRHU-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349179 1231181420 /nfs/dbraw/zinc/18/14/20/1231181420.db2.gz WMUDSZGWWBRRHU-FPOVZHCZSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040394893 1231205930 /nfs/dbraw/zinc/20/59/30/1231205930.db2.gz MEWNFUKVYYPXSP-CRAIPNDOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040394893 1231205933 /nfs/dbraw/zinc/20/59/33/1231205933.db2.gz MEWNFUKVYYPXSP-CRAIPNDOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040394893 1231205934 /nfs/dbraw/zinc/20/59/34/1231205934.db2.gz MEWNFUKVYYPXSP-CRAIPNDOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040394893 1231205936 /nfs/dbraw/zinc/20/59/36/1231205936.db2.gz MEWNFUKVYYPXSP-CRAIPNDOSA-N 2 1 339.911 2.395 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336008 1231510999 /nfs/dbraw/zinc/51/09/99/1231510999.db2.gz GKTFFLQWSUUXRY-LJQANCHMSA-N 2 1 345.512 2.371 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001041477638 1231559580 /nfs/dbraw/zinc/55/95/80/1231559580.db2.gz BCIKAGJTXQHPPS-HXUWFJFHSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001041477638 1231559582 /nfs/dbraw/zinc/55/95/82/1231559582.db2.gz BCIKAGJTXQHPPS-HXUWFJFHSA-N 2 1 342.487 2.262 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268418 1231993893 /nfs/dbraw/zinc/99/38/93/1231993893.db2.gz CZVMYDDZFFSTCR-ICSRJNTNSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001046849806 1235247458 /nfs/dbraw/zinc/24/74/58/1235247458.db2.gz JJAADAALBRITQJ-NRFANRHFSA-N 2 1 343.515 2.413 20 30 EEEDMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046965881 1235366341 /nfs/dbraw/zinc/36/63/41/1235366341.db2.gz FBMZDTGMYRYTNW-JYJNAYRXSA-N 2 1 343.462 2.366 20 30 EEEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046965881 1235366348 /nfs/dbraw/zinc/36/63/48/1235366348.db2.gz FBMZDTGMYRYTNW-JYJNAYRXSA-N 2 1 343.462 2.366 20 30 EEEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046965881 1235366352 /nfs/dbraw/zinc/36/63/52/1235366352.db2.gz FBMZDTGMYRYTNW-JYJNAYRXSA-N 2 1 343.462 2.366 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257825 1235763045 /nfs/dbraw/zinc/76/30/45/1235763045.db2.gz UWPPXXYRUWCAKG-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001047265974 1235779772 /nfs/dbraw/zinc/77/97/72/1235779772.db2.gz NATNIHCOXWHPCK-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049001547 1239711905 /nfs/dbraw/zinc/71/19/05/1239711905.db2.gz YOUWANVUIIOWRJ-GBESFXJTSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001547 1239711911 /nfs/dbraw/zinc/71/19/11/1239711911.db2.gz YOUWANVUIIOWRJ-GBESFXJTSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001547 1239711917 /nfs/dbraw/zinc/71/19/17/1239711917.db2.gz YOUWANVUIIOWRJ-GBESFXJTSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094997 1239983798 /nfs/dbraw/zinc/98/37/98/1239983798.db2.gz SGELTMXTKSOYPL-ZACQAIPSSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC001000249981 1240099563 /nfs/dbraw/zinc/09/95/63/1240099563.db2.gz VUKGGEOSXPJRCU-SFHVURJKSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC001000249981 1240099569 /nfs/dbraw/zinc/09/95/69/1240099569.db2.gz VUKGGEOSXPJRCU-SFHVURJKSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001049160716 1240153050 /nfs/dbraw/zinc/15/30/50/1240153050.db2.gz HWSBUYAVVAAFOI-KDURUIRLSA-N 2 1 331.504 2.075 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001000786936 1240937722 /nfs/dbraw/zinc/93/77/22/1240937722.db2.gz DHBLNMGIWZYZBN-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001000786936 1240937725 /nfs/dbraw/zinc/93/77/25/1240937725.db2.gz DHBLNMGIWZYZBN-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001000786936 1240937731 /nfs/dbraw/zinc/93/77/31/1240937731.db2.gz DHBLNMGIWZYZBN-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001000786936 1240937735 /nfs/dbraw/zinc/93/77/35/1240937735.db2.gz DHBLNMGIWZYZBN-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478357 1241074914 /nfs/dbraw/zinc/07/49/14/1241074914.db2.gz NEFQHEPITZVWTB-BRWVUGGUSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478357 1241074929 /nfs/dbraw/zinc/07/49/29/1241074929.db2.gz NEFQHEPITZVWTB-BRWVUGGUSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001049671751 1241836132 /nfs/dbraw/zinc/83/61/32/1241836132.db2.gz HVPWPWQIHHKLBM-IPMKNSEASA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001049671751 1241836138 /nfs/dbraw/zinc/83/61/38/1241836138.db2.gz HVPWPWQIHHKLBM-IPMKNSEASA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001049671751 1241836142 /nfs/dbraw/zinc/83/61/42/1241836142.db2.gz HVPWPWQIHHKLBM-IPMKNSEASA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001049671751 1241836149 /nfs/dbraw/zinc/83/61/49/1241836149.db2.gz HVPWPWQIHHKLBM-IPMKNSEASA-N 2 1 349.519 2.127 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001049673788 1241843030 /nfs/dbraw/zinc/84/30/30/1241843030.db2.gz ZOBIZPMYFPPRNZ-CGTJXYLNSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001049673788 1241843035 /nfs/dbraw/zinc/84/30/35/1241843035.db2.gz ZOBIZPMYFPPRNZ-CGTJXYLNSA-N 2 1 328.460 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049692199 1241891630 /nfs/dbraw/zinc/89/16/30/1241891630.db2.gz DNMSEDFAWCXJGR-JKSUJKDBSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049692199 1241891638 /nfs/dbraw/zinc/89/16/38/1241891638.db2.gz DNMSEDFAWCXJGR-JKSUJKDBSA-N 2 1 325.884 2.146 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(C)C)CC1 ZINC001049917894 1242704051 /nfs/dbraw/zinc/70/40/51/1242704051.db2.gz JBGKNIQMTWFCHQ-RBUKOAKNSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCC2CC2)CC1 ZINC001049922321 1242722738 /nfs/dbraw/zinc/72/27/38/1242722738.db2.gz YTHKXGSOYCPVPC-PMACEKPBSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001050207236 1243121887 /nfs/dbraw/zinc/12/18/87/1243121887.db2.gz HCPIHYGOBLLZQZ-VQTJNVASSA-N 2 1 339.483 2.308 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC1 ZINC001050575810 1243872557 /nfs/dbraw/zinc/87/25/57/1243872557.db2.gz IVQCLKZVIXHOSI-UHFFFAOYSA-N 2 1 346.475 2.240 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097737634 1244548498 /nfs/dbraw/zinc/54/84/98/1244548498.db2.gz RFLAQVSDCGQGMZ-AHCXZYCDSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097737634 1244548505 /nfs/dbraw/zinc/54/85/05/1244548505.db2.gz RFLAQVSDCGQGMZ-AHCXZYCDSA-N 2 1 328.460 2.052 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701487 1244783693 /nfs/dbraw/zinc/78/36/93/1244783693.db2.gz FPNQQMZAKUSXAH-APWZRJJASA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052701487 1244783695 /nfs/dbraw/zinc/78/36/95/1244783695.db2.gz FPNQQMZAKUSXAH-APWZRJJASA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052701487 1244783698 /nfs/dbraw/zinc/78/36/98/1244783698.db2.gz FPNQQMZAKUSXAH-APWZRJJASA-N 2 1 337.483 2.193 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053101392 1245909516 /nfs/dbraw/zinc/90/95/16/1245909516.db2.gz NJZSZJHKDDQQNZ-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160018 1247565659 /nfs/dbraw/zinc/56/56/59/1247565659.db2.gz SRBFWRGNMAIEFV-HXUWFJFHSA-N 2 1 336.439 2.286 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054245532 1247860288 /nfs/dbraw/zinc/86/02/88/1247860288.db2.gz VDWRXNJZNQVTMR-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245532 1247860302 /nfs/dbraw/zinc/86/03/02/1247860302.db2.gz VDWRXNJZNQVTMR-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245532 1247860309 /nfs/dbraw/zinc/86/03/09/1247860309.db2.gz VDWRXNJZNQVTMR-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001135436839 1278318999 /nfs/dbraw/zinc/31/89/99/1278318999.db2.gz BSXYAKNVZMRAPR-UHFFFAOYSA-N 2 1 347.478 2.395 20 30 EEEDMP C=CCc1c(F)c(F)c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c(F)c1F ZINC001186737334 1279206864 /nfs/dbraw/zinc/20/68/64/1279206864.db2.gz JZOBUCVXCHNFOG-UHFFFAOYSA-N 2 1 346.328 2.046 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001190818098 1281090298 /nfs/dbraw/zinc/09/02/98/1281090298.db2.gz OBTPGNDOPLUPDE-ROUUACIJSA-N 2 1 348.491 2.206 20 30 EEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989520 1281736306 /nfs/dbraw/zinc/73/63/06/1281736306.db2.gz YGJPFGQFMMWUEB-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989520 1281736311 /nfs/dbraw/zinc/73/63/11/1281736311.db2.gz YGJPFGQFMMWUEB-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC/C=C\CC)C2)CC1 ZINC001194246915 1282956864 /nfs/dbraw/zinc/95/68/64/1282956864.db2.gz SXAAOEGOKNYNOA-LIXSYLKWSA-N 2 1 331.504 2.221 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201558386 1289665197 /nfs/dbraw/zinc/66/51/97/1289665197.db2.gz OCGRUDQEADQUTN-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110616735 1291638723 /nfs/dbraw/zinc/63/87/23/1291638723.db2.gz OWDYYMHTKJZSFB-VQHPVUNQSA-N 2 1 325.472 2.354 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921741 1296223233 /nfs/dbraw/zinc/22/32/33/1296223233.db2.gz JKVRCTLLJYIUOI-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCC=C)C1 ZINC001214879042 1296634278 /nfs/dbraw/zinc/63/42/78/1296634278.db2.gz MWFBOHVEVFLUMQ-QRVBRYPASA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCC=C)C1 ZINC001214879042 1296634293 /nfs/dbraw/zinc/63/42/93/1296634293.db2.gz MWFBOHVEVFLUMQ-QRVBRYPASA-N 2 1 331.504 2.267 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099100968 1298895145 /nfs/dbraw/zinc/89/51/45/1298895145.db2.gz AQILYVMSIYJVPD-ICSRJNTNSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)N(C)CC)[C@@H]2C1 ZINC001221942428 1299213558 /nfs/dbraw/zinc/21/35/58/1299213558.db2.gz LLAUMYQOUXHXPN-QRVBRYPASA-N 2 1 327.472 2.398 20 30 EEEDMP COCCOC[N@H+]1CCCC2(CCN(Cc3[nH]ccc3C#N)CC2)C1 ZINC001276840714 1299875434 /nfs/dbraw/zinc/87/54/34/1299875434.db2.gz UWAOSZIYJBYSID-UHFFFAOYSA-N 2 1 346.475 2.185 20 30 EEEDMP COCCOCN1CCCC2(CCN(Cc3[nH]ccc3C#N)CC2)C1 ZINC001276840714 1299875446 /nfs/dbraw/zinc/87/54/46/1299875446.db2.gz UWAOSZIYJBYSID-UHFFFAOYSA-N 2 1 346.475 2.185 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190194 1300531743 /nfs/dbraw/zinc/53/17/43/1300531743.db2.gz VYKDHDYZNVYFBS-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190194 1300531747 /nfs/dbraw/zinc/53/17/47/1300531747.db2.gz VYKDHDYZNVYFBS-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190194 1300531756 /nfs/dbraw/zinc/53/17/56/1300531756.db2.gz VYKDHDYZNVYFBS-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613347 1301288273 /nfs/dbraw/zinc/28/82/73/1301288273.db2.gz WNBVEZNHMOQIKK-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613347 1301288275 /nfs/dbraw/zinc/28/82/75/1301288275.db2.gz WNBVEZNHMOQIKK-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613347 1301288278 /nfs/dbraw/zinc/28/82/78/1301288278.db2.gz WNBVEZNHMOQIKK-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613347 1301288281 /nfs/dbraw/zinc/28/82/81/1301288281.db2.gz WNBVEZNHMOQIKK-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccccc2)C1 ZINC001230138090 1303082676 /nfs/dbraw/zinc/08/26/76/1303082676.db2.gz FOIJFYSBRJEJER-XUVXKRRUSA-N 2 1 339.483 2.007 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)CC[N@H+](C)CC)Cc1cccnc1 ZINC001230891387 1303529562 /nfs/dbraw/zinc/52/95/62/1303529562.db2.gz VGEJZEBIUAEPPZ-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)CC[NH+](C)CC)Cc1cccnc1 ZINC001230891387 1303529567 /nfs/dbraw/zinc/52/95/67/1303529567.db2.gz VGEJZEBIUAEPPZ-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)CC[NH+](C)CC)Cc1cccnc1 ZINC001230891387 1303529571 /nfs/dbraw/zinc/52/95/71/1303529571.db2.gz VGEJZEBIUAEPPZ-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCCCCC)C[C@H]32)CC1 ZINC001115290733 1304908205 /nfs/dbraw/zinc/90/82/05/1304908205.db2.gz ZXBFLUYCRQBOGH-PMOLBWCYSA-N 2 1 345.531 2.348 20 30 EEEDMP COc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C#N)C2)cc1 ZINC001246966890 1310482566 /nfs/dbraw/zinc/48/25/66/1310482566.db2.gz WANVJJWZWNVYQK-CADBVGFASA-N 2 1 342.487 2.411 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001161219735 1315343249 /nfs/dbraw/zinc/34/32/49/1315343249.db2.gz NGUKFUKLJULWCV-UHFFFAOYSA-N 2 1 349.519 2.059 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149860765 1316069786 /nfs/dbraw/zinc/06/97/86/1316069786.db2.gz KCONORQMZRNMLT-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149860765 1316069791 /nfs/dbraw/zinc/06/97/91/1316069791.db2.gz KCONORQMZRNMLT-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149860765 1316069797 /nfs/dbraw/zinc/06/97/97/1316069797.db2.gz KCONORQMZRNMLT-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150706789 1316349673 /nfs/dbraw/zinc/34/96/73/1316349673.db2.gz NKRFCTYFRGTAKQ-ZWKOTPCHSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001150706789 1316349678 /nfs/dbraw/zinc/34/96/78/1316349678.db2.gz NKRFCTYFRGTAKQ-ZWKOTPCHSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001150706789 1316349681 /nfs/dbraw/zinc/34/96/81/1316349681.db2.gz NKRFCTYFRGTAKQ-ZWKOTPCHSA-N 2 1 339.524 2.116 20 30 EEEDMP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001151162100 1316463601 /nfs/dbraw/zinc/46/36/01/1316463601.db2.gz OZIRWTQVNPKRKL-UHFFFAOYSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001252552648 1317634110 /nfs/dbraw/zinc/63/41/10/1317634110.db2.gz LDQACJASHKHNMY-SJLPKXTDSA-N 2 1 334.460 2.272 20 30 EEEDMP N#C[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001254665994 1318162690 /nfs/dbraw/zinc/16/26/90/1318162690.db2.gz SNKBDDIAXKSMBE-UAFMIMERSA-N 2 1 340.471 2.297 20 30 EEEDMP N#C[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001254665994 1318162710 /nfs/dbraw/zinc/16/27/10/1318162710.db2.gz SNKBDDIAXKSMBE-UAFMIMERSA-N 2 1 340.471 2.297 20 30 EEEDMP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158040485 1318981206 /nfs/dbraw/zinc/98/12/06/1318981206.db2.gz XCJLMVULZCXGPJ-RBUKOAKNSA-N 2 1 340.471 2.029 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC001158404237 1319221397 /nfs/dbraw/zinc/22/13/97/1319221397.db2.gz SGDRWEATLBQOFO-FUHWJXTLSA-N 2 1 346.450 2.024 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001159911367 1320019262 /nfs/dbraw/zinc/01/92/62/1320019262.db2.gz XIIYFBUFUVOFAP-OAHLLOKOSA-N 2 1 348.516 2.479 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(C[NH+]2CCCC2)cn1 ZINC001159924837 1320023232 /nfs/dbraw/zinc/02/32/32/1320023232.db2.gz YRNMYAYJCSJTQY-KRWDZBQOSA-N 2 1 346.475 2.316 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160292031 1320124524 /nfs/dbraw/zinc/12/45/24/1320124524.db2.gz KVXCPNHLHQOXLA-QGZVFWFLSA-N 2 1 325.472 2.381 20 30 EEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001160551405 1320194772 /nfs/dbraw/zinc/19/47/72/1320194772.db2.gz KUNXWTJOIVZUKW-UHFFFAOYSA-N 2 1 328.460 2.232 20 30 EEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001160687525 1320233657 /nfs/dbraw/zinc/23/36/57/1320233657.db2.gz AAZFWURGQVGVPZ-UHFFFAOYSA-N 2 1 342.487 2.476 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001160687525 1320233661 /nfs/dbraw/zinc/23/36/61/1320233661.db2.gz AAZFWURGQVGVPZ-UHFFFAOYSA-N 2 1 342.487 2.476 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001160688290 1320233769 /nfs/dbraw/zinc/23/37/69/1320233769.db2.gz AMHQMPIJQSTRGN-SFHVURJKSA-N 2 1 327.472 2.133 20 30 EEEDMP C=C(C)CN(CC)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001160688290 1320233773 /nfs/dbraw/zinc/23/37/73/1320233773.db2.gz AMHQMPIJQSTRGN-SFHVURJKSA-N 2 1 327.472 2.133 20 30 EEEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)cc2)c1 ZINC001205221420 1322319011 /nfs/dbraw/zinc/31/90/11/1322319011.db2.gz UQIULIYRNPOHDR-HXUWFJFHSA-N 2 1 336.439 2.296 20 30 EEEDMP C=CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001263097576 1322433223 /nfs/dbraw/zinc/43/32/23/1322433223.db2.gz CDMMQNHDVBDZKM-QFBILLFUSA-N 2 1 345.487 2.207 20 30 EEEDMP C=CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001263097576 1322433224 /nfs/dbraw/zinc/43/32/24/1322433224.db2.gz CDMMQNHDVBDZKM-QFBILLFUSA-N 2 1 345.487 2.207 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001206282579 1323447192 /nfs/dbraw/zinc/44/71/92/1323447192.db2.gz VTBZVVFFXRUOOT-QGZVFWFLSA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208453691 1324506473 /nfs/dbraw/zinc/50/64/73/1324506473.db2.gz NBRUQRATVQHJOP-CYBMUJFWSA-N 2 1 346.313 2.206 20 30 EEEDMP C#CCCC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001209266020 1324878141 /nfs/dbraw/zinc/87/81/41/1324878141.db2.gz OQRKBDDABKITKF-UHFFFAOYSA-N 2 1 327.472 2.409 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC001580066789 1344462135 /nfs/dbraw/zinc/46/21/35/1344462135.db2.gz UGGLFAOCOCMCHA-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC001580066789 1344462138 /nfs/dbraw/zinc/46/21/38/1344462138.db2.gz UGGLFAOCOCMCHA-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001186608832 1368205250 /nfs/dbraw/zinc/20/52/50/1368205250.db2.gz ORYVUUDNKXFGEA-DOTOQJQBSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCN1c2ccccc2[C@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273826423 1368724473 /nfs/dbraw/zinc/72/44/73/1368724473.db2.gz DXXNWLBYLRVTCW-HXUWFJFHSA-N 2 1 325.456 2.257 20 30 EEEDMP C=CCN1c2ccccc2[C@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273826423 1368724476 /nfs/dbraw/zinc/72/44/76/1368724476.db2.gz DXXNWLBYLRVTCW-HXUWFJFHSA-N 2 1 325.456 2.257 20 30 EEEDMP C#CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCCCC1 ZINC001115544939 1371668657 /nfs/dbraw/zinc/66/86/57/1371668657.db2.gz JBXBZBFAIHMZAQ-MRXNPFEDSA-N 2 1 330.476 2.439 20 30 EEEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001365315350 1373700248 /nfs/dbraw/zinc/70/02/48/1373700248.db2.gz CSZMNRABEZDLFC-KSZLIROESA-N 2 1 340.471 2.205 20 30 EEEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001365315350 1373700256 /nfs/dbraw/zinc/70/02/56/1373700256.db2.gz CSZMNRABEZDLFC-KSZLIROESA-N 2 1 340.471 2.205 20 30 EEEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001365315350 1373700263 /nfs/dbraw/zinc/70/02/63/1373700263.db2.gz CSZMNRABEZDLFC-KSZLIROESA-N 2 1 340.471 2.205 20 30 EEEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001365315350 1373700268 /nfs/dbraw/zinc/70/02/68/1373700268.db2.gz CSZMNRABEZDLFC-KSZLIROESA-N 2 1 340.471 2.205 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001367239065 1374140909 /nfs/dbraw/zinc/14/09/09/1374140909.db2.gz DNMAFUICRBLGQK-WMLDXEAASA-N 2 1 348.516 2.334 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1cc(C#N)ccc1F ZINC001367249610 1374144505 /nfs/dbraw/zinc/14/45/05/1374144505.db2.gz XHZXQFGLBUWADF-CQSZACIVSA-N 2 1 346.450 2.024 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001367862045 1374291425 /nfs/dbraw/zinc/29/14/25/1374291425.db2.gz MGGLNAMNWHQCCZ-ZBFHGGJFSA-N 2 1 327.900 2.488 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001375092193 1377361389 /nfs/dbraw/zinc/36/13/89/1377361389.db2.gz AZWFWDXXIMKLOV-MAUKXSAKSA-N 2 1 330.476 2.081 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001375092193 1377361390 /nfs/dbraw/zinc/36/13/90/1377361390.db2.gz AZWFWDXXIMKLOV-MAUKXSAKSA-N 2 1 330.476 2.081 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCCC2)C1 ZINC001392021639 1389774691 /nfs/dbraw/zinc/77/46/91/1389774691.db2.gz HBGPMAUPLBYIHZ-SFHVURJKSA-N 2 1 340.471 2.029 20 30 EEEDMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)CC1CC[NH+](C)CC1 ZINC001401791151 1397574340 /nfs/dbraw/zinc/57/43/40/1397574340.db2.gz CLIDBVOPBGRXGS-CQSZACIVSA-N 2 1 348.516 2.288 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)CC1CC[NH+](C)CC1 ZINC001401791151 1397574345 /nfs/dbraw/zinc/57/43/45/1397574345.db2.gz CLIDBVOPBGRXGS-CQSZACIVSA-N 2 1 348.516 2.288 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1CCC[N@H+]1C ZINC001403054397 1398325336 /nfs/dbraw/zinc/32/53/36/1398325336.db2.gz JBNJIXIZBQIHRU-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001754946723 1407009424 /nfs/dbraw/zinc/00/94/24/1407009424.db2.gz UNBDGDQCXLIXBG-UHFFFAOYSA-N 2 1 327.472 2.100 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755075542 1407084602 /nfs/dbraw/zinc/08/46/02/1407084602.db2.gz ITAWZEJABZKNLT-PXNSSMCTSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755075542 1407084611 /nfs/dbraw/zinc/08/46/11/1407084611.db2.gz ITAWZEJABZKNLT-PXNSSMCTSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755075542 1407084618 /nfs/dbraw/zinc/08/46/18/1407084618.db2.gz ITAWZEJABZKNLT-PXNSSMCTSA-N 2 1 341.499 2.447 20 30 EEEDMP CC#CC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC001574970423 1403529504 /nfs/dbraw/zinc/52/95/04/1403529504.db2.gz VSCSZGJPJZRUQV-CRAIPNDOSA-N 2 1 329.444 2.086 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081433 1410520448 /nfs/dbraw/zinc/52/04/48/1410520448.db2.gz SIGUJGJNNMWPRG-ROUUACIJSA-N 2 1 339.524 2.016 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536734 1411035020 /nfs/dbraw/zinc/03/50/20/1411035020.db2.gz FWJNWHSUPCQMFT-ZWKOTPCHSA-N 2 1 331.504 2.293 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104578872 761977262 /nfs/dbraw/zinc/97/72/62/761977262.db2.gz FXRFHLDIPZQCDY-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104287020 757944915 /nfs/dbraw/zinc/94/49/15/757944915.db2.gz QSBCNFNHIPJOCU-QRVBRYPASA-N 2 1 333.520 2.062 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001203202816 758247966 /nfs/dbraw/zinc/24/79/66/758247966.db2.gz BCXSUMRCMDMQEA-UHFFFAOYSA-N 2 1 345.462 2.100 20 30 EEEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167425844 758349832 /nfs/dbraw/zinc/34/98/32/758349832.db2.gz LSPRTSONZCWCHS-MSOLQXFVSA-N 2 1 349.519 2.082 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001075410490 759377099 /nfs/dbraw/zinc/37/70/99/759377099.db2.gz CODAWNQOIOWLBA-UYAOXDASSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448090 760371073 /nfs/dbraw/zinc/37/10/73/760371073.db2.gz NOVQMYCQJCSJIK-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445045 769263069 /nfs/dbraw/zinc/26/30/69/769263069.db2.gz CRKMZUOQCWLTPA-RTBURBONSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479060 769671813 /nfs/dbraw/zinc/67/18/13/769671813.db2.gz XKIOZYPIAVKXMQ-BZSNNMDCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479060 769671818 /nfs/dbraw/zinc/67/18/18/769671818.db2.gz XKIOZYPIAVKXMQ-BZSNNMDCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479060 769671823 /nfs/dbraw/zinc/67/18/23/769671823.db2.gz XKIOZYPIAVKXMQ-BZSNNMDCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509069 770000883 /nfs/dbraw/zinc/00/08/83/770000883.db2.gz DRKZIKOGXIKQQG-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)CC1 ZINC001089564866 770422271 /nfs/dbraw/zinc/42/22/71/770422271.db2.gz KGAPEHCMQIVDOP-LJQANCHMSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001089868542 782931151 /nfs/dbraw/zinc/93/11/51/782931151.db2.gz DCCHGZCDANIEIJ-MUGJNUQGSA-N 2 1 345.531 2.463 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723195 775932834 /nfs/dbraw/zinc/93/28/34/775932834.db2.gz SLUMLWOEVJUQTR-XLIONFOSSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000939413027 776484207 /nfs/dbraw/zinc/48/42/07/776484207.db2.gz JCYPVUDOLATKIG-BLLLJJGKSA-N 2 1 345.834 2.070 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981185294 776731411 /nfs/dbraw/zinc/73/14/11/776731411.db2.gz SSZDTSNVXBCHHW-QWHCGFSZSA-N 2 1 340.855 2.119 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089833472 777338356 /nfs/dbraw/zinc/33/83/56/777338356.db2.gz KPIJRQJGIVDRHT-NQYYFHDYSA-N 2 1 336.439 2.303 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089847715 777906123 /nfs/dbraw/zinc/90/61/23/777906123.db2.gz WVFQVDGZPKMTEO-MHORFTMASA-N 2 1 331.504 2.216 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000981813693 778238727 /nfs/dbraw/zinc/23/87/27/778238727.db2.gz QIKWHPICDMRSDM-IBGZPJMESA-N 2 1 349.519 2.130 20 30 EEEDMP N#Cc1c(C#N)c2c(nc1NC(=[NH2+])NCCCC[NH3+])CCCCCC2 ZINC001167880204 778971719 /nfs/dbraw/zinc/97/17/19/778971719.db2.gz BVBJMZQGKOCPGS-UHFFFAOYSA-N 2 1 339.447 2.159 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(=C)Cl)C1 ZINC001088329441 783522843 /nfs/dbraw/zinc/52/28/43/783522843.db2.gz XMIGKRPWZFGCHN-IRXDYDNUSA-N 2 1 337.895 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(=C)Cl)C1 ZINC001088329441 783522854 /nfs/dbraw/zinc/52/28/54/783522854.db2.gz XMIGKRPWZFGCHN-IRXDYDNUSA-N 2 1 337.895 2.197 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001035048994 783653605 /nfs/dbraw/zinc/65/36/05/783653605.db2.gz LJCJGVGSZFWWPA-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)CC2 ZINC001035227620 784116196 /nfs/dbraw/zinc/11/61/96/784116196.db2.gz SRSOQBHLNXZNTG-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035227620 784116199 /nfs/dbraw/zinc/11/61/99/784116199.db2.gz SRSOQBHLNXZNTG-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035227620 784116205 /nfs/dbraw/zinc/11/62/05/784116205.db2.gz SRSOQBHLNXZNTG-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1(C)C ZINC000995825005 785726005 /nfs/dbraw/zinc/72/60/05/785726005.db2.gz MEWADBGLHWDMON-ZNMIVQPWSA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996193408 786128175 /nfs/dbraw/zinc/12/81/75/786128175.db2.gz ANRNVVBQDCRKKC-KKUMJFAQSA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC000996311705 786251032 /nfs/dbraw/zinc/25/10/32/786251032.db2.gz UALADVVNLWXYSD-WBVHZDCISA-N 2 1 330.476 2.157 20 30 EEEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001109732051 805911163 /nfs/dbraw/zinc/91/11/63/805911163.db2.gz ZBSVCCROZUCOIU-XWSJACJDSA-N 2 1 340.471 2.120 20 30 EEEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001109732051 805911169 /nfs/dbraw/zinc/91/11/69/805911169.db2.gz ZBSVCCROZUCOIU-XWSJACJDSA-N 2 1 340.471 2.120 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089906879 789688998 /nfs/dbraw/zinc/68/89/98/789688998.db2.gz KGWBFOXSBNISJQ-RDGPPVDQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089906879 789689003 /nfs/dbraw/zinc/68/90/03/789689003.db2.gz KGWBFOXSBNISJQ-RDGPPVDQSA-N 2 1 342.487 2.327 20 30 EEEDMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001171215903 790074424 /nfs/dbraw/zinc/07/44/24/790074424.db2.gz GBCQVVFYUNGBFM-QGZVFWFLSA-N 2 1 347.890 2.129 20 30 EEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001099098949 792121347 /nfs/dbraw/zinc/12/13/47/792121347.db2.gz ZJRUGHLFOQYYSI-HOTGVXAUSA-N 2 1 327.488 2.459 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942302 793034361 /nfs/dbraw/zinc/03/43/61/793034361.db2.gz NQROPLVGUHRJOG-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCC(C)C)C[C@@]3(C)C2)CC1 ZINC001092299750 793775170 /nfs/dbraw/zinc/77/51/70/793775170.db2.gz GPNMNCSVZSZZEE-CTNGQTDRSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(CC)CC)C[C@H]1C ZINC001092689299 794262788 /nfs/dbraw/zinc/26/27/88/794262788.db2.gz HVJLJWQQKYRRGE-QRQLOZEOSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001092689299 794262796 /nfs/dbraw/zinc/26/27/96/794262796.db2.gz HVJLJWQQKYRRGE-QRQLOZEOSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(CC)CC)C[C@H]1C ZINC001092689299 794262800 /nfs/dbraw/zinc/26/28/00/794262800.db2.gz HVJLJWQQKYRRGE-QRQLOZEOSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(CC)CC)C[C@H]1C ZINC001092689299 794262806 /nfs/dbraw/zinc/26/28/06/794262806.db2.gz HVJLJWQQKYRRGE-QRQLOZEOSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036864085 795563082 /nfs/dbraw/zinc/56/30/82/795563082.db2.gz RELCKVWEFYBIFV-RBUKOAKNSA-N 2 1 331.504 2.217 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001171762784 796723719 /nfs/dbraw/zinc/72/37/19/796723719.db2.gz KZIZDFUWUAIDNZ-UHFFFAOYSA-N 2 1 335.879 2.129 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994012501 797226660 /nfs/dbraw/zinc/22/66/60/797226660.db2.gz UXZZEFZPAPGBGU-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174930712 797920347 /nfs/dbraw/zinc/92/03/47/797920347.db2.gz YCLZEEQRDCBDGQ-RDJZCZTQSA-N 2 1 330.476 2.042 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089383411 798283962 /nfs/dbraw/zinc/28/39/62/798283962.db2.gz YGEIACDHXHOSEF-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383411 798283967 /nfs/dbraw/zinc/28/39/67/798283967.db2.gz YGEIACDHXHOSEF-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383411 798283973 /nfs/dbraw/zinc/28/39/73/798283973.db2.gz YGEIACDHXHOSEF-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820076 798585357 /nfs/dbraw/zinc/58/53/57/798585357.db2.gz INQSNTSVJNNTAI-GOSISDBHSA-N 2 1 329.488 2.406 20 30 EEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820076 798585359 /nfs/dbraw/zinc/58/53/59/798585359.db2.gz INQSNTSVJNNTAI-GOSISDBHSA-N 2 1 329.488 2.406 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212462350 798596479 /nfs/dbraw/zinc/59/64/79/798596479.db2.gz BSFIYUXQASUTHO-BRWVUGGUSA-N 2 1 327.513 2.112 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072610 798654018 /nfs/dbraw/zinc/65/40/18/798654018.db2.gz JUURXACIUOZFFC-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072610 798654022 /nfs/dbraw/zinc/65/40/22/798654022.db2.gz JUURXACIUOZFFC-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072610 798654027 /nfs/dbraw/zinc/65/40/27/798654027.db2.gz JUURXACIUOZFFC-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001177157007 798779872 /nfs/dbraw/zinc/77/98/72/798779872.db2.gz PNVVAUSBEDGDJC-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001177157007 798779876 /nfs/dbraw/zinc/77/98/76/798779876.db2.gz PNVVAUSBEDGDJC-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001179420905 799927664 /nfs/dbraw/zinc/92/76/64/799927664.db2.gz RJAMQVNUNCTNDZ-LESCRADOSA-N 2 1 330.476 2.299 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001182896910 801390803 /nfs/dbraw/zinc/39/08/03/801390803.db2.gz IYRXTDOFHOLITE-VQIMIIECSA-N 2 1 330.476 2.069 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085895299 801578163 /nfs/dbraw/zinc/57/81/63/801578163.db2.gz YVUMPNKMELVORP-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085895299 801578168 /nfs/dbraw/zinc/57/81/68/801578168.db2.gz YVUMPNKMELVORP-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004451379 802074041 /nfs/dbraw/zinc/07/40/41/802074041.db2.gz PWWDFQDSJHDAQP-XUVXKRRUSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004451379 802074045 /nfs/dbraw/zinc/07/40/45/802074045.db2.gz PWWDFQDSJHDAQP-XUVXKRRUSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004451379 802074052 /nfs/dbraw/zinc/07/40/52/802074052.db2.gz PWWDFQDSJHDAQP-XUVXKRRUSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004459317 802124992 /nfs/dbraw/zinc/12/49/92/802124992.db2.gz PLPHYTRWFMFOAU-LJQANCHMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004459317 802124999 /nfs/dbraw/zinc/12/49/99/802124999.db2.gz PLPHYTRWFMFOAU-LJQANCHMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004459317 802125003 /nfs/dbraw/zinc/12/50/03/802125003.db2.gz PLPHYTRWFMFOAU-LJQANCHMSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004570518 802391616 /nfs/dbraw/zinc/39/16/16/802391616.db2.gz UETUHXVDKKETCM-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033161972 802689023 /nfs/dbraw/zinc/68/90/23/802689023.db2.gz PATJFPNKNJPHDC-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033161972 802689027 /nfs/dbraw/zinc/68/90/27/802689027.db2.gz PATJFPNKNJPHDC-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033161972 802689029 /nfs/dbraw/zinc/68/90/29/802689029.db2.gz PATJFPNKNJPHDC-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033161972 802689030 /nfs/dbraw/zinc/68/90/30/802689030.db2.gz PATJFPNKNJPHDC-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP N#CC12CCC(Nc3cc[nH+]c(N4CCC([NH3+])CC4)n3)(CC1)CC2 ZINC001169746447 804006494 /nfs/dbraw/zinc/00/64/94/804006494.db2.gz GPSJPOUTPUUKRZ-UHFFFAOYSA-N 2 1 326.448 2.433 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001108772281 804476273 /nfs/dbraw/zinc/47/62/73/804476273.db2.gz LTXWWIJHDMBYHH-BZSNNMDCSA-N 2 1 342.487 2.389 20 30 EEEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169989814 805180937 /nfs/dbraw/zinc/18/09/37/805180937.db2.gz CUYSSRURACLSDG-ZWKOTPCHSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169989814 805180944 /nfs/dbraw/zinc/18/09/44/805180944.db2.gz CUYSSRURACLSDG-ZWKOTPCHSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169989812 805180966 /nfs/dbraw/zinc/18/09/66/805180966.db2.gz CUYSSRURACLSDG-ROUUACIJSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169989812 805180969 /nfs/dbraw/zinc/18/09/69/805180969.db2.gz CUYSSRURACLSDG-ROUUACIJSA-N 2 1 339.524 2.328 20 30 EEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114291363 810781506 /nfs/dbraw/zinc/78/15/06/810781506.db2.gz XAMPUFLITSTUNN-INDMIFKZSA-N 2 1 333.520 2.345 20 30 EEEDMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001130615181 811843563 /nfs/dbraw/zinc/84/35/63/811843563.db2.gz IXXUMVKHQVQTBA-UHFFFAOYSA-N 2 1 342.487 2.417 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@@H](C)O2 ZINC001131700929 813132254 /nfs/dbraw/zinc/13/22/54/813132254.db2.gz LLMWVXRMBXVCEO-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001445867667 1091789832 /nfs/dbraw/zinc/78/98/32/1091789832.db2.gz GVJUWCFQJQZDEA-KRWDZBQOSA-N 2 1 342.487 2.371 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001440262313 1093367741 /nfs/dbraw/zinc/36/77/41/1093367741.db2.gz QZUPPEJXOZMWSL-RTBURBONSA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001440262313 1093367747 /nfs/dbraw/zinc/36/77/47/1093367747.db2.gz QZUPPEJXOZMWSL-RTBURBONSA-N 2 1 342.487 2.177 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001480554898 1100393443 /nfs/dbraw/zinc/39/34/43/1100393443.db2.gz OFGGIJGNWORQDG-CYBMUJFWSA-N 2 1 345.472 2.199 20 30 EEEDMP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001497254942 1102199863 /nfs/dbraw/zinc/19/98/63/1102199863.db2.gz WMYQZEJMQZQHSG-YJBOKZPZSA-N 2 1 328.460 2.027 20 30 EEEDMP C[C@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)C[NH+](C)CC(C)(C)C ZINC001498381293 1107424831 /nfs/dbraw/zinc/42/48/31/1107424831.db2.gz NXVHNYZLXBJRDL-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)C[NH+](C)CC(C)(C)C ZINC001498381293 1107424834 /nfs/dbraw/zinc/42/48/34/1107424834.db2.gz NXVHNYZLXBJRDL-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498381293 1107424837 /nfs/dbraw/zinc/42/48/37/1107424837.db2.gz NXVHNYZLXBJRDL-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498381293 1107424842 /nfs/dbraw/zinc/42/48/42/1107424842.db2.gz NXVHNYZLXBJRDL-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP Cn1nccc1[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000328728479 539759870 /nfs/dbraw/zinc/75/98/70/539759870.db2.gz GVTDVIFJQMVTBO-OAHLLOKOSA-N 2 1 345.491 2.183 20 30 EEEDMP Cn1nccc1[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000328728479 539759876 /nfs/dbraw/zinc/75/98/76/539759876.db2.gz GVTDVIFJQMVTBO-OAHLLOKOSA-N 2 1 345.491 2.183 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105396747 781942408 /nfs/dbraw/zinc/94/24/08/781942408.db2.gz UUVILLYDZCBUEG-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396747 781942418 /nfs/dbraw/zinc/94/24/18/781942418.db2.gz UUVILLYDZCBUEG-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396747 781942431 /nfs/dbraw/zinc/94/24/31/781942431.db2.gz UUVILLYDZCBUEG-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C[NH+](C)CC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000364268627 165077514 /nfs/dbraw/zinc/07/75/14/165077514.db2.gz ACDLOYQCJRDNTL-UHFFFAOYSA-N 2 1 325.416 2.382 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000566109514 319245764 /nfs/dbraw/zinc/24/57/64/319245764.db2.gz RZYAZINKIPXTBL-ROUUACIJSA-N 2 1 331.460 2.008 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000566109513 319246036 /nfs/dbraw/zinc/24/60/36/319246036.db2.gz RZYAZINKIPXTBL-QZTJIDSGSA-N 2 1 331.460 2.008 20 30 EEEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncc(C#N)cn1 ZINC000580173752 324008316 /nfs/dbraw/zinc/00/83/16/324008316.db2.gz CRDUHTDKURREDP-UHFFFAOYSA-N 2 1 336.443 2.482 20 30 EEEDMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C[C@@H]1C ZINC000328662110 465093247 /nfs/dbraw/zinc/09/32/47/465093247.db2.gz AJQIXIFCUIIOHL-BBWFWOEESA-N 2 1 345.491 2.379 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000341297135 465097833 /nfs/dbraw/zinc/09/78/33/465097833.db2.gz LXSNVLYKBMTUCX-YTQUADARSA-N 2 1 348.535 2.467 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000329024199 465207609 /nfs/dbraw/zinc/20/76/09/465207609.db2.gz IYMIHVAEYUURSZ-AWEZNQCLSA-N 2 1 347.463 2.177 20 30 EEEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000329024199 465207619 /nfs/dbraw/zinc/20/76/19/465207619.db2.gz IYMIHVAEYUURSZ-AWEZNQCLSA-N 2 1 347.463 2.177 20 30 EEEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1C#N ZINC000136583153 463247097 /nfs/dbraw/zinc/24/70/97/463247097.db2.gz GHFPUZWNWSVLMA-OALUTQOASA-N 2 1 343.471 2.424 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000170908958 463739920 /nfs/dbraw/zinc/73/99/20/463739920.db2.gz PYIPIVPXGICEFU-LJQANCHMSA-N 3 1 343.519 2.171 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CCN(c2cccs2)CC1 ZINC000261747682 463848454 /nfs/dbraw/zinc/84/84/54/463848454.db2.gz LLBFNTRTGLNPEF-INIZCTEOSA-N 2 1 349.548 2.177 20 30 EEEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000597004298 468414619 /nfs/dbraw/zinc/41/46/19/468414619.db2.gz ZIMAXNMEIZGZPI-HXUWFJFHSA-N 2 1 338.499 2.454 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000247808489 464707343 /nfs/dbraw/zinc/70/73/43/464707343.db2.gz UCCBBKOWPGGVKE-IAGOWNOFSA-N 2 1 336.524 2.447 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])N(C)C3CC3)cc2)C[C@H](C)O1 ZINC000273363181 464713057 /nfs/dbraw/zinc/71/30/57/464713057.db2.gz TXUNCILYMGQXLA-GASCZTMLSA-N 2 1 330.476 2.205 20 30 EEEDMP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC000329936129 465479477 /nfs/dbraw/zinc/47/94/77/465479477.db2.gz CWIGFLVQRXZFBG-DOTOQJQBSA-N 2 1 345.491 2.023 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000330309235 465607457 /nfs/dbraw/zinc/60/74/57/465607457.db2.gz UCJOQNVZHDIIQQ-ZDUSSCGKSA-N 2 1 344.463 2.259 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCCn1cc[nH+]c1C)C(C)C ZINC000299532708 465788449 /nfs/dbraw/zinc/78/84/49/465788449.db2.gz ZUMDZISWXMSCOC-KRWDZBQOSA-N 2 1 333.480 2.189 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)C(C)C ZINC000367888817 466551739 /nfs/dbraw/zinc/55/17/39/466551739.db2.gz YUNNSYBZGYMZMC-IPMKNSEASA-N 2 1 348.535 2.421 20 30 EEEDMP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000424138056 466987026 /nfs/dbraw/zinc/98/70/26/466987026.db2.gz SZXAZIHDXMQNBU-MSOLQXFVSA-N 2 1 328.460 2.131 20 30 EEEDMP C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424148477 466990680 /nfs/dbraw/zinc/99/06/80/466990680.db2.gz ULRCTGOQBFBEBH-WMZOPIPTSA-N 2 1 328.460 2.131 20 30 EEEDMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598615351 468933637 /nfs/dbraw/zinc/93/36/37/468933637.db2.gz XBOHKXVXAVHGFL-QZTJIDSGSA-N 2 1 330.476 2.136 20 30 EEEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c2)CCO1 ZINC000598720364 468973831 /nfs/dbraw/zinc/97/38/31/468973831.db2.gz MTQLLCCRCBAKTK-QFBILLFUSA-N 2 1 345.487 2.298 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c2)CCO1 ZINC000598720364 468973833 /nfs/dbraw/zinc/97/38/33/468973833.db2.gz MTQLLCCRCBAKTK-QFBILLFUSA-N 2 1 345.487 2.298 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155824 675718352 /nfs/dbraw/zinc/71/83/52/675718352.db2.gz DRQYGRWDLCEWJA-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338260 675794429 /nfs/dbraw/zinc/79/44/29/675794429.db2.gz LIZYJLUNDAGILA-HOCLYGCPSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620948 676274836 /nfs/dbraw/zinc/27/48/36/676274836.db2.gz YFJPYAXGXUBRHE-QAPCUYQASA-N 2 1 346.475 2.239 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620948 676274839 /nfs/dbraw/zinc/27/48/39/676274839.db2.gz YFJPYAXGXUBRHE-QAPCUYQASA-N 2 1 346.475 2.239 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000971703249 676747588 /nfs/dbraw/zinc/74/75/88/676747588.db2.gz BKIOZQFRXVLJDY-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC000971703249 676747589 /nfs/dbraw/zinc/74/75/89/676747589.db2.gz BKIOZQFRXVLJDY-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000971703249 676747590 /nfs/dbraw/zinc/74/75/90/676747590.db2.gz BKIOZQFRXVLJDY-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC000971703249 676747592 /nfs/dbraw/zinc/74/75/92/676747592.db2.gz BKIOZQFRXVLJDY-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC000971703249 676747593 /nfs/dbraw/zinc/74/75/93/676747593.db2.gz BKIOZQFRXVLJDY-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971800492 676812089 /nfs/dbraw/zinc/81/20/89/676812089.db2.gz KCECELYSCYWXEB-YOEHRIQHSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971800492 676812092 /nfs/dbraw/zinc/81/20/92/676812092.db2.gz KCECELYSCYWXEB-YOEHRIQHSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971800492 676812095 /nfs/dbraw/zinc/81/20/95/676812095.db2.gz KCECELYSCYWXEB-YOEHRIQHSA-N 2 1 346.500 2.137 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972336275 678564976 /nfs/dbraw/zinc/56/49/76/678564976.db2.gz VSDKNOHKLQWNLR-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972336275 678564979 /nfs/dbraw/zinc/56/49/79/678564979.db2.gz VSDKNOHKLQWNLR-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972336275 678564983 /nfs/dbraw/zinc/56/49/83/678564983.db2.gz VSDKNOHKLQWNLR-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC000972355765 678597207 /nfs/dbraw/zinc/59/72/07/678597207.db2.gz ZGMVUMRRABYODG-AEFFLSMTSA-N 2 1 346.450 2.070 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553125 679374306 /nfs/dbraw/zinc/37/43/06/679374306.db2.gz VWNGVYWHPHFLFS-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556762 679377076 /nfs/dbraw/zinc/37/70/76/679377076.db2.gz QBGJCHQWEILIEF-SJORKVTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556762 679377077 /nfs/dbraw/zinc/37/70/77/679377077.db2.gz QBGJCHQWEILIEF-SJORKVTESA-N 2 1 330.476 2.158 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026892796 685257820 /nfs/dbraw/zinc/25/78/20/685257820.db2.gz CGHRSPRWHNWNRV-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026892796 685257823 /nfs/dbraw/zinc/25/78/23/685257823.db2.gz CGHRSPRWHNWNRV-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246947 682316233 /nfs/dbraw/zinc/31/62/33/682316233.db2.gz HWQJXJUCLDEULF-MOPGFXCFSA-N 2 1 343.515 2.484 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585072 683042000 /nfs/dbraw/zinc/04/20/00/683042000.db2.gz NFNGVIARRPMTHE-MJGOQNOKSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029342543 684043243 /nfs/dbraw/zinc/04/32/43/684043243.db2.gz TWTQYQXEXDBJCX-KSZLIROESA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001026360555 684439129 /nfs/dbraw/zinc/43/91/29/684439129.db2.gz KZWBFTNRLJNORG-ARFHVFGLSA-N 2 1 339.911 2.297 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000975064990 686092619 /nfs/dbraw/zinc/09/26/19/686092619.db2.gz SELWXSZXGJCHMV-KRWDZBQOSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000975064990 686092621 /nfs/dbraw/zinc/09/26/21/686092621.db2.gz SELWXSZXGJCHMV-KRWDZBQOSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000985665286 687430668 /nfs/dbraw/zinc/43/06/68/687430668.db2.gz UPILUYMLNKOEQP-UXHICEINSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000985665286 687430672 /nfs/dbraw/zinc/43/06/72/687430672.db2.gz UPILUYMLNKOEQP-UXHICEINSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000985665286 687430677 /nfs/dbraw/zinc/43/06/77/687430677.db2.gz UPILUYMLNKOEQP-UXHICEINSA-N 2 1 341.499 2.441 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991013859 694186597 /nfs/dbraw/zinc/18/65/97/694186597.db2.gz AIUAHTCBOHQBSD-QWFCFKBJSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991013859 694186599 /nfs/dbraw/zinc/18/65/99/694186599.db2.gz AIUAHTCBOHQBSD-QWFCFKBJSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991013859 694186601 /nfs/dbraw/zinc/18/66/01/694186601.db2.gz AIUAHTCBOHQBSD-QWFCFKBJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001029920554 688319226 /nfs/dbraw/zinc/31/92/26/688319226.db2.gz HBTLZFFUOMARRD-WOJBJXKFSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001029920554 688319233 /nfs/dbraw/zinc/31/92/33/688319233.db2.gz HBTLZFFUOMARRD-WOJBJXKFSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001029920554 688319238 /nfs/dbraw/zinc/31/92/38/688319238.db2.gz HBTLZFFUOMARRD-WOJBJXKFSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001029920554 688319242 /nfs/dbraw/zinc/31/92/42/688319242.db2.gz HBTLZFFUOMARRD-WOJBJXKFSA-N 2 1 339.483 2.065 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000986962588 689131998 /nfs/dbraw/zinc/13/19/98/689131998.db2.gz TUZABXAJSVYONY-HOCLYGCPSA-N 2 1 332.448 2.039 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C(C)(C)C1 ZINC000977449411 692634511 /nfs/dbraw/zinc/63/45/11/692634511.db2.gz JPRLCRZLIWJEMI-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977449411 692634514 /nfs/dbraw/zinc/63/45/14/692634514.db2.gz JPRLCRZLIWJEMI-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978269712 693435171 /nfs/dbraw/zinc/43/51/71/693435171.db2.gz KLPXIVRCLFCPAD-OKYOBFRVSA-N 2 1 331.504 2.264 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978269712 693435173 /nfs/dbraw/zinc/43/51/73/693435173.db2.gz KLPXIVRCLFCPAD-OKYOBFRVSA-N 2 1 331.504 2.264 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978269712 693435174 /nfs/dbraw/zinc/43/51/74/693435174.db2.gz KLPXIVRCLFCPAD-OKYOBFRVSA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772116 1192556340 /nfs/dbraw/zinc/55/63/40/1192556340.db2.gz QGGPYSUNDVWVLP-QAPCUYQASA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772116 1192556344 /nfs/dbraw/zinc/55/63/44/1192556344.db2.gz QGGPYSUNDVWVLP-QAPCUYQASA-N 2 1 339.443 2.284 20 30 EEEDMP C[C@@H](CC[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268392852 1182455029 /nfs/dbraw/zinc/45/50/29/1182455029.db2.gz SLEBYHZQJMEKBN-MAUKXSAKSA-N 2 1 347.890 2.270 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)C[C@H]2C)CC1 ZINC000945179426 1193415105 /nfs/dbraw/zinc/41/51/05/1193415105.db2.gz IVHBEEJNZSQQTR-IEBWSBKVSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001105439002 1187121317 /nfs/dbraw/zinc/12/13/17/1187121317.db2.gz VNEQBKVGSAKUOX-MCNSAMFCSA-N 2 1 341.499 2.176 20 30 EEEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001105485542 1188102077 /nfs/dbraw/zinc/10/20/77/1188102077.db2.gz METIAYWUSVTPDF-ZJRDLVKKSA-N 2 1 349.519 2.034 20 30 EEEDMP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001484047057 1191178424 /nfs/dbraw/zinc/17/84/24/1191178424.db2.gz DXBSBTMZOGDNEJ-GOSISDBHSA-N 2 1 346.500 2.185 20 30 EEEDMP C[N@@H+](CC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001484047057 1191178426 /nfs/dbraw/zinc/17/84/26/1191178426.db2.gz DXBSBTMZOGDNEJ-GOSISDBHSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+](CC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001484047057 1191178428 /nfs/dbraw/zinc/17/84/28/1191178428.db2.gz DXBSBTMZOGDNEJ-GOSISDBHSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+](CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001484047057 1191178429 /nfs/dbraw/zinc/17/84/29/1191178429.db2.gz DXBSBTMZOGDNEJ-GOSISDBHSA-N 2 1 346.500 2.185 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001484120219 1191220309 /nfs/dbraw/zinc/22/03/09/1191220309.db2.gz MMMWHHLSXOCQSD-GOSISDBHSA-N 2 1 348.516 2.290 20 30 EEEDMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001273101074 1194383226 /nfs/dbraw/zinc/38/32/26/1194383226.db2.gz NFNFCBQEQRQKRT-FQEVSTJZSA-N 2 1 346.519 2.479 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033955324 1195556465 /nfs/dbraw/zinc/55/64/65/1195556465.db2.gz YIBLIJPDWVIRAO-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033955324 1195556467 /nfs/dbraw/zinc/55/64/67/1195556467.db2.gz YIBLIJPDWVIRAO-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001034539259 1196364085 /nfs/dbraw/zinc/36/40/85/1196364085.db2.gz ZSVBJIAFUUIZTR-QLOJAFMTSA-N 2 1 345.531 2.348 20 30 EEEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)CC1 ZINC001273143242 1197000056 /nfs/dbraw/zinc/00/00/56/1197000056.db2.gz DHKLERMVBDPOTM-LJQANCHMSA-N 2 1 332.492 2.089 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001086717039 1199303270 /nfs/dbraw/zinc/30/32/70/1199303270.db2.gz CMVVFJCHDPQSLC-YQVWRLOYSA-N 2 1 349.519 2.080 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001132274141 1199523675 /nfs/dbraw/zinc/52/36/75/1199523675.db2.gz PCEWCOOLZCMMDR-YOEHRIQHSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001132274141 1199523677 /nfs/dbraw/zinc/52/36/77/1199523677.db2.gz PCEWCOOLZCMMDR-YOEHRIQHSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132377701 1199639946 /nfs/dbraw/zinc/63/99/46/1199639946.db2.gz ZPBFVOAHTPNJLC-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132377701 1199639950 /nfs/dbraw/zinc/63/99/50/1199639950.db2.gz ZPBFVOAHTPNJLC-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132931741 1200208733 /nfs/dbraw/zinc/20/87/33/1200208733.db2.gz CUYQYMFDGDJZDQ-GJZGRUSLSA-N 2 1 334.464 2.000 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947858080 1208748746 /nfs/dbraw/zinc/74/87/46/1208748746.db2.gz WSNCRRYZCXGZNB-NVXWUHKLSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947858080 1208748749 /nfs/dbraw/zinc/74/87/49/1208748749.db2.gz WSNCRRYZCXGZNB-NVXWUHKLSA-N 2 1 339.443 2.426 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435450 1209136740 /nfs/dbraw/zinc/13/67/40/1209136740.db2.gz LTMQFSYCBWGKNI-MOPGFXCFSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435450 1209136742 /nfs/dbraw/zinc/13/67/42/1209136742.db2.gz LTMQFSYCBWGKNI-MOPGFXCFSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435450 1209136744 /nfs/dbraw/zinc/13/67/44/1209136744.db2.gz LTMQFSYCBWGKNI-MOPGFXCFSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711013 1209317399 /nfs/dbraw/zinc/31/73/99/1209317399.db2.gz KBUWRDSXTNLGBI-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711013 1209317402 /nfs/dbraw/zinc/31/74/02/1209317402.db2.gz KBUWRDSXTNLGBI-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711013 1209317406 /nfs/dbraw/zinc/31/74/06/1209317406.db2.gz KBUWRDSXTNLGBI-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948716744 1209322054 /nfs/dbraw/zinc/32/20/54/1209322054.db2.gz DWGMEKJHJKDEJP-MSOLQXFVSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948716744 1209322055 /nfs/dbraw/zinc/32/20/55/1209322055.db2.gz DWGMEKJHJKDEJP-MSOLQXFVSA-N 2 1 342.487 2.090 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001114577187 1212366816 /nfs/dbraw/zinc/36/68/16/1212366816.db2.gz PTCOERWCTCFADJ-DICRZQGBSA-N 2 1 342.487 2.163 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001114577187 1212366823 /nfs/dbraw/zinc/36/68/23/1212366823.db2.gz PTCOERWCTCFADJ-DICRZQGBSA-N 2 1 342.487 2.163 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)CC2CCC2)CC1 ZINC000957720673 1215378100 /nfs/dbraw/zinc/37/81/00/1215378100.db2.gz UHGFWVWTZXHLBE-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)CC2CCC2)CC1 ZINC000957720673 1215378105 /nfs/dbraw/zinc/37/81/05/1215378105.db2.gz UHGFWVWTZXHLBE-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC2CCC2)CC1 ZINC000957720673 1215378110 /nfs/dbraw/zinc/37/81/10/1215378110.db2.gz UHGFWVWTZXHLBE-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC2CCC2)CC1 ZINC000957720673 1215378111 /nfs/dbraw/zinc/37/81/11/1215378111.db2.gz UHGFWVWTZXHLBE-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000959907923 1216219281 /nfs/dbraw/zinc/21/92/81/1216219281.db2.gz CYPSLCOSXCJPSO-GDAAHCPNSA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000959907923 1216219283 /nfs/dbraw/zinc/21/92/83/1216219283.db2.gz CYPSLCOSXCJPSO-GDAAHCPNSA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000959907923 1216219285 /nfs/dbraw/zinc/21/92/85/1216219285.db2.gz CYPSLCOSXCJPSO-GDAAHCPNSA-N 2 1 331.504 2.264 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199642 1217084906 /nfs/dbraw/zinc/08/49/06/1217084906.db2.gz LARFNRJVJBQIJD-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961220270 1217095041 /nfs/dbraw/zinc/09/50/41/1217095041.db2.gz KICZACFPSBFTFO-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376817 1217164595 /nfs/dbraw/zinc/16/45/95/1217164595.db2.gz DJDMOWHSWNUZGM-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376817 1217164596 /nfs/dbraw/zinc/16/45/96/1217164596.db2.gz DJDMOWHSWNUZGM-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376817 1217164599 /nfs/dbraw/zinc/16/45/99/1217164599.db2.gz DJDMOWHSWNUZGM-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961407358 1217178212 /nfs/dbraw/zinc/17/82/12/1217178212.db2.gz XFQFYWYVDRDING-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961407358 1217178214 /nfs/dbraw/zinc/17/82/14/1217178214.db2.gz XFQFYWYVDRDING-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961407358 1217178215 /nfs/dbraw/zinc/17/82/15/1217178215.db2.gz XFQFYWYVDRDING-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000965064961 1218869432 /nfs/dbraw/zinc/86/94/32/1218869432.db2.gz RZJRSKYCXPMLOU-HOUHCIJLSA-N 2 1 325.884 2.240 20 30 EEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1CC ZINC001037922566 1220346639 /nfs/dbraw/zinc/34/66/39/1220346639.db2.gz BNYKLXROLAYRPR-DOTOQJQBSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968327900 1221212199 /nfs/dbraw/zinc/21/21/99/1221212199.db2.gz UNTPDGDSQKELSF-MAUKXSAKSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968327900 1221212203 /nfs/dbraw/zinc/21/22/03/1221212203.db2.gz UNTPDGDSQKELSF-MAUKXSAKSA-N 2 1 346.475 2.287 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928467 1221678946 /nfs/dbraw/zinc/67/89/46/1221678946.db2.gz LNRUVYOQECKZTN-RTBURBONSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928467 1221678947 /nfs/dbraw/zinc/67/89/47/1221678947.db2.gz LNRUVYOQECKZTN-RTBURBONSA-N 2 1 333.520 2.491 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000968967500 1221705931 /nfs/dbraw/zinc/70/59/31/1221705931.db2.gz RSLHSVSWZDHWDL-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001016690377 1226783388 /nfs/dbraw/zinc/78/33/88/1226783388.db2.gz KCAXDAFEINMELY-CABCVRRESA-N 2 1 325.884 2.194 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016788590 1226878575 /nfs/dbraw/zinc/87/85/75/1226878575.db2.gz BRNFXNIOZXBPQF-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001016818034 1226901461 /nfs/dbraw/zinc/90/14/61/1226901461.db2.gz ABZFMKRILBBXME-DNVCBOLYSA-N 2 1 337.483 2.356 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001018985207 1228607153 /nfs/dbraw/zinc/60/71/53/1228607153.db2.gz LZCSHVXZGWLWOO-HOJAQTOUSA-N 2 1 339.483 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001018985207 1228607158 /nfs/dbraw/zinc/60/71/58/1228607158.db2.gz LZCSHVXZGWLWOO-HOJAQTOUSA-N 2 1 339.483 2.344 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001038718495 1229995076 /nfs/dbraw/zinc/99/50/76/1229995076.db2.gz TYDBLMPNMYGELQ-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038718495 1229995082 /nfs/dbraw/zinc/99/50/82/1229995082.db2.gz TYDBLMPNMYGELQ-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038718495 1229995088 /nfs/dbraw/zinc/99/50/88/1229995088.db2.gz TYDBLMPNMYGELQ-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137349 1230350571 /nfs/dbraw/zinc/35/05/71/1230350571.db2.gz GTCPDDWVLBPWLM-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137349 1230350575 /nfs/dbraw/zinc/35/05/75/1230350575.db2.gz GTCPDDWVLBPWLM-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137349 1230350581 /nfs/dbraw/zinc/35/05/81/1230350581.db2.gz GTCPDDWVLBPWLM-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CC[N@H+](C(C)C)C3)CC2)CC1 ZINC001039182101 1230408378 /nfs/dbraw/zinc/40/83/78/1230408378.db2.gz IXGHSIDQZWKZLL-HXUWFJFHSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CC[N@H+](CC=C)C2)CC1 ZINC001039250430 1230486226 /nfs/dbraw/zinc/48/62/26/1230486226.db2.gz KKXCJLQDQGFYCF-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039474970 1230638890 /nfs/dbraw/zinc/63/88/90/1230638890.db2.gz UVULHWAIPMVZHG-AABGKKOBSA-N 2 1 339.483 2.378 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039474970 1230638892 /nfs/dbraw/zinc/63/88/92/1230638892.db2.gz UVULHWAIPMVZHG-AABGKKOBSA-N 2 1 339.483 2.378 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040497031 1231263469 /nfs/dbraw/zinc/26/34/69/1231263469.db2.gz POSQMDCBYWNVFA-LJQANCHMSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001040732286 1231351803 /nfs/dbraw/zinc/35/18/03/1231351803.db2.gz ZZZHWQUHYMPGAV-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001040732286 1231351804 /nfs/dbraw/zinc/35/18/04/1231351804.db2.gz ZZZHWQUHYMPGAV-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845862 1231729014 /nfs/dbraw/zinc/72/90/14/1231729014.db2.gz PVIPZFDHGCUJEL-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042365011 1232047434 /nfs/dbraw/zinc/04/74/34/1232047434.db2.gz ICOOADUQSUKFOI-UYAOXDASSA-N 2 1 339.483 2.308 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001045200918 1233576876 /nfs/dbraw/zinc/57/68/76/1233576876.db2.gz VCKSPKIKNGSVRO-CABCVRRESA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045986675 1234282756 /nfs/dbraw/zinc/28/27/56/1234282756.db2.gz XZKQNZOSVNWMRT-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986675 1234282758 /nfs/dbraw/zinc/28/27/58/1234282758.db2.gz XZKQNZOSVNWMRT-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986675 1234282760 /nfs/dbraw/zinc/28/27/60/1234282760.db2.gz XZKQNZOSVNWMRT-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001046946509 1235340316 /nfs/dbraw/zinc/34/03/16/1235340316.db2.gz WGYWAJLSDKRXPF-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001046946509 1235340319 /nfs/dbraw/zinc/34/03/19/1235340319.db2.gz WGYWAJLSDKRXPF-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001046946509 1235340322 /nfs/dbraw/zinc/34/03/22/1235340322.db2.gz WGYWAJLSDKRXPF-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097920 1239993306 /nfs/dbraw/zinc/99/33/06/1239993306.db2.gz XCJBITDNMDCZPQ-BBWFWOEESA-N 2 1 339.911 2.392 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)CC1 ZINC001000290754 1240136340 /nfs/dbraw/zinc/13/63/40/1240136340.db2.gz WDCHEOWEFSUCDH-MOPGFXCFSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049525453 1241249171 /nfs/dbraw/zinc/24/91/71/1241249171.db2.gz QPHGHBMSGOREIZ-XUVXKRRUSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049525453 1241249179 /nfs/dbraw/zinc/24/91/79/1241249179.db2.gz QPHGHBMSGOREIZ-XUVXKRRUSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049525453 1241249186 /nfs/dbraw/zinc/24/91/86/1241249186.db2.gz QPHGHBMSGOREIZ-XUVXKRRUSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049526188 1241250635 /nfs/dbraw/zinc/25/06/35/1241250635.db2.gz UFTMYCQKYAMSNL-IPMKNSEASA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049526188 1241250637 /nfs/dbraw/zinc/25/06/37/1241250637.db2.gz UFTMYCQKYAMSNL-IPMKNSEASA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049526188 1241250641 /nfs/dbraw/zinc/25/06/41/1241250641.db2.gz UFTMYCQKYAMSNL-IPMKNSEASA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)C ZINC001049530002 1241264011 /nfs/dbraw/zinc/26/40/11/1241264011.db2.gz UZHMSZKEVLBUIF-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)C ZINC001049530002 1241264021 /nfs/dbraw/zinc/26/40/21/1241264021.db2.gz UZHMSZKEVLBUIF-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)C ZINC001049530002 1241264032 /nfs/dbraw/zinc/26/40/32/1241264032.db2.gz UZHMSZKEVLBUIF-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)C ZINC001049530002 1241264038 /nfs/dbraw/zinc/26/40/38/1241264038.db2.gz UZHMSZKEVLBUIF-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2cncc2C1 ZINC001049554917 1241394194 /nfs/dbraw/zinc/39/41/94/1241394194.db2.gz ILGWTIZUNUIBIU-BHIYHBOVSA-N 2 1 342.487 2.477 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913374 1242676656 /nfs/dbraw/zinc/67/66/56/1242676656.db2.gz WJUCFTLVQLQSTG-VQTJNVASSA-N 2 1 339.483 2.450 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001050081214 1242804410 /nfs/dbraw/zinc/80/44/10/1242804410.db2.gz SFARUEDLGVQULX-MAUKXSAKSA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001050081214 1242804415 /nfs/dbraw/zinc/80/44/15/1242804415.db2.gz SFARUEDLGVQULX-MAUKXSAKSA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001050103415 1242876042 /nfs/dbraw/zinc/87/60/42/1242876042.db2.gz ILNAAFXEMKRBJX-IPMKNSEASA-N 2 1 331.504 2.360 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001050125582 1242932654 /nfs/dbraw/zinc/93/26/54/1242932654.db2.gz BAUVHEGNMFAWRF-YQVWRLOYSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001050125582 1242932661 /nfs/dbraw/zinc/93/26/61/1242932661.db2.gz BAUVHEGNMFAWRF-YQVWRLOYSA-N 2 1 342.487 2.253 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001050158797 1243007054 /nfs/dbraw/zinc/00/70/54/1243007054.db2.gz XUKOZRSIUJSBNV-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001050158797 1243007063 /nfs/dbraw/zinc/00/70/63/1243007063.db2.gz XUKOZRSIUJSBNV-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097580842 1244381395 /nfs/dbraw/zinc/38/13/95/1244381395.db2.gz LBBREAGEPMMZQK-RLLQIKCJSA-N 2 1 339.483 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053032969 1245725754 /nfs/dbraw/zinc/72/57/54/1245725754.db2.gz QKZUETCSHBWQSB-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001052248884 1246758964 /nfs/dbraw/zinc/75/89/64/1246758964.db2.gz BBSMSFJAZVWWAT-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001052248884 1246758978 /nfs/dbraw/zinc/75/89/78/1246758978.db2.gz BBSMSFJAZVWWAT-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001052248884 1246758997 /nfs/dbraw/zinc/75/89/97/1246758997.db2.gz BBSMSFJAZVWWAT-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054135820 1247489958 /nfs/dbraw/zinc/48/99/58/1247489958.db2.gz JZJPUIWJLOFSOD-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135820 1247489961 /nfs/dbraw/zinc/48/99/61/1247489961.db2.gz JZJPUIWJLOFSOD-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054135820 1247489969 /nfs/dbraw/zinc/48/99/69/1247489969.db2.gz JZJPUIWJLOFSOD-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001054159398 1247563947 /nfs/dbraw/zinc/56/39/47/1247563947.db2.gz VFUJVEKWFZARPO-FQEVSTJZSA-N 2 1 336.439 2.204 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001099106929 1257971032 /nfs/dbraw/zinc/97/10/32/1257971032.db2.gz SDBGWDMHXLPKSH-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106929 1257971041 /nfs/dbraw/zinc/97/10/41/1257971041.db2.gz SDBGWDMHXLPKSH-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106929 1257971046 /nfs/dbraw/zinc/97/10/46/1257971046.db2.gz SDBGWDMHXLPKSH-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115953 1257976799 /nfs/dbraw/zinc/97/67/99/1257976799.db2.gz LYYDERDBFMPMNN-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099115953 1257976804 /nfs/dbraw/zinc/97/68/04/1257976804.db2.gz LYYDERDBFMPMNN-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001099115953 1257976814 /nfs/dbraw/zinc/97/68/14/1257976814.db2.gz LYYDERDBFMPMNN-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001099522963 1258190447 /nfs/dbraw/zinc/19/04/47/1258190447.db2.gz XSNIHNWXXCWDFZ-VJANTYMQSA-N 2 1 345.531 2.463 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000815652388 1278166483 /nfs/dbraw/zinc/16/64/83/1278166483.db2.gz AEFPHDDABCTWBF-UHFFFAOYSA-N 2 1 328.504 2.266 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000815652388 1278166490 /nfs/dbraw/zinc/16/64/90/1278166490.db2.gz AEFPHDDABCTWBF-UHFFFAOYSA-N 2 1 328.504 2.266 20 30 EEEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201044448 1287271476 /nfs/dbraw/zinc/27/14/76/1287271476.db2.gz WFAWDKGTPHQMPS-GOSISDBHSA-N 2 1 337.508 2.033 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001187276947 1279474052 /nfs/dbraw/zinc/47/40/52/1279474052.db2.gz YGRQXNIUXDJSSG-LJQANCHMSA-N 2 1 345.462 2.100 20 30 EEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192353808 1281945827 /nfs/dbraw/zinc/94/58/27/1281945827.db2.gz ICZNVCJKWVPZCH-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001192353808 1281945836 /nfs/dbraw/zinc/94/58/36/1281945836.db2.gz ICZNVCJKWVPZCH-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001192353808 1281945839 /nfs/dbraw/zinc/94/58/39/1281945839.db2.gz ICZNVCJKWVPZCH-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001193569433 1282566428 /nfs/dbraw/zinc/56/64/28/1282566428.db2.gz BTTKAMRKCIWCTC-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001193571135 1282568038 /nfs/dbraw/zinc/56/80/38/1282568038.db2.gz QDOAASQQWVRKNF-OAHLLOKOSA-N 2 1 348.516 2.384 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CCCO1 ZINC001201560180 1289667597 /nfs/dbraw/zinc/66/75/97/1289667597.db2.gz YXSDMQMTPXKJLA-QGZVFWFLSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCCO1 ZINC001201638948 1289688081 /nfs/dbraw/zinc/68/80/81/1289688081.db2.gz FLDZDSFVDWFWOF-GOSISDBHSA-N 2 1 348.491 2.145 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001073077003 1296500500 /nfs/dbraw/zinc/50/05/00/1296500500.db2.gz AQRKPVOGCWAWOQ-UHFFFAOYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001073077003 1296500506 /nfs/dbraw/zinc/50/05/06/1296500506.db2.gz AQRKPVOGCWAWOQ-UHFFFAOYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001073850410 1297599535 /nfs/dbraw/zinc/59/95/35/1297599535.db2.gz BSBSZENYJHGUHF-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001073850410 1297599551 /nfs/dbraw/zinc/59/95/51/1297599551.db2.gz BSBSZENYJHGUHF-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001073850410 1297599561 /nfs/dbraw/zinc/59/95/61/1297599561.db2.gz BSBSZENYJHGUHF-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Br)C[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001223604470 1300190578 /nfs/dbraw/zinc/19/05/78/1300190578.db2.gz JAKVJUAHGOGOGJ-CQSZACIVSA-N 2 1 346.313 2.063 20 30 EEEDMP C#CCN1CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001224857007 1300759873 /nfs/dbraw/zinc/75/98/73/1300759873.db2.gz FWSYFKJRGAPKDP-FGTMMUONSA-N 2 1 348.535 2.140 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001224857007 1300759877 /nfs/dbraw/zinc/75/98/77/1300759877.db2.gz FWSYFKJRGAPKDP-FGTMMUONSA-N 2 1 348.535 2.140 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001224857007 1300759880 /nfs/dbraw/zinc/75/98/80/1300759880.db2.gz FWSYFKJRGAPKDP-FGTMMUONSA-N 2 1 348.535 2.140 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001224857007 1300759882 /nfs/dbraw/zinc/75/98/82/1300759882.db2.gz FWSYFKJRGAPKDP-FGTMMUONSA-N 2 1 348.535 2.140 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001224857007 1300759887 /nfs/dbraw/zinc/75/98/87/1300759887.db2.gz FWSYFKJRGAPKDP-FGTMMUONSA-N 2 1 348.535 2.140 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225542267 1301049275 /nfs/dbraw/zinc/04/92/75/1301049275.db2.gz JMQBQCJGXYZPQV-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC/C=C\CC)C[C@H]2C)CC1 ZINC001102596540 1301269440 /nfs/dbraw/zinc/26/94/40/1301269440.db2.gz LXRFDLZAUBALOB-CWHLKURSSA-N 2 1 345.531 2.372 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102612875 1301288132 /nfs/dbraw/zinc/28/81/32/1301288132.db2.gz BCMMIGQHQUQVSM-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102612875 1301288136 /nfs/dbraw/zinc/28/81/36/1301288136.db2.gz BCMMIGQHQUQVSM-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102612875 1301288147 /nfs/dbraw/zinc/28/81/47/1301288147.db2.gz BCMMIGQHQUQVSM-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102612875 1301288155 /nfs/dbraw/zinc/28/81/55/1301288155.db2.gz BCMMIGQHQUQVSM-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1)C1CC1 ZINC001227818369 1301976633 /nfs/dbraw/zinc/97/66/33/1301976633.db2.gz VMXVIXACXARVEP-KRWDZBQOSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495896 1303035349 /nfs/dbraw/zinc/03/53/49/1303035349.db2.gz YBVXETAMVIPCAJ-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495896 1303035353 /nfs/dbraw/zinc/03/53/53/1303035353.db2.gz YBVXETAMVIPCAJ-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495896 1303035367 /nfs/dbraw/zinc/03/53/67/1303035367.db2.gz YBVXETAMVIPCAJ-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001230374289 1303183259 /nfs/dbraw/zinc/18/32/59/1303183259.db2.gz NQLZYHIEWAHBRV-UHFFFAOYSA-N 2 1 334.489 2.041 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001230374289 1303183266 /nfs/dbraw/zinc/18/32/66/1303183266.db2.gz NQLZYHIEWAHBRV-UHFFFAOYSA-N 2 1 334.489 2.041 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@@H](C1CC1)[NH+](C)C)Cc1cccnc1 ZINC001230778105 1303449703 /nfs/dbraw/zinc/44/97/03/1303449703.db2.gz IRNHGEJJUWKEJU-LJQANCHMSA-N 2 1 344.503 2.306 20 30 EEEDMP N#CCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12 ZINC001277949180 1305253565 /nfs/dbraw/zinc/25/35/65/1305253565.db2.gz TZVBLZIRBRNLQM-QZTJIDSGSA-N 2 1 344.503 2.135 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CCN(CCC[NH+](C)C)CC3)cc1C#N ZINC001278049808 1305789968 /nfs/dbraw/zinc/78/99/68/1305789968.db2.gz RTSILRZUCLRSFS-UHFFFAOYSA-N 2 1 343.519 2.136 20 30 EEEDMP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCC[NH+](C)C)CC3)cc1C#N ZINC001278049808 1305789977 /nfs/dbraw/zinc/78/99/77/1305789977.db2.gz RTSILRZUCLRSFS-UHFFFAOYSA-N 3 1 343.519 2.136 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](CCC[NH+](C)C)CC3)cc1C#N ZINC001278049808 1305789983 /nfs/dbraw/zinc/78/99/83/1305789983.db2.gz RTSILRZUCLRSFS-UHFFFAOYSA-N 3 1 343.519 2.136 20 30 EEEDMP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001121595622 1310064239 /nfs/dbraw/zinc/06/42/39/1310064239.db2.gz UIUXWIWHSSVQFF-IKGGRYGDSA-N 2 1 346.523 2.192 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001121595622 1310064247 /nfs/dbraw/zinc/06/42/47/1310064247.db2.gz UIUXWIWHSSVQFF-IKGGRYGDSA-N 2 1 346.523 2.192 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001121595622 1310064255 /nfs/dbraw/zinc/06/42/55/1310064255.db2.gz UIUXWIWHSSVQFF-IKGGRYGDSA-N 2 1 346.523 2.192 20 30 EEEDMP C=CCN1CC[C@@]2(C[N@H+](C3CC[NH2+]CC3)C[C@@H]2c2ccccc2)C1=O ZINC001246705767 1310388309 /nfs/dbraw/zinc/38/83/09/1310388309.db2.gz YQCDBILIDRXTCT-CTNGQTDRSA-N 2 1 339.483 2.243 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C12CCC2 ZINC001203105339 1315058872 /nfs/dbraw/zinc/05/88/72/1315058872.db2.gz WZBRDRDAQKJKNY-IAGOWNOFSA-N 2 1 346.475 2.333 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150394448 1316254116 /nfs/dbraw/zinc/25/41/16/1316254116.db2.gz JFFZJLQIYLJRTK-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C)c1 ZINC001153868445 1316905015 /nfs/dbraw/zinc/90/50/15/1316905015.db2.gz SFELHSGOSDUSFN-QAPCUYQASA-N 2 1 347.528 2.481 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(C)c1 ZINC001153868445 1316905017 /nfs/dbraw/zinc/90/50/17/1316905017.db2.gz SFELHSGOSDUSFN-QAPCUYQASA-N 2 1 347.528 2.481 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C)c1 ZINC001153868445 1316905019 /nfs/dbraw/zinc/90/50/19/1316905019.db2.gz SFELHSGOSDUSFN-QAPCUYQASA-N 2 1 347.528 2.481 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1csc(C)c1 ZINC001153868445 1316905020 /nfs/dbraw/zinc/90/50/20/1316905020.db2.gz SFELHSGOSDUSFN-QAPCUYQASA-N 2 1 347.528 2.481 20 30 EEEDMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662003 1318157986 /nfs/dbraw/zinc/15/79/86/1318157986.db2.gz ATOZJHVDKALEEQ-JKEDJMADSA-N 2 1 342.491 2.144 20 30 EEEDMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662003 1318157993 /nfs/dbraw/zinc/15/79/93/1318157993.db2.gz ATOZJHVDKALEEQ-JKEDJMADSA-N 2 1 342.491 2.144 20 30 EEEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662003 1318157998 /nfs/dbraw/zinc/15/79/98/1318157998.db2.gz ATOZJHVDKALEEQ-JKEDJMADSA-N 2 1 342.491 2.144 20 30 EEEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662003 1318158004 /nfs/dbraw/zinc/15/80/04/1318158004.db2.gz ATOZJHVDKALEEQ-JKEDJMADSA-N 2 1 342.491 2.144 20 30 EEEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097768 1319010448 /nfs/dbraw/zinc/01/04/48/1319010448.db2.gz DWDREJKLOVTBCB-OAHLLOKOSA-N 2 1 327.900 2.489 20 30 EEEDMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1C#N ZINC001158450442 1319246325 /nfs/dbraw/zinc/24/63/25/1319246325.db2.gz QUSZXKDWSOIONR-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1C#N ZINC001158450442 1319246331 /nfs/dbraw/zinc/24/63/31/1319246331.db2.gz QUSZXKDWSOIONR-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704689 1320595195 /nfs/dbraw/zinc/59/51/95/1320595195.db2.gz GBEXTMZBGVHYHP-RTBURBONSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCC3CC3)CC2)CC1 ZINC001161946763 1320688016 /nfs/dbraw/zinc/68/80/16/1320688016.db2.gz BPCWCJKNILCTSW-UHFFFAOYSA-N 2 1 343.515 2.270 20 30 EEEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947004 1320689868 /nfs/dbraw/zinc/68/98/68/1320689868.db2.gz RFNWSJQJLCVPKU-LJQANCHMSA-N 2 1 325.456 2.061 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947004 1320689873 /nfs/dbraw/zinc/68/98/73/1320689873.db2.gz RFNWSJQJLCVPKU-LJQANCHMSA-N 2 1 325.456 2.061 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205284297 1322342137 /nfs/dbraw/zinc/34/21/37/1322342137.db2.gz LIPMOHXLHVUSSA-IRXDYDNUSA-N 2 1 339.911 2.442 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452837 1323142909 /nfs/dbraw/zinc/14/29/09/1323142909.db2.gz RSCPBGUSBPWNET-ZWKOTPCHSA-N 2 1 333.451 2.238 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205462468 1323147897 /nfs/dbraw/zinc/14/78/97/1323147897.db2.gz ZDCYFEKZDAMLEP-LJQANCHMSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206024033 1323372689 /nfs/dbraw/zinc/37/26/89/1323372689.db2.gz XXHNNVHMUXKPOQ-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001208599057 1324581806 /nfs/dbraw/zinc/58/18/06/1324581806.db2.gz DJIBCARIGJYBAK-GOSISDBHSA-N 2 1 332.492 2.254 20 30 EEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001208604754 1324585894 /nfs/dbraw/zinc/58/58/94/1324585894.db2.gz SZGXIMHUQZRFQU-MJGOQNOKSA-N 2 1 335.492 2.439 20 30 EEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001208604754 1324585901 /nfs/dbraw/zinc/58/59/01/1324585901.db2.gz SZGXIMHUQZRFQU-MJGOQNOKSA-N 2 1 335.492 2.439 20 30 EEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001208604754 1324585906 /nfs/dbraw/zinc/58/59/06/1324585906.db2.gz SZGXIMHUQZRFQU-MJGOQNOKSA-N 2 1 335.492 2.439 20 30 EEEDMP N#Cc1ccc(CC[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001208924083 1324720906 /nfs/dbraw/zinc/72/09/06/1324720906.db2.gz VTIYALNVBQDABB-UHFFFAOYSA-N 2 1 349.482 2.451 20 30 EEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209232561 1324866811 /nfs/dbraw/zinc/86/68/11/1324866811.db2.gz KGXAAVZUJVRSKW-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3cc(C#N)ccn3)(C1)CCC2 ZINC001276687363 1325353241 /nfs/dbraw/zinc/35/32/41/1325353241.db2.gz CEHZWCYEQRFNNA-RBUKOAKNSA-N 2 1 327.476 2.039 20 30 EEEDMP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H]1CCCC[N@@H+]1CCC ZINC001574614416 1343689026 /nfs/dbraw/zinc/68/90/26/1343689026.db2.gz AZBSILPKPMEFDS-IRXDYDNUSA-N 2 1 344.507 2.037 20 30 EEEDMP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001574925330 1343712503 /nfs/dbraw/zinc/71/25/03/1343712503.db2.gz NPSWHIXUNDGXGN-CVEARBPZSA-N 2 1 332.496 2.057 20 30 EEEDMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1OC ZINC001198903163 1368652081 /nfs/dbraw/zinc/65/20/81/1368652081.db2.gz VXKAZYJQNSILDH-SJLPKXTDSA-N 2 1 345.487 2.360 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001488683372 1369029860 /nfs/dbraw/zinc/02/98/60/1369029860.db2.gz FQYSKKRHKDBNSH-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001488683372 1369029863 /nfs/dbraw/zinc/02/98/63/1369029863.db2.gz FQYSKKRHKDBNSH-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001488683372 1369029869 /nfs/dbraw/zinc/02/98/69/1369029869.db2.gz FQYSKKRHKDBNSH-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001488683372 1369029875 /nfs/dbraw/zinc/02/98/75/1369029875.db2.gz FQYSKKRHKDBNSH-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000111386429 1369345188 /nfs/dbraw/zinc/34/51/88/1369345188.db2.gz AVWQFVHGEAKTLB-FUHWJXTLSA-N 2 1 331.460 2.304 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103643842 1371043957 /nfs/dbraw/zinc/04/39/57/1371043957.db2.gz SOARKZVXYVTUNC-FVQBIDKESA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103643842 1371043964 /nfs/dbraw/zinc/04/39/64/1371043964.db2.gz SOARKZVXYVTUNC-FVQBIDKESA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103643842 1371043970 /nfs/dbraw/zinc/04/39/70/1371043970.db2.gz SOARKZVXYVTUNC-FVQBIDKESA-N 2 1 327.900 2.155 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CCCC1 ZINC001367317139 1374149300 /nfs/dbraw/zinc/14/93/00/1374149300.db2.gz SJGGUWKMYUBVSG-GOSISDBHSA-N 2 1 340.471 2.171 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001374384673 1376755491 /nfs/dbraw/zinc/75/54/91/1376755491.db2.gz NNMGMKAGCNAYJC-PBHICJAKSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)s1 ZINC001374500977 1376880688 /nfs/dbraw/zinc/88/06/88/1376880688.db2.gz DZFBIYNSJIAIRP-KRWDZBQOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001374500977 1376880673 /nfs/dbraw/zinc/88/06/73/1376880673.db2.gz DZFBIYNSJIAIRP-KRWDZBQOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001374500977 1376880678 /nfs/dbraw/zinc/88/06/78/1376880678.db2.gz DZFBIYNSJIAIRP-KRWDZBQOSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001374500977 1376880690 /nfs/dbraw/zinc/88/06/90/1376880690.db2.gz DZFBIYNSJIAIRP-KRWDZBQOSA-N 2 1 348.516 2.384 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001377413793 1379220906 /nfs/dbraw/zinc/22/09/06/1379220906.db2.gz RKBQHJMEBUUWQB-RTBURBONSA-N 2 1 342.487 2.225 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001378205017 1379785519 /nfs/dbraw/zinc/78/55/19/1379785519.db2.gz VRMNTAHDNNEKGG-KSSFIOAISA-N 2 1 348.466 2.220 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001390569862 1388685251 /nfs/dbraw/zinc/68/52/51/1388685251.db2.gz BKLFNYNZNRIZHF-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001392961023 1390261575 /nfs/dbraw/zinc/26/15/75/1390261575.db2.gz BZWWUROASGFBRG-ZDUSSCGKSA-N 2 1 344.297 2.008 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001392961023 1390261578 /nfs/dbraw/zinc/26/15/78/1390261578.db2.gz BZWWUROASGFBRG-ZDUSSCGKSA-N 2 1 344.297 2.008 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001393618512 1390496705 /nfs/dbraw/zinc/49/67/05/1390496705.db2.gz LHZSEAWSGJNQEE-VQIMIIECSA-N 2 1 342.487 2.179 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001393618512 1390496707 /nfs/dbraw/zinc/49/67/07/1390496707.db2.gz LHZSEAWSGJNQEE-VQIMIIECSA-N 2 1 342.487 2.179 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001393618512 1390496709 /nfs/dbraw/zinc/49/67/09/1390496709.db2.gz LHZSEAWSGJNQEE-VQIMIIECSA-N 2 1 342.487 2.179 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCC[NH+]1C ZINC001424307134 1401044430 /nfs/dbraw/zinc/04/44/30/1401044430.db2.gz KCIDUWZTTTUBLZ-GOSISDBHSA-N 2 1 346.450 2.072 20 30 EEEDMP CN(CCC[NH+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001424307134 1401044438 /nfs/dbraw/zinc/04/44/38/1401044438.db2.gz KCIDUWZTTTUBLZ-GOSISDBHSA-N 2 1 346.450 2.072 20 30 EEEDMP CN(CCC[NH+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCC[N@H+]1C ZINC001424307134 1401044445 /nfs/dbraw/zinc/04/44/45/1401044445.db2.gz KCIDUWZTTTUBLZ-GOSISDBHSA-N 2 1 346.450 2.072 20 30 EEEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001755185233 1407190370 /nfs/dbraw/zinc/19/03/70/1407190370.db2.gz ZNHBNNBSRKYRPL-UHFFFAOYSA-N 2 1 333.520 2.446 20 30 EEEDMP C=CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001567182478 1403500905 /nfs/dbraw/zinc/50/09/05/1403500905.db2.gz GTLFCEWOFFCTFP-IBGZPJMESA-N 2 1 329.488 2.495 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001755408133 1407416857 /nfs/dbraw/zinc/41/68/57/1407416857.db2.gz RNKPPSYDMHZLJA-DLBZAZTESA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001755408133 1407416872 /nfs/dbraw/zinc/41/68/72/1407416872.db2.gz RNKPPSYDMHZLJA-DLBZAZTESA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001755408133 1407416895 /nfs/dbraw/zinc/41/68/95/1407416895.db2.gz RNKPPSYDMHZLJA-DLBZAZTESA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001755408133 1407416902 /nfs/dbraw/zinc/41/69/02/1407416902.db2.gz RNKPPSYDMHZLJA-DLBZAZTESA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001755408139 1407416993 /nfs/dbraw/zinc/41/69/93/1407416993.db2.gz RNKPPSYDMHZLJA-SJORKVTESA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001755408139 1407417002 /nfs/dbraw/zinc/41/70/02/1407417002.db2.gz RNKPPSYDMHZLJA-SJORKVTESA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001755408139 1407417009 /nfs/dbraw/zinc/41/70/09/1407417009.db2.gz RNKPPSYDMHZLJA-SJORKVTESA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001755408139 1407417018 /nfs/dbraw/zinc/41/70/18/1407417018.db2.gz RNKPPSYDMHZLJA-SJORKVTESA-N 2 1 339.524 2.114 20 30 EEEDMP CC[C@H](C(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C)[NH+](C)C ZINC001700578369 1405655577 /nfs/dbraw/zinc/65/55/77/1405655577.db2.gz NUJLLAFEBPWIBQ-MOPGFXCFSA-N 2 1 341.499 2.205 20 30 EEEDMP CC[C@H](C(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C)[NH+](C)C ZINC001700578369 1405655585 /nfs/dbraw/zinc/65/55/85/1405655585.db2.gz NUJLLAFEBPWIBQ-MOPGFXCFSA-N 2 1 341.499 2.205 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001755741036 1407800434 /nfs/dbraw/zinc/80/04/34/1407800434.db2.gz CZQDZTAALJNIMS-UXHICEINSA-N 2 1 341.499 2.059 20 30 EEEDMP CC(C)[N@H+](C)Cc1nn(-c2ncc(C#N)cc2Cl)c2c1CC[NH2+]C2 ZINC001164683018 719604625 /nfs/dbraw/zinc/60/46/25/719604625.db2.gz HDQBAQHCDMNGGZ-UHFFFAOYSA-N 2 1 344.850 2.278 20 30 EEEDMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(C#N)cc2Cl)c2c1CC[NH2+]C2 ZINC001164683018 719604629 /nfs/dbraw/zinc/60/46/29/719604629.db2.gz HDQBAQHCDMNGGZ-UHFFFAOYSA-N 2 1 344.850 2.278 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104288281 757958105 /nfs/dbraw/zinc/95/81/05/757958105.db2.gz VGYPXWCEBDQDQD-GUDVDZBRSA-N 2 1 333.520 2.062 20 30 EEEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104375624 759892081 /nfs/dbraw/zinc/89/20/81/759892081.db2.gz VQNHIWLBIWHEJW-HZPDHXFCSA-N 2 1 348.491 2.390 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CC)CC2)CC1 ZINC001075453761 760705765 /nfs/dbraw/zinc/70/57/65/760705765.db2.gz AQMPCWGGJUUOCI-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001075453761 760705775 /nfs/dbraw/zinc/70/57/75/760705775.db2.gz AQMPCWGGJUUOCI-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CC)CC2)CC1 ZINC001075453761 760705784 /nfs/dbraw/zinc/70/57/84/760705784.db2.gz AQMPCWGGJUUOCI-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CC)CC2)CC1 ZINC001075453761 760705793 /nfs/dbraw/zinc/70/57/93/760705793.db2.gz AQMPCWGGJUUOCI-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CC)CC2)CC1 ZINC001075453761 760705802 /nfs/dbraw/zinc/70/58/02/760705802.db2.gz AQMPCWGGJUUOCI-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992122 782734658 /nfs/dbraw/zinc/73/46/58/782734658.db2.gz FAMNSFYKOQVTBK-QRVBRYPASA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992122 782734661 /nfs/dbraw/zinc/73/46/61/782734661.db2.gz FAMNSFYKOQVTBK-QRVBRYPASA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992122 782734668 /nfs/dbraw/zinc/73/46/68/782734668.db2.gz FAMNSFYKOQVTBK-QRVBRYPASA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992123 782735636 /nfs/dbraw/zinc/73/56/36/782735636.db2.gz FAMNSFYKOQVTBK-QYZOEREBSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992123 782735662 /nfs/dbraw/zinc/73/56/62/782735662.db2.gz FAMNSFYKOQVTBK-QYZOEREBSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992123 782735667 /nfs/dbraw/zinc/73/56/67/782735667.db2.gz FAMNSFYKOQVTBK-QYZOEREBSA-N 2 1 333.520 2.321 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)CC1 ZINC001040849744 770370345 /nfs/dbraw/zinc/37/03/45/770370345.db2.gz WBNMFSFQXRDJHZ-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565706 770433791 /nfs/dbraw/zinc/43/37/91/770433791.db2.gz XGDZBBZLPMDTEW-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565706 770433793 /nfs/dbraw/zinc/43/37/93/770433793.db2.gz XGDZBBZLPMDTEW-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565706 770433795 /nfs/dbraw/zinc/43/37/95/770433795.db2.gz XGDZBBZLPMDTEW-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166568 783011595 /nfs/dbraw/zinc/01/15/95/783011595.db2.gz HYCHHNUVRFTARA-HSALFYBXSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166568 783011604 /nfs/dbraw/zinc/01/16/04/783011604.db2.gz HYCHHNUVRFTARA-HSALFYBXSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088166568 783011607 /nfs/dbraw/zinc/01/16/07/783011607.db2.gz HYCHHNUVRFTARA-HSALFYBXSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001088211604 783062124 /nfs/dbraw/zinc/06/21/24/783062124.db2.gz RKOXURBAFQPVTR-IKGGRYGDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]2C1 ZINC001088211604 783062125 /nfs/dbraw/zinc/06/21/25/783062125.db2.gz RKOXURBAFQPVTR-IKGGRYGDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001088211604 783062128 /nfs/dbraw/zinc/06/21/28/783062128.db2.gz RKOXURBAFQPVTR-IKGGRYGDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088211604 783062133 /nfs/dbraw/zinc/06/21/33/783062133.db2.gz RKOXURBAFQPVTR-IKGGRYGDSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001089649227 773742241 /nfs/dbraw/zinc/74/22/41/773742241.db2.gz DZEYXPDARKKTGD-IRXDYDNUSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649227 773742247 /nfs/dbraw/zinc/74/22/47/773742247.db2.gz DZEYXPDARKKTGD-IRXDYDNUSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649227 773742248 /nfs/dbraw/zinc/74/22/48/773742248.db2.gz DZEYXPDARKKTGD-IRXDYDNUSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980138972 773928230 /nfs/dbraw/zinc/92/82/30/773928230.db2.gz IEOLWAZQURGSTR-OKZBNKHCSA-N 2 1 336.439 2.188 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980169841 774000543 /nfs/dbraw/zinc/00/05/43/774000543.db2.gz JJAVZLZHEYLKIV-RCCFBDPRSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001027930054 774554609 /nfs/dbraw/zinc/55/46/09/774554609.db2.gz MAEDYMQAZBANPM-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027930054 774554611 /nfs/dbraw/zinc/55/46/11/774554611.db2.gz MAEDYMQAZBANPM-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001027930054 774554617 /nfs/dbraw/zinc/55/46/17/774554617.db2.gz MAEDYMQAZBANPM-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089719686 774685512 /nfs/dbraw/zinc/68/55/12/774685512.db2.gz JFSHJKYRHCPFAT-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@H]12 ZINC000991784508 790478569 /nfs/dbraw/zinc/47/85/69/790478569.db2.gz QBMXTOACGFLZKA-PKOBYXMFSA-N 2 1 337.427 2.180 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001089846211 777802132 /nfs/dbraw/zinc/80/21/32/777802132.db2.gz KWWHPYYLVUHXMJ-VJANTYMQSA-N 2 1 343.515 2.053 20 30 EEEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163569 779183371 /nfs/dbraw/zinc/18/33/71/779183371.db2.gz HOMTXVFMFRIECT-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+]3CCC4)C[C@@]2(C)C1 ZINC000982344152 779814937 /nfs/dbraw/zinc/81/49/37/779814937.db2.gz UAMKICHTSGLGMT-KDURUIRLSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982430547 780134351 /nfs/dbraw/zinc/13/43/51/780134351.db2.gz ZCTIBHIIPIMIET-BGYRXZFFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035193437 784082194 /nfs/dbraw/zinc/08/21/94/784082194.db2.gz CNQPWPQHHQNIOM-INIZCTEOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678769 784214385 /nfs/dbraw/zinc/21/43/85/784214385.db2.gz ICMICJYUNXMFJT-HOTGVXAUSA-N 2 1 336.480 2.047 20 30 EEEDMP N#CC1(Nc2ncnc3c2C[NH2+]CC3)CC[NH+](Cc2ccccc2)CC1 ZINC001171273903 791103840 /nfs/dbraw/zinc/10/38/40/791103840.db2.gz FTJIBHCAJWZVDI-UHFFFAOYSA-N 2 1 348.454 2.093 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001036119935 785817135 /nfs/dbraw/zinc/81/71/35/785817135.db2.gz ZEHVSLXSTAQHKZ-HOTGVXAUSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635754 805810894 /nfs/dbraw/zinc/81/08/94/805810894.db2.gz PWVZTPBUFWOBRO-RDGPPVDQSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635754 805810902 /nfs/dbraw/zinc/81/09/02/805810902.db2.gz PWVZTPBUFWOBRO-RDGPPVDQSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635754 805810913 /nfs/dbraw/zinc/81/09/13/805810913.db2.gz PWVZTPBUFWOBRO-RDGPPVDQSA-N 2 1 349.519 2.033 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001109652588 805830527 /nfs/dbraw/zinc/83/05/27/805830527.db2.gz BFTQWFZSHQVBLS-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC000946846364 788565829 /nfs/dbraw/zinc/56/58/29/788565829.db2.gz YQMWANJVOMDFMN-BGYRXZFFSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000997093781 788775966 /nfs/dbraw/zinc/77/59/66/788775966.db2.gz OEEYAYHBIKPZAG-HOTGVXAUSA-N 2 1 325.884 2.336 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC(C)CC2)C1 ZINC001030031464 789100125 /nfs/dbraw/zinc/10/01/25/789100125.db2.gz LVSYGRBYSRNOLQ-GUMHCPJTSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991502413 789144218 /nfs/dbraw/zinc/14/42/18/789144218.db2.gz KLJBHMSHTXWUOQ-PKOBYXMFSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991502413 789144226 /nfs/dbraw/zinc/14/42/26/789144226.db2.gz KLJBHMSHTXWUOQ-PKOBYXMFSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2CC[NH3+])c(OC)c1 ZINC000923354056 789432847 /nfs/dbraw/zinc/43/28/47/789432847.db2.gz PWFWRAJQLQIKTO-ZWKOTPCHSA-N 2 1 348.487 2.367 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146331317 791173957 /nfs/dbraw/zinc/17/39/57/791173957.db2.gz AIFPEUYHFFEBFN-CABCVRRESA-N 2 1 339.443 2.136 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593037 791362154 /nfs/dbraw/zinc/36/21/54/791362154.db2.gz MRXXUSFAXAUDNT-QWHCGFSZSA-N 2 1 334.302 2.108 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001006185511 791435932 /nfs/dbraw/zinc/43/59/32/791435932.db2.gz XXWJULZRNDIPRC-UHFFFAOYSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998028743 791854335 /nfs/dbraw/zinc/85/43/35/791854335.db2.gz AGMXNJKDGIHYKD-IRXDYDNUSA-N 2 1 328.460 2.097 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998028743 791854337 /nfs/dbraw/zinc/85/43/37/791854337.db2.gz AGMXNJKDGIHYKD-IRXDYDNUSA-N 2 1 328.460 2.097 20 30 EEEDMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001147822850 791982001 /nfs/dbraw/zinc/98/20/01/791982001.db2.gz BUWWACHXFOXXMG-RDTXWAMCSA-N 2 1 346.450 2.024 20 30 EEEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001107981753 792356569 /nfs/dbraw/zinc/35/65/69/792356569.db2.gz FLIDNRHRXSRJAS-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC000992191729 793160895 /nfs/dbraw/zinc/16/08/95/793160895.db2.gz RPLSFAYEMFEPLE-YVWKXTFCSA-N 2 1 342.487 2.443 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC000992191729 793160905 /nfs/dbraw/zinc/16/09/05/793160905.db2.gz RPLSFAYEMFEPLE-YVWKXTFCSA-N 2 1 342.487 2.443 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809339 793280902 /nfs/dbraw/zinc/28/09/02/793280902.db2.gz CHOGOJSLOFUWEP-GGPKGHCWSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809339 793280908 /nfs/dbraw/zinc/28/09/08/793280908.db2.gz CHOGOJSLOFUWEP-GGPKGHCWSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809339 793280915 /nfs/dbraw/zinc/28/09/15/793280915.db2.gz CHOGOJSLOFUWEP-GGPKGHCWSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092061030 793525573 /nfs/dbraw/zinc/52/55/73/793525573.db2.gz HOSJMLCCWRZZOU-APWZRJJASA-N 2 1 330.476 2.363 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092061030 793525576 /nfs/dbraw/zinc/52/55/76/793525576.db2.gz HOSJMLCCWRZZOU-APWZRJJASA-N 2 1 330.476 2.363 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304529 793781132 /nfs/dbraw/zinc/78/11/32/793781132.db2.gz MFMKNIXFINSNQG-HBFSDRIKSA-N 2 1 327.472 2.256 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304529 793781141 /nfs/dbraw/zinc/78/11/41/793781141.db2.gz MFMKNIXFINSNQG-HBFSDRIKSA-N 2 1 327.472 2.256 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992374723 793867423 /nfs/dbraw/zinc/86/74/23/793867423.db2.gz YFIXOSCFPHFTKR-AZUAARDMSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992374730 793867715 /nfs/dbraw/zinc/86/77/15/793867715.db2.gz YFIXOSCFPHFTKR-QUCCMNQESA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000999391939 794404158 /nfs/dbraw/zinc/40/41/58/794404158.db2.gz OEPBUUDUGPCHSX-MJGOQNOKSA-N 2 1 343.446 2.004 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842384 795425771 /nfs/dbraw/zinc/42/57/71/795425771.db2.gz OHIDPLZBSFSVIA-OALUTQOASA-N 2 1 327.472 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871117 795596347 /nfs/dbraw/zinc/59/63/47/795596347.db2.gz GVVILYYPQRNZOA-RDJZCZTQSA-N 2 1 328.460 2.260 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871117 795596351 /nfs/dbraw/zinc/59/63/51/795596351.db2.gz GVVILYYPQRNZOA-RDJZCZTQSA-N 2 1 328.460 2.260 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902896 796441759 /nfs/dbraw/zinc/44/17/59/796441759.db2.gz RQHGGKKVIRAGSO-ICSRJNTNSA-N 2 1 339.483 2.308 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902985 796441830 /nfs/dbraw/zinc/44/18/30/796441830.db2.gz SXITUAZYRWGDMU-MJGOQNOKSA-N 2 1 327.472 2.471 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106764990 796481463 /nfs/dbraw/zinc/48/14/63/796481463.db2.gz JAFYNKWVLTXEQM-CZUORRHYSA-N 2 1 338.883 2.408 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161508 796537312 /nfs/dbraw/zinc/53/73/12/796537312.db2.gz HUTUWBZOLZIQPC-XWSJACJDSA-N 2 1 331.504 2.242 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161508 796537314 /nfs/dbraw/zinc/53/73/14/796537314.db2.gz HUTUWBZOLZIQPC-XWSJACJDSA-N 2 1 331.504 2.242 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001171725042 796704724 /nfs/dbraw/zinc/70/47/24/796704724.db2.gz FISAEFYSABXLNP-UHFFFAOYSA-N 2 1 334.439 2.025 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001082557025 797587545 /nfs/dbraw/zinc/58/75/45/797587545.db2.gz LXXAXNIWAVPDCP-VNQPRFMTSA-N 2 1 327.900 2.153 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001099306438 797880864 /nfs/dbraw/zinc/88/08/64/797880864.db2.gz CRMQIXWDZHSAAW-MGPQQGTHSA-N 2 1 333.398 2.026 20 30 EEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174929169 797919570 /nfs/dbraw/zinc/91/95/70/797919570.db2.gz OHVBQOGFZXNWBH-NVXWUHKLSA-N 2 1 330.476 2.042 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCC(C)CC3)C2)CC1 ZINC001016335106 798671316 /nfs/dbraw/zinc/67/13/16/798671316.db2.gz AQVFXEOEXNIICZ-AFMYVXGZSA-N 2 1 345.531 2.348 20 30 EEEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001016340513 798727774 /nfs/dbraw/zinc/72/77/74/798727774.db2.gz XOKSLLXXKGOLFN-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001016340513 798727777 /nfs/dbraw/zinc/72/77/77/798727777.db2.gz XOKSLLXXKGOLFN-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001016340513 798727781 /nfs/dbraw/zinc/72/77/81/798727781.db2.gz XOKSLLXXKGOLFN-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001016340513 798727785 /nfs/dbraw/zinc/72/77/85/798727785.db2.gz XOKSLLXXKGOLFN-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)[C@H]1C ZINC001178747517 799609884 /nfs/dbraw/zinc/60/98/84/799609884.db2.gz ZTHODFWIWMPLKC-MPGHIAIKSA-N 2 1 345.491 2.335 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)[C@H]1C ZINC001178747517 799609889 /nfs/dbraw/zinc/60/98/89/799609889.db2.gz ZTHODFWIWMPLKC-MPGHIAIKSA-N 2 1 345.491 2.335 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001180222610 800315672 /nfs/dbraw/zinc/31/56/72/800315672.db2.gz QLZJGQRAOIEHLD-LPHOPBHVSA-N 2 1 345.462 2.096 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001085819875 801358160 /nfs/dbraw/zinc/35/81/60/801358160.db2.gz KMUAKFCSGDQEDV-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001085819875 801358165 /nfs/dbraw/zinc/35/81/65/801358165.db2.gz KMUAKFCSGDQEDV-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946616207 802175178 /nfs/dbraw/zinc/17/51/78/802175178.db2.gz ZQDRLQFCTDBUIE-IYBDPMFKSA-N 2 1 345.512 2.227 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC[C@@H]2C1 ZINC000946624007 802294625 /nfs/dbraw/zinc/29/46/25/802294625.db2.gz YJIZAMJYEYPFKC-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)CC[C@@H]2C1 ZINC000946624007 802294628 /nfs/dbraw/zinc/29/46/28/802294628.db2.gz YJIZAMJYEYPFKC-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)CC[C@@H]2C1 ZINC000946624007 802294629 /nfs/dbraw/zinc/29/46/29/802294629.db2.gz YJIZAMJYEYPFKC-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185235095 802435569 /nfs/dbraw/zinc/43/55/69/802435569.db2.gz MCDOTZJGKGXKPS-QZTJIDSGSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033159972 802685412 /nfs/dbraw/zinc/68/54/12/802685412.db2.gz CDXCPIHBSAUSKX-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033159972 802685418 /nfs/dbraw/zinc/68/54/18/802685418.db2.gz CDXCPIHBSAUSKX-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033159972 802685424 /nfs/dbraw/zinc/68/54/24/802685424.db2.gz CDXCPIHBSAUSKX-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001033159972 802685429 /nfs/dbraw/zinc/68/54/29/802685429.db2.gz CDXCPIHBSAUSKX-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001033159972 802685437 /nfs/dbraw/zinc/68/54/37/802685437.db2.gz CDXCPIHBSAUSKX-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169807962 804083720 /nfs/dbraw/zinc/08/37/20/804083720.db2.gz AHDBIEKABCWBIR-APWZRJJASA-N 2 1 342.487 2.417 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001445868769 1091792191 /nfs/dbraw/zinc/79/21/91/1091792191.db2.gz HSLNNEJSCVGYBA-KRWDZBQOSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Br)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001447304162 1102408268 /nfs/dbraw/zinc/40/82/68/1102408268.db2.gz LJWUHJSTEOZUTH-CQSZACIVSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001447304162 1102408271 /nfs/dbraw/zinc/40/82/71/1102408271.db2.gz LJWUHJSTEOZUTH-CQSZACIVSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001447304162 1102408274 /nfs/dbraw/zinc/40/82/74/1102408274.db2.gz LJWUHJSTEOZUTH-CQSZACIVSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001447304162 1102408279 /nfs/dbraw/zinc/40/82/79/1102408279.db2.gz LJWUHJSTEOZUTH-CQSZACIVSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001480708782 1106921528 /nfs/dbraw/zinc/92/15/28/1106921528.db2.gz QQIPLFRJDOCHIA-ZIAGYGMSSA-N 2 1 346.313 2.254 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001480708779 1106930471 /nfs/dbraw/zinc/93/04/71/1106930471.db2.gz QQIPLFRJDOCHIA-KGLIPLIRSA-N 2 1 346.313 2.254 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396217 781923333 /nfs/dbraw/zinc/92/33/33/781923333.db2.gz JRCFRMUFIDETBU-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000491717297 533164308 /nfs/dbraw/zinc/16/43/08/533164308.db2.gz WAMXTVUOMVPMPS-KRWDZBQOSA-N 2 1 327.472 2.148 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000328736049 465113506 /nfs/dbraw/zinc/11/35/06/465113506.db2.gz JJKRMZNZFMEENQ-ZNNBLSDJSA-N 2 1 336.480 2.399 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000328736049 465113510 /nfs/dbraw/zinc/11/35/10/465113510.db2.gz JJKRMZNZFMEENQ-ZNNBLSDJSA-N 2 1 336.480 2.399 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000328736049 465113517 /nfs/dbraw/zinc/11/35/17/465113517.db2.gz JJKRMZNZFMEENQ-ZNNBLSDJSA-N 2 1 336.480 2.399 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CC#N)cc1 ZINC000270248784 464233428 /nfs/dbraw/zinc/23/34/28/464233428.db2.gz DYXDIIXFLKJRIV-LJQANCHMSA-N 2 1 342.487 2.241 20 30 EEEDMP COCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270547574 464260842 /nfs/dbraw/zinc/26/08/42/464260842.db2.gz FFAPPXDIYJQNPT-WFASDCNBSA-N 2 1 342.846 2.023 20 30 EEEDMP C[N@H+]1CCC[C@@H](N2CCN(CCCOc3ccc(C#N)cc3)CC2)C1 ZINC000363219526 466290829 /nfs/dbraw/zinc/29/08/29/466290829.db2.gz SPAHIOHCPINOHV-LJQANCHMSA-N 2 1 342.487 2.039 20 30 EEEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)C1 ZINC000363219526 466290838 /nfs/dbraw/zinc/29/08/38/466290838.db2.gz SPAHIOHCPINOHV-LJQANCHMSA-N 2 1 342.487 2.039 20 30 EEEDMP CN(c1ccc(Cl)c(C#N)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377998432 467178470 /nfs/dbraw/zinc/17/84/70/467178470.db2.gz PVAIFQHNMMMSRR-AWEZNQCLSA-N 2 1 333.867 2.211 20 30 EEEDMP CN(c1ccc(Cl)c(C#N)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377998432 467178474 /nfs/dbraw/zinc/17/84/74/467178474.db2.gz PVAIFQHNMMMSRR-AWEZNQCLSA-N 2 1 333.867 2.211 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449120563 467619571 /nfs/dbraw/zinc/61/95/71/467619571.db2.gz DGONPQHFTDPTLY-OAHLLOKOSA-N 2 1 336.501 2.434 20 30 EEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600714671 468630395 /nfs/dbraw/zinc/63/03/95/468630395.db2.gz BBXROSLALKFUSN-ZIFCJYIRSA-N 2 1 345.487 2.256 20 30 EEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000595504075 468879889 /nfs/dbraw/zinc/87/98/89/468879889.db2.gz DRKQHBMDWRIDPR-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000595504075 468879893 /nfs/dbraw/zinc/87/98/93/468879893.db2.gz DRKQHBMDWRIDPR-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000595504075 468879895 /nfs/dbraw/zinc/87/98/95/468879895.db2.gz DRKQHBMDWRIDPR-LJQANCHMSA-N 2 1 326.444 2.305 20 30 EEEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844391 469113011 /nfs/dbraw/zinc/11/30/11/469113011.db2.gz CYKMKTHDUZZNGM-INIZCTEOSA-N 2 1 349.438 2.493 20 30 EEEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844391 469113017 /nfs/dbraw/zinc/11/30/17/469113017.db2.gz CYKMKTHDUZZNGM-INIZCTEOSA-N 2 1 349.438 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000730098467 576714311 /nfs/dbraw/zinc/71/43/11/576714311.db2.gz GUWRSBYXJFDCMT-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000730098467 576714313 /nfs/dbraw/zinc/71/43/13/576714313.db2.gz GUWRSBYXJFDCMT-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000730098797 576714841 /nfs/dbraw/zinc/71/48/41/576714841.db2.gz QQDXCGIABCDFPY-SFHVURJKSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000730098797 576714843 /nfs/dbraw/zinc/71/48/43/576714843.db2.gz QQDXCGIABCDFPY-SFHVURJKSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001021285148 675916474 /nfs/dbraw/zinc/91/64/74/675916474.db2.gz CXFCGGUVPGKSAA-IPQPSQTFSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001021285148 675916476 /nfs/dbraw/zinc/91/64/76/675916476.db2.gz CXFCGGUVPGKSAA-IPQPSQTFSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001021285148 675916480 /nfs/dbraw/zinc/91/64/80/675916480.db2.gz CXFCGGUVPGKSAA-IPQPSQTFSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001021285148 675916482 /nfs/dbraw/zinc/91/64/82/675916482.db2.gz CXFCGGUVPGKSAA-IPQPSQTFSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001021285148 675916483 /nfs/dbraw/zinc/91/64/83/675916483.db2.gz CXFCGGUVPGKSAA-IPQPSQTFSA-N 2 1 331.504 2.242 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000969865125 675266280 /nfs/dbraw/zinc/26/62/80/675266280.db2.gz KCKCVLBJOSBDEK-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000969865125 675266285 /nfs/dbraw/zinc/26/62/85/675266285.db2.gz KCKCVLBJOSBDEK-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021683589 676339812 /nfs/dbraw/zinc/33/98/12/676339812.db2.gz ZWEOEKPKPDKBBC-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021683589 676339813 /nfs/dbraw/zinc/33/98/13/676339813.db2.gz ZWEOEKPKPDKBBC-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CC(C)C)CC[C@@H]32)CC1 ZINC001021740187 676399323 /nfs/dbraw/zinc/39/93/23/676399323.db2.gz RCMBDWZJSBFDSF-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001022068977 676633319 /nfs/dbraw/zinc/63/33/19/676633319.db2.gz FGONMBREJIEFSE-VBQJREDUSA-N 2 1 346.500 2.229 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC000972329758 678552247 /nfs/dbraw/zinc/55/22/47/678552247.db2.gz BBBPVYQZYONQLW-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000972329758 678552251 /nfs/dbraw/zinc/55/22/51/678552251.db2.gz BBBPVYQZYONQLW-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000972329758 678552255 /nfs/dbraw/zinc/55/22/55/678552255.db2.gz BBBPVYQZYONQLW-APWZRJJASA-N 2 1 340.471 2.075 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947556693 679312752 /nfs/dbraw/zinc/31/27/52/679312752.db2.gz SFCZCAHXEMUSIL-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947556693 679312754 /nfs/dbraw/zinc/31/27/54/679312754.db2.gz SFCZCAHXEMUSIL-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001026894255 685260923 /nfs/dbraw/zinc/26/09/23/685260923.db2.gz YSMMCAIOOFZLNB-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001026894255 685260926 /nfs/dbraw/zinc/26/09/26/685260926.db2.gz YSMMCAIOOFZLNB-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001028601585 681349972 /nfs/dbraw/zinc/34/99/72/681349972.db2.gz QPRUWFFQIFIOMM-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001028601585 681349976 /nfs/dbraw/zinc/34/99/76/681349976.db2.gz QPRUWFFQIFIOMM-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028601585 681349980 /nfs/dbraw/zinc/34/99/80/681349980.db2.gz QPRUWFFQIFIOMM-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028601585 681349984 /nfs/dbraw/zinc/34/99/84/681349984.db2.gz QPRUWFFQIFIOMM-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024987112 681673427 /nfs/dbraw/zinc/67/34/27/681673427.db2.gz CBEZLANXQCFDLW-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024987112 681673428 /nfs/dbraw/zinc/67/34/28/681673428.db2.gz CBEZLANXQCFDLW-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642170 681950462 /nfs/dbraw/zinc/95/04/62/681950462.db2.gz QQQNIIZMYGSNHH-JYAXBFRTSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982642170 681950463 /nfs/dbraw/zinc/95/04/63/681950463.db2.gz QQQNIIZMYGSNHH-JYAXBFRTSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982642170 681950465 /nfs/dbraw/zinc/95/04/65/681950465.db2.gz QQQNIIZMYGSNHH-JYAXBFRTSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025253979 682343031 /nfs/dbraw/zinc/34/30/31/682343031.db2.gz YSUKLSGYKQGDKA-OALUTQOASA-N 2 1 336.439 2.427 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029108446 683163407 /nfs/dbraw/zinc/16/34/07/683163407.db2.gz JIKNSIULOXZVEG-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029108446 683163408 /nfs/dbraw/zinc/16/34/08/683163408.db2.gz JIKNSIULOXZVEG-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000984042787 684013774 /nfs/dbraw/zinc/01/37/74/684013774.db2.gz PKXSBNJUZOPDRJ-GUDVDZBRSA-N 2 1 340.471 2.027 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001029843184 687293316 /nfs/dbraw/zinc/29/33/16/687293316.db2.gz FHXJQWZPJAMJSA-MOPGFXCFSA-N 2 1 342.487 2.179 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CC(C)C2)CC1 ZINC001029971009 688748260 /nfs/dbraw/zinc/74/82/60/688748260.db2.gz CEGCUDLDPFTWMU-UUKMXZOPSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC(C)C2)CC1 ZINC001029971009 688748265 /nfs/dbraw/zinc/74/82/65/688748265.db2.gz CEGCUDLDPFTWMU-UUKMXZOPSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CC(C)C2)CC1 ZINC001029971009 688748267 /nfs/dbraw/zinc/74/82/67/688748267.db2.gz CEGCUDLDPFTWMU-UUKMXZOPSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CC(C)C2)CC1 ZINC001029971009 688748271 /nfs/dbraw/zinc/74/82/71/688748271.db2.gz CEGCUDLDPFTWMU-UUKMXZOPSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CC(C)C2)CC1 ZINC001029971009 688748274 /nfs/dbraw/zinc/74/82/74/688748274.db2.gz CEGCUDLDPFTWMU-UUKMXZOPSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241291 692086206 /nfs/dbraw/zinc/08/62/06/692086206.db2.gz MWFCFJBALDUZTG-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241291 692086210 /nfs/dbraw/zinc/08/62/10/692086210.db2.gz MWFCFJBALDUZTG-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241291 692086213 /nfs/dbraw/zinc/08/62/13/692086213.db2.gz MWFCFJBALDUZTG-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943518899 1192328722 /nfs/dbraw/zinc/32/87/22/1192328722.db2.gz UDULCCUNQKWLSU-APWZRJJASA-N 2 1 327.472 2.212 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947909229 1192500371 /nfs/dbraw/zinc/50/03/71/1192500371.db2.gz YGSUHHNTHCEBGA-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943756882 1192535949 /nfs/dbraw/zinc/53/59/49/1192535949.db2.gz XGJBVDCUQKAVCB-GOEBONIOSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943756882 1192535950 /nfs/dbraw/zinc/53/59/50/1192535950.db2.gz XGJBVDCUQKAVCB-GOEBONIOSA-N 2 1 327.900 2.297 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001107039781 1192997216 /nfs/dbraw/zinc/99/72/16/1192997216.db2.gz YQTCIRUCWPGYDK-VQIMIIECSA-N 2 1 342.487 2.083 20 30 EEEDMP C=C(Cl)CN(CCNC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001481184616 1180022451 /nfs/dbraw/zinc/02/24/51/1180022451.db2.gz RCFDUWZJMIJVEE-HNNXBMFYSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(=C)C)C[C@H]2C)CC1 ZINC000945177593 1193413666 /nfs/dbraw/zinc/41/36/66/1193413666.db2.gz BKFOCKMKKHRLNE-IEBWSBKVSA-N 2 1 331.504 2.124 20 30 EEEDMP C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001273038908 1194344092 /nfs/dbraw/zinc/34/40/92/1194344092.db2.gz KJMFUDJTTLHCJQ-HXUWFJFHSA-N 2 1 347.503 2.136 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033777377 1195262299 /nfs/dbraw/zinc/26/22/99/1195262299.db2.gz VIFDQZNONZTPBT-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)c2cc([C@H]3CCCN3C)n[nH]2)CC1 ZINC001005406874 1195408785 /nfs/dbraw/zinc/40/87/85/1195408785.db2.gz JEXWCJCLPGZNHE-GOSISDBHSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001005406874 1195408790 /nfs/dbraw/zinc/40/87/90/1195408790.db2.gz JEXWCJCLPGZNHE-GOSISDBHSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001005406874 1195408792 /nfs/dbraw/zinc/40/87/92/1195408792.db2.gz JEXWCJCLPGZNHE-GOSISDBHSA-N 2 1 345.491 2.289 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001034973016 1196929461 /nfs/dbraw/zinc/92/94/61/1196929461.db2.gz JSBJCAHNQYRLRK-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541574 1199837978 /nfs/dbraw/zinc/83/79/78/1199837978.db2.gz HMRUCSLHAFYJTP-IEBWSBKVSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541574 1199837980 /nfs/dbraw/zinc/83/79/80/1199837980.db2.gz HMRUCSLHAFYJTP-IEBWSBKVSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541574 1199837983 /nfs/dbraw/zinc/83/79/83/1199837983.db2.gz HMRUCSLHAFYJTP-IEBWSBKVSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541574 1199837986 /nfs/dbraw/zinc/83/79/86/1199837986.db2.gz HMRUCSLHAFYJTP-IEBWSBKVSA-N 2 1 327.472 2.111 20 30 EEEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])N3CCCCC3)c2)CCO1 ZINC000104180149 1204612905 /nfs/dbraw/zinc/61/29/05/1204612905.db2.gz VDEVWQNIIAKJCJ-INIZCTEOSA-N 2 1 330.476 2.208 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])N3CCCCC3)c2)CCO1 ZINC000104180149 1204612908 /nfs/dbraw/zinc/61/29/08/1204612908.db2.gz VDEVWQNIIAKJCJ-INIZCTEOSA-N 2 1 330.476 2.208 20 30 EEEDMP COCCC[N@H+]1CCC[C@]2(CCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001274940287 1205211106 /nfs/dbraw/zinc/21/11/06/1205211106.db2.gz XQAVUYWSTJJQDI-IBGZPJMESA-N 2 1 330.476 2.221 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCn2ccnc2)c1 ZINC001275268503 1205294931 /nfs/dbraw/zinc/29/49/31/1205294931.db2.gz GQGXAIJNLRPQJN-RTBURBONSA-N 2 1 349.438 2.020 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@H]3CCCN3C)n[nH]1)C2 ZINC001095442329 1205758421 /nfs/dbraw/zinc/75/84/21/1205758421.db2.gz VTYVVBQJAVJCSO-NONVJHHQSA-N 2 1 343.475 2.088 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC(F)F ZINC000303770290 1213903994 /nfs/dbraw/zinc/90/39/94/1213903994.db2.gz BVJLSJCWJIWZBZ-CYBMUJFWSA-N 2 1 326.391 2.177 20 30 EEEDMP COc1ccccc1[C@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCCC1 ZINC000303782706 1213904544 /nfs/dbraw/zinc/90/45/44/1213904544.db2.gz NMKNVSHSCAKAPW-INIZCTEOSA-N 2 1 348.516 2.196 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC(C)C)cc1 ZINC000303891720 1213921275 /nfs/dbraw/zinc/92/12/75/1213921275.db2.gz NHCJTIGZFAYMGU-QGZVFWFLSA-N 2 1 332.492 2.405 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552200 1215203929 /nfs/dbraw/zinc/20/39/29/1215203929.db2.gz IOXKHAPSNMHETH-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568144 1215218701 /nfs/dbraw/zinc/21/87/01/1215218701.db2.gz FALVVFODDMODIX-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1coc(-c2ccccc2)n1 ZINC000304741421 1216102636 /nfs/dbraw/zinc/10/26/36/1216102636.db2.gz CCNIBSJCKJVPBN-MRXNPFEDSA-N 2 1 327.432 2.230 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000960323370 1216493116 /nfs/dbraw/zinc/49/31/16/1216493116.db2.gz GDJGJEPRQQSGIK-LSBZLQRGSA-N 2 1 347.890 2.453 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000960323370 1216493118 /nfs/dbraw/zinc/49/31/18/1216493118.db2.gz GDJGJEPRQQSGIK-LSBZLQRGSA-N 2 1 347.890 2.453 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961027850 1217013276 /nfs/dbraw/zinc/01/32/76/1217013276.db2.gz LDXRHFDJDVGMLC-LJQANCHMSA-N 2 1 340.471 2.077 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961027850 1217013277 /nfs/dbraw/zinc/01/32/77/1217013277.db2.gz LDXRHFDJDVGMLC-LJQANCHMSA-N 2 1 340.471 2.077 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961029016 1217014272 /nfs/dbraw/zinc/01/42/72/1217014272.db2.gz PRIPUTAFVPLLCG-OAHLLOKOSA-N 2 1 346.500 2.138 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230131 1217099334 /nfs/dbraw/zinc/09/93/34/1217099334.db2.gz KLTMRXQSZXMAAK-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230131 1217099336 /nfs/dbraw/zinc/09/93/36/1217099336.db2.gz KLTMRXQSZXMAAK-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961230131 1217099337 /nfs/dbraw/zinc/09/93/37/1217099337.db2.gz KLTMRXQSZXMAAK-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961277535 1217124022 /nfs/dbraw/zinc/12/40/22/1217124022.db2.gz SZVHMSDFTJTDHO-QZTJIDSGSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372589 1217570266 /nfs/dbraw/zinc/57/02/66/1217570266.db2.gz VSNVVMOPOLYPBH-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372589 1217570269 /nfs/dbraw/zinc/57/02/69/1217570269.db2.gz VSNVVMOPOLYPBH-ROUUACIJSA-N 2 1 342.487 2.343 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC ZINC001037868598 1219693756 /nfs/dbraw/zinc/69/37/56/1219693756.db2.gz BRXWNHMEQUJNBG-ZBFHGGJFSA-N 2 1 334.464 2.143 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001017150361 1221303277 /nfs/dbraw/zinc/30/32/77/1221303277.db2.gz RUUHOVPVEMFBGP-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017150361 1221303279 /nfs/dbraw/zinc/30/32/79/1221303279.db2.gz RUUHOVPVEMFBGP-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001017150361 1221303284 /nfs/dbraw/zinc/30/32/84/1221303284.db2.gz RUUHOVPVEMFBGP-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001017150361 1221303288 /nfs/dbraw/zinc/30/32/88/1221303288.db2.gz RUUHOVPVEMFBGP-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000968497312 1221353271 /nfs/dbraw/zinc/35/32/71/1221353271.db2.gz JKLGAINYQJIJHB-LPHOPBHVSA-N 2 1 336.439 2.336 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000968850745 1221621333 /nfs/dbraw/zinc/62/13/33/1221621333.db2.gz HICFFVCCYWNTAV-PBHICJAKSA-N 2 1 346.500 2.185 20 30 EEEDMP C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007493850 1222258680 /nfs/dbraw/zinc/25/86/80/1222258680.db2.gz VSYNZZZDCSVNTQ-HZPDHXFCSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001016335832 1226359005 /nfs/dbraw/zinc/35/90/05/1226359005.db2.gz GBZWATRGPBOYPF-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3csc(C)c3)C2)CC1 ZINC001016336859 1226360747 /nfs/dbraw/zinc/36/07/47/1226360747.db2.gz NTWKOIFZPSISBZ-GOSISDBHSA-N 2 1 345.512 2.092 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001016340732 1226367164 /nfs/dbraw/zinc/36/71/64/1226367164.db2.gz ZKEVZLDTNROUKZ-PMACEKPBSA-N 2 1 339.483 2.103 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016631500 1226706633 /nfs/dbraw/zinc/70/66/33/1226706633.db2.gz SSLMRKCIFCKCCM-XHSDSOJGSA-N 2 1 339.911 2.440 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001016818082 1226901238 /nfs/dbraw/zinc/90/12/38/1226901238.db2.gz BHIAMOKWMODRDG-UZLBHIALSA-N 2 1 349.494 2.193 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001017616857 1227575332 /nfs/dbraw/zinc/57/53/32/1227575332.db2.gz FGMVRSRTCCTHIC-BBWFWOEESA-N 2 1 328.460 2.402 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001017616857 1227575336 /nfs/dbraw/zinc/57/53/36/1227575336.db2.gz FGMVRSRTCCTHIC-BBWFWOEESA-N 2 1 328.460 2.402 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018938473 1228552406 /nfs/dbraw/zinc/55/24/06/1228552406.db2.gz PRDLUKYRXRXGBT-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001018985983 1228608077 /nfs/dbraw/zinc/60/80/77/1228608077.db2.gz PCQSKMHVFSSLCU-PMACEKPBSA-N 2 1 339.483 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001018985983 1228608078 /nfs/dbraw/zinc/60/80/78/1228608078.db2.gz PCQSKMHVFSSLCU-PMACEKPBSA-N 2 1 339.483 2.092 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)c2ccccc2)CC1 ZINC001039041535 1230258150 /nfs/dbraw/zinc/25/81/50/1230258150.db2.gz FAWPSJTWXLOIQM-XLIONFOSSA-N 2 1 339.483 2.283 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CCCC)C2)CC1 ZINC001039132646 1230342791 /nfs/dbraw/zinc/34/27/91/1230342791.db2.gz BKVFSJYRTXPHMV-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CCCC)C2)CC1 ZINC001039132646 1230342795 /nfs/dbraw/zinc/34/27/95/1230342795.db2.gz BKVFSJYRTXPHMV-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CCCC)C2)CC1 ZINC001039132646 1230342797 /nfs/dbraw/zinc/34/27/97/1230342797.db2.gz BKVFSJYRTXPHMV-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CCCC)C2)CC1 ZINC001039132646 1230342801 /nfs/dbraw/zinc/34/28/01/1230342801.db2.gz BKVFSJYRTXPHMV-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001039306022 1230518784 /nfs/dbraw/zinc/51/87/84/1230518784.db2.gz DNPTYELBNNZDSK-JLYLLQBASA-N 2 1 349.438 2.016 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039385095 1230570258 /nfs/dbraw/zinc/57/02/58/1230570258.db2.gz YBCRDWJSVHZQRP-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039385095 1230570261 /nfs/dbraw/zinc/57/02/61/1230570261.db2.gz YBCRDWJSVHZQRP-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039385095 1230570264 /nfs/dbraw/zinc/57/02/64/1230570264.db2.gz YBCRDWJSVHZQRP-QRVBRYPASA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040200914 1231096996 /nfs/dbraw/zinc/09/69/96/1231096996.db2.gz JHRKOIRJABWEQR-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040200914 1231097003 /nfs/dbraw/zinc/09/70/03/1231097003.db2.gz JHRKOIRJABWEQR-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040200914 1231097006 /nfs/dbraw/zinc/09/70/06/1231097006.db2.gz JHRKOIRJABWEQR-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C/C=C\Cl)C2 ZINC001040244821 1231129570 /nfs/dbraw/zinc/12/95/70/1231129570.db2.gz OESFOQNXJVLSFX-OIAIWYTBSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C/C=C\Cl)C2 ZINC001040244821 1231129572 /nfs/dbraw/zinc/12/95/72/1231129572.db2.gz OESFOQNXJVLSFX-OIAIWYTBSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C/C=C\Cl)C2 ZINC001040244821 1231129575 /nfs/dbraw/zinc/12/95/75/1231129575.db2.gz OESFOQNXJVLSFX-OIAIWYTBSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C/C=C\Cl)C2 ZINC001040244821 1231129577 /nfs/dbraw/zinc/12/95/77/1231129577.db2.gz OESFOQNXJVLSFX-OIAIWYTBSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC=C(C)C)C2 ZINC001040245089 1231129625 /nfs/dbraw/zinc/12/96/25/1231129625.db2.gz RHROVQTVVFJKLD-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC001040245089 1231129627 /nfs/dbraw/zinc/12/96/27/1231129627.db2.gz RHROVQTVVFJKLD-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040245089 1231129629 /nfs/dbraw/zinc/12/96/29/1231129629.db2.gz RHROVQTVVFJKLD-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040245089 1231129632 /nfs/dbraw/zinc/12/96/32/1231129632.db2.gz RHROVQTVVFJKLD-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845577 1231728776 /nfs/dbraw/zinc/72/87/76/1231728776.db2.gz ISBFYTRPEJNYSO-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001045385871 1233710726 /nfs/dbraw/zinc/71/07/26/1233710726.db2.gz ZXLQZUBEYVQATH-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001045385871 1233710730 /nfs/dbraw/zinc/71/07/30/1233710730.db2.gz ZXLQZUBEYVQATH-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1cncn1C)C2 ZINC001045982102 1234275320 /nfs/dbraw/zinc/27/53/20/1234275320.db2.gz NWYZTSDJFLNIGV-HXUWFJFHSA-N 2 1 342.487 2.081 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046942524 1235335925 /nfs/dbraw/zinc/33/59/25/1235335925.db2.gz KEGUUOZEQGCARD-JKSUJKDBSA-N 2 1 343.462 2.224 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046942524 1235335927 /nfs/dbraw/zinc/33/59/27/1235335927.db2.gz KEGUUOZEQGCARD-JKSUJKDBSA-N 2 1 343.462 2.224 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046942524 1235335929 /nfs/dbraw/zinc/33/59/29/1235335929.db2.gz KEGUUOZEQGCARD-JKSUJKDBSA-N 2 1 343.462 2.224 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583165 1238022179 /nfs/dbraw/zinc/02/21/79/1238022179.db2.gz DWACDOHKJYDAAW-OMZCGLGVSA-N 2 1 345.531 2.489 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821204 1238741013 /nfs/dbraw/zinc/74/10/13/1238741013.db2.gz VPHCZLNIMDNRBA-KURKYZTESA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821204 1238741031 /nfs/dbraw/zinc/74/10/31/1238741031.db2.gz VPHCZLNIMDNRBA-KURKYZTESA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821204 1238741038 /nfs/dbraw/zinc/74/10/38/1238741038.db2.gz VPHCZLNIMDNRBA-KURKYZTESA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049001548 1239711293 /nfs/dbraw/zinc/71/12/93/1239711293.db2.gz YOUWANVUIIOWRJ-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001548 1239711302 /nfs/dbraw/zinc/71/13/02/1239711302.db2.gz YOUWANVUIIOWRJ-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001548 1239711308 /nfs/dbraw/zinc/71/13/08/1239711308.db2.gz YOUWANVUIIOWRJ-QRVBRYPASA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049058614 1239884269 /nfs/dbraw/zinc/88/42/69/1239884269.db2.gz GTPPQMMPMYLZOX-JTDSTZFVSA-N 2 1 337.483 2.165 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049058614 1239884274 /nfs/dbraw/zinc/88/42/74/1239884274.db2.gz GTPPQMMPMYLZOX-JTDSTZFVSA-N 2 1 337.483 2.165 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049058614 1239884283 /nfs/dbraw/zinc/88/42/83/1239884283.db2.gz GTPPQMMPMYLZOX-JTDSTZFVSA-N 2 1 337.483 2.165 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC001000173250 1240024364 /nfs/dbraw/zinc/02/43/64/1240024364.db2.gz DXBZCFZHUKTQAH-QGZVFWFLSA-N 2 1 340.471 2.145 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001049147351 1240120120 /nfs/dbraw/zinc/12/01/20/1240120120.db2.gz UMJKEWGQEMQPOE-CALCHBBNSA-N 2 1 339.911 2.250 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC[C@H](C)F)CC1 ZINC001049909452 1242656684 /nfs/dbraw/zinc/65/66/84/1242656684.db2.gz BGNQRWSOINMKQF-QXAKKESOSA-N 2 1 349.494 2.145 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050140241 1242965634 /nfs/dbraw/zinc/96/56/34/1242965634.db2.gz KJUGTBPSCPTSNQ-SQGPQFPESA-N 2 1 349.494 2.145 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050140241 1242965642 /nfs/dbraw/zinc/96/56/42/1242965642.db2.gz KJUGTBPSCPTSNQ-SQGPQFPESA-N 2 1 349.494 2.145 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050140241 1242965651 /nfs/dbraw/zinc/96/56/51/1242965651.db2.gz KJUGTBPSCPTSNQ-SQGPQFPESA-N 2 1 349.494 2.145 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052789590 1244991461 /nfs/dbraw/zinc/99/14/61/1244991461.db2.gz YUUZNFIMDKBNKL-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC[C@@H](C)F)CC2)CC1 ZINC001052958381 1245557031 /nfs/dbraw/zinc/55/70/31/1245557031.db2.gz MPNKSAJDCAKPFZ-SJLPKXTDSA-N 2 1 337.483 2.050 20 30 EEEDMP C#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053099720 1245904612 /nfs/dbraw/zinc/90/46/12/1245904612.db2.gz XZWILHVLTRCISB-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053099720 1245904618 /nfs/dbraw/zinc/90/46/18/1245904618.db2.gz XZWILHVLTRCISB-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053099720 1245904623 /nfs/dbraw/zinc/90/46/23/1245904623.db2.gz XZWILHVLTRCISB-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101574864 1245978885 /nfs/dbraw/zinc/97/88/85/1245978885.db2.gz HGZFIUDHBNSPGO-FUHWJXTLSA-N 2 1 333.520 2.062 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448177 1247307858 /nfs/dbraw/zinc/30/78/58/1247307858.db2.gz WNQCUSOMRZLCMY-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448177 1247307866 /nfs/dbraw/zinc/30/78/66/1247307866.db2.gz WNQCUSOMRZLCMY-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448177 1247307884 /nfs/dbraw/zinc/30/78/84/1247307884.db2.gz WNQCUSOMRZLCMY-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129271 1247472427 /nfs/dbraw/zinc/47/24/27/1247472427.db2.gz NWBRKAQTJOUZCS-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129271 1247472431 /nfs/dbraw/zinc/47/24/31/1247472431.db2.gz NWBRKAQTJOUZCS-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129271 1247472434 /nfs/dbraw/zinc/47/24/34/1247472434.db2.gz NWBRKAQTJOUZCS-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001054140061 1247499819 /nfs/dbraw/zinc/49/98/19/1247499819.db2.gz YUNPDYODLJTGAB-LJQANCHMSA-N 2 1 345.512 2.371 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054190047 1247662364 /nfs/dbraw/zinc/66/23/64/1247662364.db2.gz BPSSLNSXUUUMKK-SFHVURJKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@@H](C)O2 ZINC001071243780 1254089417 /nfs/dbraw/zinc/08/94/17/1254089417.db2.gz LGJHASJJIUDLEW-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001098990958 1257918382 /nfs/dbraw/zinc/91/83/82/1257918382.db2.gz LKKMJOTWFIUCOT-HBFSDRIKSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001098990958 1257918391 /nfs/dbraw/zinc/91/83/91/1257918391.db2.gz LKKMJOTWFIUCOT-HBFSDRIKSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001098990958 1257918397 /nfs/dbraw/zinc/91/83/97/1257918397.db2.gz LKKMJOTWFIUCOT-HBFSDRIKSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001099495804 1258176630 /nfs/dbraw/zinc/17/66/30/1258176630.db2.gz CVLOBDVWBVZGQZ-VJANTYMQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001099495804 1258176634 /nfs/dbraw/zinc/17/66/34/1258176634.db2.gz CVLOBDVWBVZGQZ-VJANTYMQSA-N 2 1 342.487 2.327 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185789888 1278783340 /nfs/dbraw/zinc/78/33/40/1278783340.db2.gz WFPGBPGBPMHUIZ-ICSRJNTNSA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185789888 1278783344 /nfs/dbraw/zinc/78/33/44/1278783344.db2.gz WFPGBPGBPMHUIZ-ICSRJNTNSA-N 2 1 341.499 2.216 20 30 EEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190177605 1280723719 /nfs/dbraw/zinc/72/37/19/1280723719.db2.gz RBJCEXPOLNMJTM-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190177605 1280723731 /nfs/dbraw/zinc/72/37/31/1280723731.db2.gz RBJCEXPOLNMJTM-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190177605 1280723742 /nfs/dbraw/zinc/72/37/42/1280723742.db2.gz RBJCEXPOLNMJTM-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655898 1280998088 /nfs/dbraw/zinc/99/80/88/1280998088.db2.gz QYLMNARSBOUPHJ-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655898 1280998091 /nfs/dbraw/zinc/99/80/91/1280998091.db2.gz QYLMNARSBOUPHJ-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655898 1280998093 /nfs/dbraw/zinc/99/80/93/1280998093.db2.gz QYLMNARSBOUPHJ-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191029973 1281183703 /nfs/dbraw/zinc/18/37/03/1281183703.db2.gz PICKTPOIJDQHLE-SFHVURJKSA-N 2 1 330.476 2.407 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191030893 1281185083 /nfs/dbraw/zinc/18/50/83/1281185083.db2.gz XGMMDXBEJJNAOE-MRXNPFEDSA-N 2 1 336.867 2.193 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191030893 1281185086 /nfs/dbraw/zinc/18/50/86/1281185086.db2.gz XGMMDXBEJJNAOE-MRXNPFEDSA-N 2 1 336.867 2.193 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001192366963 1281952120 /nfs/dbraw/zinc/95/21/20/1281952120.db2.gz JIROWZHHLRUHLO-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001192366963 1281952121 /nfs/dbraw/zinc/95/21/21/1281952121.db2.gz JIROWZHHLRUHLO-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001192958167 1282246325 /nfs/dbraw/zinc/24/63/25/1282246325.db2.gz FPMYMAHGILSFCK-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198983993 1285460563 /nfs/dbraw/zinc/46/05/63/1285460563.db2.gz LLBNOFLRQJCLMX-SJLPKXTDSA-N 2 1 345.487 2.360 20 30 EEEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198985545 1285474228 /nfs/dbraw/zinc/47/42/28/1285474228.db2.gz ZPZYPWAURCQHHP-WMZOPIPTSA-N 2 1 345.487 2.360 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201558265 1289665237 /nfs/dbraw/zinc/66/52/37/1289665237.db2.gz NGOQLIMJVWXWLS-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001073111954 1296532572 /nfs/dbraw/zinc/53/25/72/1296532572.db2.gz FGPVWTYPRDMSIT-UHFFFAOYSA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001073116266 1296539107 /nfs/dbraw/zinc/53/91/07/1296539107.db2.gz IEKRQTHUZOMKGY-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073116266 1296539114 /nfs/dbraw/zinc/53/91/14/1296539114.db2.gz IEKRQTHUZOMKGY-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073116266 1296539122 /nfs/dbraw/zinc/53/91/22/1296539122.db2.gz IEKRQTHUZOMKGY-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCNc2ccc(C#N)cn2)[C@H](C)C1 ZINC000927166249 1297046935 /nfs/dbraw/zinc/04/69/35/1297046935.db2.gz UTXLVGIWHMEZIJ-SJLPKXTDSA-N 2 1 345.491 2.092 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801917 1297294776 /nfs/dbraw/zinc/29/47/76/1297294776.db2.gz XWNTWDJTLSDQPP-KZNAEPCWSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801917 1297294789 /nfs/dbraw/zinc/29/47/89/1297294789.db2.gz XWNTWDJTLSDQPP-KZNAEPCWSA-N 2 1 339.524 2.114 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC/C=C\CC)C[C@H]32)CC1 ZINC001222043889 1299299832 /nfs/dbraw/zinc/29/98/32/1299299832.db2.gz HAKVDSRWXWVPLP-SBUVDCAVSA-N 2 1 343.515 2.221 20 30 EEEDMP C=C(Br)C[NH+]1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224252803 1300508860 /nfs/dbraw/zinc/50/88/60/1300508860.db2.gz AEIPQRXQEJBSMW-UHFFFAOYSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001228095495 1302101797 /nfs/dbraw/zinc/10/17/97/1302101797.db2.gz AJWUQAXGCJLLBL-UHFFFAOYSA-N 2 1 336.867 2.241 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230619198 1303326823 /nfs/dbraw/zinc/32/68/23/1303326823.db2.gz VZPUMPGCLKKKDB-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1cccnc1 ZINC001230846361 1303497784 /nfs/dbraw/zinc/49/77/84/1303497784.db2.gz HDOUMRMMKLURLY-GOSISDBHSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1cccnc1 ZINC001230846361 1303497790 /nfs/dbraw/zinc/49/77/90/1303497790.db2.gz HDOUMRMMKLURLY-GOSISDBHSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1cccnc1 ZINC001230846361 1303497793 /nfs/dbraw/zinc/49/77/93/1303497793.db2.gz HDOUMRMMKLURLY-GOSISDBHSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112116966 1304254461 /nfs/dbraw/zinc/25/44/61/1304254461.db2.gz KTUHHNQARJROEZ-RRFJBIMHSA-N 2 1 347.425 2.416 20 30 EEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)[C@H]2CC ZINC001235487006 1305248836 /nfs/dbraw/zinc/24/88/36/1305248836.db2.gz DSRVUWLWDKKXIF-BXWFABGCSA-N 2 1 335.492 2.133 20 30 EEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)[C@H]2CC ZINC001235487006 1305248842 /nfs/dbraw/zinc/24/88/42/1305248842.db2.gz DSRVUWLWDKKXIF-BXWFABGCSA-N 2 1 335.492 2.133 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768780 1305753337 /nfs/dbraw/zinc/75/33/37/1305753337.db2.gz GSBPBAGHUFAWAQ-ZWKOTPCHSA-N 2 1 331.504 2.435 20 30 EEEDMP C=CCOc1ccccc1C[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001237430207 1305928226 /nfs/dbraw/zinc/92/82/26/1305928226.db2.gz KLJUVMHSXPLAFJ-QGZVFWFLSA-N 2 1 344.455 2.226 20 30 EEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120169847 1309363517 /nfs/dbraw/zinc/36/35/17/1309363517.db2.gz AVVWINWMPBOLOI-KRWDZBQOSA-N 2 1 337.508 2.082 20 30 EEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120169847 1309363527 /nfs/dbraw/zinc/36/35/27/1309363527.db2.gz AVVWINWMPBOLOI-KRWDZBQOSA-N 2 1 337.508 2.082 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448660 1309545142 /nfs/dbraw/zinc/54/51/42/1309545142.db2.gz DCAKGLOWBRLXOD-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001120470689 1309567137 /nfs/dbraw/zinc/56/71/37/1309567137.db2.gz SVNJDJJJIURCQS-RBUKOAKNSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001121117709 1309920804 /nfs/dbraw/zinc/92/08/04/1309920804.db2.gz QTANJENPUCBOPT-FKXCTXBZSA-N 2 1 331.504 2.454 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC001142349526 1315578556 /nfs/dbraw/zinc/57/85/56/1315578556.db2.gz BBYUJKIINUJUJI-IBGZPJMESA-N 2 1 342.487 2.060 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606585 1316314012 /nfs/dbraw/zinc/31/40/12/1316314012.db2.gz HGOPTFXURNTHRE-ZWKOTPCHSA-N 2 1 339.524 2.280 20 30 EEEDMP CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150706787 1316349823 /nfs/dbraw/zinc/34/98/23/1316349823.db2.gz NKRFCTYFRGTAKQ-QZTJIDSGSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001150706787 1316349824 /nfs/dbraw/zinc/34/98/24/1316349824.db2.gz NKRFCTYFRGTAKQ-QZTJIDSGSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150706787 1316349829 /nfs/dbraw/zinc/34/98/29/1316349829.db2.gz NKRFCTYFRGTAKQ-QZTJIDSGSA-N 2 1 339.524 2.116 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001150778315 1316372447 /nfs/dbraw/zinc/37/24/47/1316372447.db2.gz KKMJXZGBOSFIMG-RTBURBONSA-N 2 1 345.487 2.073 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001150778315 1316372453 /nfs/dbraw/zinc/37/24/53/1316372453.db2.gz KKMJXZGBOSFIMG-RTBURBONSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001151132535 1316456410 /nfs/dbraw/zinc/45/64/10/1316456410.db2.gz RSKOLUHQRWFNGE-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386713 1316665105 /nfs/dbraw/zinc/66/51/05/1316665105.db2.gz PBPJRSBZKYTXJT-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152386713 1316665108 /nfs/dbraw/zinc/66/51/08/1316665108.db2.gz PBPJRSBZKYTXJT-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152386713 1316665110 /nfs/dbraw/zinc/66/51/10/1316665110.db2.gz PBPJRSBZKYTXJT-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001159327201 1319740694 /nfs/dbraw/zinc/74/06/94/1319740694.db2.gz ACVSCLFEWZCLQF-SFHVURJKSA-N 2 1 328.460 2.029 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784087 1324148332 /nfs/dbraw/zinc/14/83/32/1324148332.db2.gz DSOCVEGJYLYQOD-SJLPKXTDSA-N 2 1 330.476 2.311 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001208090264 1324310817 /nfs/dbraw/zinc/31/08/17/1324310817.db2.gz PIEBEMPBJCBRCX-CRAIPNDOSA-N 2 1 345.491 2.337 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001208090264 1324310831 /nfs/dbraw/zinc/31/08/31/1324310831.db2.gz PIEBEMPBJCBRCX-CRAIPNDOSA-N 2 1 345.491 2.337 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001210789337 1325435679 /nfs/dbraw/zinc/43/56/79/1325435679.db2.gz NDEZEYMVESTTKI-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001281862847 1325492257 /nfs/dbraw/zinc/49/22/57/1325492257.db2.gz SCUUMHCTWQNIGV-IRXDYDNUSA-N 2 1 330.476 2.391 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001367058839 1374090684 /nfs/dbraw/zinc/09/06/84/1374090684.db2.gz AUCMYGNKGVREGW-OALUTQOASA-N 2 1 342.487 2.177 20 30 EEEDMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001378165940 1379747698 /nfs/dbraw/zinc/74/76/98/1379747698.db2.gz NXFBXYYUGKZBHV-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001378165940 1379747704 /nfs/dbraw/zinc/74/77/04/1379747704.db2.gz NXFBXYYUGKZBHV-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001380286786 1381152416 /nfs/dbraw/zinc/15/24/16/1381152416.db2.gz PPMIPXSTKOZZDX-CQSZACIVSA-N 2 1 346.313 2.208 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001753039668 1406623063 /nfs/dbraw/zinc/62/30/63/1406623063.db2.gz HSOUOZSSPRCUDT-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001399719253 1395439287 /nfs/dbraw/zinc/43/92/87/1395439287.db2.gz ILLYOGDYSLVZHR-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC001399719253 1395439290 /nfs/dbraw/zinc/43/92/90/1395439290.db2.gz ILLYOGDYSLVZHR-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC001399719253 1395439292 /nfs/dbraw/zinc/43/92/92/1395439292.db2.gz ILLYOGDYSLVZHR-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001400720947 1396555651 /nfs/dbraw/zinc/55/56/51/1396555651.db2.gz JKEOPJFBUPIGCV-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001400720947 1396555659 /nfs/dbraw/zinc/55/56/59/1396555659.db2.gz JKEOPJFBUPIGCV-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001400720947 1396555667 /nfs/dbraw/zinc/55/56/67/1396555667.db2.gz JKEOPJFBUPIGCV-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2C)CC1 ZINC001755328891 1407327694 /nfs/dbraw/zinc/32/76/94/1407327694.db2.gz UTGYHFJLPDJUKZ-GOSISDBHSA-N 2 1 341.499 2.277 20 30 EEEDMP C#CCOc1cccc(Cl)c1C[NH+]1CCC(OC2C[NH2+]C2)CC1 ZINC001574736239 1403525395 /nfs/dbraw/zinc/52/53/95/1403525395.db2.gz XGXOBXJROXGWFT-UHFFFAOYSA-N 2 1 334.847 2.305 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cccc(C)c1 ZINC001755501707 1407546882 /nfs/dbraw/zinc/54/68/82/1407546882.db2.gz NQWMUYDXFZLNJW-ICSRJNTNSA-N 2 1 341.499 2.467 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cccc(C)c1 ZINC001755501707 1407546888 /nfs/dbraw/zinc/54/68/88/1407546888.db2.gz NQWMUYDXFZLNJW-ICSRJNTNSA-N 2 1 341.499 2.467 20 30 EEEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001755566868 1407638063 /nfs/dbraw/zinc/63/80/63/1407638063.db2.gz CEOGFYIHSHKNEB-QFBILLFUSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]21 ZINC001755707234 1407759826 /nfs/dbraw/zinc/75/98/26/1407759826.db2.gz FQZFANONQWMVHC-IPMKNSEASA-N 2 1 342.487 2.212 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470115 756996689 /nfs/dbraw/zinc/99/66/89/756996689.db2.gz COVIVKIAJGDMTJ-RDJZCZTQSA-N 2 1 336.867 2.162 20 30 EEEDMP C#CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001167242497 757560201 /nfs/dbraw/zinc/56/02/01/757560201.db2.gz ADRAMFDOSDVGQX-UHFFFAOYSA-N 2 1 341.499 2.060 20 30 EEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104290979 758128697 /nfs/dbraw/zinc/12/86/97/758128697.db2.gz HGXVPEMWFQUDNN-BRWVUGGUSA-N 2 1 330.476 2.411 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C1 ZINC001104305954 758303258 /nfs/dbraw/zinc/30/32/58/758303258.db2.gz BXISOPXFCPRIAY-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C1 ZINC001104305954 758303268 /nfs/dbraw/zinc/30/32/68/758303268.db2.gz BXISOPXFCPRIAY-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087304132 761544941 /nfs/dbraw/zinc/54/49/41/761544941.db2.gz XUPLIKWEXFCZSN-BHIYHBOVSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087304132 761544946 /nfs/dbraw/zinc/54/49/46/761544946.db2.gz XUPLIKWEXFCZSN-BHIYHBOVSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087304135 761545128 /nfs/dbraw/zinc/54/51/28/761545128.db2.gz XUPLIKWEXFCZSN-QRQLOZEOSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087304135 761545133 /nfs/dbraw/zinc/54/51/33/761545133.db2.gz XUPLIKWEXFCZSN-QRQLOZEOSA-N 2 1 345.531 2.347 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C[C@@H](C)O2 ZINC001098603028 764968203 /nfs/dbraw/zinc/96/82/03/764968203.db2.gz JDELEZLLPDOXAH-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067763 768991069 /nfs/dbraw/zinc/99/10/69/768991069.db2.gz TXPTWEAYOUSSHP-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC(C)(C)C1 ZINC001089495645 769883141 /nfs/dbraw/zinc/88/31/41/769883141.db2.gz YBJPVVOIRRYTKI-BZUAXINKSA-N 2 1 330.476 2.316 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+]1CCCCC1)C[C@@H](C)O2 ZINC001131696863 783095528 /nfs/dbraw/zinc/09/55/28/783095528.db2.gz BZSWMGQYXLWTHG-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC000980083249 773838916 /nfs/dbraw/zinc/83/89/16/773838916.db2.gz HNVDTZDQSBERPU-ARFHVFGLSA-N 2 1 346.475 2.143 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC000980083249 773838918 /nfs/dbraw/zinc/83/89/18/773838918.db2.gz HNVDTZDQSBERPU-ARFHVFGLSA-N 2 1 346.475 2.143 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001031741394 774181571 /nfs/dbraw/zinc/18/15/71/774181571.db2.gz YNRFCIROMCNZLV-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001031741394 774181576 /nfs/dbraw/zinc/18/15/76/774181576.db2.gz YNRFCIROMCNZLV-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@@H]12 ZINC000991786779 790495161 /nfs/dbraw/zinc/49/51/61/790495161.db2.gz SPPMACXBLORUCZ-UYAOXDASSA-N 2 1 349.438 2.017 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001089839274 777494547 /nfs/dbraw/zinc/49/45/47/777494547.db2.gz RWLGGQXHPJESDU-KNTRFNDTSA-N 2 1 348.450 2.140 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CC[C@H](C)F)C3)CC1 ZINC000982162290 779180993 /nfs/dbraw/zinc/18/09/93/779180993.db2.gz MIVWEYWOMBPFSC-KRWDZBQOSA-N 2 1 349.494 2.004 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982279742 779507812 /nfs/dbraw/zinc/50/78/12/779507812.db2.gz GGSFXIYVDKGTTQ-RLLQIKCJSA-N 2 1 331.504 2.075 20 30 EEEDMP C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261695071 780422562 /nfs/dbraw/zinc/42/25/62/780422562.db2.gz FNUXDRJGIPAOII-MQIPJXDCSA-N 2 1 333.480 2.043 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001088857974 790814351 /nfs/dbraw/zinc/81/43/51/790814351.db2.gz LDMVXQSAPGMIQS-FCEWJHQRSA-N 2 1 340.471 2.122 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088857974 790814366 /nfs/dbraw/zinc/81/43/66/790814366.db2.gz LDMVXQSAPGMIQS-FCEWJHQRSA-N 2 1 340.471 2.122 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088857974 790814379 /nfs/dbraw/zinc/81/43/79/790814379.db2.gz LDMVXQSAPGMIQS-FCEWJHQRSA-N 2 1 340.471 2.122 20 30 EEEDMP CCCCCCC[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135326059 783587008 /nfs/dbraw/zinc/58/70/08/783587008.db2.gz OUBSPSQZMAEEQG-UHFFFAOYSA-N 2 1 327.513 2.165 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035254985 784260485 /nfs/dbraw/zinc/26/04/85/784260485.db2.gz WWNSQXRMGLZRPU-UHFFFAOYSA-N 2 1 336.867 2.259 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035254985 784260488 /nfs/dbraw/zinc/26/04/88/784260488.db2.gz WWNSQXRMGLZRPU-UHFFFAOYSA-N 2 1 336.867 2.259 20 30 EEEDMP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135784534 784424860 /nfs/dbraw/zinc/42/48/60/784424860.db2.gz INTJYMBNEOGGLF-HUUCEWRRSA-N 2 1 327.432 2.330 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035538350 784641777 /nfs/dbraw/zinc/64/17/77/784641777.db2.gz ZQBRILDRHIABDN-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035538350 784641783 /nfs/dbraw/zinc/64/17/83/784641783.db2.gz ZQBRILDRHIABDN-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035538350 784641787 /nfs/dbraw/zinc/64/17/87/784641787.db2.gz ZQBRILDRHIABDN-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC(C)C)C2)CC1 ZINC001035724681 785023445 /nfs/dbraw/zinc/02/34/45/785023445.db2.gz OGYQGTGSDRKXGC-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC(C)C)C2)CC1 ZINC001035724681 785023449 /nfs/dbraw/zinc/02/34/49/785023449.db2.gz OGYQGTGSDRKXGC-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)CC2 ZINC001035794518 785144710 /nfs/dbraw/zinc/14/47/10/785144710.db2.gz FALCWXLWKWOIIV-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165008 787520842 /nfs/dbraw/zinc/52/08/42/787520842.db2.gz AFWHCWJNEUUHTC-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c(OC)c1 ZINC000923348364 789411353 /nfs/dbraw/zinc/41/13/53/789411353.db2.gz FDSYRCWLFUQICX-QZTJIDSGSA-N 2 1 348.487 2.224 20 30 EEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000997299775 789593695 /nfs/dbraw/zinc/59/36/95/789593695.db2.gz DKMKQKXIGRNXFU-OAHLLOKOSA-N 2 1 346.475 2.287 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000923559904 789770232 /nfs/dbraw/zinc/77/02/32/789770232.db2.gz LSRXJQRJPBCMAZ-WOJBJXKFSA-N 2 1 339.483 2.080 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000923559904 789770237 /nfs/dbraw/zinc/77/02/37/789770237.db2.gz LSRXJQRJPBCMAZ-WOJBJXKFSA-N 2 1 339.483 2.080 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccns1 ZINC001171308333 791854454 /nfs/dbraw/zinc/85/44/54/791854454.db2.gz QVSNDDSIKSSSHT-RDJZCZTQSA-N 2 1 348.516 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccns1 ZINC001171308333 791854458 /nfs/dbraw/zinc/85/44/58/791854458.db2.gz QVSNDDSIKSSSHT-RDJZCZTQSA-N 2 1 348.516 2.005 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147657888 791903342 /nfs/dbraw/zinc/90/33/42/791903342.db2.gz GPFUOLCGWWVCEN-INIZCTEOSA-N 2 1 325.472 2.167 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925305 792998308 /nfs/dbraw/zinc/99/83/08/792998308.db2.gz RZDBZLSLCOUGHS-CEXWTWQISA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992311769 793628892 /nfs/dbraw/zinc/62/88/92/793628892.db2.gz BRGNOUGMRVGKRY-ICSRJNTNSA-N 2 1 325.456 2.108 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992400443 793965186 /nfs/dbraw/zinc/96/51/86/793965186.db2.gz DQLCHFIMNDAPSW-AZUAARDMSA-N 2 1 331.504 2.408 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036747003 794755221 /nfs/dbraw/zinc/75/52/21/794755221.db2.gz CAIILTZTVHEGCS-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441360 796015270 /nfs/dbraw/zinc/01/52/70/796015270.db2.gz KABOCBVORRSYBH-IIDMSEBBSA-N 2 1 325.472 2.212 20 30 EEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001080441360 796015278 /nfs/dbraw/zinc/01/52/78/796015278.db2.gz KABOCBVORRSYBH-IIDMSEBBSA-N 2 1 325.472 2.212 20 30 EEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001080441360 796015286 /nfs/dbraw/zinc/01/52/86/796015286.db2.gz KABOCBVORRSYBH-IIDMSEBBSA-N 2 1 325.472 2.212 20 30 EEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3cc(C#N)ccn3)CC1)C2 ZINC001172125381 796877551 /nfs/dbraw/zinc/87/75/51/796877551.db2.gz PZPMMNNEQWTSPA-BCDXTJNWSA-N 2 1 325.460 2.091 20 30 EEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3cc(C#N)ccn3)CC1)C2 ZINC001172125381 796877555 /nfs/dbraw/zinc/87/75/55/796877555.db2.gz PZPMMNNEQWTSPA-BCDXTJNWSA-N 2 1 325.460 2.091 20 30 EEEDMP C[C@@H](CCCC#N)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001172496582 797007342 /nfs/dbraw/zinc/00/73/42/797007342.db2.gz OGRPGZNRMIUSKE-HOTGVXAUSA-N 2 1 331.464 2.220 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](OC)C1 ZINC001082392736 797493072 /nfs/dbraw/zinc/49/30/72/797493072.db2.gz XNHLIPBJWPDAIH-SJLPKXTDSA-N 2 1 349.475 2.127 20 30 EEEDMP C=CCOCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001099300023 797655401 /nfs/dbraw/zinc/65/54/01/797655401.db2.gz YTIIFVCSSWMEAH-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994490628 798083658 /nfs/dbraw/zinc/08/36/58/798083658.db2.gz WCZVMRWUMGUWSK-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346581 798160596 /nfs/dbraw/zinc/16/05/96/798160596.db2.gz QWYOJRZONMSLJR-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346581 798160601 /nfs/dbraw/zinc/16/06/01/798160601.db2.gz QWYOJRZONMSLJR-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346581 798160606 /nfs/dbraw/zinc/16/06/06/798160606.db2.gz QWYOJRZONMSLJR-ZIFCJYIRSA-N 2 1 331.504 2.360 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382776 798287304 /nfs/dbraw/zinc/28/73/04/798287304.db2.gz UXUMLSLOZONBQF-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089382776 798287309 /nfs/dbraw/zinc/28/73/09/798287309.db2.gz UXUMLSLOZONBQF-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089382776 798287313 /nfs/dbraw/zinc/28/73/13/798287313.db2.gz UXUMLSLOZONBQF-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176566146 798500025 /nfs/dbraw/zinc/50/00/25/798500025.db2.gz YTTPIMAMKSWLMZ-QFBILLFUSA-N 2 1 342.487 2.275 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176566145 798500067 /nfs/dbraw/zinc/50/00/67/798500067.db2.gz YTTPIMAMKSWLMZ-LPHOPBHVSA-N 2 1 342.487 2.275 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001108051323 798651096 /nfs/dbraw/zinc/65/10/96/798651096.db2.gz ISZWDWRRXVZGTF-LJQANCHMSA-N 2 1 342.443 2.121 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001176986111 798674336 /nfs/dbraw/zinc/67/43/36/798674336.db2.gz FAYIWTDCNPTNRM-SFHVURJKSA-N 2 1 346.450 2.168 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001177416235 798934221 /nfs/dbraw/zinc/93/42/21/798934221.db2.gz WZUMXGYMFPIFTJ-HKUYNNGSSA-N 2 1 333.520 2.206 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181728253 800882335 /nfs/dbraw/zinc/88/23/35/800882335.db2.gz JBQICPUWZRGHTA-QWFCFKBJSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946590720 801612460 /nfs/dbraw/zinc/61/24/60/801612460.db2.gz HVRHJOFDKCGHLT-ZCNNSNEGSA-N 2 1 345.531 2.465 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657875 802679602 /nfs/dbraw/zinc/67/96/02/802679602.db2.gz WQVXTLKFQLTMDE-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657875 802679605 /nfs/dbraw/zinc/67/96/05/802679605.db2.gz WQVXTLKFQLTMDE-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657875 802679607 /nfs/dbraw/zinc/67/96/07/802679607.db2.gz WQVXTLKFQLTMDE-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](O)C1 ZINC001100071557 802822368 /nfs/dbraw/zinc/82/23/68/802822368.db2.gz GAYUPFBVOKRZKY-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001108421696 803533405 /nfs/dbraw/zinc/53/34/05/803533405.db2.gz SQXSPMHTCWCAIR-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421696 803533409 /nfs/dbraw/zinc/53/34/09/803533409.db2.gz SQXSPMHTCWCAIR-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421696 803533413 /nfs/dbraw/zinc/53/34/13/803533413.db2.gz SQXSPMHTCWCAIR-IEBWSBKVSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108780510 804502446 /nfs/dbraw/zinc/50/24/46/804502446.db2.gz DSIQZRGASRCDEX-OTWHNJEPSA-N 2 1 333.520 2.491 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccccc1C#N ZINC001441890867 1096027742 /nfs/dbraw/zinc/02/77/42/1096027742.db2.gz IHICNYVDVZUBDR-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccccc1C#N ZINC001441890867 1096027753 /nfs/dbraw/zinc/02/77/53/1096027753.db2.gz IHICNYVDVZUBDR-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001442198553 1096478174 /nfs/dbraw/zinc/47/81/74/1096478174.db2.gz HAPHTQIIXGLJSC-GJZGRUSLSA-N 2 1 348.516 2.479 20 30 EEEDMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C#N)cc1 ZINC001442942573 1097354766 /nfs/dbraw/zinc/35/47/66/1097354766.db2.gz SYOXICAKGWWIBS-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001444642398 1099472478 /nfs/dbraw/zinc/47/24/78/1099472478.db2.gz XKOYCDRFVIZMHU-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001496371137 1100964674 /nfs/dbraw/zinc/96/46/74/1100964674.db2.gz YINGSIWYEFOFRL-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501081021 1113192058 /nfs/dbraw/zinc/19/20/58/1113192058.db2.gz XEUSWRGJABMALU-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000491815643 533147750 /nfs/dbraw/zinc/14/77/50/533147750.db2.gz VEHLWRXFZSUKNL-NRFANRHFSA-N 2 1 339.483 2.112 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000074877494 462649138 /nfs/dbraw/zinc/64/91/38/462649138.db2.gz XERSNHUTYVWFRZ-QGZVFWFLSA-N 2 1 334.508 2.010 20 30 EEEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000047977640 462844367 /nfs/dbraw/zinc/84/43/67/462844367.db2.gz DCMKQJYDUHNAJG-UHFFFAOYSA-N 2 1 334.508 2.383 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000491296293 468343788 /nfs/dbraw/zinc/34/37/88/468343788.db2.gz KXHXZUGBQXGQRQ-UHFFFAOYSA-N 2 1 348.535 2.239 20 30 EEEDMP N#CC1(c2ccccc2)CC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000126853104 463666756 /nfs/dbraw/zinc/66/67/56/463666756.db2.gz RERPLEXATJCUKO-GPJFCIFZSA-N 2 1 327.472 2.437 20 30 EEEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1C#N ZINC000268982945 463835595 /nfs/dbraw/zinc/83/55/95/463835595.db2.gz RPCCTTBLRQRBKP-MSOLQXFVSA-N 2 1 329.444 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000247588454 464696924 /nfs/dbraw/zinc/69/69/24/464696924.db2.gz JGVTVYHAEQTTMM-IRXDYDNUSA-N 2 1 336.524 2.447 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000295122472 464714208 /nfs/dbraw/zinc/71/42/08/464714208.db2.gz YUNQXCRVXLJBMN-OAHLLOKOSA-N 2 1 337.489 2.054 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000295122472 464714210 /nfs/dbraw/zinc/71/42/10/464714210.db2.gz YUNQXCRVXLJBMN-OAHLLOKOSA-N 2 1 337.489 2.054 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1C ZINC000329687590 465406060 /nfs/dbraw/zinc/40/60/60/465406060.db2.gz BJDMPCLFLPFXPA-WBVHZDCISA-N 2 1 345.491 2.032 20 30 EEEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000330276929 465595245 /nfs/dbraw/zinc/59/52/45/465595245.db2.gz NPIFNSLDZBNKTN-CVEARBPZSA-N 2 1 331.464 2.062 20 30 EEEDMP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000424138061 466986784 /nfs/dbraw/zinc/98/67/84/466986784.db2.gz SZXAZIHDXMQNBU-ZWKOTPCHSA-N 2 1 328.460 2.131 20 30 EEEDMP C=CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000420305935 467346766 /nfs/dbraw/zinc/34/67/66/467346766.db2.gz QDXCMEIGJUJTAB-HOTGVXAUSA-N 2 1 326.448 2.211 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000383206418 467380782 /nfs/dbraw/zinc/38/07/82/467380782.db2.gz WRNYPEWONFGFFK-ALOPSCKCSA-N 2 1 335.492 2.462 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000383206418 467380785 /nfs/dbraw/zinc/38/07/85/467380785.db2.gz WRNYPEWONFGFFK-ALOPSCKCSA-N 2 1 335.492 2.462 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](CC=C)CC1 ZINC000566107348 468144838 /nfs/dbraw/zinc/14/48/38/468144838.db2.gz JOFLJYRBSUFOPH-LJQANCHMSA-N 2 1 330.472 2.395 20 30 EEEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511679 468990927 /nfs/dbraw/zinc/99/09/27/468990927.db2.gz GCIFKRKLCWIIPJ-RBUKOAKNSA-N 2 1 345.487 2.156 20 30 EEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511679 468990929 /nfs/dbraw/zinc/99/09/29/468990929.db2.gz GCIFKRKLCWIIPJ-RBUKOAKNSA-N 2 1 345.487 2.156 20 30 EEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511679 468990932 /nfs/dbraw/zinc/99/09/32/468990932.db2.gz GCIFKRKLCWIIPJ-RBUKOAKNSA-N 2 1 345.487 2.156 20 30 EEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511679 468990935 /nfs/dbraw/zinc/99/09/35/468990935.db2.gz GCIFKRKLCWIIPJ-RBUKOAKNSA-N 2 1 345.487 2.156 20 30 EEEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccccc1C#N ZINC000599299752 469198973 /nfs/dbraw/zinc/19/89/73/469198973.db2.gz JUDPYUUPELVELS-MSOLQXFVSA-N 2 1 331.460 2.104 20 30 EEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccccc1C#N ZINC000599299752 469198979 /nfs/dbraw/zinc/19/89/79/469198979.db2.gz JUDPYUUPELVELS-MSOLQXFVSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccccc1C#N ZINC000599299752 469198985 /nfs/dbraw/zinc/19/89/85/469198985.db2.gz JUDPYUUPELVELS-MSOLQXFVSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccccc1C#N ZINC000599299752 469198987 /nfs/dbraw/zinc/19/89/87/469198987.db2.gz JUDPYUUPELVELS-MSOLQXFVSA-N 2 1 331.460 2.104 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611244072 469206075 /nfs/dbraw/zinc/20/60/75/469206075.db2.gz JNZDWQLBIZRWDK-SFHVURJKSA-N 2 1 342.443 2.019 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611244072 469206083 /nfs/dbraw/zinc/20/60/83/469206083.db2.gz JNZDWQLBIZRWDK-SFHVURJKSA-N 2 1 342.443 2.019 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H]1C ZINC000610137455 469983282 /nfs/dbraw/zinc/98/32/82/469983282.db2.gz KWASMKCIXMMYFA-YTQUADARSA-N 2 1 345.487 2.297 20 30 EEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H]1C ZINC000610137455 469983285 /nfs/dbraw/zinc/98/32/85/469983285.db2.gz KWASMKCIXMMYFA-YTQUADARSA-N 2 1 345.487 2.297 20 30 EEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H]1C ZINC000610137455 469983289 /nfs/dbraw/zinc/98/32/89/469983289.db2.gz KWASMKCIXMMYFA-YTQUADARSA-N 2 1 345.487 2.297 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000764585513 577739452 /nfs/dbraw/zinc/73/94/52/577739452.db2.gz IRDJLUYIMLGIFQ-LJQANCHMSA-N 2 1 329.488 2.475 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000750848213 577743663 /nfs/dbraw/zinc/74/36/63/577743663.db2.gz PUEJMBKBUIGRLM-RLLQIKCJSA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000750848213 577743664 /nfs/dbraw/zinc/74/36/64/577743664.db2.gz PUEJMBKBUIGRLM-RLLQIKCJSA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000750848213 577743665 /nfs/dbraw/zinc/74/36/65/577743665.db2.gz PUEJMBKBUIGRLM-RLLQIKCJSA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000750848213 577743666 /nfs/dbraw/zinc/74/36/66/577743666.db2.gz PUEJMBKBUIGRLM-RLLQIKCJSA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCCF)CC[C@@H]32)CC1 ZINC001021739129 676397053 /nfs/dbraw/zinc/39/70/53/676397053.db2.gz GRNSPINITHEWMH-MOPGFXCFSA-N 2 1 349.494 2.004 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001022713821 678307466 /nfs/dbraw/zinc/30/74/66/678307466.db2.gz MWAGFVVHBQOGQX-ZENOOKHLSA-N 2 1 331.863 2.188 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC000972332228 678556020 /nfs/dbraw/zinc/55/60/20/678556020.db2.gz OPPOQZCCGVDGER-HUUCEWRRSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC000972332228 678556023 /nfs/dbraw/zinc/55/60/23/678556023.db2.gz OPPOQZCCGVDGER-HUUCEWRRSA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000972332228 678556025 /nfs/dbraw/zinc/55/60/25/678556025.db2.gz OPPOQZCCGVDGER-HUUCEWRRSA-N 2 1 346.500 2.137 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371449 679277522 /nfs/dbraw/zinc/27/75/22/679277522.db2.gz ZZHBKFYCXLGAKZ-OALUTQOASA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023371449 679277525 /nfs/dbraw/zinc/27/75/25/679277525.db2.gz ZZHBKFYCXLGAKZ-OALUTQOASA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023371449 679277528 /nfs/dbraw/zinc/27/75/28/679277528.db2.gz ZZHBKFYCXLGAKZ-OALUTQOASA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414664 679297912 /nfs/dbraw/zinc/29/79/12/679297912.db2.gz XXEHUCJZEHZBMI-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414664 679297914 /nfs/dbraw/zinc/29/79/14/679297914.db2.gz XXEHUCJZEHZBMI-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001024618234 681285805 /nfs/dbraw/zinc/28/58/05/681285805.db2.gz RTJISMLWQIPDSQ-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982832370 681351129 /nfs/dbraw/zinc/35/11/29/681351129.db2.gz XOJKHAICKIDZTI-LFGUQSLTSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024813915 681467100 /nfs/dbraw/zinc/46/71/00/681467100.db2.gz JJJCOUBGSXOXFA-SFHVURJKSA-N 2 1 327.472 2.356 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641485 681938056 /nfs/dbraw/zinc/93/80/56/681938056.db2.gz NDVUFBCESKFEBF-QGZVKYPTSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982641485 681938060 /nfs/dbraw/zinc/93/80/60/681938060.db2.gz NDVUFBCESKFEBF-QGZVKYPTSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982641485 681938065 /nfs/dbraw/zinc/93/80/65/681938065.db2.gz NDVUFBCESKFEBF-QGZVKYPTSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725885 682111166 /nfs/dbraw/zinc/11/11/66/682111166.db2.gz PJYNBSRMOUZVPR-JYAXBFRTSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001029004303 682650241 /nfs/dbraw/zinc/65/02/41/682650241.db2.gz VIFWCNOLPFOULJ-IBGZPJMESA-N 2 1 343.515 2.270 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514421 682941085 /nfs/dbraw/zinc/94/10/85/682941085.db2.gz BIOSLGMNGTWVKR-HZPDHXFCSA-N 2 1 331.460 2.195 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520183 682953960 /nfs/dbraw/zinc/95/39/60/682953960.db2.gz BKLFIPMVBROWSI-GDBMZVCRSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978625420 693757539 /nfs/dbraw/zinc/75/75/39/693757539.db2.gz BUUWWSCSQSZURL-OKYOBFRVSA-N 2 1 331.504 2.264 20 30 EEEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978625420 693757543 /nfs/dbraw/zinc/75/75/43/693757543.db2.gz BUUWWSCSQSZURL-OKYOBFRVSA-N 2 1 331.504 2.264 20 30 EEEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978625420 693757545 /nfs/dbraw/zinc/75/75/45/693757545.db2.gz BUUWWSCSQSZURL-OKYOBFRVSA-N 2 1 331.504 2.264 20 30 EEEDMP C[C@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986355140 688505620 /nfs/dbraw/zinc/50/56/20/688505620.db2.gz LJLIESNALCALIZ-KXBFYZLASA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977326272 692490245 /nfs/dbraw/zinc/49/02/45/692490245.db2.gz CNANNAFVNHWXIH-SFHVURJKSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCC3)CC2(C)C)CC1 ZINC000977635919 692847001 /nfs/dbraw/zinc/84/70/01/692847001.db2.gz BFOFSVHYMULJPI-LJQANCHMSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(Cl)CN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990763639 693627139 /nfs/dbraw/zinc/62/71/39/693627139.db2.gz OLGTUXVRCIQABO-KCYZZUKISA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990763639 693627142 /nfs/dbraw/zinc/62/71/42/693627142.db2.gz OLGTUXVRCIQABO-KCYZZUKISA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990763639 693627144 /nfs/dbraw/zinc/62/71/44/693627144.db2.gz OLGTUXVRCIQABO-KCYZZUKISA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990763639 693627146 /nfs/dbraw/zinc/62/71/46/693627146.db2.gz OLGTUXVRCIQABO-KCYZZUKISA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990763639 693627147 /nfs/dbraw/zinc/62/71/47/693627147.db2.gz OLGTUXVRCIQABO-KCYZZUKISA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628563 693641387 /nfs/dbraw/zinc/64/13/87/693641387.db2.gz FEHWGVKNPVGVDQ-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628563 693641390 /nfs/dbraw/zinc/64/13/90/693641390.db2.gz FEHWGVKNPVGVDQ-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943518903 1192329525 /nfs/dbraw/zinc/32/95/25/1192329525.db2.gz UDULCCUNQKWLSU-VQIMIIECSA-N 2 1 327.472 2.212 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001088382293 1186755047 /nfs/dbraw/zinc/75/50/47/1186755047.db2.gz YMPWNRLCYYXVLN-HOCLYGCPSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001105485687 1188102022 /nfs/dbraw/zinc/10/20/22/1188102022.db2.gz VDDBSUOAKNMTHM-UHFFFAOYSA-N 2 1 337.508 2.034 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001483733932 1190846721 /nfs/dbraw/zinc/84/67/21/1190846721.db2.gz KBGSHDPWDAIEJV-SFHVURJKSA-N 2 1 340.471 2.169 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC001033682265 1195062459 /nfs/dbraw/zinc/06/24/59/1195062459.db2.gz AYUNGLZRGWNYOX-SFHVURJKSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC(CC)CC)C2)CC1 ZINC001033683164 1195064081 /nfs/dbraw/zinc/06/40/81/1195064081.db2.gz FYFQIBBINVZCAP-LJQANCHMSA-N 2 1 333.520 2.301 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001034613346 1196436474 /nfs/dbraw/zinc/43/64/74/1196436474.db2.gz ZUZFWYQUKRZVCT-IHRRRGAJSA-N 2 1 344.297 2.006 20 30 EEEDMP C=C(C[NH+]1CCCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001273147327 1197030807 /nfs/dbraw/zinc/03/08/07/1197030807.db2.gz WLOFGBUHVSQNEG-KDURUIRLSA-N 2 1 342.487 2.232 20 30 EEEDMP C=C(C[NH+]1CCCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001273147327 1197030811 /nfs/dbraw/zinc/03/08/11/1197030811.db2.gz WLOFGBUHVSQNEG-KDURUIRLSA-N 2 1 342.487 2.232 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132203050 1199447544 /nfs/dbraw/zinc/44/75/44/1199447544.db2.gz NHUIVLZZWGDTQO-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608325 1199699997 /nfs/dbraw/zinc/69/99/97/1199699997.db2.gz UOUSCSYOTBGWCP-QWHCGFSZSA-N 2 1 346.313 2.252 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001132986751 1200279344 /nfs/dbraw/zinc/27/93/44/1200279344.db2.gz MVLJPLOKZUJZHH-SJORKVTESA-N 2 1 344.503 2.412 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133166047 1200539733 /nfs/dbraw/zinc/53/97/33/1200539733.db2.gz PIPNWWYDQJYGFQ-SJLPKXTDSA-N 2 1 330.476 2.069 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000888777304 1201136886 /nfs/dbraw/zinc/13/68/86/1201136886.db2.gz NVAJRHJLSNTBKQ-BZSNNMDCSA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000888777304 1201136888 /nfs/dbraw/zinc/13/68/88/1201136888.db2.gz NVAJRHJLSNTBKQ-BZSNNMDCSA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000888777304 1201136892 /nfs/dbraw/zinc/13/68/92/1201136892.db2.gz NVAJRHJLSNTBKQ-BZSNNMDCSA-N 2 1 346.519 2.036 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000888777304 1201136894 /nfs/dbraw/zinc/13/68/94/1201136894.db2.gz NVAJRHJLSNTBKQ-BZSNNMDCSA-N 2 1 346.519 2.036 20 30 EEEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000104174595 1204612555 /nfs/dbraw/zinc/61/25/55/1204612555.db2.gz QXQFIPZFRJGDEX-INIZCTEOSA-N 2 1 331.508 2.420 20 30 EEEDMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)nc3)(C1)CCC2 ZINC001275294841 1205300631 /nfs/dbraw/zinc/30/06/31/1205300631.db2.gz AAAJYYGKIXOQAW-RBUKOAKNSA-N 2 1 327.476 2.039 20 30 EEEDMP C=CCn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cn1 ZINC001275381580 1205330854 /nfs/dbraw/zinc/33/08/54/1205330854.db2.gz YBBNANMKOMSBNX-KDURUIRLSA-N 2 1 340.475 2.136 20 30 EEEDMP C=CCn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cn1 ZINC001275381580 1205330857 /nfs/dbraw/zinc/33/08/57/1205330857.db2.gz YBBNANMKOMSBNX-KDURUIRLSA-N 2 1 340.475 2.136 20 30 EEEDMP C=CCn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cn1 ZINC001275381580 1205330860 /nfs/dbraw/zinc/33/08/60/1205330860.db2.gz YBBNANMKOMSBNX-KDURUIRLSA-N 2 1 340.475 2.136 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)cc(C#N)c3)C[C@H]2CC1 ZINC001275414463 1205347959 /nfs/dbraw/zinc/34/79/59/1205347959.db2.gz UWCFTRLRMUDAPR-KDURUIRLSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(C#N)c3)C[C@H]2CC1 ZINC001275414463 1205347961 /nfs/dbraw/zinc/34/79/61/1205347961.db2.gz UWCFTRLRMUDAPR-KDURUIRLSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)cc(C#N)c3)C[C@H]2CC1 ZINC001275414463 1205347962 /nfs/dbraw/zinc/34/79/62/1205347962.db2.gz UWCFTRLRMUDAPR-KDURUIRLSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cc(F)cc(C#N)c3)C[C@H]2CC1 ZINC001275414463 1205347963 /nfs/dbraw/zinc/34/79/63/1205347963.db2.gz UWCFTRLRMUDAPR-KDURUIRLSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cc(F)cc(C#N)c3)C[C@H]2CC1 ZINC001275414463 1205347965 /nfs/dbraw/zinc/34/79/65/1205347965.db2.gz UWCFTRLRMUDAPR-KDURUIRLSA-N 2 1 344.478 2.403 20 30 EEEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437741 1207380953 /nfs/dbraw/zinc/38/09/53/1207380953.db2.gz AMMXFBNQESSJOV-XRGNVEDSSA-N 2 1 346.519 2.189 20 30 EEEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437741 1207380955 /nfs/dbraw/zinc/38/09/55/1207380955.db2.gz AMMXFBNQESSJOV-XRGNVEDSSA-N 2 1 346.519 2.189 20 30 EEEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437741 1207380957 /nfs/dbraw/zinc/38/09/57/1207380957.db2.gz AMMXFBNQESSJOV-XRGNVEDSSA-N 2 1 346.519 2.189 20 30 EEEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437741 1207380959 /nfs/dbraw/zinc/38/09/59/1207380959.db2.gz AMMXFBNQESSJOV-XRGNVEDSSA-N 2 1 346.519 2.189 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111018392 1207473301 /nfs/dbraw/zinc/47/33/01/1207473301.db2.gz SPTUHGGUELUJKH-TVFCKZIOSA-N 2 1 337.508 2.031 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001111230320 1208397218 /nfs/dbraw/zinc/39/72/18/1208397218.db2.gz LHHCZVMTCVAQQY-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001111230320 1208397222 /nfs/dbraw/zinc/39/72/22/1208397222.db2.gz LHHCZVMTCVAQQY-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001111230320 1208397225 /nfs/dbraw/zinc/39/72/25/1208397225.db2.gz LHHCZVMTCVAQQY-QRVBRYPASA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908777 1208771469 /nfs/dbraw/zinc/77/14/69/1208771469.db2.gz VHCIPYCEFJFAAS-VQIMIIECSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642670 1209269125 /nfs/dbraw/zinc/26/91/25/1209269125.db2.gz NASCAGGMPHEJND-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000949430466 1209683278 /nfs/dbraw/zinc/68/32/78/1209683278.db2.gz URWDAEDTGNFSLL-UHFFFAOYSA-N 2 1 349.519 2.130 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCN(C)c1ccccc1 ZINC000303905502 1213924010 /nfs/dbraw/zinc/92/40/10/1213924010.db2.gz ZLRXPGMGHDNXJI-GOSISDBHSA-N 2 1 331.508 2.292 20 30 EEEDMP C[C@@H](CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)[N@@H+](C)C1CC1 ZINC000303981518 1213936115 /nfs/dbraw/zinc/93/61/15/1213936115.db2.gz PCSXDZJFCQFOSK-AWEZNQCLSA-N 2 1 349.910 2.259 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095903838 1215791184 /nfs/dbraw/zinc/79/11/84/1215791184.db2.gz NPNPGNRRLDAMHI-YDZRNGNQSA-N 2 1 329.488 2.138 20 30 EEEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095903838 1215791187 /nfs/dbraw/zinc/79/11/87/1215791187.db2.gz NPNPGNRRLDAMHI-YDZRNGNQSA-N 2 1 329.488 2.138 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095903838 1215791189 /nfs/dbraw/zinc/79/11/89/1215791189.db2.gz NPNPGNRRLDAMHI-YDZRNGNQSA-N 2 1 329.488 2.138 20 30 EEEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095903838 1215791193 /nfs/dbraw/zinc/79/11/93/1215791193.db2.gz NPNPGNRRLDAMHI-YDZRNGNQSA-N 2 1 329.488 2.138 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1coc(-c2ccccc2)n1 ZINC000304741420 1216102203 /nfs/dbraw/zinc/10/22/03/1216102203.db2.gz CCNIBSJCKJVPBN-INIZCTEOSA-N 2 1 327.432 2.230 20 30 EEEDMP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001015794433 1225676819 /nfs/dbraw/zinc/67/68/19/1225676819.db2.gz GRHMYKOWJMRJRJ-OAHLLOKOSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001015794433 1225676822 /nfs/dbraw/zinc/67/68/22/1225676822.db2.gz GRHMYKOWJMRJRJ-OAHLLOKOSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960487736 1216622063 /nfs/dbraw/zinc/62/20/63/1216622063.db2.gz PFPXGRLXXSDUFK-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960487736 1216622068 /nfs/dbraw/zinc/62/20/68/1216622068.db2.gz PFPXGRLXXSDUFK-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000960487736 1216622072 /nfs/dbraw/zinc/62/20/72/1216622072.db2.gz PFPXGRLXXSDUFK-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000960487736 1216622073 /nfs/dbraw/zinc/62/20/73/1216622073.db2.gz PFPXGRLXXSDUFK-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963314773 1217506571 /nfs/dbraw/zinc/50/65/71/1217506571.db2.gz POYVZOSKXOZORR-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963314773 1217506577 /nfs/dbraw/zinc/50/65/77/1217506577.db2.gz POYVZOSKXOZORR-MJGOQNOKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315204 1217508117 /nfs/dbraw/zinc/50/81/17/1217508117.db2.gz RJMNMFRHTSNYKX-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315204 1217508120 /nfs/dbraw/zinc/50/81/20/1217508120.db2.gz RJMNMFRHTSNYKX-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963315204 1217508125 /nfs/dbraw/zinc/50/81/25/1217508125.db2.gz RJMNMFRHTSNYKX-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963365775 1217561630 /nfs/dbraw/zinc/56/16/30/1217561630.db2.gz HTGFZODFLKNJHS-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037936425 1220537184 /nfs/dbraw/zinc/53/71/84/1220537184.db2.gz SHYLFPVLAMAXTP-IAGOWNOFSA-N 2 1 330.476 2.247 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680644 1221487180 /nfs/dbraw/zinc/48/71/80/1221487180.db2.gz CEJBLVXSVMGUPZ-QFBILLFUSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000968887282 1221646299 /nfs/dbraw/zinc/64/62/99/1221646299.db2.gz AEAFFBYVQLVOGH-RBUKOAKNSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968887282 1221646303 /nfs/dbraw/zinc/64/63/03/1221646303.db2.gz AEAFFBYVQLVOGH-RBUKOAKNSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968887282 1221646304 /nfs/dbraw/zinc/64/63/04/1221646304.db2.gz AEAFFBYVQLVOGH-RBUKOAKNSA-N 2 1 333.520 2.348 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000968967499 1221706105 /nfs/dbraw/zinc/70/61/05/1221706105.db2.gz RSLHSVSWZDHWDL-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002372 1221730496 /nfs/dbraw/zinc/73/04/96/1221730496.db2.gz ROFBOZGSRHUNCJ-MSOLQXFVSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002372 1221730500 /nfs/dbraw/zinc/73/05/00/1221730500.db2.gz ROFBOZGSRHUNCJ-MSOLQXFVSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969108622 1221815330 /nfs/dbraw/zinc/81/53/30/1221815330.db2.gz HIIFOCADHHCFTP-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001016336662 1226360099 /nfs/dbraw/zinc/36/00/99/1226360099.db2.gz MTMCMXLGGORDMP-LJQANCHMSA-N 2 1 329.488 2.023 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001020214472 1229558935 /nfs/dbraw/zinc/55/89/35/1229558935.db2.gz UQXWAZWIPIQTPF-GUDVDZBRSA-N 2 1 340.471 2.169 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C)c2)CC1 ZINC001039042172 1230258291 /nfs/dbraw/zinc/25/82/91/1230258291.db2.gz MUOVSIVRCVJICO-HXUWFJFHSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC2CCCCCC2)CC1 ZINC001039042272 1230258973 /nfs/dbraw/zinc/25/89/73/1230258973.db2.gz OULPKWIFABNRPY-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CC3(CCC3)C2)CC1 ZINC001039042694 1230259100 /nfs/dbraw/zinc/25/91/00/1230259100.db2.gz WEMIUCBFGCADEB-IBGZPJMESA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CC[N@H+](CCC)C3)CC2)CC1 ZINC001039181937 1230408741 /nfs/dbraw/zinc/40/87/41/1230408741.db2.gz FJSBJNMDIFFZFG-HXUWFJFHSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001040354720 1231184411 /nfs/dbraw/zinc/18/44/11/1231184411.db2.gz SIZGVHWNZKNSEV-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001040354720 1231184413 /nfs/dbraw/zinc/18/44/13/1231184413.db2.gz SIZGVHWNZKNSEV-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)CC1 ZINC001040543310 1231284432 /nfs/dbraw/zinc/28/44/32/1231284432.db2.gz OENFPPWJAZSJNP-NRFANRHFSA-N 2 1 343.515 2.056 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)CC1 ZINC001040746241 1231355756 /nfs/dbraw/zinc/35/57/56/1231355756.db2.gz XOTUJIDMLFLBPH-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001041367826 1231521834 /nfs/dbraw/zinc/52/18/34/1231521834.db2.gz HOZZJOBCTYHOKC-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001041367826 1231521835 /nfs/dbraw/zinc/52/18/35/1231521835.db2.gz HOZZJOBCTYHOKC-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001041367826 1231521838 /nfs/dbraw/zinc/52/18/38/1231521838.db2.gz HOZZJOBCTYHOKC-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001041367826 1231521839 /nfs/dbraw/zinc/52/18/39/1231521839.db2.gz HOZZJOBCTYHOKC-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041842142 1231726567 /nfs/dbraw/zinc/72/65/67/1231726567.db2.gz BTKZAJYUEYKXCO-OAQYLSRUSA-N 2 1 339.483 2.310 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845952 1231729094 /nfs/dbraw/zinc/72/90/94/1231729094.db2.gz TXDDSUBHNXXJSA-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001042122449 1231903384 /nfs/dbraw/zinc/90/33/84/1231903384.db2.gz NUSOKBXBYIDZJA-CRAIPNDOSA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001042122449 1231903387 /nfs/dbraw/zinc/90/33/87/1231903387.db2.gz NUSOKBXBYIDZJA-CRAIPNDOSA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001042157581 1231925609 /nfs/dbraw/zinc/92/56/09/1231925609.db2.gz SERSPXWDXCMTSG-LPHOPBHVSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001042157581 1231925610 /nfs/dbraw/zinc/92/56/10/1231925610.db2.gz SERSPXWDXCMTSG-LPHOPBHVSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042217574 1231961121 /nfs/dbraw/zinc/96/11/21/1231961121.db2.gz YXDYEIFLBBROMQ-GOEBONIOSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042217574 1231961126 /nfs/dbraw/zinc/96/11/26/1231961126.db2.gz YXDYEIFLBBROMQ-GOEBONIOSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042369661 1232051203 /nfs/dbraw/zinc/05/12/03/1232051203.db2.gz ZSBQUERLZZMATF-PXNSSMCTSA-N 2 1 339.483 2.308 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046620154 1235003937 /nfs/dbraw/zinc/00/39/37/1235003937.db2.gz JUVZCJXVOKEMEM-QFBILLFUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046620154 1235003940 /nfs/dbraw/zinc/00/39/40/1235003940.db2.gz JUVZCJXVOKEMEM-QFBILLFUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046963982 1235364586 /nfs/dbraw/zinc/36/45/86/1235364586.db2.gz KZKDOVXTZGYSCR-CVEARBPZSA-N 2 1 343.462 2.368 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046963982 1235364591 /nfs/dbraw/zinc/36/45/91/1235364591.db2.gz KZKDOVXTZGYSCR-CVEARBPZSA-N 2 1 343.462 2.368 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046963982 1235364595 /nfs/dbraw/zinc/36/45/95/1235364595.db2.gz KZKDOVXTZGYSCR-CVEARBPZSA-N 2 1 343.462 2.368 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CC)CC2)C1 ZINC001047241352 1235728263 /nfs/dbraw/zinc/72/82/63/1235728263.db2.gz ATTCDTMGKNNPAB-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CC)CC2)C1 ZINC001047241352 1235728270 /nfs/dbraw/zinc/72/82/70/1235728270.db2.gz ATTCDTMGKNNPAB-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001048533055 1237895292 /nfs/dbraw/zinc/89/52/92/1237895292.db2.gz OMRJMDRFHJTALQ-RDGPPVDQSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001048533055 1237895302 /nfs/dbraw/zinc/89/53/02/1237895302.db2.gz OMRJMDRFHJTALQ-RDGPPVDQSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001048533055 1237895308 /nfs/dbraw/zinc/89/53/08/1237895308.db2.gz OMRJMDRFHJTALQ-RDGPPVDQSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001048533055 1237895314 /nfs/dbraw/zinc/89/53/14/1237895314.db2.gz OMRJMDRFHJTALQ-RDGPPVDQSA-N 2 1 331.504 2.099 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCn3ccnc3C1)C2 ZINC001048541752 1237920231 /nfs/dbraw/zinc/92/02/31/1237920231.db2.gz JOBJRTDTDPIGDV-FJIDUMEYSA-N 2 1 342.487 2.381 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001048558576 1237959852 /nfs/dbraw/zinc/95/98/52/1237959852.db2.gz YGEBRAMBYNXPNR-FCGDIQPGSA-N 2 1 349.519 2.031 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001048558576 1237959858 /nfs/dbraw/zinc/95/98/58/1237959858.db2.gz YGEBRAMBYNXPNR-FCGDIQPGSA-N 2 1 349.519 2.031 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001048558576 1237959866 /nfs/dbraw/zinc/95/98/66/1237959866.db2.gz YGEBRAMBYNXPNR-FCGDIQPGSA-N 2 1 349.519 2.031 20 30 EEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001048558135 1237959946 /nfs/dbraw/zinc/95/99/46/1237959946.db2.gz JERHZGJOILQWMY-ZJPYXAASSA-N 2 1 342.487 2.299 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001048558135 1237959952 /nfs/dbraw/zinc/95/99/52/1237959952.db2.gz JERHZGJOILQWMY-ZJPYXAASSA-N 2 1 342.487 2.299 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]2C1 ZINC001048960847 1239582993 /nfs/dbraw/zinc/58/29/93/1239582993.db2.gz OSLILLHRHGVFJV-KDURUIRLSA-N 2 1 341.499 2.371 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2C1 ZINC001049231466 1240329194 /nfs/dbraw/zinc/32/91/94/1240329194.db2.gz BEUQGDRYJDMQIZ-KDURUIRLSA-N 2 1 327.472 2.328 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049717003 1241976497 /nfs/dbraw/zinc/97/64/97/1241976497.db2.gz BYUGJPWXVXNHHN-SQGPQFPESA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001049717003 1241976500 /nfs/dbraw/zinc/97/65/00/1241976500.db2.gz BYUGJPWXVXNHHN-SQGPQFPESA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001049717003 1241976504 /nfs/dbraw/zinc/97/65/04/1241976504.db2.gz BYUGJPWXVXNHHN-SQGPQFPESA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049753510 1242093626 /nfs/dbraw/zinc/09/36/26/1242093626.db2.gz KKKVMPAWGHLHBH-SJORKVTESA-N 2 1 328.460 2.095 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049753510 1242093641 /nfs/dbraw/zinc/09/36/41/1242093641.db2.gz KKKVMPAWGHLHBH-SJORKVTESA-N 2 1 328.460 2.095 20 30 EEEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001001404954 1242208426 /nfs/dbraw/zinc/20/84/26/1242208426.db2.gz NPSHRZAKVYXQKW-GOSISDBHSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001001477143 1242346548 /nfs/dbraw/zinc/34/65/48/1242346548.db2.gz PATGNPFFXUYJOB-LJQANCHMSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001050121618 1242924131 /nfs/dbraw/zinc/92/41/31/1242924131.db2.gz BOUDKGMNTNOVSX-IPMKNSEASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050121618 1242924137 /nfs/dbraw/zinc/92/41/37/1242924137.db2.gz BOUDKGMNTNOVSX-IPMKNSEASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050121618 1242924143 /nfs/dbraw/zinc/92/41/43/1242924143.db2.gz BOUDKGMNTNOVSX-IPMKNSEASA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001097219364 1243842542 /nfs/dbraw/zinc/84/25/42/1243842542.db2.gz CJQLNIXDQXTAMM-NCOADZHNSA-N 2 1 328.460 2.448 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001097219364 1243842550 /nfs/dbraw/zinc/84/25/50/1243842550.db2.gz CJQLNIXDQXTAMM-NCOADZHNSA-N 2 1 328.460 2.448 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)CC1 ZINC001050593732 1243910920 /nfs/dbraw/zinc/91/09/20/1243910920.db2.gz YHPUMGUUXZNJGS-UHFFFAOYSA-N 2 1 342.487 2.262 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097737722 1244549026 /nfs/dbraw/zinc/54/90/26/1244549026.db2.gz UABMSLSRBHNJSH-RWQQGDIJSA-N 2 1 342.487 2.442 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097737722 1244549036 /nfs/dbraw/zinc/54/90/36/1244549036.db2.gz UABMSLSRBHNJSH-RWQQGDIJSA-N 2 1 342.487 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820673 1245074299 /nfs/dbraw/zinc/07/42/99/1245074299.db2.gz SWEIWBAJWBJLMH-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CCC[N@H+](CC)C3)C2)CC1 ZINC001053054590 1245782607 /nfs/dbraw/zinc/78/26/07/1245782607.db2.gz OAZFIDKEDFIPAN-UXHICEINSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101428924 1245809387 /nfs/dbraw/zinc/80/93/87/1245809387.db2.gz SQWPCOXCGBEPCM-DYXWJJEUSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@]2(C)C1 ZINC001101428924 1245809393 /nfs/dbraw/zinc/80/93/93/1245809393.db2.gz SQWPCOXCGBEPCM-DYXWJJEUSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@]2(C)C1 ZINC001101428924 1245809398 /nfs/dbraw/zinc/80/93/98/1245809398.db2.gz SQWPCOXCGBEPCM-DYXWJJEUSA-N 2 1 339.483 2.093 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001101574752 1245979191 /nfs/dbraw/zinc/97/91/91/1245979191.db2.gz BLYTWSNIGNJTQO-QGZVFWFLSA-N 2 1 333.520 2.206 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CCO2 ZINC001053459699 1246358150 /nfs/dbraw/zinc/35/81/50/1246358150.db2.gz WZARFIRXVHZYNH-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)O2 ZINC001053601145 1246516059 /nfs/dbraw/zinc/51/60/59/1246516059.db2.gz BOJMFPUTWMGJIK-OKZBNKHCSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001054145229 1247517058 /nfs/dbraw/zinc/51/70/58/1247517058.db2.gz NGQAKARLSJCDMS-PZJWPPBQSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145229 1247517065 /nfs/dbraw/zinc/51/70/65/1247517065.db2.gz NGQAKARLSJCDMS-PZJWPPBQSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145229 1247517070 /nfs/dbraw/zinc/51/70/70/1247517070.db2.gz NGQAKARLSJCDMS-PZJWPPBQSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219103 1247750043 /nfs/dbraw/zinc/75/00/43/1247750043.db2.gz GXBHRDNNXJGIHT-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054228742 1247784152 /nfs/dbraw/zinc/78/41/52/1247784152.db2.gz YRQGGTBDESFBQQ-SJLPKXTDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054228742 1247784156 /nfs/dbraw/zinc/78/41/56/1247784156.db2.gz YRQGGTBDESFBQQ-SJLPKXTDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054228742 1247784165 /nfs/dbraw/zinc/78/41/65/1247784165.db2.gz YRQGGTBDESFBQQ-SJLPKXTDSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244999 1247859687 /nfs/dbraw/zinc/85/96/87/1247859687.db2.gz MNBNVPHEBSSGRD-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071677000 1254497217 /nfs/dbraw/zinc/49/72/17/1254497217.db2.gz QOCFDKVTZVJGFM-HOTGVXAUSA-N 2 1 339.443 2.426 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099113922 1257973871 /nfs/dbraw/zinc/97/38/71/1257973871.db2.gz FLWXBSNUWCOZIR-FPOVZHCZSA-N 2 1 343.515 2.102 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001491371496 1259012791 /nfs/dbraw/zinc/01/27/91/1259012791.db2.gz SGPPISMTUOTQKZ-UHFFFAOYSA-N 2 1 342.487 2.417 20 30 EEEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976118 1287225486 /nfs/dbraw/zinc/22/54/86/1287225486.db2.gz NPINFJRTCWZOAE-GOSISDBHSA-N 2 1 348.491 2.145 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC/C=C\CCC)C1 ZINC001190721480 1281032894 /nfs/dbraw/zinc/03/28/94/1281032894.db2.gz CHDLQCORCZPLPO-XSAZBNQGSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC/C=C\CCC)C1 ZINC001190721480 1281032902 /nfs/dbraw/zinc/03/29/02/1281032902.db2.gz CHDLQCORCZPLPO-XSAZBNQGSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC/C=C\CCC)C1 ZINC001190721480 1281032910 /nfs/dbraw/zinc/03/29/10/1281032910.db2.gz CHDLQCORCZPLPO-XSAZBNQGSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC/C=C\CCC)C1 ZINC001190721480 1281032923 /nfs/dbraw/zinc/03/29/23/1281032923.db2.gz CHDLQCORCZPLPO-XSAZBNQGSA-N 2 1 331.504 2.363 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193621884 1282603489 /nfs/dbraw/zinc/60/34/89/1282603489.db2.gz JALHDMPOXVGITN-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193621884 1282603503 /nfs/dbraw/zinc/60/35/03/1282603503.db2.gz JALHDMPOXVGITN-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193621884 1282603516 /nfs/dbraw/zinc/60/35/16/1282603516.db2.gz JALHDMPOXVGITN-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)CCC=C)C2)CC1 ZINC001194245548 1282955553 /nfs/dbraw/zinc/95/55/53/1282955553.db2.gz CBJVBBCJNXLMRN-HKUYNNGSSA-N 2 1 331.504 2.219 20 30 EEEDMP C=CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711415 1283886295 /nfs/dbraw/zinc/88/62/95/1283886295.db2.gz CWGUTUCJOJVMJZ-PZJWPPBQSA-N 2 1 341.499 2.442 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197001293 1284395619 /nfs/dbraw/zinc/39/56/19/1284395619.db2.gz YOPKZOYGWBGWSE-KZNAEPCWSA-N 2 1 339.524 2.015 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197001293 1284395630 /nfs/dbraw/zinc/39/56/30/1284395630.db2.gz YOPKZOYGWBGWSE-KZNAEPCWSA-N 2 1 339.524 2.015 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197001293 1284395636 /nfs/dbraw/zinc/39/56/36/1284395636.db2.gz YOPKZOYGWBGWSE-KZNAEPCWSA-N 2 1 339.524 2.015 20 30 EEEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001071055708 1286737091 /nfs/dbraw/zinc/73/70/91/1286737091.db2.gz SIEKRZMIZDNSAQ-QRVBRYPASA-N 2 1 349.519 2.031 20 30 EEEDMP C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852102536 1291994019 /nfs/dbraw/zinc/99/40/19/1291994019.db2.gz YUSFHQRABTWOPC-YVWKXTFCSA-N 2 1 327.472 2.157 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CN(C)C)on1)C2 ZINC001110748879 1294147635 /nfs/dbraw/zinc/14/76/35/1294147635.db2.gz WXUKTLADCVGNHH-MMNPAVHPSA-N 2 1 346.475 2.426 20 30 EEEDMP C#CCCOC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000859078536 1294311573 /nfs/dbraw/zinc/31/15/73/1294311573.db2.gz BJRXVOHZHDDGAR-MSOLQXFVSA-N 2 1 335.492 2.415 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369181 1295994456 /nfs/dbraw/zinc/99/44/56/1295994456.db2.gz ODIOTXHKJKKNCU-QZTJIDSGSA-N 2 1 339.524 2.114 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410167 1296895633 /nfs/dbraw/zinc/89/56/33/1296895633.db2.gz OJUNUCOMPRPYDU-UWWQBHOKSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712704 1299005667 /nfs/dbraw/zinc/00/56/67/1299005667.db2.gz MMEOZGWNFHISSR-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099556390 1299220087 /nfs/dbraw/zinc/22/00/87/1299220087.db2.gz KCNLELXEBXRAML-NXOAAHMSSA-N 2 1 339.911 2.248 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556390 1299220094 /nfs/dbraw/zinc/22/00/94/1299220094.db2.gz KCNLELXEBXRAML-NXOAAHMSSA-N 2 1 339.911 2.248 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556390 1299220103 /nfs/dbraw/zinc/22/01/03/1299220103.db2.gz KCNLELXEBXRAML-NXOAAHMSSA-N 2 1 339.911 2.248 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223707298 1300236369 /nfs/dbraw/zinc/23/63/69/1300236369.db2.gz SEZSLSPXVQODJT-CEXWTWQISA-N 2 1 333.520 2.299 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCC(=C)C)C[C@H]1C ZINC001103099520 1302222226 /nfs/dbraw/zinc/22/22/26/1302222226.db2.gz PDVGMACGXXDISA-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCC(=C)C)C[C@H]1C ZINC001103099520 1302222239 /nfs/dbraw/zinc/22/22/39/1302222239.db2.gz PDVGMACGXXDISA-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC(=C)C)C[C@H]1C ZINC001103099520 1302222248 /nfs/dbraw/zinc/22/22/48/1302222248.db2.gz PDVGMACGXXDISA-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC(=C)C)C[C@H]1C ZINC001103099520 1302222260 /nfs/dbraw/zinc/22/22/60/1302222260.db2.gz PDVGMACGXXDISA-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001230571430 1303283506 /nfs/dbraw/zinc/28/35/06/1303283506.db2.gz DOMXGRKJULNGSZ-QZTJIDSGSA-N 2 1 337.483 2.003 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230597991 1303304513 /nfs/dbraw/zinc/30/45/13/1303304513.db2.gz BUULNFPRFCLMLI-OALUTQOASA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001103773794 1303317590 /nfs/dbraw/zinc/31/75/90/1303317590.db2.gz RLVIHEIIVYKQAD-RTBURBONSA-N 2 1 333.520 2.350 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166097 1304290557 /nfs/dbraw/zinc/29/05/57/1304290557.db2.gz DGKYWBODPOPKEA-MGPQQGTHSA-N 2 1 333.398 2.026 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000799010546 1305133307 /nfs/dbraw/zinc/13/33/07/1305133307.db2.gz GIYKPNXJHNNKBF-PZJWPPBQSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000799010546 1305133309 /nfs/dbraw/zinc/13/33/09/1305133309.db2.gz GIYKPNXJHNNKBF-PZJWPPBQSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799010546 1305133311 /nfs/dbraw/zinc/13/33/11/1305133311.db2.gz GIYKPNXJHNNKBF-PZJWPPBQSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799010546 1305133313 /nfs/dbraw/zinc/13/33/13/1305133313.db2.gz GIYKPNXJHNNKBF-PZJWPPBQSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573415 1305398180 /nfs/dbraw/zinc/39/81/80/1305398180.db2.gz QVHWRYGOHOZQHG-MRXNPFEDSA-N 2 1 328.460 2.193 20 30 EEEDMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2CC)CCC12C[NH2+]C2 ZINC001237437256 1305932994 /nfs/dbraw/zinc/93/29/94/1305932994.db2.gz UOXCQTWQUVIRMB-SFHVURJKSA-N 2 1 341.455 2.095 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001121238430 1309956107 /nfs/dbraw/zinc/95/61/07/1309956107.db2.gz NRZXTNGZPDTYMR-UHFFFAOYSA-N 2 1 325.884 2.240 20 30 EEEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CCC[NH2+]C3)C[C@@H]2c2ccccc2)C1=O ZINC001246698465 1310384970 /nfs/dbraw/zinc/38/49/70/1310384970.db2.gz FPALZNOWHOIYGA-ZVDOUQERSA-N 2 1 339.483 2.243 20 30 EEEDMP C=CCN1CC[C@@]2(C[N@H+]([C@H]3CCC[NH2+]C3)C[C@@H]2c2ccccc2)C1=O ZINC001246698465 1310384985 /nfs/dbraw/zinc/38/49/85/1310384985.db2.gz FPALZNOWHOIYGA-ZVDOUQERSA-N 2 1 339.483 2.243 20 30 EEEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203103625 1315055938 /nfs/dbraw/zinc/05/59/38/1315055938.db2.gz LWMFCNDXRLUONZ-IRXDYDNUSA-N 2 1 331.504 2.290 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001142590889 1315671093 /nfs/dbraw/zinc/67/10/93/1315671093.db2.gz UQHSKIGOOXBTCD-WGSAOQKQSA-N 2 1 342.487 2.497 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033579 1316941049 /nfs/dbraw/zinc/94/10/49/1316941049.db2.gz DWGCJRMYLOCHFO-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033579 1316941050 /nfs/dbraw/zinc/94/10/50/1316941050.db2.gz DWGCJRMYLOCHFO-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033579 1316941051 /nfs/dbraw/zinc/94/10/51/1316941051.db2.gz DWGCJRMYLOCHFO-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033579 1316941053 /nfs/dbraw/zinc/94/10/53/1316941053.db2.gz DWGCJRMYLOCHFO-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226707 1317511414 /nfs/dbraw/zinc/51/14/14/1317511414.db2.gz NRYNMUBDQCNFBE-RTBURBONSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226707 1317511418 /nfs/dbraw/zinc/51/14/18/1317511418.db2.gz NRYNMUBDQCNFBE-RTBURBONSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226707 1317511424 /nfs/dbraw/zinc/51/14/24/1317511424.db2.gz NRYNMUBDQCNFBE-RTBURBONSA-N 2 1 341.499 2.349 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001157886766 1318917287 /nfs/dbraw/zinc/91/72/87/1318917287.db2.gz MJUSISAYMCISDA-GOSISDBHSA-N 2 1 328.460 2.027 20 30 EEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC001158300708 1319155155 /nfs/dbraw/zinc/15/51/55/1319155155.db2.gz MCDJUNWFUFSJTB-LJQANCHMSA-N 2 1 336.439 2.432 20 30 EEEDMP C#CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC001158300708 1319155164 /nfs/dbraw/zinc/15/51/64/1319155164.db2.gz MCDJUNWFUFSJTB-LJQANCHMSA-N 2 1 336.439 2.432 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001159327212 1319740758 /nfs/dbraw/zinc/74/07/58/1319740758.db2.gz APEJSMQIKAOOBG-GOSISDBHSA-N 2 1 346.450 2.168 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001159869080 1320008843 /nfs/dbraw/zinc/00/88/43/1320008843.db2.gz SFRNNSCRVZPZDE-SJLPKXTDSA-N 2 1 337.508 2.080 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142566 1320082443 /nfs/dbraw/zinc/08/24/43/1320082443.db2.gz OKEHBSOPGPGMII-IBGZPJMESA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001160142566 1320082449 /nfs/dbraw/zinc/08/24/49/1320082449.db2.gz OKEHBSOPGPGMII-IBGZPJMESA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001160142566 1320082453 /nfs/dbraw/zinc/08/24/53/1320082453.db2.gz OKEHBSOPGPGMII-IBGZPJMESA-N 2 1 343.515 2.413 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953626 1320693746 /nfs/dbraw/zinc/69/37/46/1320693746.db2.gz YPNXAEPVHWXRNG-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001162840778 1320971742 /nfs/dbraw/zinc/97/17/42/1320971742.db2.gz AFJOTNRNJINTLB-LJQANCHMSA-N 2 1 329.488 2.318 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001208331698 1324431440 /nfs/dbraw/zinc/43/14/40/1324431440.db2.gz VZDVOCIQKLRAIV-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001209631610 1324994420 /nfs/dbraw/zinc/99/44/20/1324994420.db2.gz FSPBPEGMDHTBFA-QUCCMNQESA-N 2 1 339.483 2.103 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC001335367474 1336367828 /nfs/dbraw/zinc/36/78/28/1336367828.db2.gz MTFIFMOMUOEBMH-MSOLQXFVSA-N 2 1 348.487 2.095 20 30 EEEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](O)C1 ZINC001100038388 1337947933 /nfs/dbraw/zinc/94/79/33/1337947933.db2.gz IWGVXDRPIVIRMY-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038388 1337947938 /nfs/dbraw/zinc/94/79/38/1337947938.db2.gz IWGVXDRPIVIRMY-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038388 1337947942 /nfs/dbraw/zinc/94/79/42/1337947942.db2.gz IWGVXDRPIVIRMY-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001186608833 1368205593 /nfs/dbraw/zinc/20/55/93/1368205593.db2.gz ORYVUUDNKXFGEA-NVXWUHKLSA-N 2 1 339.443 2.426 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001379099525 1380511578 /nfs/dbraw/zinc/51/15/78/1380511578.db2.gz LUZYQOAMEHNVBR-GOSISDBHSA-N 2 1 330.476 2.035 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001382358817 1382085885 /nfs/dbraw/zinc/08/58/85/1382085885.db2.gz URIJCOMIVUPHLG-LPHOPBHVSA-N 2 1 342.487 2.275 20 30 EEEDMP C=CCOCC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001752309584 1406272822 /nfs/dbraw/zinc/27/28/22/1406272822.db2.gz YWAFBGQDZAJNES-UHFFFAOYSA-N 2 1 348.491 2.132 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001753967037 1406782962 /nfs/dbraw/zinc/78/29/62/1406782962.db2.gz MRUCJJSXNVGADN-YSIASYRMSA-N 2 1 341.499 2.253 20 30 EEEDMP C=C(Br)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001400914531 1396719759 /nfs/dbraw/zinc/71/97/59/1396719759.db2.gz PZMVWKWVTZFFMP-CYBMUJFWSA-N 2 1 344.297 2.008 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001402790436 1398200354 /nfs/dbraw/zinc/20/03/54/1398200354.db2.gz MOOSFMDAMOFJNN-MAUKXSAKSA-N 2 1 349.906 2.350 20 30 EEEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001755184706 1407188814 /nfs/dbraw/zinc/18/88/14/1407188814.db2.gz DIGRRTSXYKHYEV-LJQANCHMSA-N 2 1 333.520 2.445 20 30 EEEDMP CCCC[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001755361092 1407358829 /nfs/dbraw/zinc/35/88/29/1407358829.db2.gz LYLBPUNFMNLQBI-VQTJNVASSA-N 2 1 341.499 2.254 20 30 EEEDMP CC[C@H](C(=O)NCC1=CC[N@H+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001701058843 1405662686 /nfs/dbraw/zinc/66/26/86/1405662686.db2.gz KEMFFWVYQYIJHU-LJQANCHMSA-N 2 1 340.471 2.147 20 30 EEEDMP CC[C@H](C(=O)NCC1=CC[N@@H+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001701058843 1405662696 /nfs/dbraw/zinc/66/26/96/1405662696.db2.gz KEMFFWVYQYIJHU-LJQANCHMSA-N 2 1 340.471 2.147 20 30 EEEDMP C[NH+](CC(=O)NCCC[N@H+](C)Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001751990505 1406168025 /nfs/dbraw/zinc/16/80/25/1406168025.db2.gz YKBFKKSFNPOAIZ-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)Cc1ccc(F)c(C#N)c1 ZINC001751990505 1406168033 /nfs/dbraw/zinc/16/80/33/1406168033.db2.gz YKBFKKSFNPOAIZ-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)Cc1ccc(F)c(C#N)c1 ZINC001751990505 1406168037 /nfs/dbraw/zinc/16/80/37/1406168037.db2.gz YKBFKKSFNPOAIZ-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081434 1410520352 /nfs/dbraw/zinc/52/03/52/1410520352.db2.gz SIGUJGJNNMWPRG-ZWKOTPCHSA-N 2 1 339.524 2.016 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001167471687 759733007 /nfs/dbraw/zinc/73/30/07/759733007.db2.gz KPEHCDYSUWCVFL-UHFFFAOYSA-N 2 1 339.443 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454086 760708977 /nfs/dbraw/zinc/70/89/77/760708977.db2.gz KTWKWOTZRZMSLM-PXNSSMCTSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211560557 760775851 /nfs/dbraw/zinc/77/58/51/760775851.db2.gz JAFPSYVFFMDRGC-IPMKNSEASA-N 2 1 327.472 2.241 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087314488 761596634 /nfs/dbraw/zinc/59/66/34/761596634.db2.gz LUWUOKXTFSZXQW-IKGGRYGDSA-N 2 1 331.504 2.264 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001104681711 764734525 /nfs/dbraw/zinc/73/45/25/764734525.db2.gz NJYZYBRZMUBFPZ-MDZRGWNJSA-N 2 1 339.499 2.459 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001104896145 765522665 /nfs/dbraw/zinc/52/26/65/765522665.db2.gz MOJMFGZJEDBQHM-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675400 770093871 /nfs/dbraw/zinc/09/38/71/770093871.db2.gz QEAJZYTWNFSDOA-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)[C@H](C)C2)CC1 ZINC000948069224 773210299 /nfs/dbraw/zinc/21/02/99/773210299.db2.gz DMINGSABINYWAF-VQIMIIECSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089643436 773672799 /nfs/dbraw/zinc/67/27/99/773672799.db2.gz VDVVSXRWIKBIJU-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089643436 773672803 /nfs/dbraw/zinc/67/28/03/773672803.db2.gz VDVVSXRWIKBIJU-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089643436 773672808 /nfs/dbraw/zinc/67/28/08/773672808.db2.gz VDVVSXRWIKBIJU-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980141784 773933852 /nfs/dbraw/zinc/93/38/52/773933852.db2.gz KLJXOKBIBSSIHZ-SZMVWBNQSA-N 2 1 336.439 2.188 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccsc3)C2)CC1 ZINC000980478213 774702959 /nfs/dbraw/zinc/70/29/59/774702959.db2.gz MUHXLDDTRDJNKC-GOSISDBHSA-N 2 1 345.512 2.126 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C ZINC001027940563 774731202 /nfs/dbraw/zinc/73/12/02/774731202.db2.gz OACZFUYEACNFLB-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC1CN(CC2CCC(C)(C)CC2)C1 ZINC001030464280 790475843 /nfs/dbraw/zinc/47/58/43/790475843.db2.gz NOTZTSCVGJFAQF-SFHVURJKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000981365038 777259235 /nfs/dbraw/zinc/25/92/35/777259235.db2.gz GDVUFSQXIFLBCW-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000981365038 777259245 /nfs/dbraw/zinc/25/92/45/777259245.db2.gz GDVUFSQXIFLBCW-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000981365038 777259250 /nfs/dbraw/zinc/25/92/50/777259250.db2.gz GDVUFSQXIFLBCW-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000981365038 777259256 /nfs/dbraw/zinc/25/92/56/777259256.db2.gz GDVUFSQXIFLBCW-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000981365038 777259264 /nfs/dbraw/zinc/25/92/64/777259264.db2.gz GDVUFSQXIFLBCW-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4nccn43)C2)C1 ZINC000981813580 778238602 /nfs/dbraw/zinc/23/86/02/778238602.db2.gz NFWGNRIMLPIEKC-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813580 778238608 /nfs/dbraw/zinc/23/86/08/778238608.db2.gz NFWGNRIMLPIEKC-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813580 778238614 /nfs/dbraw/zinc/23/86/14/778238614.db2.gz NFWGNRIMLPIEKC-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC000982115584 779125579 /nfs/dbraw/zinc/12/55/79/779125579.db2.gz XFLYBQUOYZBOQM-FQEVSTJZSA-N 2 1 339.483 2.021 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947359683 779374409 /nfs/dbraw/zinc/37/44/09/779374409.db2.gz AZRHMFUZAQJHIJ-GDBMZVCRSA-N 2 1 333.501 2.416 20 30 EEEDMP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)C[C@H](C)O2 ZINC001111540065 790718848 /nfs/dbraw/zinc/71/88/48/790718848.db2.gz DAOPLAXBHGVMAB-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001035184333 784020682 /nfs/dbraw/zinc/02/06/82/784020682.db2.gz HVJRTMPJEKKSMQ-GOSISDBHSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135680598 784227898 /nfs/dbraw/zinc/22/78/98/784227898.db2.gz XYMPHZIROLIMMX-CVEARBPZSA-N 2 1 345.915 2.114 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997001411 788417551 /nfs/dbraw/zinc/41/75/51/788417551.db2.gz UIAIJCRQPDNJIB-AWEZNQCLSA-N 2 1 336.867 2.087 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]2C1 ZINC000946854146 788757035 /nfs/dbraw/zinc/75/70/35/788757035.db2.gz RZJWTXLCPFMWFT-BGYRXZFFSA-N 2 1 345.531 2.465 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001006001171 789230500 /nfs/dbraw/zinc/23/05/00/789230500.db2.gz KRJZCAGMPJNSFL-INIZCTEOSA-N 2 1 330.476 2.253 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358932 789435775 /nfs/dbraw/zinc/43/57/75/789435775.db2.gz MXXLHDRIILIUMT-GUDVDZBRSA-N 2 1 343.471 2.010 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000923359572 789449750 /nfs/dbraw/zinc/44/97/50/789449750.db2.gz SBRPHNJDYDMJEV-IPMKNSEASA-N 2 1 343.471 2.010 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001146334614 791179555 /nfs/dbraw/zinc/17/95/55/791179555.db2.gz YGNZCDQQDFEKDF-LSDHHAIUSA-N 2 1 339.443 2.136 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC000997832849 791251455 /nfs/dbraw/zinc/25/14/55/791251455.db2.gz XFPTWFYNNVAVPA-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC000997832849 791251461 /nfs/dbraw/zinc/25/14/61/791251461.db2.gz XFPTWFYNNVAVPA-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998028735 791854139 /nfs/dbraw/zinc/85/41/39/791854139.db2.gz AGMXNJKDGIHYKD-DLBZAZTESA-N 2 1 328.460 2.097 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000998028735 791854143 /nfs/dbraw/zinc/85/41/43/791854143.db2.gz AGMXNJKDGIHYKD-DLBZAZTESA-N 2 1 328.460 2.097 20 30 EEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992191818 793155455 /nfs/dbraw/zinc/15/54/55/793155455.db2.gz SBRFWHKSVSFNML-ATZDWAIDSA-N 2 1 337.483 2.498 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992191818 793155457 /nfs/dbraw/zinc/15/54/57/793155457.db2.gz SBRFWHKSVSFNML-ATZDWAIDSA-N 2 1 337.483 2.498 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992191818 793155462 /nfs/dbraw/zinc/15/54/62/793155462.db2.gz SBRFWHKSVSFNML-ATZDWAIDSA-N 2 1 337.483 2.498 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303156 793779400 /nfs/dbraw/zinc/77/94/00/793779400.db2.gz VUYBJYDUQGPSIR-DYXWJJEUSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4ccnc4)cn3)CCC[C@@H]12 ZINC000992393134 793936934 /nfs/dbraw/zinc/93/69/34/793936934.db2.gz CDPPOPSSEIBZOS-UYAOXDASSA-N 2 1 349.438 2.017 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCCC)CC3)CC1 ZINC000992506532 794445673 /nfs/dbraw/zinc/44/56/73/794445673.db2.gz JOMNAARVUNIFMQ-ICSRJNTNSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCC=C)CC3)CC1 ZINC000992506687 794446999 /nfs/dbraw/zinc/44/69/99/794446999.db2.gz JSQFJMQIJKEWPA-QUCCMNQESA-N 2 1 329.488 2.021 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](CC)CC)o3)CCC[C@H]12 ZINC000992518789 794486914 /nfs/dbraw/zinc/48/69/14/794486914.db2.gz SMDMLAPUAOTUKT-AZUAARDMSA-N 2 1 343.471 2.481 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731789 794678168 /nfs/dbraw/zinc/67/81/68/794678168.db2.gz YVPBIVMQPWRRBF-RDJZCZTQSA-N 2 1 345.512 2.369 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001000151513 795355707 /nfs/dbraw/zinc/35/57/07/795355707.db2.gz XJRNJRTWQIPGSU-SFHVURJKSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107999096 795358761 /nfs/dbraw/zinc/35/87/61/795358761.db2.gz XIVNDHWPDOYYHF-AZUAARDMSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001107999096 795358766 /nfs/dbraw/zinc/35/87/66/795358766.db2.gz XIVNDHWPDOYYHF-AZUAARDMSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001107999096 795358771 /nfs/dbraw/zinc/35/87/71/795358771.db2.gz XIVNDHWPDOYYHF-AZUAARDMSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001107999096 795358777 /nfs/dbraw/zinc/35/87/77/795358777.db2.gz XIVNDHWPDOYYHF-AZUAARDMSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106575223 795864458 /nfs/dbraw/zinc/86/44/58/795864458.db2.gz ZFIWWLZWIIAZKK-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3sccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094426971 796216982 /nfs/dbraw/zinc/21/69/82/796216982.db2.gz BAHCEJGGMKRXSO-VQIMIIECSA-N 2 1 345.512 2.417 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560636 796396019 /nfs/dbraw/zinc/39/60/19/796396019.db2.gz UYTHBPIQQTXOCN-NVXWUHKLSA-N 2 1 337.895 2.196 20 30 EEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171628818 796648411 /nfs/dbraw/zinc/64/84/11/796648411.db2.gz CAFBRLTYCHOROQ-ZDUSSCGKSA-N 2 1 342.871 2.367 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001171725004 796705069 /nfs/dbraw/zinc/70/50/69/796705069.db2.gz CQVRQFBMZVMDMV-UHFFFAOYSA-N 2 1 334.439 2.025 20 30 EEEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001001756667 797175295 /nfs/dbraw/zinc/17/52/95/797175295.db2.gz HTSJSIKEAXFZLK-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C[N@@H+](C1CCC([NH3+])CC1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426150 797447578 /nfs/dbraw/zinc/44/75/78/797447578.db2.gz QQALTCFHAOJLIF-UHFFFAOYSA-N 2 1 340.471 2.365 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001150332202 797700160 /nfs/dbraw/zinc/70/01/60/797700160.db2.gz GZLJUFFTMCLGDI-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150332202 797700163 /nfs/dbraw/zinc/70/01/63/797700163.db2.gz GZLJUFFTMCLGDI-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150332202 797700166 /nfs/dbraw/zinc/70/01/66/797700166.db2.gz GZLJUFFTMCLGDI-KRWDZBQOSA-N 2 1 339.524 2.138 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC=C(C)C)[C@H]2C)CC1 ZINC000994471084 798051069 /nfs/dbraw/zinc/05/10/69/798051069.db2.gz AKNDASOJFVAUCR-PKOBYXMFSA-N 2 1 331.504 2.267 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998025 798600606 /nfs/dbraw/zinc/60/06/06/798600606.db2.gz OLFUUGJWFNMDMN-NEWSRXKRSA-N 2 1 331.504 2.360 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049539 798638559 /nfs/dbraw/zinc/63/85/59/798638559.db2.gz JBARHZBVWFAALM-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049539 798638560 /nfs/dbraw/zinc/63/85/60/798638560.db2.gz JBARHZBVWFAALM-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049539 798638563 /nfs/dbraw/zinc/63/85/63/798638563.db2.gz JBARHZBVWFAALM-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001176986001 798674204 /nfs/dbraw/zinc/67/42/04/798674204.db2.gz AUEOBTCJAJQDPO-INIZCTEOSA-N 2 1 334.489 2.090 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001112585859 806695276 /nfs/dbraw/zinc/69/52/76/806695276.db2.gz VUJXSFSLBDEWGZ-NSHGMRRFSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003375480 799579784 /nfs/dbraw/zinc/57/97/84/799579784.db2.gz QDAYADVRYLAARL-MRXNPFEDSA-N 2 1 325.884 2.194 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)[C@H]1C ZINC001178747518 799609712 /nfs/dbraw/zinc/60/97/12/799609712.db2.gz ZTHODFWIWMPLKC-RLFYNMQTSA-N 2 1 345.491 2.335 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)[C@H]1C ZINC001178747518 799609718 /nfs/dbraw/zinc/60/97/18/799609718.db2.gz ZTHODFWIWMPLKC-RLFYNMQTSA-N 2 1 345.491 2.335 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001179539471 799982809 /nfs/dbraw/zinc/98/28/09/799982809.db2.gz YMFOAVZAEHIXNF-ZVZYQTTQSA-N 2 1 330.476 2.299 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182685 800289296 /nfs/dbraw/zinc/28/92/96/800289296.db2.gz KNRCQYWABGEGRW-OKZBNKHCSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182685 800289302 /nfs/dbraw/zinc/28/93/02/800289302.db2.gz KNRCQYWABGEGRW-OKZBNKHCSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003967206 800675726 /nfs/dbraw/zinc/67/57/26/800675726.db2.gz JFZYXVLVFIETSA-HOCLYGCPSA-N 2 1 327.900 2.440 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181728651 800882712 /nfs/dbraw/zinc/88/27/12/800882712.db2.gz PTENVDCMYNZMMX-YFVAEKQCSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C ZINC001085646790 800952927 /nfs/dbraw/zinc/95/29/27/800952927.db2.gz PYLXNBBBOUKIIJ-UXHICEINSA-N 2 1 339.483 2.125 20 30 EEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001182137988 801040420 /nfs/dbraw/zinc/04/04/20/801040420.db2.gz MDSFELQAMMMALN-OXQOHEQNSA-N 2 1 344.503 2.412 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108206632 801117816 /nfs/dbraw/zinc/11/78/16/801117816.db2.gz HILKIIOGZJYVTK-IEBWSBKVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001182629365 801265242 /nfs/dbraw/zinc/26/52/42/801265242.db2.gz DSMDFAIWMGTPGF-ATZDWAIDSA-N 2 1 339.499 2.459 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184424803 802029449 /nfs/dbraw/zinc/02/94/49/802029449.db2.gz MOUJFVOYZAVQHT-SFANZJOMSA-N 2 1 349.519 2.011 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004432707 802041799 /nfs/dbraw/zinc/04/17/99/802041799.db2.gz DRTUZXKUQCKZKP-OALUTQOASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004432707 802041804 /nfs/dbraw/zinc/04/18/04/802041804.db2.gz DRTUZXKUQCKZKP-OALUTQOASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004432707 802041809 /nfs/dbraw/zinc/04/18/09/802041809.db2.gz DRTUZXKUQCKZKP-OALUTQOASA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004439797 802048399 /nfs/dbraw/zinc/04/83/99/802048399.db2.gz WSUDJAWNLLFJKZ-UXHICEINSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892537 802232380 /nfs/dbraw/zinc/23/23/80/802232380.db2.gz QHRVJGBUOJARSC-ZWKOTPCHSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001086390520 802877855 /nfs/dbraw/zinc/87/78/55/802877855.db2.gz YPNQJWWIWSIPHY-UFYCRDLUSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001086390520 802877858 /nfs/dbraw/zinc/87/78/58/802877858.db2.gz YPNQJWWIWSIPHY-UFYCRDLUSA-N 2 1 339.483 2.077 20 30 EEEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001108421055 803506522 /nfs/dbraw/zinc/50/65/22/803506522.db2.gz GKJKXSDBIWQVCY-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421055 803506527 /nfs/dbraw/zinc/50/65/27/803506527.db2.gz GKJKXSDBIWQVCY-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421055 803506530 /nfs/dbraw/zinc/50/65/30/803506530.db2.gz GKJKXSDBIWQVCY-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1ccc2ccccc2c1 ZINC001129771304 810994281 /nfs/dbraw/zinc/99/42/81/810994281.db2.gz VCTUXPUSMAGZNC-NRFANRHFSA-N 2 1 349.478 2.186 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1ccc2ccccc2c1 ZINC001129771304 810994284 /nfs/dbraw/zinc/99/42/84/810994284.db2.gz VCTUXPUSMAGZNC-NRFANRHFSA-N 2 1 349.478 2.186 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCOCCOCC[NH3+])cc1 ZINC001170513259 812010327 /nfs/dbraw/zinc/01/03/27/812010327.db2.gz FKWAWWXKASFJGJ-LJQANCHMSA-N 2 1 333.476 2.413 20 30 EEEDMP C[N@H+](CCNC(=O)CCC[NH+]1CCCCC1)Cc1ccc(C#N)s1 ZINC001437563028 1090032967 /nfs/dbraw/zinc/03/29/67/1090032967.db2.gz LLBCJZAPKBOFMQ-UHFFFAOYSA-N 2 1 348.516 2.434 20 30 EEEDMP C[N@@H+](CCNC(=O)CCC[NH+]1CCCCC1)Cc1ccc(C#N)s1 ZINC001437563028 1090032976 /nfs/dbraw/zinc/03/29/76/1090032976.db2.gz LLBCJZAPKBOFMQ-UHFFFAOYSA-N 2 1 348.516 2.434 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001440597673 1093863382 /nfs/dbraw/zinc/86/33/82/1093863382.db2.gz VIRYNKLUEUJBRD-WMLDXEAASA-N 2 1 335.879 2.307 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001440597673 1093863389 /nfs/dbraw/zinc/86/33/89/1093863389.db2.gz VIRYNKLUEUJBRD-WMLDXEAASA-N 2 1 335.879 2.307 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001441205952 1094568040 /nfs/dbraw/zinc/56/80/40/1094568040.db2.gz LLWXIOLCNLTXAY-CQSZACIVSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001441205952 1094568041 /nfs/dbraw/zinc/56/80/41/1094568041.db2.gz LLWXIOLCNLTXAY-CQSZACIVSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001441411837 1094992386 /nfs/dbraw/zinc/99/23/86/1094992386.db2.gz AAIJGAJTXFAGRN-QAQDUYKDSA-N 2 1 346.450 2.166 20 30 EEEDMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001443926600 1098446576 /nfs/dbraw/zinc/44/65/76/1098446576.db2.gz BOUCKZRXRDXFAR-INIZCTEOSA-N 2 1 346.450 2.166 20 30 EEEDMP C[N@@H+](CC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1)C1CCC1 ZINC001498770791 1108067719 /nfs/dbraw/zinc/06/77/19/1108067719.db2.gz QZFVXRTWFXKFLZ-LJQANCHMSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448013511 242354328 /nfs/dbraw/zinc/35/43/28/242354328.db2.gz XDRPBDRTQJMGLV-QGZVFWFLSA-N 2 1 336.524 2.447 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000491474273 246042260 /nfs/dbraw/zinc/04/22/60/246042260.db2.gz LJYOEZYGHWZWFO-OAHLLOKOSA-N 2 1 325.250 2.027 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000491474273 246042264 /nfs/dbraw/zinc/04/22/64/246042264.db2.gz LJYOEZYGHWZWFO-OAHLLOKOSA-N 2 1 325.250 2.027 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000491698998 246117015 /nfs/dbraw/zinc/11/70/15/246117015.db2.gz UANNQSOKGXAKLY-MRXNPFEDSA-N 2 1 328.378 2.458 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000491698998 246117018 /nfs/dbraw/zinc/11/70/18/246117018.db2.gz UANNQSOKGXAKLY-MRXNPFEDSA-N 2 1 328.378 2.458 20 30 EEEDMP COc1ccc(CCNC(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000129628639 462716653 /nfs/dbraw/zinc/71/66/53/462716653.db2.gz QTHBSPMVGYXUDV-QGZVFWFLSA-N 2 1 332.492 2.120 20 30 EEEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262401798 464019233 /nfs/dbraw/zinc/01/92/33/464019233.db2.gz NXROKUIOQQJOLU-WBVHZDCISA-N 2 1 330.476 2.392 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1coc(-c2cccs2)n1 ZINC000264084307 464281128 /nfs/dbraw/zinc/28/11/28/464281128.db2.gz JDZAKOAPUIPPIY-ZDUSSCGKSA-N 2 1 333.461 2.292 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(-c2ccccc2)on1 ZINC000264107139 464283459 /nfs/dbraw/zinc/28/34/59/464283459.db2.gz PXYOWUVSAVXCSD-MRXNPFEDSA-N 2 1 327.432 2.230 20 30 EEEDMP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000180997968 464431734 /nfs/dbraw/zinc/43/17/34/464431734.db2.gz SZKFOCFTADNFQJ-KRWDZBQOSA-N 2 1 327.453 2.476 20 30 EEEDMP CCCCCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272787446 464688957 /nfs/dbraw/zinc/68/89/57/464688957.db2.gz BYQWYJHKAMPGRD-GOSISDBHSA-N 2 1 332.492 2.238 20 30 EEEDMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]([NH3+])CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000424176387 466997090 /nfs/dbraw/zinc/99/70/90/466997090.db2.gz RGNNTEVUVWMTRV-QRQLOZEOSA-N 2 1 342.487 2.424 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C#N)C[C@@H]1C ZINC000528397529 467682083 /nfs/dbraw/zinc/68/20/83/467682083.db2.gz QMKBWWJHXZASJA-SZMVWBNQSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2C#N)C[C@@H]1C ZINC000528397529 467682085 /nfs/dbraw/zinc/68/20/85/467682085.db2.gz QMKBWWJHXZASJA-SZMVWBNQSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2C#N)C[C@@H]1C ZINC000528397529 467682088 /nfs/dbraw/zinc/68/20/88/467682088.db2.gz QMKBWWJHXZASJA-SZMVWBNQSA-N 2 1 331.460 2.103 20 30 EEEDMP N#CCN1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000610812933 469078372 /nfs/dbraw/zinc/07/83/72/469078372.db2.gz PZPOOAGDPALWSR-UHFFFAOYSA-N 2 1 326.488 2.271 20 30 EEEDMP C#CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039211529 676141531 /nfs/dbraw/zinc/14/15/31/676141531.db2.gz BEYSJGMRGBJTHO-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039211529 676141532 /nfs/dbraw/zinc/14/15/32/676141532.db2.gz BEYSJGMRGBJTHO-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039211529 676141533 /nfs/dbraw/zinc/14/15/33/676141533.db2.gz BEYSJGMRGBJTHO-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(C)c2)C1 ZINC000969864829 675265843 /nfs/dbraw/zinc/26/58/43/675265843.db2.gz GERSZGKRFBFJSY-PXNSSMCTSA-N 2 1 339.483 2.029 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(C)c2)C1 ZINC000969864829 675265844 /nfs/dbraw/zinc/26/58/44/675265844.db2.gz GERSZGKRFBFJSY-PXNSSMCTSA-N 2 1 339.483 2.029 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001021096328 675728976 /nfs/dbraw/zinc/72/89/76/675728976.db2.gz NZMQLNTWBQWROP-FHWLQOOXSA-N 2 1 340.471 2.169 20 30 EEEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326654 675790286 /nfs/dbraw/zinc/79/02/86/675790286.db2.gz UVTVVHBTTGCPOD-QFBILLFUSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](C(C)C)CC[C@@H]32)CC1 ZINC001021738953 676397036 /nfs/dbraw/zinc/39/70/36/676397036.db2.gz FWDPQBMAISNUIE-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001022221950 676743438 /nfs/dbraw/zinc/74/34/38/676743438.db2.gz SORTWFXMKYFNCJ-YRPNKDGESA-N 2 1 339.483 2.472 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001022221950 676743439 /nfs/dbraw/zinc/74/34/39/676743439.db2.gz SORTWFXMKYFNCJ-YRPNKDGESA-N 2 1 339.483 2.472 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023423306 679300466 /nfs/dbraw/zinc/30/04/66/679300466.db2.gz WKMZUKUJZMQBCR-MJGOQNOKSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023423306 679300468 /nfs/dbraw/zinc/30/04/68/679300468.db2.gz WKMZUKUJZMQBCR-MJGOQNOKSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023423306 679300470 /nfs/dbraw/zinc/30/04/70/679300470.db2.gz WKMZUKUJZMQBCR-MJGOQNOKSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023423306 679300472 /nfs/dbraw/zinc/30/04/72/679300472.db2.gz WKMZUKUJZMQBCR-MJGOQNOKSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023423306 679300473 /nfs/dbraw/zinc/30/04/73/679300473.db2.gz WKMZUKUJZMQBCR-MJGOQNOKSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587993 679399921 /nfs/dbraw/zinc/39/99/21/679399921.db2.gz PJBMPMPWJVDZSO-DLBZAZTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587993 679399923 /nfs/dbraw/zinc/39/99/23/679399923.db2.gz PJBMPMPWJVDZSO-DLBZAZTESA-N 2 1 330.476 2.158 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026893881 685260053 /nfs/dbraw/zinc/26/00/53/685260053.db2.gz PPVAKFMORYNXOK-OALUTQOASA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026893881 685260055 /nfs/dbraw/zinc/26/00/55/685260055.db2.gz PPVAKFMORYNXOK-OALUTQOASA-N 2 1 329.488 2.023 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982808898 681300907 /nfs/dbraw/zinc/30/09/07/681300907.db2.gz UNOCANVKMARKNC-KDURUIRLSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982808898 681300911 /nfs/dbraw/zinc/30/09/11/681300911.db2.gz UNOCANVKMARKNC-KDURUIRLSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2C/C=C/Cl)CC1 ZINC001024812352 681465622 /nfs/dbraw/zinc/46/56/22/681465622.db2.gz NXIQOIRGGASULF-HFTQHKIXSA-N 2 1 337.895 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2C/C=C/Cl)CC1 ZINC001024812352 681465624 /nfs/dbraw/zinc/46/56/24/681465624.db2.gz NXIQOIRGGASULF-HFTQHKIXSA-N 2 1 337.895 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553439 681628038 /nfs/dbraw/zinc/62/80/38/681628038.db2.gz LEQUVZPWACVSHM-RYQLBKOJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553439 681628044 /nfs/dbraw/zinc/62/80/44/681628044.db2.gz LEQUVZPWACVSHM-RYQLBKOJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553439 681628052 /nfs/dbraw/zinc/62/80/52/681628052.db2.gz LEQUVZPWACVSHM-RYQLBKOJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553439 681628054 /nfs/dbraw/zinc/62/80/54/681628054.db2.gz LEQUVZPWACVSHM-RYQLBKOJSA-N 2 1 339.911 2.394 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642172 681950364 /nfs/dbraw/zinc/95/03/64/681950364.db2.gz QQQNIIZMYGSNHH-UKAVVXHISA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982642172 681950368 /nfs/dbraw/zinc/95/03/68/681950368.db2.gz QQQNIIZMYGSNHH-UKAVVXHISA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982642172 681950372 /nfs/dbraw/zinc/95/03/72/681950372.db2.gz QQQNIIZMYGSNHH-UKAVVXHISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025247145 682316337 /nfs/dbraw/zinc/31/63/37/682316337.db2.gz IRWNMRFCCCMJNS-RBUKOAKNSA-N 2 1 336.439 2.427 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259447 682338368 /nfs/dbraw/zinc/33/83/68/682338368.db2.gz PRFPHCWJGFKOSC-MSOLQXFVSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259452 682338379 /nfs/dbraw/zinc/33/83/79/682338379.db2.gz PRFPHCWJGFKOSC-ROUUACIJSA-N 2 1 331.504 2.340 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277540 682387269 /nfs/dbraw/zinc/38/72/69/682387269.db2.gz POMOZAODAGFXJG-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277540 682387272 /nfs/dbraw/zinc/38/72/72/682387272.db2.gz POMOZAODAGFXJG-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261987785 682734256 /nfs/dbraw/zinc/73/42/56/682734256.db2.gz QMTNGUJZQBFFOV-OKZBNKHCSA-N 2 1 346.523 2.073 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001025577138 683034425 /nfs/dbraw/zinc/03/44/25/683034425.db2.gz QHZPZDLFPQZQLU-HZPDHXFCSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001025577138 683034428 /nfs/dbraw/zinc/03/44/28/683034428.db2.gz QHZPZDLFPQZQLU-HZPDHXFCSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000328152765 683219706 /nfs/dbraw/zinc/21/97/06/683219706.db2.gz FTBLLYMWQYYWDB-ZDUSSCGKSA-N 2 1 345.270 2.278 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000328152765 683219711 /nfs/dbraw/zinc/21/97/11/683219711.db2.gz FTBLLYMWQYYWDB-ZDUSSCGKSA-N 2 1 345.270 2.278 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029342639 684043203 /nfs/dbraw/zinc/04/32/03/684043203.db2.gz YHTMDOZCBNTCQT-ZCNNSNEGSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026508995 684707141 /nfs/dbraw/zinc/70/71/41/684707141.db2.gz UJCAMOSKUYCYSB-MHJFOBGBSA-N 2 1 339.483 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026508995 684707142 /nfs/dbraw/zinc/70/71/42/684707142.db2.gz UJCAMOSKUYCYSB-MHJFOBGBSA-N 2 1 339.483 2.301 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033540 686084505 /nfs/dbraw/zinc/08/45/05/686084505.db2.gz DNRQEQPHDSBNCM-RDTXWAMCSA-N 2 1 325.472 2.212 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033540 686084509 /nfs/dbraw/zinc/08/45/09/686084509.db2.gz DNRQEQPHDSBNCM-RDTXWAMCSA-N 2 1 325.472 2.212 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033540 686084513 /nfs/dbraw/zinc/08/45/13/686084513.db2.gz DNRQEQPHDSBNCM-RDTXWAMCSA-N 2 1 325.472 2.212 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985327031 686327923 /nfs/dbraw/zinc/32/79/23/686327923.db2.gz ANYPGSZUXFABAV-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985327031 686327934 /nfs/dbraw/zinc/32/79/34/686327934.db2.gz ANYPGSZUXFABAV-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000985327031 686327939 /nfs/dbraw/zinc/32/79/39/686327939.db2.gz ANYPGSZUXFABAV-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262793380 688479056 /nfs/dbraw/zinc/47/90/56/688479056.db2.gz OZSFXSFRTYPUQG-GVDBMIGSSA-N 2 1 336.524 2.229 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000987269707 689565786 /nfs/dbraw/zinc/56/57/86/689565786.db2.gz SLYRIWPBXRDDML-CJNGLKHVSA-N 2 1 345.834 2.212 20 30 EEEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988964725 691331328 /nfs/dbraw/zinc/33/13/28/691331328.db2.gz DVLNOZYQGUENGQ-KGLIPLIRSA-N 2 1 346.500 2.183 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989610126 692076947 /nfs/dbraw/zinc/07/69/47/692076947.db2.gz XWXYCNHHELSSBN-GDBMZVCRSA-N 2 1 325.416 2.036 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943518902 1192328471 /nfs/dbraw/zinc/32/84/71/1192328471.db2.gz UDULCCUNQKWLSU-QFBILLFUSA-N 2 1 327.472 2.212 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC000995554348 1193145457 /nfs/dbraw/zinc/14/54/57/1193145457.db2.gz WPOAEPISFQDVSF-CVEARBPZSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089892783 1193201524 /nfs/dbraw/zinc/20/15/24/1193201524.db2.gz LQRQAQUFSDZWOC-HZMVEIRTSA-N 2 1 349.906 2.004 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)C[C@H](C)O2 ZINC001098635264 1187041673 /nfs/dbraw/zinc/04/16/73/1187041673.db2.gz GAOYZLGIXWJOIU-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168323122 1188292011 /nfs/dbraw/zinc/29/20/11/1188292011.db2.gz RKANSAYZRMFFDB-LEOMRAHMSA-N 2 1 332.492 2.395 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168345756 1188312648 /nfs/dbraw/zinc/31/26/48/1188312648.db2.gz SXTNHCQVBXHCNJ-OAHLLOKOSA-N 2 1 327.900 2.489 20 30 EEEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)cc1 ZINC001272910919 1193601212 /nfs/dbraw/zinc/60/12/12/1193601212.db2.gz HAAZHYOAPKIGIA-FQEVSTJZSA-N 2 1 340.471 2.077 20 30 EEEDMP CCCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001484792292 1191527485 /nfs/dbraw/zinc/52/74/85/1191527485.db2.gz JYICWWNWQWCCBM-DLBZAZTESA-N 2 1 337.508 2.011 20 30 EEEDMP CCCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001484792292 1191527487 /nfs/dbraw/zinc/52/74/87/1191527487.db2.gz JYICWWNWQWCCBM-DLBZAZTESA-N 2 1 337.508 2.011 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365972 1194481395 /nfs/dbraw/zinc/48/13/95/1194481395.db2.gz RWSGHTQTZIAXRN-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365972 1194481397 /nfs/dbraw/zinc/48/13/97/1194481397.db2.gz RWSGHTQTZIAXRN-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365972 1194481399 /nfs/dbraw/zinc/48/13/99/1194481399.db2.gz RWSGHTQTZIAXRN-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524113 1196328100 /nfs/dbraw/zinc/32/81/00/1196328100.db2.gz DKMCSTIRSNEWFK-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524113 1196328103 /nfs/dbraw/zinc/32/81/03/1196328103.db2.gz DKMCSTIRSNEWFK-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524113 1196328109 /nfs/dbraw/zinc/32/81/09/1196328109.db2.gz DKMCSTIRSNEWFK-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001034524113 1196328114 /nfs/dbraw/zinc/32/81/14/1196328114.db2.gz DKMCSTIRSNEWFK-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034664065 1196475203 /nfs/dbraw/zinc/47/52/03/1196475203.db2.gz UJCAMOSKUYCYSB-UFYCRDLUSA-N 2 1 339.483 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034664065 1196475205 /nfs/dbraw/zinc/47/52/05/1196475205.db2.gz UJCAMOSKUYCYSB-UFYCRDLUSA-N 2 1 339.483 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034962358 1196943875 /nfs/dbraw/zinc/94/38/75/1196943875.db2.gz KKJVYZZEJUUBBH-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034962358 1196943879 /nfs/dbraw/zinc/94/38/79/1196943879.db2.gz KKJVYZZEJUUBBH-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001132737235 1199965268 /nfs/dbraw/zinc/96/52/68/1199965268.db2.gz JQMSDJGPUCTZFW-QGZVFWFLSA-N 2 1 346.450 2.025 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001132886449 1200153232 /nfs/dbraw/zinc/15/32/32/1200153232.db2.gz MZLCNADQJFBKAY-RDJZCZTQSA-N 2 1 347.890 2.128 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001132986870 1200279069 /nfs/dbraw/zinc/27/90/69/1200279069.db2.gz ORDIUGFIWJNWEM-HZPDHXFCSA-N 2 1 330.476 2.022 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133404075 1200867227 /nfs/dbraw/zinc/86/72/27/1200867227.db2.gz WQKLHWHZLYUGIC-MAUKXSAKSA-N 2 1 347.890 2.089 20 30 EEEDMP C=CCn1cc(C[N@@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)cn1 ZINC001275381037 1205330663 /nfs/dbraw/zinc/33/06/63/1205330663.db2.gz DOVHEHKHNCJCME-HXUWFJFHSA-N 2 1 345.535 2.309 20 30 EEEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001275829242 1205554511 /nfs/dbraw/zinc/55/45/11/1205554511.db2.gz TUHVTMIVUNEAEP-UHFFFAOYSA-N 2 1 343.471 2.467 20 30 EEEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001275829242 1205554512 /nfs/dbraw/zinc/55/45/12/1205554512.db2.gz TUHVTMIVUNEAEP-UHFFFAOYSA-N 2 1 343.471 2.467 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947362851 1208547150 /nfs/dbraw/zinc/54/71/50/1208547150.db2.gz ZMLYZEUWQIXOFM-ZBFHGGJFSA-N 2 1 333.501 2.416 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000948565333 1209225810 /nfs/dbraw/zinc/22/58/10/1209225810.db2.gz CJPOIBQTEYRFTR-CVEARBPZSA-N 2 1 330.476 2.322 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000948565333 1209225814 /nfs/dbraw/zinc/22/58/14/1209225814.db2.gz CJPOIBQTEYRFTR-CVEARBPZSA-N 2 1 330.476 2.322 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000948604757 1209247286 /nfs/dbraw/zinc/24/72/86/1209247286.db2.gz ILJGWHVBWBAICN-INIZCTEOSA-N 2 1 339.443 2.380 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000303793931 1213906843 /nfs/dbraw/zinc/90/68/43/1213906843.db2.gz ZZICXVKEGDASLG-QZTJIDSGSA-N 3 1 337.556 2.276 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000304759463 1216103422 /nfs/dbraw/zinc/10/34/22/1216103422.db2.gz RGJMVSYLYVRIGK-QGZVFWFLSA-N 2 1 347.463 2.306 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000959913308 1216223535 /nfs/dbraw/zinc/22/35/35/1216223535.db2.gz MJCAEXSDWNWZQI-YSHGAJCASA-N 2 1 331.504 2.264 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000959913308 1216223541 /nfs/dbraw/zinc/22/35/41/1216223541.db2.gz MJCAEXSDWNWZQI-YSHGAJCASA-N 2 1 331.504 2.264 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000959913308 1216223543 /nfs/dbraw/zinc/22/35/43/1216223543.db2.gz MJCAEXSDWNWZQI-YSHGAJCASA-N 2 1 331.504 2.264 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180482 1217073906 /nfs/dbraw/zinc/07/39/06/1217073906.db2.gz HKESATFYSWNGAI-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961375585 1217163925 /nfs/dbraw/zinc/16/39/25/1217163925.db2.gz PAIMGGGXFDDPII-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961375585 1217163926 /nfs/dbraw/zinc/16/39/26/1217163926.db2.gz PAIMGGGXFDDPII-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961375585 1217163928 /nfs/dbraw/zinc/16/39/28/1217163928.db2.gz PAIMGGGXFDDPII-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000961940571 1217413423 /nfs/dbraw/zinc/41/34/23/1217413423.db2.gz PTPOYCWTOLDYAB-ACBHZAAOSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000961940571 1217413426 /nfs/dbraw/zinc/41/34/26/1217413426.db2.gz PTPOYCWTOLDYAB-ACBHZAAOSA-N 2 1 331.504 2.149 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337329 1217532402 /nfs/dbraw/zinc/53/24/02/1217532402.db2.gz NYRPIJMLHYEUEW-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337329 1217532404 /nfs/dbraw/zinc/53/24/04/1217532404.db2.gz NYRPIJMLHYEUEW-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364961 1217561078 /nfs/dbraw/zinc/56/10/78/1217561078.db2.gz DRMMHQFAPWFQKF-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000964056047 1218219719 /nfs/dbraw/zinc/21/97/19/1218219719.db2.gz XQFZGTIWPDUTPQ-UHFFFAOYSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000964711320 1218563203 /nfs/dbraw/zinc/56/32/03/1218563203.db2.gz YOXGWADMMWAJMP-AKJOHPPZSA-N 2 1 342.487 2.347 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486193 1219786981 /nfs/dbraw/zinc/78/69/81/1219786981.db2.gz CMHDVXFDIJJUQZ-GOEBONIOSA-N 2 1 333.501 2.273 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486193 1219786984 /nfs/dbraw/zinc/78/69/84/1219786984.db2.gz CMHDVXFDIJJUQZ-GOEBONIOSA-N 2 1 333.501 2.273 20 30 EEEDMP C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007493848 1222258974 /nfs/dbraw/zinc/25/89/74/1222258974.db2.gz VSYNZZZDCSVNTQ-CVEARBPZSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008600826 1222954634 /nfs/dbraw/zinc/95/46/34/1222954634.db2.gz BLNRGQTVZXFVST-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008600826 1222954638 /nfs/dbraw/zinc/95/46/38/1222954638.db2.gz BLNRGQTVZXFVST-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008600826 1222954642 /nfs/dbraw/zinc/95/46/42/1222954642.db2.gz BLNRGQTVZXFVST-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)C)CC2 ZINC001016670295 1226756960 /nfs/dbraw/zinc/75/69/60/1226756960.db2.gz PJXXPBPRLLNZRN-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)C)CC2 ZINC001016670295 1226756968 /nfs/dbraw/zinc/75/69/68/1226756968.db2.gz PJXXPBPRLLNZRN-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016788536 1226878463 /nfs/dbraw/zinc/87/84/63/1226878463.db2.gz ZRAVCLJKKTUUKI-OALUTQOASA-N 2 1 343.515 2.387 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016858155 1226925969 /nfs/dbraw/zinc/92/59/69/1226925969.db2.gz BYSJIEJWWUTJPJ-INIZCTEOSA-N 2 1 328.460 2.001 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001020214020 1229558683 /nfs/dbraw/zinc/55/86/83/1229558683.db2.gz DVHWVKGVJVZGBI-CKEIUWERSA-N 2 1 346.500 2.231 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247004 1230482097 /nfs/dbraw/zinc/48/20/97/1230482097.db2.gz SONXBQUCEICNDI-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001039424509 1230601948 /nfs/dbraw/zinc/60/19/48/1230601948.db2.gz UENAPMJWSSCHTA-SCTDSRPQSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001039424509 1230601951 /nfs/dbraw/zinc/60/19/51/1230601951.db2.gz UENAPMJWSSCHTA-SCTDSRPQSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)n3cnc(C)c3)C2)C1 ZINC001040259673 1231137408 /nfs/dbraw/zinc/13/74/08/1231137408.db2.gz YBIZXQADBJENJZ-LJQANCHMSA-N 2 1 330.476 2.427 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040356312 1231185269 /nfs/dbraw/zinc/18/52/69/1231185269.db2.gz IKHIKICWSXRNRG-HXUWFJFHSA-N 2 1 343.471 2.293 20 30 EEEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433240 1231229860 /nfs/dbraw/zinc/22/98/60/1231229860.db2.gz VAZFULYHZUUPDI-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433240 1231229863 /nfs/dbraw/zinc/22/98/63/1231229863.db2.gz VAZFULYHZUUPDI-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433240 1231229865 /nfs/dbraw/zinc/22/98/65/1231229865.db2.gz VAZFULYHZUUPDI-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC)C3)CC1 ZINC001040542425 1231283694 /nfs/dbraw/zinc/28/36/94/1231283694.db2.gz IFWDWMSZJNGIHU-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545639 1231286180 /nfs/dbraw/zinc/28/61/80/1231286180.db2.gz TWHVRWCJZGACMH-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545639 1231286181 /nfs/dbraw/zinc/28/61/81/1231286181.db2.gz TWHVRWCJZGACMH-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545639 1231286182 /nfs/dbraw/zinc/28/61/82/1231286182.db2.gz TWHVRWCJZGACMH-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699694 1231339967 /nfs/dbraw/zinc/33/99/67/1231339967.db2.gz DEWQQHFBNSEVIU-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001040869588 1231391678 /nfs/dbraw/zinc/39/16/78/1231391678.db2.gz LFDOBTVDNARUPQ-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301333 1231499113 /nfs/dbraw/zinc/49/91/13/1231499113.db2.gz LMXBNOUZHPBFOM-YLJYHZDGSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301333 1231499116 /nfs/dbraw/zinc/49/91/16/1231499116.db2.gz LMXBNOUZHPBFOM-YLJYHZDGSA-N 2 1 342.487 2.344 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598526 1231616909 /nfs/dbraw/zinc/61/69/09/1231616909.db2.gz APOYERUMVPKRBW-BQFCYCMXSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598526 1231616910 /nfs/dbraw/zinc/61/69/10/1231616910.db2.gz APOYERUMVPKRBW-BQFCYCMXSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598526 1231616911 /nfs/dbraw/zinc/61/69/11/1231616911.db2.gz APOYERUMVPKRBW-BQFCYCMXSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598526 1231616913 /nfs/dbraw/zinc/61/69/13/1231616913.db2.gz APOYERUMVPKRBW-BQFCYCMXSA-N 2 1 339.911 2.394 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042123541 1231904677 /nfs/dbraw/zinc/90/46/77/1231904677.db2.gz SQXYLOIBLKSIOM-QFBILLFUSA-N 2 1 336.439 2.202 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC001044332790 1232877621 /nfs/dbraw/zinc/87/76/21/1232877621.db2.gz JOKFSVASDNDLDM-KRWDZBQOSA-N 2 1 339.483 2.235 20 30 EEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC001044792595 1233268632 /nfs/dbraw/zinc/26/86/32/1233268632.db2.gz LPEPUXMFXBZSBF-GOEBONIOSA-N 2 1 325.416 2.036 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001048533010 1237894703 /nfs/dbraw/zinc/89/47/03/1237894703.db2.gz NDLFASJDHJBEMC-MHORFTMASA-N 2 1 340.471 2.143 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001048533010 1237894714 /nfs/dbraw/zinc/89/47/14/1237894714.db2.gz NDLFASJDHJBEMC-MHORFTMASA-N 2 1 340.471 2.143 20 30 EEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001048588835 1238036766 /nfs/dbraw/zinc/03/67/66/1238036766.db2.gz ODRAKLBOGBWLQY-FCGDIQPGSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001048588835 1238036774 /nfs/dbraw/zinc/03/67/74/1238036774.db2.gz ODRAKLBOGBWLQY-FCGDIQPGSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001048588835 1238036779 /nfs/dbraw/zinc/03/67/79/1238036779.db2.gz ODRAKLBOGBWLQY-FCGDIQPGSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001048588835 1238036788 /nfs/dbraw/zinc/03/67/88/1238036788.db2.gz ODRAKLBOGBWLQY-FCGDIQPGSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001048589865 1238041619 /nfs/dbraw/zinc/04/16/19/1238041619.db2.gz BXRKEVAVORKTAB-FNLKRUPLSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001048590582 1238043848 /nfs/dbraw/zinc/04/38/48/1238043848.db2.gz OURXVMINABCNKP-FCGDIQPGSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048590582 1238043861 /nfs/dbraw/zinc/04/38/61/1238043861.db2.gz OURXVMINABCNKP-FCGDIQPGSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048590582 1238043868 /nfs/dbraw/zinc/04/38/68/1238043868.db2.gz OURXVMINABCNKP-FCGDIQPGSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048817892 1238730845 /nfs/dbraw/zinc/73/08/45/1238730845.db2.gz ZCMPTRVAIUBUSH-OWCLPIDISA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817892 1238730856 /nfs/dbraw/zinc/73/08/56/1238730856.db2.gz ZCMPTRVAIUBUSH-OWCLPIDISA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817892 1238730868 /nfs/dbraw/zinc/73/08/68/1238730868.db2.gz ZCMPTRVAIUBUSH-OWCLPIDISA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887793 1239147244 /nfs/dbraw/zinc/14/72/44/1239147244.db2.gz DQMSCTAISVSZME-HCXYKTFWSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048887793 1239147251 /nfs/dbraw/zinc/14/72/51/1239147251.db2.gz DQMSCTAISVSZME-HCXYKTFWSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048887793 1239147258 /nfs/dbraw/zinc/14/72/58/1239147258.db2.gz DQMSCTAISVSZME-HCXYKTFWSA-N 2 1 331.504 2.360 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000194482 1240048966 /nfs/dbraw/zinc/04/89/66/1240048966.db2.gz VTALLYONSUGCDX-CABCVRRESA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000202024 1240056978 /nfs/dbraw/zinc/05/69/78/1240056978.db2.gz SIFXWQDWDUENES-LSDHHAIUSA-N 2 1 336.867 2.087 20 30 EEEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049166072 1240165468 /nfs/dbraw/zinc/16/54/68/1240165468.db2.gz NAASJDZBUSJVAW-QKLQHJQFSA-N 2 1 327.472 2.040 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048610 1242719938 /nfs/dbraw/zinc/71/99/38/1242719938.db2.gz GIBLFEDCWKRYOV-NLWGTHIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048610 1242719946 /nfs/dbraw/zinc/71/99/46/1242719946.db2.gz GIBLFEDCWKRYOV-NLWGTHIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048610 1242719960 /nfs/dbraw/zinc/71/99/60/1242719960.db2.gz GIBLFEDCWKRYOV-NLWGTHIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC(=C)Cl)C[C@H]32)CC1 ZINC001050207527 1243123650 /nfs/dbraw/zinc/12/36/50/1243123650.db2.gz UKSHROCSSVOOMX-ZWKOTPCHSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC(=C)Cl)C[C@H]32)CC1 ZINC001050207527 1243123653 /nfs/dbraw/zinc/12/36/53/1243123653.db2.gz UKSHROCSSVOOMX-ZWKOTPCHSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050575276 1243871006 /nfs/dbraw/zinc/87/10/06/1243871006.db2.gz ALQKXEAPKNGLRG-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)CC1 ZINC001050634614 1244001143 /nfs/dbraw/zinc/00/11/43/1244001143.db2.gz DTWCCGIGCKGXJM-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)cccc2C1 ZINC001051288742 1245481635 /nfs/dbraw/zinc/48/16/35/1245481635.db2.gz VUGKJRYYSZFCFH-HXUWFJFHSA-N 2 1 339.483 2.189 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc2c1CC[N@@H+](C(C)C)C2 ZINC001051290439 1245485883 /nfs/dbraw/zinc/48/58/83/1245485883.db2.gz MDYKNUAPTDMDJC-FQEVSTJZSA-N 2 1 339.483 2.167 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc2c1CC[N@H+](C(C)C)C2 ZINC001051290439 1245485887 /nfs/dbraw/zinc/48/58/87/1245485887.db2.gz MDYKNUAPTDMDJC-FQEVSTJZSA-N 2 1 339.483 2.167 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc2c1CC[NH+](C(C)C)C2 ZINC001051290439 1245485892 /nfs/dbraw/zinc/48/58/92/1245485892.db2.gz MDYKNUAPTDMDJC-FQEVSTJZSA-N 2 1 339.483 2.167 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc2c1CC[NH+](C(C)C)C2 ZINC001051290439 1245485896 /nfs/dbraw/zinc/48/58/96/1245485896.db2.gz MDYKNUAPTDMDJC-FQEVSTJZSA-N 2 1 339.483 2.167 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052965830 1245571999 /nfs/dbraw/zinc/57/19/99/1245571999.db2.gz BVKHVLTWJZFKNM-MRXNPFEDSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027116 1245704161 /nfs/dbraw/zinc/70/41/61/1245704161.db2.gz AFHNEQRVUZWQEM-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001101579706 1245985502 /nfs/dbraw/zinc/98/55/02/1245985502.db2.gz RYSSUNYOFJIKRB-UHFFFAOYSA-N 2 1 344.503 2.494 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)CO2 ZINC001053971491 1247085312 /nfs/dbraw/zinc/08/53/12/1247085312.db2.gz LTPDMGKANWASFX-SFHVURJKSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052590198 1247620511 /nfs/dbraw/zinc/62/05/11/1247620511.db2.gz VXQZPBDAEMRCRR-IBGZPJMESA-N 2 1 341.499 2.398 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099496881 1258178040 /nfs/dbraw/zinc/17/80/40/1258178040.db2.gz MZVSQRKSGNPDSP-FJIDUMEYSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496881 1258178043 /nfs/dbraw/zinc/17/80/43/1258178043.db2.gz MZVSQRKSGNPDSP-FJIDUMEYSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496881 1258178046 /nfs/dbraw/zinc/17/80/46/1258178046.db2.gz MZVSQRKSGNPDSP-FJIDUMEYSA-N 2 1 333.520 2.462 20 30 EEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC001185389190 1278605812 /nfs/dbraw/zinc/60/58/12/1278605812.db2.gz GXZZNRJOGCBIRX-JKSUJKDBSA-N 2 1 339.443 2.141 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001186604219 1279174967 /nfs/dbraw/zinc/17/49/67/1279174967.db2.gz AYHBNJVDKWPWED-GOSISDBHSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186604219 1279174973 /nfs/dbraw/zinc/17/49/73/1279174973.db2.gz AYHBNJVDKWPWED-GOSISDBHSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186604219 1279174976 /nfs/dbraw/zinc/17/49/76/1279174976.db2.gz AYHBNJVDKWPWED-GOSISDBHSA-N 2 1 333.520 2.301 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)C1 ZINC001194286239 1282980794 /nfs/dbraw/zinc/98/07/94/1282980794.db2.gz XHVUYXQXTOJBGG-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)C1 ZINC001194286239 1282980798 /nfs/dbraw/zinc/98/07/98/1282980798.db2.gz XHVUYXQXTOJBGG-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001194286239 1282980802 /nfs/dbraw/zinc/98/08/02/1282980802.db2.gz XHVUYXQXTOJBGG-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001194286239 1282980804 /nfs/dbraw/zinc/98/08/04/1282980804.db2.gz XHVUYXQXTOJBGG-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198895506 1285398718 /nfs/dbraw/zinc/39/87/18/1285398718.db2.gz SNUAMSIKPJZDFT-ZWKOTPCHSA-N 2 1 345.487 2.196 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202148535 1289930898 /nfs/dbraw/zinc/93/08/98/1289930898.db2.gz XMYQXZAGJIMVIS-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754139 1294187846 /nfs/dbraw/zinc/18/78/46/1294187846.db2.gz GLHJLLIAIJUMMB-YRXWBPOGSA-N 2 1 349.519 2.031 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754139 1294187850 /nfs/dbraw/zinc/18/78/50/1294187850.db2.gz GLHJLLIAIJUMMB-YRXWBPOGSA-N 2 1 349.519 2.031 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754139 1294187854 /nfs/dbraw/zinc/18/78/54/1294187854.db2.gz GLHJLLIAIJUMMB-YRXWBPOGSA-N 2 1 349.519 2.031 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073454816 1297079794 /nfs/dbraw/zinc/07/97/94/1297079794.db2.gz SMWASUJJFPTFGF-HUUCEWRRSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073454816 1297079802 /nfs/dbraw/zinc/07/98/02/1297079802.db2.gz SMWASUJJFPTFGF-HUUCEWRRSA-N 2 1 325.884 2.146 20 30 EEEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001073603393 1297299390 /nfs/dbraw/zinc/29/93/90/1297299390.db2.gz FPOSDKPHAVECAQ-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001073603393 1297299400 /nfs/dbraw/zinc/29/94/00/1297299400.db2.gz FPOSDKPHAVECAQ-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001073603393 1297299410 /nfs/dbraw/zinc/29/94/10/1297299410.db2.gz FPOSDKPHAVECAQ-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001220868281 1298565640 /nfs/dbraw/zinc/56/56/40/1298565640.db2.gz GABOWZOMBMQLEH-CEXWTWQISA-N 2 1 327.472 2.289 20 30 EEEDMP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221356469 1298786776 /nfs/dbraw/zinc/78/67/76/1298786776.db2.gz GOSQTAYJJZGZSY-IRXDYDNUSA-N 2 1 339.524 2.313 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222790293 1299861713 /nfs/dbraw/zinc/86/17/13/1299861713.db2.gz WLFLYPVKQWRRRH-IKGGRYGDSA-N 2 1 325.472 2.165 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372905 1300951916 /nfs/dbraw/zinc/95/19/16/1300951916.db2.gz PYGNAMJREOZVQS-MDZRGWNJSA-N 2 1 339.499 2.459 20 30 EEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372905 1300951920 /nfs/dbraw/zinc/95/19/20/1300951920.db2.gz PYGNAMJREOZVQS-MDZRGWNJSA-N 2 1 339.499 2.459 20 30 EEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372905 1300951922 /nfs/dbraw/zinc/95/19/22/1300951922.db2.gz PYGNAMJREOZVQS-MDZRGWNJSA-N 2 1 339.499 2.459 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103434175 1302955671 /nfs/dbraw/zinc/95/56/71/1302955671.db2.gz SGSWVEZQYGUSCZ-VNQPRFMTSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001103434175 1302955676 /nfs/dbraw/zinc/95/56/76/1302955676.db2.gz SGSWVEZQYGUSCZ-VNQPRFMTSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001103434175 1302955678 /nfs/dbraw/zinc/95/56/78/1302955678.db2.gz SGSWVEZQYGUSCZ-VNQPRFMTSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001230611106 1303316556 /nfs/dbraw/zinc/31/65/56/1303316556.db2.gz LZQYOTKVBOPWKQ-IBGZPJMESA-N 2 1 342.487 2.308 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001230611106 1303316563 /nfs/dbraw/zinc/31/65/63/1303316563.db2.gz LZQYOTKVBOPWKQ-IBGZPJMESA-N 2 1 342.487 2.308 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)CC[N@H+](C)CC)Cc1cccnc1 ZINC001230891029 1303527996 /nfs/dbraw/zinc/52/79/96/1303527996.db2.gz MFVBEPLDNUXZNR-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)CC[NH+](C)CC)Cc1cccnc1 ZINC001230891029 1303527999 /nfs/dbraw/zinc/52/79/99/1303527999.db2.gz MFVBEPLDNUXZNR-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)CC[NH+](C)CC)Cc1cccnc1 ZINC001230891029 1303528004 /nfs/dbraw/zinc/52/80/04/1303528004.db2.gz MFVBEPLDNUXZNR-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782758 1303878605 /nfs/dbraw/zinc/87/86/05/1303878605.db2.gz WYTDPHIMGVOYGW-BJLQDIEVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782758 1303878610 /nfs/dbraw/zinc/87/86/10/1303878610.db2.gz WYTDPHIMGVOYGW-BJLQDIEVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782758 1303878613 /nfs/dbraw/zinc/87/86/13/1303878613.db2.gz WYTDPHIMGVOYGW-BJLQDIEVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006354 1304151462 /nfs/dbraw/zinc/15/14/62/1304151462.db2.gz VUQIAQIAUNRQFC-ICSRJNTNSA-N 2 1 349.519 2.036 20 30 EEEDMP C(#Cc1ccccc1)c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)s1 ZINC001234988622 1305075193 /nfs/dbraw/zinc/07/51/93/1305075193.db2.gz NHBRGIWVDYXTJE-FQEVSTJZSA-N 2 1 337.492 2.285 20 30 EEEDMP C=CCN1CC[C@@]2(CCC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)C1=O ZINC001235495031 1305252295 /nfs/dbraw/zinc/25/22/95/1305252295.db2.gz VNVVZJFMNGERFV-UYAOXDASSA-N 2 1 327.472 2.057 20 30 EEEDMP C=CCN1CC[C@@]2(CCC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)C1=O ZINC001235495031 1305252301 /nfs/dbraw/zinc/25/23/01/1305252301.db2.gz VNVVZJFMNGERFV-UYAOXDASSA-N 2 1 327.472 2.057 20 30 EEEDMP CC(=NNCCC[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000799492947 1305280664 /nfs/dbraw/zinc/28/06/64/1305280664.db2.gz ZRFNUUXYXLCOJP-FQEVSTJZSA-N 2 1 344.503 2.196 20 30 EEEDMP CC(=NNCCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000799492947 1305280667 /nfs/dbraw/zinc/28/06/67/1305280667.db2.gz ZRFNUUXYXLCOJP-FQEVSTJZSA-N 2 1 344.503 2.196 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421951 1309523998 /nfs/dbraw/zinc/52/39/98/1309523998.db2.gz GVNAFBMZANJDRV-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120448476 1309545522 /nfs/dbraw/zinc/54/55/22/1309545522.db2.gz AQXMCTQTFYWRRS-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448476 1309545528 /nfs/dbraw/zinc/54/55/28/1309545528.db2.gz AQXMCTQTFYWRRS-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448476 1309545536 /nfs/dbraw/zinc/54/55/36/1309545536.db2.gz AQXMCTQTFYWRRS-OALUTQOASA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCn2ccnc2)C1 ZINC001120458255 1309555092 /nfs/dbraw/zinc/55/50/92/1309555092.db2.gz DLKJSLDEFIGLHR-RTBURBONSA-N 2 1 342.487 2.390 20 30 EEEDMP CCCCCCC[C@@H](CCC)[NH2+]CCS(=O)(=O)N1CC[NH2+]CC1 ZINC001246099822 1310236543 /nfs/dbraw/zinc/23/65/43/1310236543.db2.gz KKVQDPIHRLLOAQ-QGZVFWFLSA-N 2 1 347.569 2.340 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001246305659 1310276831 /nfs/dbraw/zinc/27/68/31/1310276831.db2.gz INJDZYWVVUWEEL-AEFFLSMTSA-N 3 1 337.508 2.210 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001149921203 1316091075 /nfs/dbraw/zinc/09/10/75/1316091075.db2.gz KQJUCFQWYFHJEH-QGZVFWFLSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001149921203 1316091077 /nfs/dbraw/zinc/09/10/77/1316091077.db2.gz KQJUCFQWYFHJEH-QGZVFWFLSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001149921203 1316091080 /nfs/dbraw/zinc/09/10/80/1316091080.db2.gz KQJUCFQWYFHJEH-QGZVFWFLSA-N 2 1 337.508 2.033 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255592 1317525335 /nfs/dbraw/zinc/52/53/35/1317525335.db2.gz VILVJOCYVXHEKD-HUUCEWRRSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155255592 1317525342 /nfs/dbraw/zinc/52/53/42/1317525342.db2.gz VILVJOCYVXHEKD-HUUCEWRRSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155255592 1317525347 /nfs/dbraw/zinc/52/53/47/1317525347.db2.gz VILVJOCYVXHEKD-HUUCEWRRSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927608 1318294030 /nfs/dbraw/zinc/29/40/30/1318294030.db2.gz MWHIVSBVOHERPJ-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001258909847 1319371008 /nfs/dbraw/zinc/37/10/08/1319371008.db2.gz JSMWWZQJFWGSBL-FUHWJXTLSA-N 2 1 349.523 2.427 20 30 EEEDMP C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001258909847 1319371022 /nfs/dbraw/zinc/37/10/22/1319371022.db2.gz JSMWWZQJFWGSBL-FUHWJXTLSA-N 2 1 349.523 2.427 20 30 EEEDMP C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158750292 1319417720 /nfs/dbraw/zinc/41/77/20/1319417720.db2.gz JYLRIOMUFIFDQD-JKSUJKDBSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158750292 1319417721 /nfs/dbraw/zinc/41/77/21/1319417721.db2.gz JYLRIOMUFIFDQD-JKSUJKDBSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158750292 1319417725 /nfs/dbraw/zinc/41/77/25/1319417725.db2.gz JYLRIOMUFIFDQD-JKSUJKDBSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158750292 1319417727 /nfs/dbraw/zinc/41/77/27/1319417727.db2.gz JYLRIOMUFIFDQD-JKSUJKDBSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158750292 1319417730 /nfs/dbraw/zinc/41/77/30/1319417730.db2.gz JYLRIOMUFIFDQD-JKSUJKDBSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC=C)CC1 ZINC001158914242 1319503950 /nfs/dbraw/zinc/50/39/50/1319503950.db2.gz KXKBZOQVTYMZOI-LJQANCHMSA-N 2 1 331.504 2.221 20 30 EEEDMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001159742436 1319976639 /nfs/dbraw/zinc/97/66/39/1319976639.db2.gz APWOCUYWESGEHA-UHFFFAOYSA-N 2 1 336.443 2.481 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC001160209595 1320099703 /nfs/dbraw/zinc/09/97/03/1320099703.db2.gz RQBDTYJRIJIZCM-KDOFPFPSSA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC001160209595 1320099711 /nfs/dbraw/zinc/09/97/11/1320099711.db2.gz RQBDTYJRIJIZCM-KDOFPFPSSA-N 2 1 349.425 2.219 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161390760 1320485263 /nfs/dbraw/zinc/48/52/63/1320485263.db2.gz JFDATEMGSGPEQK-LJQANCHMSA-N 2 1 331.504 2.411 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390760 1320485260 /nfs/dbraw/zinc/48/52/60/1320485260.db2.gz JFDATEMGSGPEQK-LJQANCHMSA-N 2 1 331.504 2.411 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161390760 1320485262 /nfs/dbraw/zinc/48/52/62/1320485262.db2.gz JFDATEMGSGPEQK-LJQANCHMSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](C[C@H](F)CC)CC2)CC1 ZINC001161947109 1320689886 /nfs/dbraw/zinc/68/98/86/1320689886.db2.gz YGJPXZRQLOFPCB-LJQANCHMSA-N 2 1 349.494 2.218 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994106 1320711135 /nfs/dbraw/zinc/71/11/35/1320711135.db2.gz UDBPQHNAXARTPL-UHFFFAOYSA-N 2 1 331.504 2.414 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)(COC)CC1 ZINC001162533783 1320888534 /nfs/dbraw/zinc/88/85/34/1320888534.db2.gz STYVTTHTXQWRLM-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001162934943 1320991221 /nfs/dbraw/zinc/99/12/21/1320991221.db2.gz MIZZOMGWJYABLD-ICSRJNTNSA-N 2 1 343.515 2.421 20 30 EEEDMP C=CCn1ccc2c1nc[nH+]c2NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163268798 1321082867 /nfs/dbraw/zinc/08/28/67/1321082867.db2.gz FVZHFJSWLUQYSX-KBXCAEBGSA-N 2 1 327.432 2.188 20 30 EEEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163939485 1321252811 /nfs/dbraw/zinc/25/28/11/1321252811.db2.gz AYVQHTAVRUDWSX-KRWDZBQOSA-N 2 1 339.524 2.164 20 30 EEEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163939485 1321252813 /nfs/dbraw/zinc/25/28/13/1321252813.db2.gz AYVQHTAVRUDWSX-KRWDZBQOSA-N 2 1 339.524 2.164 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205296930 1322345202 /nfs/dbraw/zinc/34/52/02/1322345202.db2.gz JCPHMHDOVGNJKZ-LJQANCHMSA-N 2 1 345.531 2.493 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001207757642 1324130322 /nfs/dbraw/zinc/13/03/22/1324130322.db2.gz IHVUOURYGQWZFU-CZUORRHYSA-N 2 1 348.516 2.287 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001207757642 1324130330 /nfs/dbraw/zinc/13/03/30/1324130330.db2.gz IHVUOURYGQWZFU-CZUORRHYSA-N 2 1 348.516 2.287 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001207757642 1324130333 /nfs/dbraw/zinc/13/03/33/1324130333.db2.gz IHVUOURYGQWZFU-CZUORRHYSA-N 2 1 348.516 2.287 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001207757642 1324130340 /nfs/dbraw/zinc/13/03/40/1324130340.db2.gz IHVUOURYGQWZFU-CZUORRHYSA-N 2 1 348.516 2.287 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001209651184 1324999845 /nfs/dbraw/zinc/99/98/45/1324999845.db2.gz NTFRPERPAANOMB-LJQANCHMSA-N 2 1 329.488 2.318 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001210790238 1325435221 /nfs/dbraw/zinc/43/52/21/1325435221.db2.gz WMQLNZBYROWJGS-CQSZACIVSA-N 2 1 334.489 2.042 20 30 EEEDMP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001339880327 1337089624 /nfs/dbraw/zinc/08/96/24/1337089624.db2.gz OFZFIXMLZWZNFX-HOTGVXAUSA-N 2 1 346.523 2.192 20 30 EEEDMP C=CCn1c([C@@H]2CCCCN2C)nnc1N1CCN(C)C(C)(C)C1 ZINC001340263744 1337148167 /nfs/dbraw/zinc/14/81/67/1337148167.db2.gz HLNQEVDDJNMYKM-HNNXBMFYSA-N 2 1 332.496 2.151 20 30 EEEDMP CC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001663422072 1354961095 /nfs/dbraw/zinc/96/10/95/1354961095.db2.gz BJPFYFHMHAIHIM-LJQANCHMSA-N 2 1 347.478 2.202 20 30 EEEDMP CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001663422072 1354961098 /nfs/dbraw/zinc/96/10/98/1354961098.db2.gz BJPFYFHMHAIHIM-LJQANCHMSA-N 2 1 347.478 2.202 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001366435874 1373897722 /nfs/dbraw/zinc/89/77/22/1373897722.db2.gz UTMIYMUPGQAKQN-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001366435874 1373897726 /nfs/dbraw/zinc/89/77/26/1373897726.db2.gz UTMIYMUPGQAKQN-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001366435874 1373897727 /nfs/dbraw/zinc/89/77/27/1373897727.db2.gz UTMIYMUPGQAKQN-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001371662277 1375563088 /nfs/dbraw/zinc/56/30/88/1375563088.db2.gz YKEDCCQFDLTZKR-KBPBESRZSA-N 2 1 346.313 2.254 20 30 EEEDMP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccc(C#N)cc1 ZINC001372444567 1376009061 /nfs/dbraw/zinc/00/90/61/1376009061.db2.gz JJCXCIYLVOSWFP-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001376328820 1378467569 /nfs/dbraw/zinc/46/75/69/1378467569.db2.gz HTUVBQYWXBQEDD-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001378205012 1379785231 /nfs/dbraw/zinc/78/52/31/1379785231.db2.gz VRMNTAHDNNEKGG-KDOFPFPSSA-N 2 1 348.466 2.220 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001378205025 1379785470 /nfs/dbraw/zinc/78/54/70/1379785470.db2.gz VRMNTAHDNNEKGG-RDTXWAMCSA-N 2 1 348.466 2.220 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001391337929 1389277994 /nfs/dbraw/zinc/27/79/94/1389277994.db2.gz ZCYNHAUGWCINRP-INIZCTEOSA-N 2 1 327.900 2.299 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001752782815 1406397887 /nfs/dbraw/zinc/39/78/87/1406397887.db2.gz BGJXBCYDIRYVKG-DLBZAZTESA-N 2 1 330.476 2.248 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001752782815 1406397895 /nfs/dbraw/zinc/39/78/95/1406397895.db2.gz BGJXBCYDIRYVKG-DLBZAZTESA-N 2 1 330.476 2.248 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCC[NH+]1C ZINC001393612612 1390493486 /nfs/dbraw/zinc/49/34/86/1390493486.db2.gz HRPKGNROENJKOJ-SFHVURJKSA-N 2 1 346.450 2.072 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1csc(C)c1 ZINC001753083737 1406674286 /nfs/dbraw/zinc/67/42/86/1406674286.db2.gz PAXLXYXDZCNQES-KRWDZBQOSA-N 2 1 333.501 2.092 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1csc(C)c1 ZINC001753083737 1406674293 /nfs/dbraw/zinc/67/42/93/1406674293.db2.gz PAXLXYXDZCNQES-KRWDZBQOSA-N 2 1 333.501 2.092 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1csc(C)c1 ZINC001753083737 1406674299 /nfs/dbraw/zinc/67/42/99/1406674299.db2.gz PAXLXYXDZCNQES-KRWDZBQOSA-N 2 1 333.501 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1csc(C)c1 ZINC001753083737 1406674305 /nfs/dbraw/zinc/67/43/05/1406674305.db2.gz PAXLXYXDZCNQES-KRWDZBQOSA-N 2 1 333.501 2.092 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001399229373 1394853511 /nfs/dbraw/zinc/85/35/11/1394853511.db2.gz BCJIFYDUNHLXJV-AWEZNQCLSA-N 2 1 345.834 2.072 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402208436 1397852319 /nfs/dbraw/zinc/85/23/19/1397852319.db2.gz JKROEZKOFZHKKJ-INIZCTEOSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402208436 1397852324 /nfs/dbraw/zinc/85/23/24/1397852324.db2.gz JKROEZKOFZHKKJ-INIZCTEOSA-N 2 1 327.900 2.299 20 30 EEEDMP C=CCOCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001755133201 1407141233 /nfs/dbraw/zinc/14/12/33/1407141233.db2.gz GNMZMVXSERMNAV-UHFFFAOYSA-N 2 1 339.524 2.138 20 30 EEEDMP C[N@H+]1CCCN(Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)CC1 ZINC000303900013 1409792689 /nfs/dbraw/zinc/79/26/89/1409792689.db2.gz WKRGSVIDDGXWKX-UHFFFAOYSA-N 2 1 331.508 2.027 20 30 EEEDMP CN1CCC[N@H+](Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)CC1 ZINC000303900013 1409792694 /nfs/dbraw/zinc/79/26/94/1409792694.db2.gz WKRGSVIDDGXWKX-UHFFFAOYSA-N 2 1 331.508 2.027 20 30 EEEDMP CN1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)CC1 ZINC000303900013 1409792699 /nfs/dbraw/zinc/79/26/99/1409792699.db2.gz WKRGSVIDDGXWKX-UHFFFAOYSA-N 2 1 331.508 2.027 20 30 EEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001100401497 1410648548 /nfs/dbraw/zinc/64/85/48/1410648548.db2.gz AXJWNKGLCKDMCJ-TVPLGVNVSA-N 2 1 349.519 2.080 20 30 EEEDMP C=CCC[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CCCCC1 ZINC001115609605 761288917 /nfs/dbraw/zinc/28/89/17/761288917.db2.gz AEIOCRZXQVJYEP-UHFFFAOYSA-N 2 1 334.464 2.335 20 30 EEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676762 764721519 /nfs/dbraw/zinc/72/15/19/764721519.db2.gz XBZKZUBIHSUXTQ-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112178833 783028026 /nfs/dbraw/zinc/02/80/26/783028026.db2.gz GNORIFFOOVPTHH-ZIAGYGMSSA-N 2 1 344.381 2.137 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210240 783061622 /nfs/dbraw/zinc/06/16/22/783061622.db2.gz CSTPRPWJHUANQR-MOPGFXCFSA-N 2 1 327.472 2.328 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980151544 773958351 /nfs/dbraw/zinc/95/83/51/773958351.db2.gz CYELDJFRWLLEDN-JQHSSLGASA-N 2 1 343.471 2.195 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001089660527 774043220 /nfs/dbraw/zinc/04/32/20/774043220.db2.gz KRMCIHYUVNQRGN-DLBZAZTESA-N 2 1 342.487 2.076 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001089660657 774045440 /nfs/dbraw/zinc/04/54/40/774045440.db2.gz NECKDECWRHKBSW-MRXNPFEDSA-N 2 1 338.455 2.496 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779651 783197101 /nfs/dbraw/zinc/19/71/01/783197101.db2.gz SFXFERCQZMHVJX-LLLHUVSDSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779651 783197108 /nfs/dbraw/zinc/19/71/08/783197108.db2.gz SFXFERCQZMHVJX-LLLHUVSDSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779651 783197114 /nfs/dbraw/zinc/19/71/14/783197114.db2.gz SFXFERCQZMHVJX-LLLHUVSDSA-N 2 1 339.911 2.107 20 30 EEEDMP CC#CCN1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000981169322 776662762 /nfs/dbraw/zinc/66/27/62/776662762.db2.gz RHEJSWSCXUVIGW-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169322 776662771 /nfs/dbraw/zinc/66/27/71/776662771.db2.gz RHEJSWSCXUVIGW-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169322 776662778 /nfs/dbraw/zinc/66/27/78/776662778.db2.gz RHEJSWSCXUVIGW-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000981169322 776662784 /nfs/dbraw/zinc/66/27/84/776662784.db2.gz RHEJSWSCXUVIGW-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000981169322 776662791 /nfs/dbraw/zinc/66/27/91/776662791.db2.gz RHEJSWSCXUVIGW-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089819411 776798866 /nfs/dbraw/zinc/79/88/66/776798866.db2.gz GOUBWXSPBGUXCC-MLHJIOFPSA-N 2 1 331.504 2.216 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001089824050 777047000 /nfs/dbraw/zinc/04/70/00/777047000.db2.gz IVEOYVNKADZUHX-RDGPPVDQSA-N 2 1 343.515 2.217 20 30 EEEDMP C[N@H+](CC(=O)N1CCC[NH+](Cc2cccc(C#N)c2)CC1)C1CCC1 ZINC000981336852 777196304 /nfs/dbraw/zinc/19/63/04/777196304.db2.gz DGFRPACZPCWRFT-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[NH+](Cc2cccc(C#N)c2)CC1)C1CCC1 ZINC000981336852 777196308 /nfs/dbraw/zinc/19/63/08/777196308.db2.gz DGFRPACZPCWRFT-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP C[NH+](CC(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1)C1CCC1 ZINC000981336852 777196317 /nfs/dbraw/zinc/19/63/17/777196317.db2.gz DGFRPACZPCWRFT-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP C[NH+](CC(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1)C1CCC1 ZINC000981336852 777196324 /nfs/dbraw/zinc/19/63/24/777196324.db2.gz DGFRPACZPCWRFT-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP Cc1nc(NC(=[NH2+])NCCCC[NH3+])c(C#N)c(C)c1Br ZINC001167878534 778957853 /nfs/dbraw/zinc/95/78/53/778957853.db2.gz MKZJXHIAZCHVAV-UHFFFAOYSA-N 2 1 339.241 2.008 20 30 EEEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC000982115585 779125473 /nfs/dbraw/zinc/12/54/73/779125473.db2.gz XFLYBQUOYZBOQM-HXUWFJFHSA-N 2 1 339.483 2.021 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295374 779603404 /nfs/dbraw/zinc/60/34/04/779603404.db2.gz SCKYIVOEMNDBAS-RLLQIKCJSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295374 779603408 /nfs/dbraw/zinc/60/34/08/779603408.db2.gz SCKYIVOEMNDBAS-RLLQIKCJSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295374 779603411 /nfs/dbraw/zinc/60/34/11/779603411.db2.gz SCKYIVOEMNDBAS-RLLQIKCJSA-N 2 1 333.520 2.321 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCC2CCCC2)CC1 ZINC001028332997 780772102 /nfs/dbraw/zinc/77/21/02/780772102.db2.gz AXBXSZIGJIVOMX-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001028334183 780786450 /nfs/dbraw/zinc/78/64/50/780786450.db2.gz WGCGWBUOEDKYPX-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087572661 781866527 /nfs/dbraw/zinc/86/65/27/781866527.db2.gz AMGXOJNUBOMZIY-YTQUADARSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087572661 781866531 /nfs/dbraw/zinc/86/65/31/781866531.db2.gz AMGXOJNUBOMZIY-YTQUADARSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087572661 781866536 /nfs/dbraw/zinc/86/65/36/781866536.db2.gz AMGXOJNUBOMZIY-YTQUADARSA-N 2 1 331.504 2.243 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001035051862 783658559 /nfs/dbraw/zinc/65/85/59/783658559.db2.gz SIXJWDDMONFSOB-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185452 784023224 /nfs/dbraw/zinc/02/32/24/784023224.db2.gz WGXHDPZGDUHUIR-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035185452 784023228 /nfs/dbraw/zinc/02/32/28/784023228.db2.gz WGXHDPZGDUHUIR-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035185452 784023232 /nfs/dbraw/zinc/02/32/32/784023232.db2.gz WGXHDPZGDUHUIR-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@H+](CC(=C)C)C3)CC2)CC1 ZINC001035257857 784209998 /nfs/dbraw/zinc/20/99/98/784209998.db2.gz YEUJVJRRIQZUHT-UHFFFAOYSA-N 2 1 343.515 2.222 20 30 EEEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135691623 784252873 /nfs/dbraw/zinc/25/28/73/784252873.db2.gz XTSDYABFMYXSFX-QZTJIDSGSA-N 2 1 339.524 2.328 20 30 EEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035705399 784986979 /nfs/dbraw/zinc/98/69/79/784986979.db2.gz AWXRYCKPRRFZKK-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995914961 785837880 /nfs/dbraw/zinc/83/78/80/785837880.db2.gz NAVVQRPKODDGAF-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646815 787996860 /nfs/dbraw/zinc/99/68/60/787996860.db2.gz XLZHYVZFEAOTCJ-SFHLNBCPSA-N 2 1 345.531 2.491 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816134 788523834 /nfs/dbraw/zinc/52/38/34/788523834.db2.gz AWXJNUNLFXHOHM-MJGOQNOKSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107816134 788523839 /nfs/dbraw/zinc/52/38/39/788523839.db2.gz AWXJNUNLFXHOHM-MJGOQNOKSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001107816134 788523851 /nfs/dbraw/zinc/52/38/51/788523851.db2.gz AWXJNUNLFXHOHM-MJGOQNOKSA-N 2 1 339.524 2.258 20 30 EEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001005892751 788716123 /nfs/dbraw/zinc/71/61/23/788716123.db2.gz UJDCXXCWNXDBQG-INIZCTEOSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c(OC)c1 ZINC000923346865 789424953 /nfs/dbraw/zinc/42/49/53/789424953.db2.gz WIPCMJVOGYITDA-KURKYZTESA-N 2 1 348.487 2.223 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146334183 791178868 /nfs/dbraw/zinc/17/88/68/791178868.db2.gz VKRMTPJTYBMNIG-CABCVRRESA-N 2 1 339.443 2.136 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998005658 791817317 /nfs/dbraw/zinc/81/73/17/791817317.db2.gz HRSQCFWVNHBKBC-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071292 793534353 /nfs/dbraw/zinc/53/43/53/793534353.db2.gz PIUPERDUOJKZMG-GGPKGHCWSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036730861 794676439 /nfs/dbraw/zinc/67/64/39/794676439.db2.gz KIVAWRUEWHTPBK-RDJZCZTQSA-N 2 1 345.512 2.369 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001093374065 795108008 /nfs/dbraw/zinc/10/80/08/795108008.db2.gz YJWQGYXSVVJYQD-RTBURBONSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001093374065 795108011 /nfs/dbraw/zinc/10/80/11/795108011.db2.gz YJWQGYXSVVJYQD-RTBURBONSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001093374065 795108013 /nfs/dbraw/zinc/10/80/13/795108013.db2.gz YJWQGYXSVVJYQD-RTBURBONSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001093378455 795114909 /nfs/dbraw/zinc/11/49/09/795114909.db2.gz OHWOZWXSAYJZET-PXNSSMCTSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001093378455 795114914 /nfs/dbraw/zinc/11/49/14/795114914.db2.gz OHWOZWXSAYJZET-PXNSSMCTSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001093378455 795114920 /nfs/dbraw/zinc/11/49/20/795114920.db2.gz OHWOZWXSAYJZET-PXNSSMCTSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249666 795289045 /nfs/dbraw/zinc/28/90/45/795289045.db2.gz MTRIGQMUEAKULB-BPLDGKMQSA-N 2 1 336.867 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@H]21 ZINC001036835140 795340263 /nfs/dbraw/zinc/34/02/63/795340263.db2.gz VJQSRDWGNCPEBX-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036835140 795340271 /nfs/dbraw/zinc/34/02/71/795340271.db2.gz VJQSRDWGNCPEBX-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036835140 795340277 /nfs/dbraw/zinc/34/02/77/795340277.db2.gz VJQSRDWGNCPEBX-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001093832832 795717710 /nfs/dbraw/zinc/71/77/10/795717710.db2.gz BTCVKRMSGBRKJI-RLLQIKCJSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001093832832 795717719 /nfs/dbraw/zinc/71/77/19/795717719.db2.gz BTCVKRMSGBRKJI-RLLQIKCJSA-N 2 1 343.515 2.269 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3occc3C[NH+](C)C)CCC[C@@H]12 ZINC001094498299 796291827 /nfs/dbraw/zinc/29/18/27/796291827.db2.gz DRLYAGGNMOXTGO-YLJYHZDGSA-N 2 1 343.471 2.339 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC3CCC3)C2)CC1 ZINC001036903148 796441628 /nfs/dbraw/zinc/44/16/28/796441628.db2.gz WPBWUCVCZLFSRB-UXHICEINSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C(F)(F)F ZINC001099263683 796454145 /nfs/dbraw/zinc/45/41/45/796454145.db2.gz WBQGFEYCUAUNMD-RRFJBIMHSA-N 2 1 347.425 2.129 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081095796 796628539 /nfs/dbraw/zinc/62/85/39/796628539.db2.gz USJGBBSNJVQKII-OTWHNJEPSA-N 2 1 327.472 2.241 20 30 EEEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001094949901 797092274 /nfs/dbraw/zinc/09/22/74/797092274.db2.gz BQQIUVSHHXTUAQ-BQFCYCMXSA-N 2 1 331.504 2.242 20 30 EEEDMP C[N@H+]1CC[C@@]2(CCN([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992055 797201622 /nfs/dbraw/zinc/20/16/22/797201622.db2.gz PWETXBIVTGMTBJ-JTDSTZFVSA-N 2 1 348.491 2.306 20 30 EEEDMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992055 797201627 /nfs/dbraw/zinc/20/16/27/797201627.db2.gz PWETXBIVTGMTBJ-JTDSTZFVSA-N 2 1 348.491 2.306 20 30 EEEDMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992055 797201632 /nfs/dbraw/zinc/20/16/32/797201632.db2.gz PWETXBIVTGMTBJ-JTDSTZFVSA-N 2 1 348.491 2.306 20 30 EEEDMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992055 797201634 /nfs/dbraw/zinc/20/16/34/797201634.db2.gz PWETXBIVTGMTBJ-JTDSTZFVSA-N 2 1 348.491 2.306 20 30 EEEDMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992055 797201638 /nfs/dbraw/zinc/20/16/38/797201638.db2.gz PWETXBIVTGMTBJ-JTDSTZFVSA-N 2 1 348.491 2.306 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994001360 797247016 /nfs/dbraw/zinc/24/70/16/797247016.db2.gz CPPLTSLSYGUCFX-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001095027888 797250376 /nfs/dbraw/zinc/25/03/76/797250376.db2.gz UXMLHABBJVXQGO-ZVZYQTTQSA-N 2 1 337.427 2.036 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384111 797487335 /nfs/dbraw/zinc/48/73/35/797487335.db2.gz DJNZBKRYULCDNB-RTBURBONSA-N 2 1 345.487 2.143 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001106868828 797559818 /nfs/dbraw/zinc/55/98/18/797559818.db2.gz NOOSHCNESVOKIL-MISYRCLQSA-N 2 1 341.499 2.387 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406354 798200404 /nfs/dbraw/zinc/20/04/04/798200404.db2.gz NIKTWIGROHRDCA-IXDOHACOSA-N 2 1 328.460 2.259 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406354 798200408 /nfs/dbraw/zinc/20/04/08/798200408.db2.gz NIKTWIGROHRDCA-IXDOHACOSA-N 2 1 328.460 2.259 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392516 798333633 /nfs/dbraw/zinc/33/36/33/798333633.db2.gz WBIQIOMWKQQFHV-FGTMMUONSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392516 798333637 /nfs/dbraw/zinc/33/36/37/798333637.db2.gz WBIQIOMWKQQFHV-FGTMMUONSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392516 798333644 /nfs/dbraw/zinc/33/36/44/798333644.db2.gz WBIQIOMWKQQFHV-FGTMMUONSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001177328520 798865339 /nfs/dbraw/zinc/86/53/39/798865339.db2.gz MNDDOIMDMFPRMX-IEBWSBKVSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001003143873 799287105 /nfs/dbraw/zinc/28/71/05/799287105.db2.gz GQXYFCAGLASHMP-CVEARBPZSA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001003143873 799287110 /nfs/dbraw/zinc/28/71/10/799287110.db2.gz GQXYFCAGLASHMP-CVEARBPZSA-N 2 1 325.884 2.336 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001178722125 799581102 /nfs/dbraw/zinc/58/11/02/799581102.db2.gz ADTHMPKFIMWJHT-ACBHZAAOSA-N 2 1 333.520 2.396 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001178722125 799581107 /nfs/dbraw/zinc/58/11/07/799581107.db2.gz ADTHMPKFIMWJHT-ACBHZAAOSA-N 2 1 333.520 2.396 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810614 799632027 /nfs/dbraw/zinc/63/20/27/799632027.db2.gz IXJMELKBGRVNLW-KZNAEPCWSA-N 2 1 339.524 2.326 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810614 799632032 /nfs/dbraw/zinc/63/20/32/799632032.db2.gz IXJMELKBGRVNLW-KZNAEPCWSA-N 2 1 339.524 2.326 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1 ZINC001085422380 800480894 /nfs/dbraw/zinc/48/08/94/800480894.db2.gz QZYXQKOOBHZQGG-IPMKNSEASA-N 2 1 340.471 2.027 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083229 801508855 /nfs/dbraw/zinc/50/88/55/801508855.db2.gz ZINYRSXJDCKIHM-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3CC)CC[C@@H]2C1 ZINC000946597900 801808009 /nfs/dbraw/zinc/80/80/09/801808009.db2.gz PFBNYMGLNQUNDS-OKZBNKHCSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)CC[C@@H]2C1 ZINC000946597900 801808014 /nfs/dbraw/zinc/80/80/14/801808014.db2.gz PFBNYMGLNQUNDS-OKZBNKHCSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)CC[C@@H]2C1 ZINC000946597900 801808016 /nfs/dbraw/zinc/80/80/16/801808016.db2.gz PFBNYMGLNQUNDS-OKZBNKHCSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004440259 802049824 /nfs/dbraw/zinc/04/98/24/802049824.db2.gz YODJXGDTWHZKDI-UXHICEINSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623491 802287780 /nfs/dbraw/zinc/28/77/80/802287780.db2.gz KFELVIYFLVTIRW-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623491 802287786 /nfs/dbraw/zinc/28/77/86/802287786.db2.gz KFELVIYFLVTIRW-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623491 802287792 /nfs/dbraw/zinc/28/77/92/802287792.db2.gz KFELVIYFLVTIRW-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC001437626619 1090141020 /nfs/dbraw/zinc/14/10/20/1090141020.db2.gz VDGOFCKJJWVOJB-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C#N)c1 ZINC001438182864 1090686418 /nfs/dbraw/zinc/68/64/18/1090686418.db2.gz VUACDLQQZJOHGH-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C#N)c1 ZINC001438182864 1090686420 /nfs/dbraw/zinc/68/64/20/1090686420.db2.gz VUACDLQQZJOHGH-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001438182864 1090686426 /nfs/dbraw/zinc/68/64/26/1090686426.db2.gz VUACDLQQZJOHGH-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001438182864 1090686430 /nfs/dbraw/zinc/68/64/30/1090686430.db2.gz VUACDLQQZJOHGH-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCC1 ZINC001501968770 1113541833 /nfs/dbraw/zinc/54/18/33/1113541833.db2.gz VGAXKKHKXUUCNM-MRXNPFEDSA-N 2 1 346.500 2.233 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC001507293423 1115177950 /nfs/dbraw/zinc/17/79/50/1115177950.db2.gz RTABMCGZUMOGDA-RHSMWYFYSA-N 2 1 348.516 2.431 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001520497118 1119169979 /nfs/dbraw/zinc/16/99/79/1119169979.db2.gz NSRGBSWHCXAVPC-IAGOWNOFSA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001520497118 1119169981 /nfs/dbraw/zinc/16/99/81/1119169981.db2.gz NSRGBSWHCXAVPC-IAGOWNOFSA-N 2 1 346.523 2.399 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000491639667 533103765 /nfs/dbraw/zinc/10/37/65/533103765.db2.gz XBTALNLMGPPACK-UHFFFAOYSA-N 2 1 334.508 2.038 20 30 EEEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C#N)cc1OC ZINC000344123814 161200393 /nfs/dbraw/zinc/20/03/93/161200393.db2.gz GTJSAMJEFZRVJS-UHFFFAOYSA-N 2 1 344.503 2.416 20 30 EEEDMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C#N)c1 ZINC000344156491 161203302 /nfs/dbraw/zinc/20/33/02/161203302.db2.gz ACOASDGICYOVGB-OAHLLOKOSA-N 2 1 328.460 2.152 20 30 EEEDMP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000514795003 267337833 /nfs/dbraw/zinc/33/78/33/267337833.db2.gz NLEXBUIJPMRSER-KRWDZBQOSA-N 2 1 332.473 2.366 20 30 EEEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000514795003 267337836 /nfs/dbraw/zinc/33/78/36/267337836.db2.gz NLEXBUIJPMRSER-KRWDZBQOSA-N 2 1 332.473 2.366 20 30 EEEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000514795003 267337840 /nfs/dbraw/zinc/33/78/40/267337840.db2.gz NLEXBUIJPMRSER-KRWDZBQOSA-N 2 1 332.473 2.366 20 30 EEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000514795003 267337843 /nfs/dbraw/zinc/33/78/43/267337843.db2.gz NLEXBUIJPMRSER-KRWDZBQOSA-N 2 1 332.473 2.366 20 30 EEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000129116690 462689782 /nfs/dbraw/zinc/68/97/82/462689782.db2.gz CTLFYOJVTZFGQN-AEFFLSMTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000129116690 462689789 /nfs/dbraw/zinc/68/97/89/462689789.db2.gz CTLFYOJVTZFGQN-AEFFLSMTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158725132 463249300 /nfs/dbraw/zinc/24/93/00/463249300.db2.gz ZNXAHJTYEGEUDL-BRWVUGGUSA-N 2 1 332.492 2.134 20 30 EEEDMP C[C@H]1C[N@@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCCO1 ZINC000277533512 463920198 /nfs/dbraw/zinc/92/01/98/463920198.db2.gz XSNSSZQKBVGHBV-HNNXBMFYSA-N 2 1 330.476 2.403 20 30 EEEDMP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261994240 463920676 /nfs/dbraw/zinc/92/06/76/463920676.db2.gz RZYDKMHEFVMWHE-GYZWRVLVSA-N 2 1 338.499 2.220 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(-c2ccccc2)on1 ZINC000264107129 464283949 /nfs/dbraw/zinc/28/39/49/464283949.db2.gz PXYOWUVSAVXCSD-INIZCTEOSA-N 2 1 327.432 2.230 20 30 EEEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000352429764 465527101 /nfs/dbraw/zinc/52/71/01/465527101.db2.gz BXARFBQXSRGOLQ-ZCNNSNEGSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@H]([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000352429764 465527108 /nfs/dbraw/zinc/52/71/08/465527108.db2.gz BXARFBQXSRGOLQ-ZCNNSNEGSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@H]([NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000352429764 465527111 /nfs/dbraw/zinc/52/71/11/465527111.db2.gz BXARFBQXSRGOLQ-ZCNNSNEGSA-N 2 1 339.483 2.227 20 30 EEEDMP O=C(C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330270129 465593564 /nfs/dbraw/zinc/59/35/64/465593564.db2.gz SXCWYISKLZACSK-CQSZACIVSA-N 2 1 331.464 2.172 20 30 EEEDMP O=C(C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330270129 465593571 /nfs/dbraw/zinc/59/35/71/465593571.db2.gz SXCWYISKLZACSK-CQSZACIVSA-N 2 1 331.464 2.172 20 30 EEEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])NCCC(C)C)CC2)oc1C ZINC000304738000 466314246 /nfs/dbraw/zinc/31/42/46/466314246.db2.gz APNUKWTVEDAXCT-UHFFFAOYSA-N 2 1 335.496 2.454 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368141274 466583187 /nfs/dbraw/zinc/58/31/87/466583187.db2.gz DDPNYEOFTIJOST-GOSISDBHSA-N 2 1 325.472 2.356 20 30 EEEDMP N#CCCCOc1cccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000369037602 466712015 /nfs/dbraw/zinc/71/20/15/466712015.db2.gz ZASWGOXVOPHLBD-MJGOQNOKSA-N 2 1 329.444 2.322 20 30 EEEDMP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000424130723 466986173 /nfs/dbraw/zinc/98/61/73/466986173.db2.gz HQVZMOXKMOXXCJ-OALUTQOASA-N 2 1 342.487 2.207 20 30 EEEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845387 469113292 /nfs/dbraw/zinc/11/32/92/469113292.db2.gz JIDAYFHUCXIKGM-APWZRJJASA-N 2 1 343.475 2.037 20 30 EEEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845387 469113296 /nfs/dbraw/zinc/11/32/96/469113296.db2.gz JIDAYFHUCXIKGM-APWZRJJASA-N 2 1 343.475 2.037 20 30 EEEDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(C#N)n2)c2cccs2)CC1 ZINC000602505190 469342000 /nfs/dbraw/zinc/34/20/00/469342000.db2.gz TWVQMJANCRYHEN-KRWDZBQOSA-N 2 1 341.484 2.093 20 30 EEEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000729684183 576672246 /nfs/dbraw/zinc/67/22/46/576672246.db2.gz KQOJWZCXKLHKJF-QGZVFWFLSA-N 2 1 330.476 2.095 20 30 EEEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326652 675790348 /nfs/dbraw/zinc/79/03/48/675790348.db2.gz UVTVVHBTTGCPOD-APWZRJJASA-N 2 1 331.504 2.243 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC000971785637 676790501 /nfs/dbraw/zinc/79/05/01/676790501.db2.gz XLPGWTGTCBNIGE-FUHWJXTLSA-N 2 1 346.450 2.070 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000972400828 678685443 /nfs/dbraw/zinc/68/54/43/678685443.db2.gz BLIOREUNQPDDJN-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972400828 678685446 /nfs/dbraw/zinc/68/54/46/678685446.db2.gz BLIOREUNQPDDJN-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972400828 678685448 /nfs/dbraw/zinc/68/54/48/678685448.db2.gz BLIOREUNQPDDJN-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001024022330 679765240 /nfs/dbraw/zinc/76/52/40/679765240.db2.gz ULXDNKCPHLMZDE-AEFFLSMTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001024022330 679765241 /nfs/dbraw/zinc/76/52/41/679765241.db2.gz ULXDNKCPHLMZDE-AEFFLSMTSA-N 2 1 345.512 2.174 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001024365463 679883140 /nfs/dbraw/zinc/88/31/40/679883140.db2.gz AXZCUVYVZKAQNG-YOEHRIQHSA-N 2 1 346.500 2.185 20 30 EEEDMP CN1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001024365463 679883141 /nfs/dbraw/zinc/88/31/41/679883141.db2.gz AXZCUVYVZKAQNG-YOEHRIQHSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001024666708 681327493 /nfs/dbraw/zinc/32/74/93/681327493.db2.gz SMZYNWXNMQECLA-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001024666708 681327499 /nfs/dbraw/zinc/32/74/99/681327499.db2.gz SMZYNWXNMQECLA-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001024666708 681327503 /nfs/dbraw/zinc/32/75/03/681327503.db2.gz SMZYNWXNMQECLA-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253581 682342575 /nfs/dbraw/zinc/34/25/75/682342575.db2.gz WKTQQCHLVIMMBF-MSOLQXFVSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253581 682342580 /nfs/dbraw/zinc/34/25/80/682342580.db2.gz WKTQQCHLVIMMBF-MSOLQXFVSA-N 2 1 328.460 2.060 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586109 683044404 /nfs/dbraw/zinc/04/44/04/683044404.db2.gz WECKVEHDDLOKNA-IEBWSBKVSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001025627624 683153773 /nfs/dbraw/zinc/15/37/73/683153773.db2.gz AJQBPNDPGFWFEA-FXAWDEMLSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025631235 683169730 /nfs/dbraw/zinc/16/97/30/683169730.db2.gz YSGLFPNICKTMDZ-SJORKVTESA-N 2 1 327.472 2.212 20 30 EEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647025 693746715 /nfs/dbraw/zinc/74/67/15/693746715.db2.gz KPTZARIDCLZDMG-AZUAARDMSA-N 2 1 327.472 2.019 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038366681 684475458 /nfs/dbraw/zinc/47/54/58/684475458.db2.gz IKLYJUCYWOOKEH-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)cc2c1OCC2 ZINC000262402226 685781297 /nfs/dbraw/zinc/78/12/97/685781297.db2.gz VKMKCMOGRNGOGW-OAHLLOKOSA-N 2 1 336.867 2.164 20 30 EEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027699610 694022456 /nfs/dbraw/zinc/02/24/56/694022456.db2.gz GUODZRMWMMKBIR-MRXNPFEDSA-N 2 1 331.460 2.291 20 30 EEEDMP C=C(Cl)CN1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040116601 687134896 /nfs/dbraw/zinc/13/48/96/687134896.db2.gz ZFTAXWBOSDLZFM-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040116601 687134900 /nfs/dbraw/zinc/13/49/00/687134900.db2.gz ZFTAXWBOSDLZFM-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040116601 687134903 /nfs/dbraw/zinc/13/49/03/687134903.db2.gz ZFTAXWBOSDLZFM-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040116601 687134905 /nfs/dbraw/zinc/13/49/05/687134905.db2.gz ZFTAXWBOSDLZFM-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001029920549 688319156 /nfs/dbraw/zinc/31/91/56/688319156.db2.gz HBTLZFFUOMARRD-PMACEKPBSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001029920549 688319159 /nfs/dbraw/zinc/31/91/59/688319159.db2.gz HBTLZFFUOMARRD-PMACEKPBSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001029920549 688319164 /nfs/dbraw/zinc/31/91/64/688319164.db2.gz HBTLZFFUOMARRD-PMACEKPBSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001029920549 688319170 /nfs/dbraw/zinc/31/91/70/688319170.db2.gz HBTLZFFUOMARRD-PMACEKPBSA-N 2 1 339.483 2.065 20 30 EEEDMP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1cnc[nH]1 ZINC000986348852 688521832 /nfs/dbraw/zinc/52/18/32/688521832.db2.gz BNGHWYHUDPRFAV-WBMJQRKESA-N 2 1 343.456 2.055 20 30 EEEDMP N#CCCCN1CC[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272716594 1191977253 /nfs/dbraw/zinc/97/72/53/1191977253.db2.gz IMUPWPIHDGTGCG-LJQANCHMSA-N 2 1 332.492 2.091 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089892784 1193201393 /nfs/dbraw/zinc/20/13/93/1193201393.db2.gz LQRQAQUFSDZWOC-NXOAAHMSSA-N 2 1 349.906 2.004 20 30 EEEDMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482085309 1183314391 /nfs/dbraw/zinc/31/43/91/1183314391.db2.gz OFNRHLNKYMAIMM-MAUKXSAKSA-N 2 1 347.890 2.128 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001482141620 1183457676 /nfs/dbraw/zinc/45/76/76/1183457676.db2.gz FPELVXRQWXECIS-QGTPRVQTSA-N 2 1 349.906 2.426 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769961 1188488531 /nfs/dbraw/zinc/48/85/31/1188488531.db2.gz PPAMZDNLRNNYKO-APWZRJJASA-N 2 1 327.472 2.007 20 30 EEEDMP N#CCCCN1CC[C@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272672180 1191013115 /nfs/dbraw/zinc/01/31/15/1191013115.db2.gz FSENSJFYENUSPU-IBGZPJMESA-N 2 1 337.427 2.291 20 30 EEEDMP N#CCCCN1CC[C@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272672180 1191013118 /nfs/dbraw/zinc/01/31/18/1191013118.db2.gz FSENSJFYENUSPU-IBGZPJMESA-N 2 1 337.427 2.291 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033837299 1195355820 /nfs/dbraw/zinc/35/58/20/1195355820.db2.gz HACOYHAASIQDRI-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033837299 1195355822 /nfs/dbraw/zinc/35/58/22/1195355822.db2.gz HACOYHAASIQDRI-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210984 1195949007 /nfs/dbraw/zinc/94/90/07/1195949007.db2.gz JVKHJQWVIWPJHJ-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210984 1195949010 /nfs/dbraw/zinc/94/90/10/1195949010.db2.gz JVKHJQWVIWPJHJ-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210984 1195949016 /nfs/dbraw/zinc/94/90/16/1195949016.db2.gz JVKHJQWVIWPJHJ-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CCC(=O)N(CCCC#N)C3)CC2)C1 ZINC001273143976 1197012572 /nfs/dbraw/zinc/01/25/72/1197012572.db2.gz NAEOVDFPRWJHQN-GOSISDBHSA-N 2 1 346.519 2.337 20 30 EEEDMP C=CCC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001202539575 1198832093 /nfs/dbraw/zinc/83/20/93/1198832093.db2.gz OHTKODGBKMTRGH-UHFFFAOYSA-N 2 1 329.488 2.318 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132142162 1199375932 /nfs/dbraw/zinc/37/59/32/1199375932.db2.gz YVUGPWNEGLECNI-DLBZAZTESA-N 2 1 330.476 2.453 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132311801 1199562881 /nfs/dbraw/zinc/56/28/81/1199562881.db2.gz YJOLWTJHZULLBN-IEBWSBKVSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132311801 1199562882 /nfs/dbraw/zinc/56/28/82/1199562882.db2.gz YJOLWTJHZULLBN-IEBWSBKVSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132311801 1199562886 /nfs/dbraw/zinc/56/28/86/1199562886.db2.gz YJOLWTJHZULLBN-IEBWSBKVSA-N 2 1 329.488 2.316 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001132311801 1199562888 /nfs/dbraw/zinc/56/28/88/1199562888.db2.gz YJOLWTJHZULLBN-IEBWSBKVSA-N 2 1 329.488 2.316 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132377707 1199639469 /nfs/dbraw/zinc/63/94/69/1199639469.db2.gz ZPBFVOAHTPNJLC-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132377707 1199639472 /nfs/dbraw/zinc/63/94/72/1199639472.db2.gz ZPBFVOAHTPNJLC-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132441473 1199726281 /nfs/dbraw/zinc/72/62/81/1199726281.db2.gz PRSMLBPWXLDEDI-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132441473 1199726284 /nfs/dbraw/zinc/72/62/84/1199726284.db2.gz PRSMLBPWXLDEDI-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132441473 1199726290 /nfs/dbraw/zinc/72/62/90/1199726290.db2.gz PRSMLBPWXLDEDI-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001132933114 1200210030 /nfs/dbraw/zinc/21/00/30/1200210030.db2.gz OOHIWUAKDYASNE-HZPDHXFCSA-N 2 1 348.491 2.390 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001132986868 1200279416 /nfs/dbraw/zinc/27/94/16/1200279416.db2.gz ORDIUGFIWJNWEM-CVEARBPZSA-N 2 1 330.476 2.022 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC000887986480 1204527070 /nfs/dbraw/zinc/52/70/70/1204527070.db2.gz ZRYCXLCHIWDNID-DLBZAZTESA-N 2 1 346.475 2.059 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC000887986480 1204527072 /nfs/dbraw/zinc/52/70/72/1204527072.db2.gz ZRYCXLCHIWDNID-DLBZAZTESA-N 2 1 346.475 2.059 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857962 1204928129 /nfs/dbraw/zinc/92/81/29/1204928129.db2.gz YLAZTRWPXHQKKF-QRVBRYPASA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110857962 1204928131 /nfs/dbraw/zinc/92/81/31/1204928131.db2.gz YLAZTRWPXHQKKF-QRVBRYPASA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001110857962 1204928134 /nfs/dbraw/zinc/92/81/34/1204928134.db2.gz YLAZTRWPXHQKKF-QRVBRYPASA-N 2 1 331.504 2.386 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1cccc(C#N)c1)C2 ZINC001274890610 1205201469 /nfs/dbraw/zinc/20/14/69/1205201469.db2.gz KXHSVQSXZDRGQD-UXHICEINSA-N 2 1 326.488 2.059 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CCN(Cc2ccon2)CC3)cc1C#N ZINC001276071394 1205760592 /nfs/dbraw/zinc/76/05/92/1205760592.db2.gz VQUNBGGGVAMSCB-UHFFFAOYSA-N 2 1 339.443 2.373 20 30 EEEDMP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccon2)CC3)cc1C#N ZINC001276071394 1205760594 /nfs/dbraw/zinc/76/05/94/1205760594.db2.gz VQUNBGGGVAMSCB-UHFFFAOYSA-N 2 1 339.443 2.373 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccon2)CC3)cc1C#N ZINC001276071394 1205760596 /nfs/dbraw/zinc/76/05/96/1205760596.db2.gz VQUNBGGGVAMSCB-UHFFFAOYSA-N 2 1 339.443 2.373 20 30 EEEDMP CCCCNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000303879117 1213917985 /nfs/dbraw/zinc/91/79/85/1213917985.db2.gz GMDGPENKWOFNBI-GOSISDBHSA-N 2 1 331.508 2.070 20 30 EEEDMP CCCCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000303879117 1213917989 /nfs/dbraw/zinc/91/79/89/1213917989.db2.gz GMDGPENKWOFNBI-GOSISDBHSA-N 2 1 331.508 2.070 20 30 EEEDMP CCCCNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000303879117 1213917994 /nfs/dbraw/zinc/91/79/94/1213917994.db2.gz GMDGPENKWOFNBI-GOSISDBHSA-N 2 1 331.508 2.070 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)CC1 ZINC000957592228 1215237449 /nfs/dbraw/zinc/23/74/49/1215237449.db2.gz QZFDWTCLIFOKDC-LJQANCHMSA-N 2 1 345.531 2.446 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NCCCCn2cc[nH+]c2C)cc1OC ZINC000304764504 1216104947 /nfs/dbraw/zinc/10/49/47/1216104947.db2.gz YBJGVFQWJHUDRF-UHFFFAOYSA-N 2 1 345.447 2.093 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961226486 1217097559 /nfs/dbraw/zinc/09/75/59/1217097559.db2.gz HCPBONQIRHPIIM-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961377982 1217165400 /nfs/dbraw/zinc/16/54/00/1217165400.db2.gz JJRATWNIPVTAPF-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383286 1217580243 /nfs/dbraw/zinc/58/02/43/1217580243.db2.gz MXDXPQIZFXASAQ-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963390113 1217587182 /nfs/dbraw/zinc/58/71/82/1217587182.db2.gz JINUFOAHDAMZOU-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000963420661 1217616931 /nfs/dbraw/zinc/61/69/31/1217616931.db2.gz LGFCEHHPWALZQR-TVPLGVNVSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425185 1220501385 /nfs/dbraw/zinc/50/13/85/1220501385.db2.gz YHFVYEONOCINAK-XLIONFOSSA-N 2 1 341.499 2.254 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000968850564 1221621673 /nfs/dbraw/zinc/62/16/73/1221621673.db2.gz DBNGOCYRFNMSSJ-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887990 1221647322 /nfs/dbraw/zinc/64/73/22/1221647322.db2.gz OWSXCVMQHSCNQI-DLBZAZTESA-N 2 1 328.460 2.145 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887990 1221647324 /nfs/dbraw/zinc/64/73/24/1221647324.db2.gz OWSXCVMQHSCNQI-DLBZAZTESA-N 2 1 328.460 2.145 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001016733385 1226824697 /nfs/dbraw/zinc/82/46/97/1226824697.db2.gz LZCAJISRFDERJB-GOSISDBHSA-N 2 1 342.487 2.309 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016791635 1226882269 /nfs/dbraw/zinc/88/22/69/1226882269.db2.gz ULLQFQUEYHBONJ-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001016792746 1226882446 /nfs/dbraw/zinc/88/24/46/1226882446.db2.gz ACPQPPQTBGRJEF-AEFFLSMTSA-N 2 1 342.487 2.301 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001016818370 1226901396 /nfs/dbraw/zinc/90/13/96/1226901396.db2.gz CRPZQTGHWFGCTN-SJLPKXTDSA-N 2 1 342.487 2.301 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416531 1229084370 /nfs/dbraw/zinc/08/43/70/1229084370.db2.gz OXCDKEGTBGZOKZ-KSZLIROESA-N 2 1 347.890 2.275 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167106 1230389884 /nfs/dbraw/zinc/38/98/84/1230389884.db2.gz MBTREATVFVWWEV-IBGZPJMESA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040208673 1231104571 /nfs/dbraw/zinc/10/45/71/1231104571.db2.gz AVIUIKKRLXOMKR-YLJYHZDGSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040208673 1231104575 /nfs/dbraw/zinc/10/45/75/1231104575.db2.gz AVIUIKKRLXOMKR-YLJYHZDGSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040232777 1231120336 /nfs/dbraw/zinc/12/03/36/1231120336.db2.gz UEGBKAAHMAUOQU-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040232777 1231120339 /nfs/dbraw/zinc/12/03/39/1231120339.db2.gz UEGBKAAHMAUOQU-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040232777 1231120344 /nfs/dbraw/zinc/12/03/44/1231120344.db2.gz UEGBKAAHMAUOQU-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040242718 1231128032 /nfs/dbraw/zinc/12/80/32/1231128032.db2.gz ZZFNMTASECDMAG-PZJWPPBQSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040242718 1231128033 /nfs/dbraw/zinc/12/80/33/1231128033.db2.gz ZZFNMTASECDMAG-PZJWPPBQSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040242718 1231128036 /nfs/dbraw/zinc/12/80/36/1231128036.db2.gz ZZFNMTASECDMAG-PZJWPPBQSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040479182 1231254030 /nfs/dbraw/zinc/25/40/30/1231254030.db2.gz OJYQGMPYJSTWGL-OAQYLSRUSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356830 1231518233 /nfs/dbraw/zinc/51/82/33/1231518233.db2.gz BMCXJQMKXFSKRU-WBVHZDCISA-N 2 1 325.884 2.004 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041607675 1231621967 /nfs/dbraw/zinc/62/19/67/1231621967.db2.gz ZNITVZPHIRJAQW-IBGZPJMESA-N 2 1 331.460 2.455 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041743010 1231671007 /nfs/dbraw/zinc/67/10/07/1231671007.db2.gz ICGPSXNCYLOVJA-OAQYLSRUSA-N 2 1 339.483 2.310 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042083006 1231875897 /nfs/dbraw/zinc/87/58/97/1231875897.db2.gz HRNDUWUGYHZSFW-NVXWUHKLSA-N 2 1 345.512 2.369 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042083006 1231875900 /nfs/dbraw/zinc/87/59/00/1231875900.db2.gz HRNDUWUGYHZSFW-NVXWUHKLSA-N 2 1 345.512 2.369 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCC(C)C)[C@H]3C2)CC1 ZINC001042367937 1232050436 /nfs/dbraw/zinc/05/04/36/1232050436.db2.gz MKDVBFXRTGGLBF-QUCCMNQESA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943528 1234202585 /nfs/dbraw/zinc/20/25/85/1234202585.db2.gz KGYONYOKEYXGFG-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001045943811 1234203518 /nfs/dbraw/zinc/20/35/18/1234203518.db2.gz PJHOSGLUWMQFIH-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943811 1234203522 /nfs/dbraw/zinc/20/35/22/1234203522.db2.gz PJHOSGLUWMQFIH-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943811 1234203527 /nfs/dbraw/zinc/20/35/27/1234203527.db2.gz PJHOSGLUWMQFIH-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045944183 1234204137 /nfs/dbraw/zinc/20/41/37/1234204137.db2.gz ZHHDOKNRBKTTRE-LJQANCHMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045947535 1234210162 /nfs/dbraw/zinc/21/01/62/1234210162.db2.gz GNWPLYXSFVOAJG-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045947535 1234210164 /nfs/dbraw/zinc/21/01/64/1234210164.db2.gz GNWPLYXSFVOAJG-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045947535 1234210166 /nfs/dbraw/zinc/21/01/66/1234210166.db2.gz GNWPLYXSFVOAJG-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950790 1234216989 /nfs/dbraw/zinc/21/69/89/1234216989.db2.gz LUSOQRVPKPUGGV-HXUWFJFHSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045951249 1234217657 /nfs/dbraw/zinc/21/76/57/1234217657.db2.gz BZPAULZCLMHXLJ-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263501 1235774479 /nfs/dbraw/zinc/77/44/79/1235774479.db2.gz HOOBPVXEAYBVIW-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001000151511 1240002061 /nfs/dbraw/zinc/00/20/61/1240002061.db2.gz XJRNJRTWQIPGSU-GOSISDBHSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049524897 1241245175 /nfs/dbraw/zinc/24/51/75/1241245175.db2.gz OKHPRSRSRGUNED-BRWVUGGUSA-N 2 1 328.460 2.402 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049524897 1241245184 /nfs/dbraw/zinc/24/51/84/1241245184.db2.gz OKHPRSRSRGUNED-BRWVUGGUSA-N 2 1 328.460 2.402 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049524910 1241246461 /nfs/dbraw/zinc/24/64/61/1241246461.db2.gz OQHUJRMYYWPWLH-GUDVDZBRSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049524910 1241246468 /nfs/dbraw/zinc/24/64/68/1241246468.db2.gz OQHUJRMYYWPWLH-GUDVDZBRSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049524910 1241246488 /nfs/dbraw/zinc/24/64/88/1241246488.db2.gz OQHUJRMYYWPWLH-GUDVDZBRSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761149 1242116379 /nfs/dbraw/zinc/11/63/79/1242116379.db2.gz FXZFBZWVCKJYKX-QZTJIDSGSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761149 1242116394 /nfs/dbraw/zinc/11/63/94/1242116394.db2.gz FXZFBZWVCKJYKX-QZTJIDSGSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768680 1242136991 /nfs/dbraw/zinc/13/69/91/1242136991.db2.gz YMOZZFCMVYTGNK-QRVBRYPASA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049768680 1242136996 /nfs/dbraw/zinc/13/69/96/1242136996.db2.gz YMOZZFCMVYTGNK-QRVBRYPASA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049768680 1242137000 /nfs/dbraw/zinc/13/70/00/1242137000.db2.gz YMOZZFCMVYTGNK-QRVBRYPASA-N 2 1 331.504 2.338 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC2CCC2)CC1 ZINC001049909420 1242656732 /nfs/dbraw/zinc/65/67/32/1242656732.db2.gz AXGQHWLZONKQLV-VQTJNVASSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049909814 1242659133 /nfs/dbraw/zinc/65/91/33/1242659133.db2.gz CRHMILJRYRVYNN-WOJBJXKFSA-N 2 1 339.483 2.450 20 30 EEEDMP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001051164694 1245070555 /nfs/dbraw/zinc/07/05/55/1245070555.db2.gz WGBZGOXRNIRWNL-IBGZPJMESA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001051164694 1245070560 /nfs/dbraw/zinc/07/05/60/1245070560.db2.gz WGBZGOXRNIRWNL-IBGZPJMESA-N 2 1 345.487 2.145 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053027610 1245706387 /nfs/dbraw/zinc/70/63/87/1245706387.db2.gz FKUAVYBORIJJST-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027610 1245706394 /nfs/dbraw/zinc/70/63/94/1245706394.db2.gz FKUAVYBORIJJST-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027610 1245706400 /nfs/dbraw/zinc/70/64/00/1245706400.db2.gz FKUAVYBORIJJST-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053035083 1245730952 /nfs/dbraw/zinc/73/09/52/1245730952.db2.gz ZNVPKSUUHAOXHZ-RBUKOAKNSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053035083 1245730957 /nfs/dbraw/zinc/73/09/57/1245730957.db2.gz ZNVPKSUUHAOXHZ-RBUKOAKNSA-N 2 1 342.487 2.165 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053053855 1245781107 /nfs/dbraw/zinc/78/11/07/1245781107.db2.gz DLLYVIZLQGNQAE-ROUUACIJSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053053855 1245781111 /nfs/dbraw/zinc/78/11/11/1245781111.db2.gz DLLYVIZLQGNQAE-ROUUACIJSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)O2 ZINC001053701399 1246678492 /nfs/dbraw/zinc/67/84/92/1246678492.db2.gz USYUYMYWUMPVJN-QZTJIDSGSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052419496 1247237136 /nfs/dbraw/zinc/23/71/36/1247237136.db2.gz NRBVWLXAUSMIIK-INIZCTEOSA-N 2 1 333.501 2.417 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547425 1254317478 /nfs/dbraw/zinc/31/74/78/1254317478.db2.gz UMEJKTYFDLCHER-GDBMZVCRSA-N 2 1 333.501 2.416 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547425 1254317487 /nfs/dbraw/zinc/31/74/87/1254317487.db2.gz UMEJKTYFDLCHER-GDBMZVCRSA-N 2 1 333.501 2.416 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071937512 1254830843 /nfs/dbraw/zinc/83/08/43/1254830843.db2.gz CKXGSYROJHOAAG-NVXWUHKLSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071937512 1254830861 /nfs/dbraw/zinc/83/08/61/1254830861.db2.gz CKXGSYROJHOAAG-NVXWUHKLSA-N 2 1 339.443 2.426 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098459335 1257697600 /nfs/dbraw/zinc/69/76/00/1257697600.db2.gz JIYKZUZUABBCPC-QRVBRYPASA-N 2 1 325.456 2.107 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098459335 1257697606 /nfs/dbraw/zinc/69/76/06/1257697606.db2.gz JIYKZUZUABBCPC-QRVBRYPASA-N 2 1 325.456 2.107 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001101039331 1259602015 /nfs/dbraw/zinc/60/20/15/1259602015.db2.gz HGWXQDKUMPYGOF-UHFFFAOYSA-N 2 1 346.450 2.022 20 30 EEEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976119 1287225362 /nfs/dbraw/zinc/22/53/62/1287225362.db2.gz NPINFJRTCWZOAE-SFHVURJKSA-N 2 1 348.491 2.145 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644719 1280992271 /nfs/dbraw/zinc/99/22/71/1280992271.db2.gz KQYNBKMDVDPKGY-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001190644719 1280992272 /nfs/dbraw/zinc/99/22/72/1280992272.db2.gz KQYNBKMDVDPKGY-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001190644719 1280992274 /nfs/dbraw/zinc/99/22/74/1280992274.db2.gz KQYNBKMDVDPKGY-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCCCC)CC2)CC1 ZINC001198236693 1285048534 /nfs/dbraw/zinc/04/85/34/1285048534.db2.gz UYUVQYBRYXFRIK-UHFFFAOYSA-N 2 1 333.520 2.446 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071974136 1295057532 /nfs/dbraw/zinc/05/75/32/1295057532.db2.gz KYUDSRPIBKWNGY-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095256 1295236324 /nfs/dbraw/zinc/23/63/24/1295236324.db2.gz GXDHCWNOPNLAFE-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738033 1296084294 /nfs/dbraw/zinc/08/42/94/1296084294.db2.gz CDVODAJDYNDLSO-GOSISDBHSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001072738033 1296084305 /nfs/dbraw/zinc/08/43/05/1296084305.db2.gz CDVODAJDYNDLSO-GOSISDBHSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001072738033 1296084311 /nfs/dbraw/zinc/08/43/11/1296084311.db2.gz CDVODAJDYNDLSO-GOSISDBHSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC001114355161 1296426442 /nfs/dbraw/zinc/42/64/42/1296426442.db2.gz GZEKWRINBPZKII-ZSHCYNCHSA-N 2 1 333.501 2.436 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001073457189 1297088511 /nfs/dbraw/zinc/08/85/11/1297088511.db2.gz FHPBBTDQBVTNDD-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001073457189 1297088526 /nfs/dbraw/zinc/08/85/26/1297088526.db2.gz FHPBBTDQBVTNDD-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001073457189 1297088535 /nfs/dbraw/zinc/08/85/35/1297088535.db2.gz FHPBBTDQBVTNDD-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001073457189 1297088550 /nfs/dbraw/zinc/08/85/50/1297088550.db2.gz FHPBBTDQBVTNDD-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001073457467 1297090774 /nfs/dbraw/zinc/09/07/74/1297090774.db2.gz RUAQAKIYNOBTRN-UHFFFAOYSA-N 2 1 325.884 2.149 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001073457467 1297090790 /nfs/dbraw/zinc/09/07/90/1297090790.db2.gz RUAQAKIYNOBTRN-UHFFFAOYSA-N 2 1 325.884 2.149 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099556392 1299219460 /nfs/dbraw/zinc/21/94/60/1299219460.db2.gz KCNLELXEBXRAML-YVSFHVDLSA-N 2 1 339.911 2.248 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556392 1299219474 /nfs/dbraw/zinc/21/94/74/1299219474.db2.gz KCNLELXEBXRAML-YVSFHVDLSA-N 2 1 339.911 2.248 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556392 1299219487 /nfs/dbraw/zinc/21/94/87/1299219487.db2.gz KCNLELXEBXRAML-YVSFHVDLSA-N 2 1 339.911 2.248 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001223374549 1300107204 /nfs/dbraw/zinc/10/72/04/1300107204.db2.gz PMQXKJRKBOCDGR-OAHLLOKOSA-N 2 1 333.879 2.247 20 30 EEEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001223578411 1300180167 /nfs/dbraw/zinc/18/01/67/1300180167.db2.gz WPRTZZPEPCRZLX-RBUKOAKNSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCCCC)[C@H]3C2)CC1 ZINC001224228207 1300498021 /nfs/dbraw/zinc/49/80/21/1300498021.db2.gz WZWDPFPRFPHODG-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)[C@H](C1CC1)[NH+](C)C)Cc1cccnc1 ZINC001230778633 1303451219 /nfs/dbraw/zinc/45/12/19/1303451219.db2.gz UTRIDYXISKVIQX-IBGZPJMESA-N 2 1 344.503 2.306 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1cccnc1 ZINC001230796813 1303463462 /nfs/dbraw/zinc/46/34/62/1303463462.db2.gz OFNSLNFPUMOBDV-UHFFFAOYSA-N 2 1 342.487 2.204 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120432197 1309534838 /nfs/dbraw/zinc/53/48/38/1309534838.db2.gz YVEUDKLRWCNYLT-OALUTQOASA-N 2 1 342.487 2.308 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120432197 1309534843 /nfs/dbraw/zinc/53/48/43/1309534843.db2.gz YVEUDKLRWCNYLT-OALUTQOASA-N 2 1 342.487 2.308 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121347041 1309988370 /nfs/dbraw/zinc/98/83/70/1309988370.db2.gz DODMJUKXZSJRPI-WZXTXQKWSA-N 2 1 331.504 2.147 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001246670192 1310375460 /nfs/dbraw/zinc/37/54/60/1310375460.db2.gz OSGUKYMLFKRRKB-NWANDNLSSA-N 2 1 334.382 2.358 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001246670192 1310375468 /nfs/dbraw/zinc/37/54/68/1310375468.db2.gz OSGUKYMLFKRRKB-NWANDNLSSA-N 2 1 334.382 2.358 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001150580739 1316305783 /nfs/dbraw/zinc/30/57/83/1316305783.db2.gz ZIMRHUCWNSZGKI-MOPGFXCFSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001150580739 1316305789 /nfs/dbraw/zinc/30/57/89/1316305789.db2.gz ZIMRHUCWNSZGKI-MOPGFXCFSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001150580739 1316305794 /nfs/dbraw/zinc/30/57/94/1316305794.db2.gz ZIMRHUCWNSZGKI-MOPGFXCFSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150780054 1316371874 /nfs/dbraw/zinc/37/18/74/1316371874.db2.gz YOCRUIGZYUYYBP-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001155249695 1317522433 /nfs/dbraw/zinc/52/24/33/1317522433.db2.gz SHZWPHBMDSDRFD-OAHLLOKOSA-N 2 1 334.464 2.287 20 30 EEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001155249695 1317522439 /nfs/dbraw/zinc/52/24/39/1317522439.db2.gz SHZWPHBMDSDRFD-OAHLLOKOSA-N 2 1 334.464 2.287 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118248 1318420189 /nfs/dbraw/zinc/42/01/89/1318420189.db2.gz AHSLJJNQNVRQJX-QZTJIDSGSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001256066871 1318632183 /nfs/dbraw/zinc/63/21/83/1318632183.db2.gz VNJLGIBBSHZLHO-KRWDZBQOSA-N 2 1 327.472 2.108 20 30 EEEDMP N#Cc1cccc(C[NH+]2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)n1 ZINC001278949448 1318795951 /nfs/dbraw/zinc/79/59/51/1318795951.db2.gz RSCFIIAHFHHRJF-UHFFFAOYSA-N 2 1 349.438 2.152 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001157887403 1318918138 /nfs/dbraw/zinc/91/81/38/1318918138.db2.gz VAILRDGTKSRYSC-GOSISDBHSA-N 2 1 346.450 2.166 20 30 EEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2cncc2C1 ZINC001158149257 1319044743 /nfs/dbraw/zinc/04/47/43/1319044743.db2.gz ZWKOHUIRGODAAP-IAGOWNOFSA-N 2 1 330.476 2.335 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001258727119 1319327694 /nfs/dbraw/zinc/32/76/94/1319327694.db2.gz FMJNLNYIXMNMBH-AEFFLSMTSA-N 2 1 347.507 2.181 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001258727119 1319327703 /nfs/dbraw/zinc/32/77/03/1319327703.db2.gz FMJNLNYIXMNMBH-AEFFLSMTSA-N 2 1 347.507 2.181 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001159329159 1319741944 /nfs/dbraw/zinc/74/19/44/1319741944.db2.gz ZXBQNGJNMIQLHP-GOSISDBHSA-N 2 1 346.450 2.168 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc2ccccc2o1 ZINC001160197949 1320096944 /nfs/dbraw/zinc/09/69/44/1320096944.db2.gz PEPVLFAAVHWCLY-SFHVURJKSA-N 2 1 339.439 2.126 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc2ccccc2o1 ZINC001160197949 1320096949 /nfs/dbraw/zinc/09/69/49/1320096949.db2.gz PEPVLFAAVHWCLY-SFHVURJKSA-N 2 1 339.439 2.126 20 30 EEEDMP C=CCn1ccc2c1nc[nH+]c2NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163268801 1321082778 /nfs/dbraw/zinc/08/27/78/1321082778.db2.gz FVZHFJSWLUQYSX-RDTXWAMCSA-N 2 1 327.432 2.188 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1)CC(C)(C)C ZINC001166744369 1321779629 /nfs/dbraw/zinc/77/96/29/1321779629.db2.gz SSTYZUNDZWKLBO-UHFFFAOYSA-N 2 1 348.466 2.271 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205290592 1322344381 /nfs/dbraw/zinc/34/43/81/1322344381.db2.gz LOKMSQUJKRJRIW-LJQANCHMSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001206307290 1323451838 /nfs/dbraw/zinc/45/18/38/1323451838.db2.gz DUVSZJRGSQZSFE-UHFFFAOYSA-N 2 1 329.488 2.175 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515361 1324953967 /nfs/dbraw/zinc/95/39/67/1324953967.db2.gz WDRKYWPSWUETAQ-QZTJIDSGSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515361 1324953969 /nfs/dbraw/zinc/95/39/69/1324953969.db2.gz WDRKYWPSWUETAQ-QZTJIDSGSA-N 2 1 339.524 2.116 20 30 EEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH+]ccc1N)[C@H]2CC ZINC001209725805 1325021711 /nfs/dbraw/zinc/02/17/11/1325021711.db2.gz LUWKHJLPPGDDOA-HKUYNNGSSA-N 2 1 328.460 2.416 20 30 EEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1c[nH+]ccc1N)[C@H]2CC ZINC001209725805 1325021716 /nfs/dbraw/zinc/02/17/16/1325021716.db2.gz LUWKHJLPPGDDOA-HKUYNNGSSA-N 2 1 328.460 2.416 20 30 EEEDMP N#Cc1cc2cccnc2nc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210261949 1325218883 /nfs/dbraw/zinc/21/88/83/1325218883.db2.gz KQBKKGOHHJXGQH-UHFFFAOYSA-N 2 1 331.383 2.050 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135029868 1367997809 /nfs/dbraw/zinc/99/78/09/1367997809.db2.gz UCQXTCVZDWBZQR-GJZGRUSLSA-N 2 1 339.443 2.136 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1)C1CCC1 ZINC001201065963 1368775500 /nfs/dbraw/zinc/77/55/00/1368775500.db2.gz DBEMWSZWMVVEJQ-UHFFFAOYSA-N 2 1 339.483 2.103 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001115116452 1371526757 /nfs/dbraw/zinc/52/67/57/1371526757.db2.gz MSXNIXVZQZPOJU-MANSERQUSA-N 2 1 327.472 2.302 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001115116452 1371526761 /nfs/dbraw/zinc/52/67/61/1371526761.db2.gz MSXNIXVZQZPOJU-MANSERQUSA-N 2 1 327.472 2.302 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001115116452 1371526765 /nfs/dbraw/zinc/52/67/65/1371526765.db2.gz MSXNIXVZQZPOJU-MANSERQUSA-N 2 1 327.472 2.302 20 30 EEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCCCC1 ZINC001115730071 1371698629 /nfs/dbraw/zinc/69/86/29/1371698629.db2.gz CGDWBVIVQTUJQS-MRXNPFEDSA-N 2 1 330.476 2.349 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000838586910 1372853254 /nfs/dbraw/zinc/85/32/54/1372853254.db2.gz JEFJFCPINWBBNU-HKUYNNGSSA-N 2 1 344.503 2.241 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001368474201 1374416521 /nfs/dbraw/zinc/41/65/21/1374416521.db2.gz FRESLVKXNXUSLW-SFHVURJKSA-N 2 1 340.471 2.171 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001390055163 1388421632 /nfs/dbraw/zinc/42/16/32/1388421632.db2.gz DJMNDYCNKJQHBY-YOEHRIQHSA-N 2 1 348.516 2.288 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001379119425 1380541373 /nfs/dbraw/zinc/54/13/73/1380541373.db2.gz UKCYAHRMXAQHEK-SFHVURJKSA-N 2 1 348.466 2.174 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001391352837 1389302178 /nfs/dbraw/zinc/30/21/78/1389302178.db2.gz JHDHSOYGTHDNMP-LJQANCHMSA-N 2 1 342.487 2.180 20 30 EEEDMP C=C(Br)C[NH2+]CC1(NC(=O)C[N@H+](C)CCC)CCCC1 ZINC001391777249 1389592322 /nfs/dbraw/zinc/59/23/22/1389592322.db2.gz XUZHMKNTFJNAJH-UHFFFAOYSA-N 2 1 346.313 2.255 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001755427780 1407444127 /nfs/dbraw/zinc/44/41/27/1407444127.db2.gz JYJIPGUIZSDYIT-CADBVGFASA-N 2 1 333.520 2.369 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001755427780 1407444131 /nfs/dbraw/zinc/44/41/31/1407444131.db2.gz JYJIPGUIZSDYIT-CADBVGFASA-N 2 1 333.520 2.369 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC/C=C/CCC)C2)CC1 ZINC001754587187 1406933573 /nfs/dbraw/zinc/93/35/73/1406933573.db2.gz FEEAAIWQGIWZDS-BQYQJAHWSA-N 2 1 331.504 2.221 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001755028296 1407053303 /nfs/dbraw/zinc/05/33/03/1407053303.db2.gz CZTBEKHBUOLFAB-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001755028296 1407053325 /nfs/dbraw/zinc/05/33/25/1407053325.db2.gz CZTBEKHBUOLFAB-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)CCC[NH+]1CCCCC1)CO2 ZINC001755065631 1407075327 /nfs/dbraw/zinc/07/53/27/1407075327.db2.gz OVCUWHDFFALJQQ-SFHVURJKSA-N 2 1 349.519 2.178 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001755427780 1407444115 /nfs/dbraw/zinc/44/41/15/1407444115.db2.gz JYJIPGUIZSDYIT-CADBVGFASA-N 2 1 333.520 2.369 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]21 ZINC001755708361 1407761676 /nfs/dbraw/zinc/76/16/76/1407761676.db2.gz LWKRFMXIDOVWID-GUDVDZBRSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087305952 761553489 /nfs/dbraw/zinc/55/34/89/761553489.db2.gz AZDWOFABIGMJRW-HOJAQTOUSA-N 2 1 345.531 2.347 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@@H]21 ZINC001087313902 761597229 /nfs/dbraw/zinc/59/72/29/761597229.db2.gz BQHFFKPYFABCNM-BRWVUGGUSA-N 2 1 331.504 2.264 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104753210 765198117 /nfs/dbraw/zinc/19/81/17/765198117.db2.gz WZMTXMLSOSPQKX-QZTJIDSGSA-N 2 1 344.503 2.494 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942556292 782724475 /nfs/dbraw/zinc/72/44/75/782724475.db2.gz YTYBAXXTMUUSPH-HIFRSBDPSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942556292 782724482 /nfs/dbraw/zinc/72/44/82/782724482.db2.gz YTYBAXXTMUUSPH-HIFRSBDPSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100956 769711213 /nfs/dbraw/zinc/71/12/13/769711213.db2.gz ROUOKBKGCMNRKU-KFWWJZLASA-N 2 1 347.425 2.414 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001112529929 770345728 /nfs/dbraw/zinc/34/57/28/770345728.db2.gz VWHLKCMIBRWXNP-HFTRVMKXSA-N 2 1 339.911 2.299 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089560503 770357225 /nfs/dbraw/zinc/35/72/25/770357225.db2.gz ZMXMRCALBBWCLG-CABCVRRESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560503 770357236 /nfs/dbraw/zinc/35/72/36/770357236.db2.gz ZMXMRCALBBWCLG-CABCVRRESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560503 770357248 /nfs/dbraw/zinc/35/72/48/770357248.db2.gz ZMXMRCALBBWCLG-CABCVRRESA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000995260548 782893711 /nfs/dbraw/zinc/89/37/11/782893711.db2.gz RQJNFAADRIWNDH-RBUKOAKNSA-N 2 1 342.487 2.012 20 30 EEEDMP C=CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000995260548 782893719 /nfs/dbraw/zinc/89/37/19/782893719.db2.gz RQJNFAADRIWNDH-RBUKOAKNSA-N 2 1 342.487 2.012 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000995260548 782893727 /nfs/dbraw/zinc/89/37/27/782893727.db2.gz RQJNFAADRIWNDH-RBUKOAKNSA-N 2 1 342.487 2.012 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001106909719 774757450 /nfs/dbraw/zinc/75/74/50/774757450.db2.gz KZMKKNVPOLFUAG-HUUCEWRRSA-N 2 1 348.516 2.146 20 30 EEEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000997587555 790357633 /nfs/dbraw/zinc/35/76/33/790357633.db2.gz VEUGRXWVHQONHV-PKOBYXMFSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001089820829 776963621 /nfs/dbraw/zinc/96/36/21/776963621.db2.gz PBULAVMPDSUIBY-XSLAGTTESA-N 2 1 331.504 2.216 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089837818 777527393 /nfs/dbraw/zinc/52/73/93/777527393.db2.gz GKGASSXMPMWNIY-RDGPPVDQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089837818 777527397 /nfs/dbraw/zinc/52/73/97/777527397.db2.gz GKGASSXMPMWNIY-RDGPPVDQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981833940 778304952 /nfs/dbraw/zinc/30/49/52/778304952.db2.gz NONMFXICMOTUJG-KRWDZBQOSA-N 2 1 330.476 2.254 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981833940 778304957 /nfs/dbraw/zinc/30/49/57/778304957.db2.gz NONMFXICMOTUJG-KRWDZBQOSA-N 2 1 330.476 2.254 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000982013056 778864637 /nfs/dbraw/zinc/86/46/37/778864637.db2.gz JNDMGRNPYOXBRM-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000982013056 778864641 /nfs/dbraw/zinc/86/46/41/778864641.db2.gz JNDMGRNPYOXBRM-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@]2(C)C1 ZINC000982321292 779714404 /nfs/dbraw/zinc/71/44/04/779714404.db2.gz JEWJEBAEHLCKES-OYRHEFFESA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@]2(C)C1 ZINC000982321292 779714410 /nfs/dbraw/zinc/71/44/10/779714410.db2.gz JEWJEBAEHLCKES-OYRHEFFESA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@]2(C)C1 ZINC000982321292 779714412 /nfs/dbraw/zinc/71/44/12/779714412.db2.gz JEWJEBAEHLCKES-OYRHEFFESA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997726321 790884257 /nfs/dbraw/zinc/88/42/57/790884257.db2.gz QMRXNSYKCSUNPC-PKOBYXMFSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942101080 781723484 /nfs/dbraw/zinc/72/34/84/781723484.db2.gz QIHCBDREBJYNTF-GOEBONIOSA-N 2 1 333.501 2.273 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001088316227 783486037 /nfs/dbraw/zinc/48/60/37/783486037.db2.gz URAGLIFJMQVGCJ-DLBZAZTESA-N 2 1 330.476 2.391 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035188604 784069231 /nfs/dbraw/zinc/06/92/31/784069231.db2.gz GNGIHJIPUPVSCO-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035188604 784069234 /nfs/dbraw/zinc/06/92/34/784069234.db2.gz GNGIHJIPUPVSCO-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035188604 784069239 /nfs/dbraw/zinc/06/92/39/784069239.db2.gz GNGIHJIPUPVSCO-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135676608 784211311 /nfs/dbraw/zinc/21/13/11/784211311.db2.gz ZEWAZHPUGFBSHT-MSOLQXFVSA-N 2 1 339.524 2.328 20 30 EEEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086784564 784467761 /nfs/dbraw/zinc/46/77/61/784467761.db2.gz BNUFBOSLEVIEKY-SCTDSRPQSA-N 2 1 331.504 2.291 20 30 EEEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448500 787262974 /nfs/dbraw/zinc/26/29/74/787262974.db2.gz KMUZQOWXGVOZOO-SOAMZJECSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448500 787262977 /nfs/dbraw/zinc/26/29/77/787262977.db2.gz KMUZQOWXGVOZOO-SOAMZJECSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448500 787262981 /nfs/dbraw/zinc/26/29/81/787262981.db2.gz KMUZQOWXGVOZOO-SOAMZJECSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448500 787262987 /nfs/dbraw/zinc/26/29/87/787262987.db2.gz KMUZQOWXGVOZOO-SOAMZJECSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991501990 789144173 /nfs/dbraw/zinc/14/41/73/789144173.db2.gz JOPAFVDMNHBYPK-AZUAARDMSA-N 2 1 336.439 2.393 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCCn3ccnc3C)C2)C1 ZINC001148444633 792458030 /nfs/dbraw/zinc/45/80/30/792458030.db2.gz ATIOIUZFVNFNIH-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148444633 792458038 /nfs/dbraw/zinc/45/80/38/792458038.db2.gz ATIOIUZFVNFNIH-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148444633 792458045 /nfs/dbraw/zinc/45/80/45/792458045.db2.gz ATIOIUZFVNFNIH-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918765 806196473 /nfs/dbraw/zinc/19/64/73/806196473.db2.gz YOQTWRBCDAJGRG-QYZOEREBSA-N 2 1 349.519 2.031 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000999127780 793802892 /nfs/dbraw/zinc/80/28/92/793802892.db2.gz YIKKBTUVRXNZJX-UHFFFAOYSA-N 2 1 336.867 2.093 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092816844 794378179 /nfs/dbraw/zinc/37/81/79/794378179.db2.gz IWTYOCCAQOLPLI-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999405208 794419332 /nfs/dbraw/zinc/41/93/32/794419332.db2.gz CZYJTRJYVYUHIC-WLYUNCDWSA-N 2 1 346.500 2.183 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079198859 794445623 /nfs/dbraw/zinc/44/56/23/794445623.db2.gz VXTHNJVYKROSOS-ZYSHUDEJSA-N 2 1 345.462 2.380 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001079739854 795155495 /nfs/dbraw/zinc/15/54/95/795155495.db2.gz LQEMWZFTGBGAEF-NVXWUHKLSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)CC[C@H]1CCC[N@@H+]1C)CCO2 ZINC001093399874 795177574 /nfs/dbraw/zinc/17/75/74/795177574.db2.gz UBVRCJSGMSIYJS-QPIRBTGLSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842385 795425480 /nfs/dbraw/zinc/42/54/80/795425480.db2.gz OHIDPLZBSFSVIA-RBUKOAKNSA-N 2 1 327.472 2.471 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106582149 795881854 /nfs/dbraw/zinc/88/18/54/795881854.db2.gz VIGDKHJJHOEZOO-SYAUCNOPSA-N 2 1 327.900 2.153 20 30 EEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094496544 796289212 /nfs/dbraw/zinc/28/92/12/796289212.db2.gz ALJXMXDZOYTLJB-NLWGTHIKSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094496544 796289216 /nfs/dbraw/zinc/28/92/16/796289216.db2.gz ALJXMXDZOYTLJB-NLWGTHIKSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094496544 796289220 /nfs/dbraw/zinc/28/92/20/796289220.db2.gz ALJXMXDZOYTLJB-NLWGTHIKSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCC2)CC1 ZINC001032800549 796416326 /nfs/dbraw/zinc/41/63/26/796416326.db2.gz MRYNDENITZHXOU-PMACEKPBSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCCC)C2)CC1 ZINC001036901966 796438605 /nfs/dbraw/zinc/43/86/05/796438605.db2.gz BLXLKPHQYMFQGW-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001106840615 797233648 /nfs/dbraw/zinc/23/36/48/797233648.db2.gz XCPYPLFLZIMLPF-HUUCEWRRSA-N 2 1 348.516 2.146 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405799 798414918 /nfs/dbraw/zinc/41/49/18/798414918.db2.gz DXINUZSRNYKHMC-HZPDHXFCSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405799 798414926 /nfs/dbraw/zinc/41/49/26/798414926.db2.gz DXINUZSRNYKHMC-HZPDHXFCSA-N 2 1 328.460 2.001 20 30 EEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178536049 799513136 /nfs/dbraw/zinc/51/31/36/799513136.db2.gz OKFMDIQHZWRHQK-QZTJIDSGSA-N 2 1 337.508 2.082 20 30 EEEDMP C#CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001179593200 799999473 /nfs/dbraw/zinc/99/94/73/799999473.db2.gz ZPRVHFDSIUGKQO-UHFFFAOYSA-N 2 1 329.488 2.060 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001179856647 800133276 /nfs/dbraw/zinc/13/32/76/800133276.db2.gz FHZRANIWBZFCRP-KSSFIOAISA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001179856641 800133429 /nfs/dbraw/zinc/13/34/29/800133429.db2.gz FEMHGRNVFMCMDU-BBRMVZONSA-N 2 1 334.489 2.041 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183354281 801563547 /nfs/dbraw/zinc/56/35/47/801563547.db2.gz ZJZZCWYYEXMYEP-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183354281 801563555 /nfs/dbraw/zinc/56/35/55/801563555.db2.gz ZJZZCWYYEXMYEP-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCCCC2)CC1 ZINC001085987334 801842009 /nfs/dbraw/zinc/84/20/09/801842009.db2.gz ZVWKCURIKSJSHC-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001004479479 802183635 /nfs/dbraw/zinc/18/36/35/802183635.db2.gz FXKPHKVGEKUAPD-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004479479 802183639 /nfs/dbraw/zinc/18/36/39/802183639.db2.gz FXKPHKVGEKUAPD-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004479479 802183643 /nfs/dbraw/zinc/18/36/43/802183643.db2.gz FXKPHKVGEKUAPD-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623876 802291588 /nfs/dbraw/zinc/29/15/88/802291588.db2.gz RTFPMAAPSYQNMD-BBWFWOEESA-N 2 1 339.911 2.250 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185137166 802344554 /nfs/dbraw/zinc/34/45/54/802344554.db2.gz RYTJAKWEUJWXQQ-MSOLQXFVSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185137166 802344563 /nfs/dbraw/zinc/34/45/63/802344563.db2.gz RYTJAKWEUJWXQQ-MSOLQXFVSA-N 2 1 339.524 2.257 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004622742 802484071 /nfs/dbraw/zinc/48/40/71/802484071.db2.gz YXIBFTZNBHZKGM-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]2C1 ZINC000946652534 802638993 /nfs/dbraw/zinc/63/89/93/802638993.db2.gz WLNVZFZTHLFEOF-IYBDPMFKSA-N 2 1 346.475 2.096 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]2C1 ZINC000946652534 802638996 /nfs/dbraw/zinc/63/89/96/802638996.db2.gz WLNVZFZTHLFEOF-IYBDPMFKSA-N 2 1 346.475 2.096 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657473 802679465 /nfs/dbraw/zinc/67/94/65/802679465.db2.gz MROGGMPCNNQNKG-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657473 802679466 /nfs/dbraw/zinc/67/94/66/802679466.db2.gz MROGGMPCNNQNKG-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657473 802679470 /nfs/dbraw/zinc/67/94/70/802679470.db2.gz MROGGMPCNNQNKG-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082704 802957821 /nfs/dbraw/zinc/95/78/21/802957821.db2.gz HATNCVUIWMADSH-MSOLQXFVSA-N 2 1 341.540 2.240 20 30 EEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082704 802957823 /nfs/dbraw/zinc/95/78/23/802957823.db2.gz HATNCVUIWMADSH-MSOLQXFVSA-N 2 1 341.540 2.240 20 30 EEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100082704 802957825 /nfs/dbraw/zinc/95/78/25/802957825.db2.gz HATNCVUIWMADSH-MSOLQXFVSA-N 2 1 341.540 2.240 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169808718 804084541 /nfs/dbraw/zinc/08/45/41/804084541.db2.gz DHAQLQQFWXXCNM-LPHOPBHVSA-N 2 1 342.487 2.417 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108780541 804502263 /nfs/dbraw/zinc/50/22/63/804502263.db2.gz FUJPKPIBLLQPQP-FHWLQOOXSA-N 2 1 333.520 2.491 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001129417382 810832082 /nfs/dbraw/zinc/83/20/82/810832082.db2.gz MSUHGNPPHXRZQN-AWEZNQCLSA-N 2 1 334.489 2.088 20 30 EEEDMP CN(CCC[NH+](C)Cc1cccc(C#N)c1)C(=O)C[N@H+](C)C1CCC1 ZINC001440436296 1093642555 /nfs/dbraw/zinc/64/25/55/1093642555.db2.gz YBNFHFZXOIYULM-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CN(CCC[NH+](C)Cc1cccc(C#N)c1)C(=O)C[N@@H+](C)C1CCC1 ZINC001440436296 1093642560 /nfs/dbraw/zinc/64/25/60/1093642560.db2.gz YBNFHFZXOIYULM-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)CCC1 ZINC001493108474 1107508513 /nfs/dbraw/zinc/50/85/13/1107508513.db2.gz OXRFQFBCDDARDO-AWEZNQCLSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)CCC1 ZINC001493108474 1107508522 /nfs/dbraw/zinc/50/85/22/1107508522.db2.gz OXRFQFBCDDARDO-AWEZNQCLSA-N 2 1 346.500 2.185 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499574083 1112379957 /nfs/dbraw/zinc/37/99/57/1112379957.db2.gz MYNXTTPJFUUWRA-KRWDZBQOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499574083 1112379962 /nfs/dbraw/zinc/37/99/62/1112379962.db2.gz MYNXTTPJFUUWRA-KRWDZBQOSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000491769459 246143061 /nfs/dbraw/zinc/14/30/61/246143061.db2.gz KHRPPFUONKHEOZ-HNNXBMFYSA-N 2 1 328.378 2.154 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000491769459 246143068 /nfs/dbraw/zinc/14/30/68/246143068.db2.gz KHRPPFUONKHEOZ-HNNXBMFYSA-N 2 1 328.378 2.154 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266588209 248373220 /nfs/dbraw/zinc/37/32/20/248373220.db2.gz KXOQEEJLSNBWHB-RTBURBONSA-N 2 1 343.471 2.106 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266588209 248373224 /nfs/dbraw/zinc/37/32/24/248373224.db2.gz KXOQEEJLSNBWHB-RTBURBONSA-N 2 1 343.471 2.106 20 30 EEEDMP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C#N ZINC000174409049 207017648 /nfs/dbraw/zinc/01/76/48/207017648.db2.gz RZLBTIODSRTXEU-INIZCTEOSA-N 2 1 329.444 2.157 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000130429573 292373183 /nfs/dbraw/zinc/37/31/83/292373183.db2.gz LLAKZBWYHSKFCV-UHFFFAOYSA-N 2 1 325.416 2.414 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000130429573 292373185 /nfs/dbraw/zinc/37/31/85/292373185.db2.gz LLAKZBWYHSKFCV-UHFFFAOYSA-N 2 1 325.416 2.414 20 30 EEEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000339428269 465265005 /nfs/dbraw/zinc/26/50/05/465265005.db2.gz HCVHWABKDQAGAW-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000339428269 465265007 /nfs/dbraw/zinc/26/50/07/465265007.db2.gz HCVHWABKDQAGAW-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000339428269 465265008 /nfs/dbraw/zinc/26/50/08/465265008.db2.gz HCVHWABKDQAGAW-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCCn3ccnc32)C1 ZINC000329301416 465293260 /nfs/dbraw/zinc/29/32/60/465293260.db2.gz WFDDDCDTTKTBJJ-ARFHVFGLSA-N 2 1 331.464 2.091 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000066922043 462946495 /nfs/dbraw/zinc/94/64/95/462946495.db2.gz NMLQPSTUHBZNHF-PXNSSMCTSA-N 2 1 339.483 2.283 20 30 EEEDMP C=C(C)[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)OCC ZINC000535880824 468336784 /nfs/dbraw/zinc/33/67/84/468336784.db2.gz QYPYKHRJNHEXAW-QGZVFWFLSA-N 2 1 332.448 2.143 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000264114895 464285614 /nfs/dbraw/zinc/28/56/14/464285614.db2.gz SDGPPUNLGWYYJG-MRXNPFEDSA-N 2 1 332.492 2.358 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000264114895 464285617 /nfs/dbraw/zinc/28/56/17/464285617.db2.gz SDGPPUNLGWYYJG-MRXNPFEDSA-N 2 1 332.492 2.358 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2OC)CC1 ZINC000264162847 464288173 /nfs/dbraw/zinc/28/81/73/464288173.db2.gz BPXYFZPJPMXAFC-HNNXBMFYSA-N 2 1 330.476 2.115 20 30 EEEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000424156258 466991831 /nfs/dbraw/zinc/99/18/31/466991831.db2.gz OFHLBTYFLVRWHQ-ZBFHGGJFSA-N 2 1 334.489 2.097 20 30 EEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000602542122 469354806 /nfs/dbraw/zinc/35/48/06/469354806.db2.gz UBWHBSFXKACGMB-QGZVFWFLSA-N 2 1 335.492 2.320 20 30 EEEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000602595815 469377254 /nfs/dbraw/zinc/37/72/54/469377254.db2.gz CWBPCMGTTMILJD-FQEVSTJZSA-N 2 1 336.439 2.200 20 30 EEEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000602595815 469377260 /nfs/dbraw/zinc/37/72/60/469377260.db2.gz CWBPCMGTTMILJD-FQEVSTJZSA-N 2 1 336.439 2.200 20 30 EEEDMP CC(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000104174065 528421771 /nfs/dbraw/zinc/42/17/71/528421771.db2.gz AIUAJBAEWVOKGA-GOSISDBHSA-N 2 1 332.492 2.053 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636053 676290263 /nfs/dbraw/zinc/29/02/63/676290263.db2.gz NIRTVIXVOJVTEY-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636053 676290265 /nfs/dbraw/zinc/29/02/65/676290265.db2.gz NIRTVIXVOJVTEY-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739783 676398109 /nfs/dbraw/zinc/39/81/09/676398109.db2.gz NDNUGGUZKVJMEK-MOPGFXCFSA-N 2 1 331.504 2.199 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001022109319 676657871 /nfs/dbraw/zinc/65/78/71/676657871.db2.gz KYHWPZILOACCQX-UWWPHRKUSA-N 2 1 346.500 2.087 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001022166354 676713635 /nfs/dbraw/zinc/71/36/35/676713635.db2.gz UQXWAZWIPIQTPF-OTWHNJEPSA-N 2 1 340.471 2.169 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2CC)C1 ZINC001022221015 676742630 /nfs/dbraw/zinc/74/26/30/676742630.db2.gz VKWPSQQMZXVBES-ZCNNSNEGSA-N 2 1 339.483 2.083 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2CC)C1 ZINC001022221015 676742631 /nfs/dbraw/zinc/74/26/31/676742631.db2.gz VKWPSQQMZXVBES-ZCNNSNEGSA-N 2 1 339.483 2.083 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331160 678553441 /nfs/dbraw/zinc/55/34/41/678553441.db2.gz INPZMKWLNVBPAG-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331160 678553445 /nfs/dbraw/zinc/55/34/45/678553445.db2.gz INPZMKWLNVBPAG-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331160 678553447 /nfs/dbraw/zinc/55/34/47/678553447.db2.gz INPZMKWLNVBPAG-QFBILLFUSA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972419157 678713916 /nfs/dbraw/zinc/71/39/16/678713916.db2.gz BOXLPZFRSALPNW-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972419157 678713920 /nfs/dbraw/zinc/71/39/20/678713920.db2.gz BOXLPZFRSALPNW-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972419157 678713924 /nfs/dbraw/zinc/71/39/24/678713924.db2.gz BOXLPZFRSALPNW-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026892797 685257844 /nfs/dbraw/zinc/25/78/44/685257844.db2.gz CGHRSPRWHNWNRV-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026892797 685257848 /nfs/dbraw/zinc/25/78/48/685257848.db2.gz CGHRSPRWHNWNRV-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001024477118 679949885 /nfs/dbraw/zinc/94/98/85/679949885.db2.gz JCNSGKVBPMHFPI-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001024477118 679949883 /nfs/dbraw/zinc/94/98/83/679949883.db2.gz JCNSGKVBPMHFPI-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001024647670 681311297 /nfs/dbraw/zinc/31/12/97/681311297.db2.gz RJKFPYUYUGRODD-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647670 681311301 /nfs/dbraw/zinc/31/13/01/681311301.db2.gz RJKFPYUYUGRODD-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647670 681311307 /nfs/dbraw/zinc/31/13/07/681311307.db2.gz RJKFPYUYUGRODD-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982724894 682110703 /nfs/dbraw/zinc/11/07/03/682110703.db2.gz FYLRJLLBODTXTB-KVPLUYHFSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001025577137 683034378 /nfs/dbraw/zinc/03/43/78/683034378.db2.gz QHZPZDLFPQZQLU-HOTGVXAUSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001025577137 683034380 /nfs/dbraw/zinc/03/43/80/683034380.db2.gz QHZPZDLFPQZQLU-HOTGVXAUSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001026561385 684741749 /nfs/dbraw/zinc/74/17/49/684741749.db2.gz YQKOOENRMSTOKG-JMLCCBQJSA-N 2 1 325.472 2.402 20 30 EEEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000262474403 686266587 /nfs/dbraw/zinc/26/65/87/686266587.db2.gz ZNDOPSKPXHCZLZ-GVDBMIGSSA-N 2 1 336.524 2.039 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029757885 687023110 /nfs/dbraw/zinc/02/31/10/687023110.db2.gz KLKRECTUWZWJRY-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029757885 687023114 /nfs/dbraw/zinc/02/31/14/687023114.db2.gz KLKRECTUWZWJRY-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029757885 687023118 /nfs/dbraw/zinc/02/31/18/687023118.db2.gz KLKRECTUWZWJRY-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029757885 687023123 /nfs/dbraw/zinc/02/31/23/687023123.db2.gz KLKRECTUWZWJRY-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000985516422 687084943 /nfs/dbraw/zinc/08/49/43/687084943.db2.gz OPWULIGRQXHAEG-HNNXBMFYSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000985516422 687084944 /nfs/dbraw/zinc/08/49/44/687084944.db2.gz OPWULIGRQXHAEG-HNNXBMFYSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000985516422 687084948 /nfs/dbraw/zinc/08/49/48/687084948.db2.gz OPWULIGRQXHAEG-HNNXBMFYSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414739 688011199 /nfs/dbraw/zinc/01/11/99/688011199.db2.gz VNEDGVFBTQDTNL-JKSUJKDBSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414739 688011202 /nfs/dbraw/zinc/01/12/02/688011202.db2.gz VNEDGVFBTQDTNL-JKSUJKDBSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027545543 692842691 /nfs/dbraw/zinc/84/26/91/692842691.db2.gz CUFQCCJFSLOTRQ-HRCADAONSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001027545543 692842696 /nfs/dbraw/zinc/84/26/96/692842696.db2.gz CUFQCCJFSLOTRQ-HRCADAONSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001027545543 692842701 /nfs/dbraw/zinc/84/27/01/692842701.db2.gz CUFQCCJFSLOTRQ-HRCADAONSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001027545543 692842706 /nfs/dbraw/zinc/84/27/06/692842706.db2.gz CUFQCCJFSLOTRQ-HRCADAONSA-N 2 1 327.900 2.392 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)C)CC2(C)C)CC1 ZINC000977652022 692880951 /nfs/dbraw/zinc/88/09/51/692880951.db2.gz HPIDHIPIOAXAJK-GOSISDBHSA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990686124 693219264 /nfs/dbraw/zinc/21/92/64/693219264.db2.gz NMNVXBLERVDVGU-NLWGTHIKSA-N 2 1 331.504 2.408 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772114 1192556201 /nfs/dbraw/zinc/55/62/01/1192556201.db2.gz QGGPYSUNDVWVLP-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772114 1192556203 /nfs/dbraw/zinc/55/62/03/1192556203.db2.gz QGGPYSUNDVWVLP-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001089892785 1193201581 /nfs/dbraw/zinc/20/15/81/1193201581.db2.gz LQRQAQUFSDZWOC-QAETUUGQSA-N 2 1 349.906 2.004 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945088022 1193361611 /nfs/dbraw/zinc/36/16/11/1193361611.db2.gz ABCOSHMBAMUZDV-LPHOPBHVSA-N 2 1 327.472 2.212 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001105439004 1187121278 /nfs/dbraw/zinc/12/12/78/1187121278.db2.gz VNEQBKVGSAKUOX-VELGLUOQSA-N 2 1 341.499 2.176 20 30 EEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105575010 1188189060 /nfs/dbraw/zinc/18/90/60/1188189060.db2.gz OVXYLSGBNFEMHW-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001076245591 1188807825 /nfs/dbraw/zinc/80/78/25/1188807825.db2.gz JPNRHZXYLUIYFF-ZIFCJYIRSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001076245591 1188807829 /nfs/dbraw/zinc/80/78/29/1188807829.db2.gz JPNRHZXYLUIYFF-ZIFCJYIRSA-N 2 1 342.487 2.253 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818032 1194441690 /nfs/dbraw/zinc/44/16/90/1194441690.db2.gz AZTYANJDZHREPB-ZGXWSNOMSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818032 1194441693 /nfs/dbraw/zinc/44/16/93/1194441693.db2.gz AZTYANJDZHREPB-ZGXWSNOMSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818032 1194441699 /nfs/dbraw/zinc/44/16/99/1194441699.db2.gz AZTYANJDZHREPB-ZGXWSNOMSA-N 2 1 343.515 2.197 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)CC1 ZINC001005406875 1195408522 /nfs/dbraw/zinc/40/85/22/1195408522.db2.gz JEXWCJCLPGZNHE-SFHVURJKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001005406875 1195408524 /nfs/dbraw/zinc/40/85/24/1195408524.db2.gz JEXWCJCLPGZNHE-SFHVURJKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001005406875 1195408527 /nfs/dbraw/zinc/40/85/27/1195408527.db2.gz JEXWCJCLPGZNHE-SFHVURJKSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034208221 1195946625 /nfs/dbraw/zinc/94/66/25/1195946625.db2.gz SDVPSGRYQSDTKL-HOTGVXAUSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034208221 1195946629 /nfs/dbraw/zinc/94/66/29/1195946629.db2.gz SDVPSGRYQSDTKL-HOTGVXAUSA-N 2 1 325.884 2.051 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001034972176 1196928927 /nfs/dbraw/zinc/92/89/27/1196928927.db2.gz COWBWNLYPJQGQG-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144483 1197014822 /nfs/dbraw/zinc/01/48/22/1197014822.db2.gz QGNTZQFXHZXTEL-UYAOXDASSA-N 2 1 346.519 2.337 20 30 EEEDMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144483 1197014826 /nfs/dbraw/zinc/01/48/26/1197014826.db2.gz QGNTZQFXHZXTEL-UYAOXDASSA-N 2 1 346.519 2.337 20 30 EEEDMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144483 1197014828 /nfs/dbraw/zinc/01/48/28/1197014828.db2.gz QGNTZQFXHZXTEL-UYAOXDASSA-N 2 1 346.519 2.337 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132215319 1199441082 /nfs/dbraw/zinc/44/10/82/1199441082.db2.gz VTHIODRERZGNHQ-DLBZAZTESA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335105 1199583480 /nfs/dbraw/zinc/58/34/80/1199583480.db2.gz JMFADJRASPTPMZ-IAGOWNOFSA-N 2 1 330.476 2.389 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335105 1199583484 /nfs/dbraw/zinc/58/34/84/1199583484.db2.gz JMFADJRASPTPMZ-IAGOWNOFSA-N 2 1 330.476 2.389 20 30 EEEDMP CCc1ccc(C#CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000814617435 1199629744 /nfs/dbraw/zinc/62/97/44/1199629744.db2.gz JHHUPSMKZTZSNL-UHFFFAOYSA-N 2 1 348.450 2.386 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406639 1199664655 /nfs/dbraw/zinc/66/46/55/1199664655.db2.gz LYNMQKKEVCPBMI-DLBZAZTESA-N 2 1 337.508 2.033 20 30 EEEDMP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134613574 1199690399 /nfs/dbraw/zinc/69/03/99/1199690399.db2.gz WEVMYWCWRNKTBH-HZPDHXFCSA-N 2 1 342.487 2.415 20 30 EEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000876735586 1199747281 /nfs/dbraw/zinc/74/72/81/1199747281.db2.gz GHMZOFNVGIMCKF-AWEZNQCLSA-N 2 1 336.798 2.406 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000883131416 1202018199 /nfs/dbraw/zinc/01/81/99/1202018199.db2.gz AVFRQIRXKZBESR-UHFFFAOYSA-N 2 1 341.415 2.040 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000883131416 1202018202 /nfs/dbraw/zinc/01/82/02/1202018202.db2.gz AVFRQIRXKZBESR-UHFFFAOYSA-N 2 1 341.415 2.040 20 30 EEEDMP N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)C1=O ZINC001274266677 1204980558 /nfs/dbraw/zinc/98/05/58/1204980558.db2.gz ATOKKHDUOBBZLZ-LJQANCHMSA-N 2 1 337.427 2.434 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CCC[C@@]23CCN(CCn2ccnc2)C3=O)c1 ZINC001275268391 1205294842 /nfs/dbraw/zinc/29/48/42/1205294842.db2.gz GIJDZJMRCAXLIO-FQEVSTJZSA-N 2 1 349.438 2.022 20 30 EEEDMP N#Cc1cccc(CN2CCC[C@@]23CCN(CCn2ccnc2)C3=O)c1 ZINC001275268391 1205294843 /nfs/dbraw/zinc/29/48/43/1205294843.db2.gz GIJDZJMRCAXLIO-FQEVSTJZSA-N 2 1 349.438 2.022 20 30 EEEDMP C=CCOc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275708107 1205493007 /nfs/dbraw/zinc/49/30/07/1205493007.db2.gz JMLLIWRDPBLBMA-KDURUIRLSA-N 2 1 329.488 2.462 20 30 EEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275708107 1205493009 /nfs/dbraw/zinc/49/30/09/1205493009.db2.gz JMLLIWRDPBLBMA-KDURUIRLSA-N 2 1 329.488 2.462 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC001114739971 1215159286 /nfs/dbraw/zinc/15/92/86/1215159286.db2.gz YJGBQXMXDNEVOY-SIXLDLHFSA-N 2 1 331.460 2.356 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC000960880549 1216958055 /nfs/dbraw/zinc/95/80/55/1216958055.db2.gz KNUJSABPEAPJFQ-OALUTQOASA-N 2 1 342.487 2.321 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961219760 1217094992 /nfs/dbraw/zinc/09/49/92/1217094992.db2.gz KEUGGVULIMHXLC-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961338731 1217148983 /nfs/dbraw/zinc/14/89/83/1217148983.db2.gz GXLVZJVYKCMXST-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961338731 1217148985 /nfs/dbraw/zinc/14/89/85/1217148985.db2.gz GXLVZJVYKCMXST-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961379122 1217166137 /nfs/dbraw/zinc/16/61/37/1217166137.db2.gz QLUJPBRQDGSLHG-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419544 1217615257 /nfs/dbraw/zinc/61/52/57/1217615257.db2.gz VMCCXNQDBGZODR-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419544 1217615261 /nfs/dbraw/zinc/61/52/61/1217615261.db2.gz VMCCXNQDBGZODR-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000967499824 1220569435 /nfs/dbraw/zinc/56/94/35/1220569435.db2.gz REYUUNPOKORPQL-APWZRJJASA-N 2 1 336.439 2.336 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968859056 1221628414 /nfs/dbraw/zinc/62/84/14/1221628414.db2.gz LFQLGGYWMXWVNJ-IAGOWNOFSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968859056 1221628417 /nfs/dbraw/zinc/62/84/17/1221628417.db2.gz LFQLGGYWMXWVNJ-IAGOWNOFSA-N 2 1 339.911 2.442 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000968890537 1221649843 /nfs/dbraw/zinc/64/98/43/1221649843.db2.gz JYBKSSKDQIRKNP-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000968890537 1221649844 /nfs/dbraw/zinc/64/98/44/1221649844.db2.gz JYBKSSKDQIRKNP-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000968890537 1221649846 /nfs/dbraw/zinc/64/98/46/1221649846.db2.gz JYBKSSKDQIRKNP-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005456 1221734325 /nfs/dbraw/zinc/73/43/25/1221734325.db2.gz TXQCFLCEUKRNEF-KRWDZBQOSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005456 1221734324 /nfs/dbraw/zinc/73/43/24/1221734324.db2.gz TXQCFLCEUKRNEF-KRWDZBQOSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065297 1222600293 /nfs/dbraw/zinc/60/02/93/1222600293.db2.gz ZVIKFDGVCUQTAI-GOSISDBHSA-N 2 1 327.472 2.008 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277737 1222731833 /nfs/dbraw/zinc/73/18/33/1222731833.db2.gz VXPSPNKQYJQEGS-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008277737 1222731836 /nfs/dbraw/zinc/73/18/36/1222731836.db2.gz VXPSPNKQYJQEGS-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008277737 1222731839 /nfs/dbraw/zinc/73/18/39/1222731839.db2.gz VXPSPNKQYJQEGS-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001038502270 1229874855 /nfs/dbraw/zinc/87/48/55/1229874855.db2.gz MKYWYYXDPKTDLB-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039128133 1230336956 /nfs/dbraw/zinc/33/69/56/1230336956.db2.gz VGKWAUCWTVGLSF-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039128133 1230336960 /nfs/dbraw/zinc/33/69/60/1230336960.db2.gz VGKWAUCWTVGLSF-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039128133 1230336962 /nfs/dbraw/zinc/33/69/62/1230336962.db2.gz VGKWAUCWTVGLSF-DLBZAZTESA-N 2 1 339.911 2.394 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233470 1230466684 /nfs/dbraw/zinc/46/66/84/1230466684.db2.gz BPLZBQQKULHYRJ-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234079 1230467376 /nfs/dbraw/zinc/46/73/76/1230467376.db2.gz IBZWWYQAOKHVEM-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001040393736 1231204700 /nfs/dbraw/zinc/20/47/00/1231204700.db2.gz DCCURYUAFKGHFU-WOJBJXKFSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001040393736 1231204706 /nfs/dbraw/zinc/20/47/06/1231204706.db2.gz DCCURYUAFKGHFU-WOJBJXKFSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001040393736 1231204710 /nfs/dbraw/zinc/20/47/10/1231204710.db2.gz DCCURYUAFKGHFU-WOJBJXKFSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040430304 1231228113 /nfs/dbraw/zinc/22/81/13/1231228113.db2.gz AJCPDVVWCUQPKO-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542719 1231283883 /nfs/dbraw/zinc/28/38/83/1231283883.db2.gz CUPQBRMGNNBEKB-PZJWPPBQSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)CC1 ZINC001040705125 1231342539 /nfs/dbraw/zinc/34/25/39/1231342539.db2.gz DBYIPPPERKWAKW-KRWDZBQOSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001040745285 1231355272 /nfs/dbraw/zinc/35/52/72/1231355272.db2.gz KWXKIXWJTXPQIN-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041298305 1231498331 /nfs/dbraw/zinc/49/83/31/1231498331.db2.gz WLGWQKXPUYTVKY-BFYDXBDKSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041298305 1231498333 /nfs/dbraw/zinc/49/83/33/1231498333.db2.gz WLGWQKXPUYTVKY-BFYDXBDKSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041298305 1231498334 /nfs/dbraw/zinc/49/83/34/1231498334.db2.gz WLGWQKXPUYTVKY-BFYDXBDKSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041298305 1231498338 /nfs/dbraw/zinc/49/83/38/1231498338.db2.gz WLGWQKXPUYTVKY-BFYDXBDKSA-N 2 1 325.884 2.004 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357144 1231517958 /nfs/dbraw/zinc/51/79/58/1231517958.db2.gz FCMKUJHPXHMETG-PZJWPPBQSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001041367828 1231521537 /nfs/dbraw/zinc/52/15/37/1231521537.db2.gz HOZZJOBCTYHOKC-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001041367828 1231521539 /nfs/dbraw/zinc/52/15/39/1231521539.db2.gz HOZZJOBCTYHOKC-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001041367828 1231521542 /nfs/dbraw/zinc/52/15/42/1231521542.db2.gz HOZZJOBCTYHOKC-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001041367828 1231521545 /nfs/dbraw/zinc/52/15/45/1231521545.db2.gz HOZZJOBCTYHOKC-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432795 1231544669 /nfs/dbraw/zinc/54/46/69/1231544669.db2.gz SRAJXUGOTARQJL-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432795 1231544671 /nfs/dbraw/zinc/54/46/71/1231544671.db2.gz SRAJXUGOTARQJL-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041432795 1231544674 /nfs/dbraw/zinc/54/46/74/1231544674.db2.gz SRAJXUGOTARQJL-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001045385858 1233711057 /nfs/dbraw/zinc/71/10/57/1233711057.db2.gz ZNPRLWBURVBADR-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045942845 1234202122 /nfs/dbraw/zinc/20/21/22/1234202122.db2.gz BEIHJXMOMTVGCD-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]cn1)C2 ZINC001045973511 1234258457 /nfs/dbraw/zinc/25/84/57/1234258457.db2.gz SCQHXTDAPNCKNK-QFBILLFUSA-N 2 1 330.476 2.479 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001045973511 1234258461 /nfs/dbraw/zinc/25/84/61/1234258461.db2.gz SCQHXTDAPNCKNK-QFBILLFUSA-N 2 1 330.476 2.479 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001045973511 1234258463 /nfs/dbraw/zinc/25/84/63/1234258463.db2.gz SCQHXTDAPNCKNK-QFBILLFUSA-N 2 1 330.476 2.479 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001045980452 1234271104 /nfs/dbraw/zinc/27/11/04/1234271104.db2.gz YXGZWCQFGOGYJC-HXUWFJFHSA-N 2 1 340.471 2.099 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001045980452 1234271107 /nfs/dbraw/zinc/27/11/07/1234271107.db2.gz YXGZWCQFGOGYJC-HXUWFJFHSA-N 2 1 340.471 2.099 20 30 EEEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863720 1235261247 /nfs/dbraw/zinc/26/12/47/1235261247.db2.gz HGKQSEWJAHDRLC-LJQANCHMSA-N 2 1 331.460 2.339 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863720 1235261249 /nfs/dbraw/zinc/26/12/49/1235261249.db2.gz HGKQSEWJAHDRLC-LJQANCHMSA-N 2 1 331.460 2.339 20 30 EEEDMP C[C@@H](C#N)OCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000801926413 1236447822 /nfs/dbraw/zinc/44/78/22/1236447822.db2.gz QAWHWSUPCWILLY-KRWDZBQOSA-N 2 1 336.524 2.043 20 30 EEEDMP C[C@@H](C#N)OCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000801926413 1236447827 /nfs/dbraw/zinc/44/78/27/1236447827.db2.gz QAWHWSUPCWILLY-KRWDZBQOSA-N 3 1 336.524 2.043 20 30 EEEDMP C[C@@H](C#N)OCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000801926413 1236447832 /nfs/dbraw/zinc/44/78/32/1236447832.db2.gz QAWHWSUPCWILLY-KRWDZBQOSA-N 3 1 336.524 2.043 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001048529188 1237879413 /nfs/dbraw/zinc/87/94/13/1237879413.db2.gz IHTQOORPAPXBFK-XCDZQEORSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529188 1237879425 /nfs/dbraw/zinc/87/94/25/1237879425.db2.gz IHTQOORPAPXBFK-XCDZQEORSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529188 1237879443 /nfs/dbraw/zinc/87/94/43/1237879443.db2.gz IHTQOORPAPXBFK-XCDZQEORSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001048574623 1237999371 /nfs/dbraw/zinc/99/93/71/1237999371.db2.gz MAYKCYVWIZQDDI-FNLKRUPLSA-N 2 1 339.483 2.354 20 30 EEEDMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C#N)c1 ZINC000902793480 1238544031 /nfs/dbraw/zinc/54/40/31/1238544031.db2.gz ITZKOGBMSADMDV-MSOLQXFVSA-N 2 1 328.460 2.186 20 30 EEEDMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C#N)c1 ZINC000902793481 1238544139 /nfs/dbraw/zinc/54/41/39/1238544139.db2.gz ITZKOGBMSADMDV-QZTJIDSGSA-N 2 1 328.460 2.186 20 30 EEEDMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C#N)c1 ZINC000902793482 1238545101 /nfs/dbraw/zinc/54/51/01/1238545101.db2.gz ITZKOGBMSADMDV-ROUUACIJSA-N 2 1 328.460 2.186 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107416 1240018490 /nfs/dbraw/zinc/01/84/90/1240018490.db2.gz ISEIGRYOWJZRHR-RDGPPVDQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107416 1240018500 /nfs/dbraw/zinc/01/85/00/1240018500.db2.gz ISEIGRYOWJZRHR-RDGPPVDQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107416 1240018512 /nfs/dbraw/zinc/01/85/12/1240018512.db2.gz ISEIGRYOWJZRHR-RDGPPVDQSA-N 2 1 331.504 2.360 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001000195682 1240050904 /nfs/dbraw/zinc/05/09/04/1240050904.db2.gz ZHQNANXYVOYUBT-GJZGRUSLSA-N 2 1 346.500 2.185 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514406 1241187927 /nfs/dbraw/zinc/18/79/27/1241187927.db2.gz DQQALFHRAYYBAH-GBESFXJTSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514406 1241187930 /nfs/dbraw/zinc/18/79/30/1241187930.db2.gz DQQALFHRAYYBAH-GBESFXJTSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514406 1241187935 /nfs/dbraw/zinc/18/79/35/1241187935.db2.gz DQQALFHRAYYBAH-GBESFXJTSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049519772 1241219784 /nfs/dbraw/zinc/21/97/84/1241219784.db2.gz AZFMTJKWCXTLST-XUVXKRRUSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049519772 1241219799 /nfs/dbraw/zinc/21/97/99/1241219799.db2.gz AZFMTJKWCXTLST-XUVXKRRUSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049519772 1241219808 /nfs/dbraw/zinc/21/98/08/1241219808.db2.gz AZFMTJKWCXTLST-XUVXKRRUSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049526190 1241250452 /nfs/dbraw/zinc/25/04/52/1241250452.db2.gz UFTMYCQKYAMSNL-QRVBRYPASA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049526190 1241250461 /nfs/dbraw/zinc/25/04/61/1241250461.db2.gz UFTMYCQKYAMSNL-QRVBRYPASA-N 2 1 329.488 2.092 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049526190 1241250467 /nfs/dbraw/zinc/25/04/67/1241250467.db2.gz UFTMYCQKYAMSNL-QRVBRYPASA-N 2 1 329.488 2.092 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561749 1241424267 /nfs/dbraw/zinc/42/42/67/1241424267.db2.gz QATOXWVWEOIXAL-RTBURBONSA-N 2 1 336.439 2.345 20 30 EEEDMP N#CC1(CCCC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000903742016 1241799262 /nfs/dbraw/zinc/79/92/62/1241799262.db2.gz ULQMEVBPDOFNRH-MSOLQXFVSA-N 2 1 346.519 2.431 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001050550295 1243829415 /nfs/dbraw/zinc/82/94/15/1243829415.db2.gz KUOJQXHIRKGTAR-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001050550295 1243829419 /nfs/dbraw/zinc/82/94/19/1243829419.db2.gz KUOJQXHIRKGTAR-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)CC1 ZINC001050661818 1244070034 /nfs/dbraw/zinc/07/00/34/1244070034.db2.gz CUVJXRQIWLTAIF-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709783 1244803104 /nfs/dbraw/zinc/80/31/04/1244803104.db2.gz RVJRBNKGXLBTNO-FQEVSTJZSA-N 2 1 341.499 2.398 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257626 1245582222 /nfs/dbraw/zinc/58/22/22/1245582222.db2.gz DHBHFPPBIPQKMF-NUJGCVRESA-N 2 1 325.472 2.023 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055275 1245784829 /nfs/dbraw/zinc/78/48/29/1245784829.db2.gz WQRRKTDCDRXDSJ-OALUTQOASA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055275 1245784834 /nfs/dbraw/zinc/78/48/34/1245784834.db2.gz WQRRKTDCDRXDSJ-OALUTQOASA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001053087558 1245867301 /nfs/dbraw/zinc/86/73/01/1245867301.db2.gz MFKGIFZTYPUTKK-WMZOPIPTSA-N 2 1 328.460 2.069 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108717 1245928499 /nfs/dbraw/zinc/92/84/99/1245928499.db2.gz WDWRNCKRFJKQPZ-RTBURBONSA-N 2 1 331.504 2.199 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001052254964 1246780805 /nfs/dbraw/zinc/78/08/05/1246780805.db2.gz SLFKBQUCTYAXES-PBHICJAKSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001052254964 1246780814 /nfs/dbraw/zinc/78/08/14/1246780814.db2.gz SLFKBQUCTYAXES-PBHICJAKSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001052254964 1246780823 /nfs/dbraw/zinc/78/08/23/1246780823.db2.gz SLFKBQUCTYAXES-PBHICJAKSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001054035292 1247188273 /nfs/dbraw/zinc/18/82/73/1247188273.db2.gz JCCNRGZQKNFZCB-OALUTQOASA-N 2 1 327.472 2.200 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001054035292 1247188276 /nfs/dbraw/zinc/18/82/76/1247188276.db2.gz JCCNRGZQKNFZCB-OALUTQOASA-N 2 1 327.472 2.200 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001054035292 1247188280 /nfs/dbraw/zinc/18/82/80/1247188280.db2.gz JCCNRGZQKNFZCB-OALUTQOASA-N 2 1 327.472 2.200 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(CC)CC)CC1 ZINC001052458465 1247332878 /nfs/dbraw/zinc/33/28/78/1247332878.db2.gz CJDJMUJQGIHHFB-OALUTQOASA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(CC)CC)CC1 ZINC001052458465 1247332890 /nfs/dbraw/zinc/33/28/90/1247332890.db2.gz CJDJMUJQGIHHFB-OALUTQOASA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(CC)CC)CC1 ZINC001052458465 1247332900 /nfs/dbraw/zinc/33/29/00/1247332900.db2.gz CJDJMUJQGIHHFB-OALUTQOASA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(CC)CC)CC1 ZINC001052458465 1247332913 /nfs/dbraw/zinc/33/29/13/1247332913.db2.gz CJDJMUJQGIHHFB-OALUTQOASA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC=C(C)C)C3)CC1 ZINC001099174444 1257994146 /nfs/dbraw/zinc/99/41/46/1257994146.db2.gz MSIDHXDHVJDYSX-FPOVZHCZSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099251173 1258036106 /nfs/dbraw/zinc/03/61/06/1258036106.db2.gz HCDYURYVSGAWTD-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099251173 1258036112 /nfs/dbraw/zinc/03/61/12/1258036112.db2.gz HCDYURYVSGAWTD-MSOLQXFVSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353419 1258096267 /nfs/dbraw/zinc/09/62/67/1258096267.db2.gz BAOSAMUTSMXWHZ-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)CCc1cnc[nH]1 ZINC001134545434 1278001606 /nfs/dbraw/zinc/00/16/06/1278001606.db2.gz OTWBZJQZEFFSNO-GJZGRUSLSA-N 2 1 339.443 2.287 20 30 EEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989518 1281736265 /nfs/dbraw/zinc/73/62/65/1281736265.db2.gz YGJPFGQFMMWUEB-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989518 1281736274 /nfs/dbraw/zinc/73/62/74/1281736274.db2.gz YGJPFGQFMMWUEB-FUHWJXTLSA-N 2 1 330.476 2.253 20 30 EEEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203312207 1284764701 /nfs/dbraw/zinc/76/47/01/1284764701.db2.gz AZOLKRYHLRPYRK-IBGZPJMESA-N 2 1 327.472 2.283 20 30 EEEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203312209 1284766288 /nfs/dbraw/zinc/76/62/88/1284766288.db2.gz AZOLKRYHLRPYRK-LJQANCHMSA-N 2 1 327.472 2.283 20 30 EEEDMP C=CCC[NH2+][C@@H](CNC(=O)C[N@H+](C)CCC)c1ccccc1OC ZINC001198969208 1285450957 /nfs/dbraw/zinc/45/09/57/1285450957.db2.gz SOSKVGDAAOASAM-KRWDZBQOSA-N 2 1 333.476 2.360 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071896575 1294981306 /nfs/dbraw/zinc/98/13/06/1294981306.db2.gz GZULWXRERFFDEC-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001216490821 1297190998 /nfs/dbraw/zinc/19/09/98/1297190998.db2.gz QEPHBBJTPDYSSF-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801628 1297544200 /nfs/dbraw/zinc/54/42/00/1297544200.db2.gz QBOQBEBWAQCKEL-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801628 1297544209 /nfs/dbraw/zinc/54/42/09/1297544209.db2.gz QBOQBEBWAQCKEL-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801628 1297544215 /nfs/dbraw/zinc/54/42/15/1297544215.db2.gz QBOQBEBWAQCKEL-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001218161981 1297587368 /nfs/dbraw/zinc/58/73/68/1297587368.db2.gz KEZIOSLZIWOWMZ-FGTMMUONSA-N 2 1 339.524 2.209 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098841693 1298713206 /nfs/dbraw/zinc/71/32/06/1298713206.db2.gz NHGMGPIENNTJGV-JZXOWHBKSA-N 2 1 337.895 2.051 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098841693 1298713225 /nfs/dbraw/zinc/71/32/25/1298713225.db2.gz NHGMGPIENNTJGV-JZXOWHBKSA-N 2 1 337.895 2.051 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099062234 1298844226 /nfs/dbraw/zinc/84/42/26/1298844226.db2.gz WKYICBXZPBZFIK-HBFSDRIKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258017 1298988635 /nfs/dbraw/zinc/98/86/35/1298988635.db2.gz NJKULSUIYLKGJQ-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@@H]21 ZINC001222921645 1299920866 /nfs/dbraw/zinc/92/08/66/1299920866.db2.gz IMQNDFBZXRWHDF-KONPQCLYSA-N 2 1 328.460 2.402 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015945 1300144031 /nfs/dbraw/zinc/14/40/31/1300144031.db2.gz WCDNARXUQDUQOF-YUELXQCFSA-N 2 1 333.879 2.103 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001224570184 1300653226 /nfs/dbraw/zinc/65/32/26/1300653226.db2.gz TYPOKSALRHXTBR-UHFFFAOYSA-N 2 1 341.499 2.012 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507464 1301161105 /nfs/dbraw/zinc/16/11/05/1301161105.db2.gz AYYVJOVZRHFZPP-DBXWQHBBSA-N 2 1 341.499 2.171 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC/C=C/CCC)CC1 ZINC001227849481 1301987263 /nfs/dbraw/zinc/98/72/63/1301987263.db2.gz VJIRSAOFOFXASE-GHOSXJJBSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC/C=C/CCC)CC1 ZINC001227849481 1301987266 /nfs/dbraw/zinc/98/72/66/1301987266.db2.gz VJIRSAOFOFXASE-GHOSXJJBSA-N 2 1 331.504 2.411 20 30 EEEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396746 1302905350 /nfs/dbraw/zinc/90/53/50/1302905350.db2.gz ICRMXFJHPUGETE-UYAOXDASSA-N 2 1 341.499 2.064 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001103437196 1302961282 /nfs/dbraw/zinc/96/12/82/1302961282.db2.gz NYVGXFLMPYGFFF-YLJYHZDGSA-N 2 1 341.499 2.112 20 30 EEEDMP CC#CC[N@H+](CCCNC(=O)CCCC[NH+](C)C)Cc1cccnc1 ZINC001230907001 1303539711 /nfs/dbraw/zinc/53/97/11/1303539711.db2.gz YMYLGBDHGAHNIL-UHFFFAOYSA-N 2 1 344.503 2.145 20 30 EEEDMP CC#CC[N@@H+](CCCNC(=O)CCCC[NH+](C)C)Cc1cccnc1 ZINC001230907001 1303539718 /nfs/dbraw/zinc/53/97/18/1303539718.db2.gz YMYLGBDHGAHNIL-UHFFFAOYSA-N 2 1 344.503 2.145 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001111852486 1303997541 /nfs/dbraw/zinc/99/75/41/1303997541.db2.gz XFRHKQNFXBDINO-NSHGMRRFSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001111852486 1303997543 /nfs/dbraw/zinc/99/75/43/1303997543.db2.gz XFRHKQNFXBDINO-NSHGMRRFSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001111852486 1303997546 /nfs/dbraw/zinc/99/75/46/1303997546.db2.gz XFRHKQNFXBDINO-NSHGMRRFSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001111852486 1303997549 /nfs/dbraw/zinc/99/75/49/1303997549.db2.gz XFRHKQNFXBDINO-NSHGMRRFSA-N 2 1 349.519 2.033 20 30 EEEDMP Cn1c[nH+]cc1N1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277765163 1304369114 /nfs/dbraw/zinc/36/91/14/1304369114.db2.gz BOWFMIUBSXEIOP-LJQANCHMSA-N 2 1 338.459 2.123 20 30 EEEDMP C=CCCCC[N@@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001235274844 1305173482 /nfs/dbraw/zinc/17/34/82/1305173482.db2.gz PPCVQYIUIZZBFH-LSDHHAIUSA-N 2 1 334.382 2.360 20 30 EEEDMP C=CCCCC[N@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001235274844 1305173483 /nfs/dbraw/zinc/17/34/83/1305173483.db2.gz PPCVQYIUIZZBFH-LSDHHAIUSA-N 2 1 334.382 2.360 20 30 EEEDMP CCN(CC)c1ccc(C=[NH+]NCCC[NH+]2CCOCC2)cc1F ZINC000799486728 1305275782 /nfs/dbraw/zinc/27/57/82/1305275782.db2.gz MOCXNKOMKBABIB-UHFFFAOYSA-N 2 1 336.455 2.318 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCCCC1 ZINC001115731186 1305683728 /nfs/dbraw/zinc/68/37/28/1305683728.db2.gz ZHLPPQPMFGWHIU-QGZVFWFLSA-N 2 1 342.487 2.186 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCn2ccnc2)C1 ZINC001120458252 1309554891 /nfs/dbraw/zinc/55/48/91/1309554891.db2.gz DLKJSLDEFIGLHR-MOPGFXCFSA-N 2 1 342.487 2.390 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246304297 1310276973 /nfs/dbraw/zinc/27/69/73/1310276973.db2.gz MEJLFEFIKYUISC-ULQDDVLXSA-N 3 1 325.497 2.114 20 30 EEEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001122543195 1310326962 /nfs/dbraw/zinc/32/69/62/1310326962.db2.gz CIODGHUXKPRBET-SJORKVTESA-N 2 1 346.523 2.194 20 30 EEEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001122543195 1310326968 /nfs/dbraw/zinc/32/69/68/1310326968.db2.gz CIODGHUXKPRBET-SJORKVTESA-N 2 1 346.523 2.194 20 30 EEEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001122543195 1310326974 /nfs/dbraw/zinc/32/69/74/1310326974.db2.gz CIODGHUXKPRBET-SJORKVTESA-N 2 1 346.523 2.194 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001161248519 1320433863 /nfs/dbraw/zinc/43/38/63/1320433863.db2.gz AZMXNKLFWZCIFY-GOSISDBHSA-N 2 1 349.519 2.202 20 30 EEEDMP C[NH+](C)CCOc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001138768727 1314663657 /nfs/dbraw/zinc/66/36/57/1314663657.db2.gz CWUVPAKQLVMXOS-QGZVFWFLSA-N 2 1 332.469 2.401 20 30 EEEDMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001138768727 1314663660 /nfs/dbraw/zinc/66/36/60/1314663660.db2.gz CWUVPAKQLVMXOS-QGZVFWFLSA-N 2 1 332.469 2.401 20 30 EEEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001138768727 1314663665 /nfs/dbraw/zinc/66/36/65/1314663665.db2.gz CWUVPAKQLVMXOS-QGZVFWFLSA-N 2 1 332.469 2.401 20 30 EEEDMP CC[NH+](CC)CCN1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140110165 1314812329 /nfs/dbraw/zinc/81/23/29/1314812329.db2.gz BXFAKMQFBQEOPT-UHFFFAOYSA-N 2 1 339.487 2.499 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149863190 1316071804 /nfs/dbraw/zinc/07/18/04/1316071804.db2.gz YQLRFOIYEWAOCR-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149863190 1316071811 /nfs/dbraw/zinc/07/18/11/1316071811.db2.gz YQLRFOIYEWAOCR-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149863190 1316071818 /nfs/dbraw/zinc/07/18/18/1316071818.db2.gz YQLRFOIYEWAOCR-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150818047 1316384608 /nfs/dbraw/zinc/38/46/08/1316384608.db2.gz NFABLCBGQKARBG-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCCC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001151412380 1316526821 /nfs/dbraw/zinc/52/68/21/1316526821.db2.gz AXEAOXBKFRAMEG-UHFFFAOYSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001154013241 1316936195 /nfs/dbraw/zinc/93/61/95/1316936195.db2.gz ZFBQLGVHOUFRAH-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898556 1317375424 /nfs/dbraw/zinc/37/54/24/1317375424.db2.gz NOZUAVWDLBGNJT-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898556 1317375433 /nfs/dbraw/zinc/37/54/33/1317375433.db2.gz NOZUAVWDLBGNJT-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904506 1317377983 /nfs/dbraw/zinc/37/79/83/1317377983.db2.gz VKBXKWOFNGYBMK-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904506 1317377996 /nfs/dbraw/zinc/37/79/96/1317377996.db2.gz VKBXKWOFNGYBMK-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001155313716 1317547346 /nfs/dbraw/zinc/54/73/46/1317547346.db2.gz FQVMCKSQXNTBNS-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001252552646 1317634203 /nfs/dbraw/zinc/63/42/03/1317634203.db2.gz LDQACJASHKHNMY-FUHWJXTLSA-N 2 1 334.460 2.272 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC001158038138 1318980285 /nfs/dbraw/zinc/98/02/85/1318980285.db2.gz NHJWHECLTRWIAN-MOPGFXCFSA-N 2 1 340.471 2.029 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001159328172 1319741311 /nfs/dbraw/zinc/74/13/11/1319741311.db2.gz QDUMBUCFCUGYRE-GOSISDBHSA-N 2 1 328.460 2.029 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001161248931 1320433557 /nfs/dbraw/zinc/43/35/57/1320433557.db2.gz SHGJDUIWQYKREB-GOSISDBHSA-N 2 1 349.519 2.202 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161953293 1320692407 /nfs/dbraw/zinc/69/24/07/1320692407.db2.gz SBCSSGSJSLGNJE-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CC ZINC001162977707 1321003200 /nfs/dbraw/zinc/00/32/00/1321003200.db2.gz UKSBGWBMRRFTII-UHFFFAOYSA-N 2 1 329.488 2.012 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001164449217 1321381593 /nfs/dbraw/zinc/38/15/93/1321381593.db2.gz DXVKOXHTZSSEBA-LJQANCHMSA-N 2 1 342.487 2.276 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F)CC(C)(C)C ZINC001166744102 1321779227 /nfs/dbraw/zinc/77/92/27/1321779227.db2.gz HNZGBIVUIDIZSS-UHFFFAOYSA-N 2 1 348.466 2.271 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203824347 1321969080 /nfs/dbraw/zinc/96/90/80/1321969080.db2.gz ONKHCAQKYFIWKM-ROUUACIJSA-N 2 1 327.472 2.321 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203824347 1321969083 /nfs/dbraw/zinc/96/90/83/1321969083.db2.gz ONKHCAQKYFIWKM-ROUUACIJSA-N 2 1 327.472 2.321 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1c1ccc(F)cc1 ZINC001205318608 1322350064 /nfs/dbraw/zinc/35/00/64/1322350064.db2.gz ILTADBYOOIIRME-RBUKOAKNSA-N 2 1 345.462 2.075 20 30 EEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001205457871 1323145004 /nfs/dbraw/zinc/14/50/04/1323145004.db2.gz TULZNBGRUCSIQX-IBGZPJMESA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC/C=C\CC)CC1 ZINC001205479714 1323154820 /nfs/dbraw/zinc/15/48/20/1323154820.db2.gz ULVGHYXFLVLTST-VOFKWLDRSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC/C=C\CC)CC1 ZINC001205479714 1323154827 /nfs/dbraw/zinc/15/48/27/1323154827.db2.gz ULVGHYXFLVLTST-VOFKWLDRSA-N 2 1 331.504 2.269 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001206288450 1323447585 /nfs/dbraw/zinc/44/75/85/1323447585.db2.gz SJTWEXAQWYSPSG-UHFFFAOYSA-N 2 1 346.475 2.288 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206857846 1323634466 /nfs/dbraw/zinc/63/44/66/1323634466.db2.gz SVGQWQYYKQYIPQ-LJQANCHMSA-N 2 1 333.520 2.493 20 30 EEEDMP Cn1cc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)cc1C#N ZINC001207105322 1323851182 /nfs/dbraw/zinc/85/11/82/1323851182.db2.gz UKWKCZLWZVPIPN-MOPGFXCFSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1C#N ZINC001207105322 1323851193 /nfs/dbraw/zinc/85/11/93/1323851193.db2.gz UKWKCZLWZVPIPN-MOPGFXCFSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1C#N ZINC001207105322 1323851198 /nfs/dbraw/zinc/85/11/98/1323851198.db2.gz UKWKCZLWZVPIPN-MOPGFXCFSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1C#N ZINC001207105322 1323851207 /nfs/dbraw/zinc/85/12/07/1323851207.db2.gz UKWKCZLWZVPIPN-MOPGFXCFSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1C#N ZINC001207105322 1323851222 /nfs/dbraw/zinc/85/12/22/1323851222.db2.gz UKWKCZLWZVPIPN-MOPGFXCFSA-N 2 1 335.455 2.246 20 30 EEEDMP Cc1cc(Cl)nc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1C#N ZINC001210264252 1325221238 /nfs/dbraw/zinc/22/12/38/1325221238.db2.gz OOHFIARWYTVQRY-UHFFFAOYSA-N 2 1 328.807 2.463 20 30 EEEDMP N#Cc1c(F)cccc1C[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001580056955 1344461621 /nfs/dbraw/zinc/46/16/21/1344461621.db2.gz JFDQCNJOQHUSPF-UHFFFAOYSA-N 2 1 338.430 2.392 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135028332 1367996010 /nfs/dbraw/zinc/99/60/10/1367996010.db2.gz FXASVHCENHQLLP-DLBZAZTESA-N 2 1 338.455 2.116 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C)C[C@@H](C)O2 ZINC001098571211 1370983993 /nfs/dbraw/zinc/98/39/93/1370983993.db2.gz OCFACLTWTFFDAW-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001367830182 1374277938 /nfs/dbraw/zinc/27/79/38/1374277938.db2.gz HBRJNUQSFXWZMR-CRAIPNDOSA-N 2 1 330.476 2.081 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001367874167 1374293646 /nfs/dbraw/zinc/29/36/46/1374293646.db2.gz PICGJQBYTXJQEP-KSSFIOAISA-N 2 1 348.466 2.220 20 30 EEEDMP CCCC[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001369058950 1374488139 /nfs/dbraw/zinc/48/81/39/1374488139.db2.gz RZGMGKBDAIRUBF-RTBURBONSA-N 2 1 342.487 2.417 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001377414850 1379222332 /nfs/dbraw/zinc/22/23/32/1379222332.db2.gz NXRIZOQOSDPPFN-RTBURBONSA-N 2 1 342.487 2.225 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001382306848 1382061100 /nfs/dbraw/zinc/06/11/00/1382061100.db2.gz COBFCSRNZMWSFP-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC001752247842 1406242163 /nfs/dbraw/zinc/24/21/63/1406242163.db2.gz UXJJMXKEKFJDFS-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001752247842 1406242172 /nfs/dbraw/zinc/24/21/72/1406242172.db2.gz UXJJMXKEKFJDFS-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001752247842 1406242183 /nfs/dbraw/zinc/24/21/83/1406242183.db2.gz UXJJMXKEKFJDFS-IBGZPJMESA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC001753074359 1406665542 /nfs/dbraw/zinc/66/55/42/1406665542.db2.gz ISHJTASQOOVHTR-MRXNPFEDSA-N 2 1 345.462 2.280 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001400737299 1396565447 /nfs/dbraw/zinc/56/54/47/1396565447.db2.gz FKOQCPHINAKRGS-WMLDXEAASA-N 2 1 348.516 2.239 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001400737299 1396565450 /nfs/dbraw/zinc/56/54/50/1396565450.db2.gz FKOQCPHINAKRGS-WMLDXEAASA-N 2 1 348.516 2.239 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001401153834 1396990625 /nfs/dbraw/zinc/99/06/25/1396990625.db2.gz MMHBJCGPFNREDU-LPHOPBHVSA-N 2 1 342.487 2.275 20 30 EEEDMP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CCC)CC1 ZINC001754638581 1406937599 /nfs/dbraw/zinc/93/75/99/1406937599.db2.gz CYNDDZMRVOOALU-MJGOQNOKSA-N 2 1 331.504 2.340 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC001422751274 1400177231 /nfs/dbraw/zinc/17/72/31/1400177231.db2.gz BQBDTXNTBPAIGZ-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC001422751274 1400177238 /nfs/dbraw/zinc/17/72/38/1400177238.db2.gz BQBDTXNTBPAIGZ-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCOCC1 ZINC001755096563 1407109676 /nfs/dbraw/zinc/10/96/76/1407109676.db2.gz ZWFATQMEUKDNCX-QGZVFWFLSA-N 2 1 349.519 2.082 20 30 EEEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001755185052 1407189789 /nfs/dbraw/zinc/18/97/89/1407189789.db2.gz UDPOMYORJKXXBE-HDICACEKSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+](CC)CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001755185052 1407189795 /nfs/dbraw/zinc/18/97/95/1407189795.db2.gz UDPOMYORJKXXBE-HDICACEKSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+](CC)CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001755185052 1407189801 /nfs/dbraw/zinc/18/98/01/1407189801.db2.gz UDPOMYORJKXXBE-HDICACEKSA-N 2 1 333.520 2.443 20 30 EEEDMP N#Cc1ccsc1N1CC[C@H]([N@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)C1=O ZINC001580080665 1403821271 /nfs/dbraw/zinc/82/12/71/1403821271.db2.gz BBOVBGGNUOLNIG-MPGHIAIKSA-N 2 1 344.484 2.176 20 30 EEEDMP N#Cc1ccsc1N1CC[C@H]([N@@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)C1=O ZINC001580080665 1403821283 /nfs/dbraw/zinc/82/12/83/1403821283.db2.gz BBOVBGGNUOLNIG-MPGHIAIKSA-N 2 1 344.484 2.176 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001755369213 1407371865 /nfs/dbraw/zinc/37/18/65/1407371865.db2.gz WNGWWYNANQCSKM-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001755369213 1407371870 /nfs/dbraw/zinc/37/18/70/1407371870.db2.gz WNGWWYNANQCSKM-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001755711804 1407765977 /nfs/dbraw/zinc/76/59/77/1407765977.db2.gz IJXCAFJCDJMJCG-KZNAEPCWSA-N 2 1 330.476 2.374 20 30 EEEDMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC001772051602 1410026882 /nfs/dbraw/zinc/02/68/82/1410026882.db2.gz QZAZQMHHICPAQW-ZWKOTPCHSA-N 2 1 345.487 2.202 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](F)CC)[C@@H]2CC)CC1 ZINC001087840378 782348785 /nfs/dbraw/zinc/34/87/85/782348785.db2.gz VMEUNFBGZUMDNB-OKZBNKHCSA-N 2 1 337.483 2.049 20 30 EEEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167425845 758350028 /nfs/dbraw/zinc/35/00/28/758350028.db2.gz LSPRTSONZCWCHS-QZTJIDSGSA-N 2 1 349.519 2.082 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075449444 760423917 /nfs/dbraw/zinc/42/39/17/760423917.db2.gz JDXUUYGPSHRAIF-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449444 760423924 /nfs/dbraw/zinc/42/39/24/760423924.db2.gz JDXUUYGPSHRAIF-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075449444 760423929 /nfs/dbraw/zinc/42/39/29/760423929.db2.gz JDXUUYGPSHRAIF-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461826 760942067 /nfs/dbraw/zinc/94/20/67/760942067.db2.gz SCSHJHNETNQGDS-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461826 760942074 /nfs/dbraw/zinc/94/20/74/760942074.db2.gz SCSHJHNETNQGDS-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461826 760942079 /nfs/dbraw/zinc/94/20/79/760942079.db2.gz SCSHJHNETNQGDS-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)[C@@H](C)C2)CC1 ZINC000948069223 770982185 /nfs/dbraw/zinc/98/21/85/770982185.db2.gz DMINGSABINYWAF-QFBILLFUSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107166 782922476 /nfs/dbraw/zinc/92/24/76/782922476.db2.gz KNABQAJMLWDQLX-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107166 782922480 /nfs/dbraw/zinc/92/24/80/782922480.db2.gz KNABQAJMLWDQLX-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)[C@@H](C)C2)CC1 ZINC000948070901 773473277 /nfs/dbraw/zinc/47/32/77/773473277.db2.gz SZWCLPDMZJDFMU-FXAWDEMLSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980151542 773958711 /nfs/dbraw/zinc/95/87/11/773958711.db2.gz CYELDJFRWLLEDN-CGTJXYLNSA-N 2 1 343.471 2.195 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997641725 790512239 /nfs/dbraw/zinc/51/22/39/790512239.db2.gz JLDGBJZJEIPQCK-GOEBONIOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997641725 790512247 /nfs/dbraw/zinc/51/22/47/790512247.db2.gz JLDGBJZJEIPQCK-GOEBONIOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040912549 777330677 /nfs/dbraw/zinc/33/06/77/777330677.db2.gz QHGRDQLSMCYHFD-MRXNPFEDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000981420717 777359157 /nfs/dbraw/zinc/35/91/57/777359157.db2.gz HRJUUPDSVQEWNV-DLBZAZTESA-N 2 1 339.443 2.474 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028138752 778354567 /nfs/dbraw/zinc/35/45/67/778354567.db2.gz BDGVLQOPMOWLJU-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028138752 778354570 /nfs/dbraw/zinc/35/45/70/778354570.db2.gz BDGVLQOPMOWLJU-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089858449 778465628 /nfs/dbraw/zinc/46/56/28/778465628.db2.gz AVOBTIRLTHXTIR-RDGPPVDQSA-N 2 1 345.531 2.463 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001089858449 778465630 /nfs/dbraw/zinc/46/56/30/778465630.db2.gz AVOBTIRLTHXTIR-RDGPPVDQSA-N 2 1 345.531 2.463 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001089858449 778465632 /nfs/dbraw/zinc/46/56/32/778465632.db2.gz AVOBTIRLTHXTIR-RDGPPVDQSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001087437429 778815687 /nfs/dbraw/zinc/81/56/87/778815687.db2.gz RDXJACKLWMZETB-MISYRCLQSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001087437429 778815692 /nfs/dbraw/zinc/81/56/92/778815692.db2.gz RDXJACKLWMZETB-MISYRCLQSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001087437429 778815695 /nfs/dbraw/zinc/81/56/95/778815695.db2.gz RDXJACKLWMZETB-MISYRCLQSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001087437429 778815709 /nfs/dbraw/zinc/81/57/09/778815709.db2.gz RDXJACKLWMZETB-MISYRCLQSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211707155 779206002 /nfs/dbraw/zinc/20/60/02/779206002.db2.gz DLXZXETUPFIARJ-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283283 779531556 /nfs/dbraw/zinc/53/15/56/779531556.db2.gz QEQJAJWOCNWTEX-LFGUQSLTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283283 779531559 /nfs/dbraw/zinc/53/15/59/779531559.db2.gz QEQJAJWOCNWTEX-LFGUQSLTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283283 779531566 /nfs/dbraw/zinc/53/15/66/779531566.db2.gz QEQJAJWOCNWTEX-LFGUQSLTSA-N 2 1 333.520 2.463 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982299371 779625088 /nfs/dbraw/zinc/62/50/88/779625088.db2.gz DVGSZLUKIGLIAC-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982299371 779625089 /nfs/dbraw/zinc/62/50/89/779625089.db2.gz DVGSZLUKIGLIAC-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982299371 779625091 /nfs/dbraw/zinc/62/50/91/779625091.db2.gz DVGSZLUKIGLIAC-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149397447 790807207 /nfs/dbraw/zinc/80/72/07/790807207.db2.gz BTXWTZMPDHHRIH-ZWKOTPCHSA-N 2 1 339.524 2.258 20 30 EEEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001035571722 784706139 /nfs/dbraw/zinc/70/61/39/784706139.db2.gz HQEXQDYQCGGPIK-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001035571722 784706146 /nfs/dbraw/zinc/70/61/46/784706146.db2.gz HQEXQDYQCGGPIK-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001035571722 784706153 /nfs/dbraw/zinc/70/61/53/784706153.db2.gz HQEXQDYQCGGPIK-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001035571722 784706161 /nfs/dbraw/zinc/70/61/61/784706161.db2.gz HQEXQDYQCGGPIK-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1 ZINC000995919488 785818576 /nfs/dbraw/zinc/81/85/76/785818576.db2.gz CPAKXHHKZOPDQX-OALUTQOASA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1 ZINC000995919488 785818585 /nfs/dbraw/zinc/81/85/85/785818585.db2.gz CPAKXHHKZOPDQX-OALUTQOASA-N 2 1 343.515 2.411 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001109726224 805902625 /nfs/dbraw/zinc/90/26/25/805902625.db2.gz KWEJESLMANGTTG-AABGKKOBSA-N 2 1 341.499 2.459 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001109726224 805902632 /nfs/dbraw/zinc/90/26/32/805902632.db2.gz KWEJESLMANGTTG-AABGKKOBSA-N 2 1 341.499 2.459 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109726224 805902637 /nfs/dbraw/zinc/90/26/37/805902637.db2.gz KWEJESLMANGTTG-AABGKKOBSA-N 2 1 341.499 2.459 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109726224 805902643 /nfs/dbraw/zinc/90/26/43/805902643.db2.gz KWEJESLMANGTTG-AABGKKOBSA-N 2 1 341.499 2.459 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991474945 789021770 /nfs/dbraw/zinc/02/17/70/789021770.db2.gz ROFDSONWANNFGE-ICSRJNTNSA-N 2 1 336.439 2.393 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941975 789560963 /nfs/dbraw/zinc/56/09/63/789560963.db2.gz PEEHEGKWVNAWBC-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107941975 789560974 /nfs/dbraw/zinc/56/09/74/789560974.db2.gz PEEHEGKWVNAWBC-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107941975 789560981 /nfs/dbraw/zinc/56/09/81/789560981.db2.gz PEEHEGKWVNAWBC-IEBWSBKVSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031769 791859421 /nfs/dbraw/zinc/85/94/21/791859421.db2.gz SFUXTSDQZZORQO-ROUUACIJSA-N 2 1 342.487 2.487 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031769 791859427 /nfs/dbraw/zinc/85/94/27/791859427.db2.gz SFUXTSDQZZORQO-ROUUACIJSA-N 2 1 342.487 2.487 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000998195853 792200586 /nfs/dbraw/zinc/20/05/86/792200586.db2.gz IDMGTZWDUFROFO-LJQANCHMSA-N 2 1 333.520 2.443 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089928659 792574900 /nfs/dbraw/zinc/57/49/00/792574900.db2.gz LLRYFQDNQYVBQX-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089928659 792574907 /nfs/dbraw/zinc/57/49/07/792574907.db2.gz LLRYFQDNQYVBQX-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089928659 792574909 /nfs/dbraw/zinc/57/49/09/792574909.db2.gz LLRYFQDNQYVBQX-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@H]12 ZINC000992143461 792903048 /nfs/dbraw/zinc/90/30/48/792903048.db2.gz DOQJIDLUJZYYNV-VDZJLULYSA-N 2 1 328.460 2.053 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@H]12 ZINC000992143461 792903056 /nfs/dbraw/zinc/90/30/56/792903056.db2.gz DOQJIDLUJZYYNV-VDZJLULYSA-N 2 1 328.460 2.053 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939626 793027758 /nfs/dbraw/zinc/02/77/58/793027758.db2.gz VZQBNENXVMVDAQ-OTWHNJEPSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001086932481 793067037 /nfs/dbraw/zinc/06/70/37/793067037.db2.gz MAOQHJLJZXTICN-MRXNPFEDSA-N 2 1 330.476 2.471 20 30 EEEDMP N#Cc1cc(Br)ccc1-c1noc([C@@H]([NH3+])CCC[NH3+])n1 ZINC001247503794 793456504 /nfs/dbraw/zinc/45/65/04/793456504.db2.gz PKXWIIUWPMVIIH-NSHDSACASA-N 2 1 336.193 2.109 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091960278 793464212 /nfs/dbraw/zinc/46/42/12/793464212.db2.gz TYZUERYEDAVLRJ-APWZRJJASA-N 2 1 331.460 2.311 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](F)CC)CC2 ZINC001040731842 794286435 /nfs/dbraw/zinc/28/64/35/794286435.db2.gz QVOXBEWMIPGLSN-MSOLQXFVSA-N 2 1 349.494 2.147 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1ccccc1F ZINC001079295524 794566040 /nfs/dbraw/zinc/56/60/40/794566040.db2.gz LNNMKGRZWTWOQH-IIHSZXCVSA-N 2 1 345.462 2.236 20 30 EEEDMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999682141 794776022 /nfs/dbraw/zinc/77/60/22/794776022.db2.gz LOSHKVATHJFATD-NFOMZHRRSA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759376 794834139 /nfs/dbraw/zinc/83/41/39/794834139.db2.gz KZJSOHCMQDPUPH-HOTGVXAUSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759375 794834187 /nfs/dbraw/zinc/83/41/87/794834187.db2.gz KZJSOHCMQDPUPH-CVEARBPZSA-N 2 1 337.895 2.290 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801352 795079370 /nfs/dbraw/zinc/07/93/70/795079370.db2.gz KFEQESFJNHXQGG-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801352 795079375 /nfs/dbraw/zinc/07/93/75/795079375.db2.gz KFEQESFJNHXQGG-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093381092 795120634 /nfs/dbraw/zinc/12/06/34/795120634.db2.gz GOJCLIYYKHQTAC-FXAWDEMLSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001093381092 795120638 /nfs/dbraw/zinc/12/06/38/795120638.db2.gz GOJCLIYYKHQTAC-FXAWDEMLSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001093381092 795120642 /nfs/dbraw/zinc/12/06/42/795120642.db2.gz GOJCLIYYKHQTAC-FXAWDEMLSA-N 2 1 343.515 2.055 20 30 EEEDMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972040 797176272 /nfs/dbraw/zinc/17/62/72/797176272.db2.gz VXOMEJQWQOIEIR-OAGGEKHMSA-N 2 1 336.480 2.352 20 30 EEEDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172992814 797202599 /nfs/dbraw/zinc/20/25/99/797202599.db2.gz FVJALPSIBMZCRP-TWMKSMIVSA-N 2 1 348.491 2.162 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401549 798383586 /nfs/dbraw/zinc/38/35/86/798383586.db2.gz VFIODIKJKDABIX-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401549 798383588 /nfs/dbraw/zinc/38/35/88/798383588.db2.gz VFIODIKJKDABIX-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401549 798383595 /nfs/dbraw/zinc/38/35/95/798383595.db2.gz VFIODIKJKDABIX-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563773 798497577 /nfs/dbraw/zinc/49/75/77/798497577.db2.gz HGUCJLMSKIUAKW-APWZRJJASA-N 2 1 342.487 2.275 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014119 798611014 /nfs/dbraw/zinc/61/10/14/798611014.db2.gz FBVPLSPKPLMHRT-QRVBRYPASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014119 798611017 /nfs/dbraw/zinc/61/10/17/798611017.db2.gz FBVPLSPKPLMHRT-QRVBRYPASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014119 798611019 /nfs/dbraw/zinc/61/10/19/798611019.db2.gz FBVPLSPKPLMHRT-QRVBRYPASA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085032901 798625301 /nfs/dbraw/zinc/62/53/01/798625301.db2.gz HKXRXIJQMIOPER-LMMKCTJWSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085032901 798625303 /nfs/dbraw/zinc/62/53/03/798625303.db2.gz HKXRXIJQMIOPER-LMMKCTJWSA-N 2 1 342.487 2.253 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001003056771 799141178 /nfs/dbraw/zinc/14/11/78/799141178.db2.gz SKURNAVMUHGYCK-IBGZPJMESA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001003056771 799141179 /nfs/dbraw/zinc/14/11/79/799141179.db2.gz SKURNAVMUHGYCK-IBGZPJMESA-N 2 1 343.446 2.004 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001178045256 799228731 /nfs/dbraw/zinc/22/87/31/799228731.db2.gz HLXNLIDZGYVTHC-IBGZPJMESA-N 2 1 342.487 2.419 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001179153188 799804173 /nfs/dbraw/zinc/80/41/73/799804173.db2.gz BAEPYAIHKZSBQH-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001179420521 799926925 /nfs/dbraw/zinc/92/69/25/799926925.db2.gz NAEVSNURRUQAAB-LESCRADOSA-N 2 1 330.476 2.299 20 30 EEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179591227 799997722 /nfs/dbraw/zinc/99/77/22/799997722.db2.gz QBICYVZRWZPWNI-IBGZPJMESA-N 2 1 339.499 2.488 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181467691 800798077 /nfs/dbraw/zinc/79/80/77/800798077.db2.gz AWCULRNUVWXRCW-DBXWQHBBSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001181565880 800843565 /nfs/dbraw/zinc/84/35/65/800843565.db2.gz RYZXPEUMFWQUHF-DKSSEZFCSA-N 2 1 345.491 2.050 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001181565880 800843572 /nfs/dbraw/zinc/84/35/72/800843572.db2.gz RYZXPEUMFWQUHF-DKSSEZFCSA-N 2 1 345.491 2.050 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001181736023 800899798 /nfs/dbraw/zinc/89/97/98/800899798.db2.gz GKFVATXKSWFVLX-CXAGYDPISA-N 2 1 327.900 2.297 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001183391856 801583719 /nfs/dbraw/zinc/58/37/19/801583719.db2.gz RXGJZBKCTKVMAB-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591108 801597168 /nfs/dbraw/zinc/59/71/68/801597168.db2.gz OCTFONDJIIKIAP-RDGPPVDQSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946591108 801597174 /nfs/dbraw/zinc/59/71/74/801597174.db2.gz OCTFONDJIIKIAP-RDGPPVDQSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591108 801597177 /nfs/dbraw/zinc/59/71/77/801597177.db2.gz OCTFONDJIIKIAP-RDGPPVDQSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001004471491 802159976 /nfs/dbraw/zinc/15/99/76/802159976.db2.gz XCDSYDQGICXGJF-LJQANCHMSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946616136 802175410 /nfs/dbraw/zinc/17/54/10/802175410.db2.gz WUCCGOSBSQEHRD-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616136 802175415 /nfs/dbraw/zinc/17/54/15/802175415.db2.gz WUCCGOSBSQEHRD-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616136 802175420 /nfs/dbraw/zinc/17/54/20/802175420.db2.gz WUCCGOSBSQEHRD-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004569054 802388832 /nfs/dbraw/zinc/38/88/32/802388832.db2.gz OZDQPVGWSNIQFL-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004595013 802447720 /nfs/dbraw/zinc/44/77/20/802447720.db2.gz DZOSKDYUFKTZSF-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595013 802447723 /nfs/dbraw/zinc/44/77/23/802447723.db2.gz DZOSKDYUFKTZSF-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595013 802447728 /nfs/dbraw/zinc/44/77/28/802447728.db2.gz DZOSKDYUFKTZSF-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001108283474 803157280 /nfs/dbraw/zinc/15/72/80/803157280.db2.gz DOOCLJLNEVZKEL-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001108283474 803157282 /nfs/dbraw/zinc/15/72/82/803157282.db2.gz DOOCLJLNEVZKEL-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001108283474 803157286 /nfs/dbraw/zinc/15/72/86/803157286.db2.gz DOOCLJLNEVZKEL-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001113265807 808602453 /nfs/dbraw/zinc/60/24/53/808602453.db2.gz BKXOVVBIPIFNCH-NVXWUHKLSA-N 2 1 330.476 2.253 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001129418538 810832167 /nfs/dbraw/zinc/83/21/67/810832167.db2.gz ULXQEBQYVMNQDB-LJQANCHMSA-N 2 1 327.472 2.007 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)s1 ZINC001129430742 810850354 /nfs/dbraw/zinc/85/03/54/810850354.db2.gz WWZKLWRANREHDW-QGZVFWFLSA-N 2 1 346.500 2.233 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001130425398 811620607 /nfs/dbraw/zinc/62/06/07/811620607.db2.gz XTLLUIFWQUGIKV-UHFFFAOYSA-N 2 1 335.879 2.128 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CCCC[NH+](C)C)C1 ZINC001130444149 811650667 /nfs/dbraw/zinc/65/06/67/811650667.db2.gz ZWWWSPDQTKEFLW-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=CCCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001130450636 811683007 /nfs/dbraw/zinc/68/30/07/811683007.db2.gz RNYUZCYBNMTLCI-MRXNPFEDSA-N 2 1 347.507 2.122 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130450636 811683010 /nfs/dbraw/zinc/68/30/10/811683010.db2.gz RNYUZCYBNMTLCI-MRXNPFEDSA-N 2 1 347.507 2.122 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130450636 811683016 /nfs/dbraw/zinc/68/30/16/811683016.db2.gz RNYUZCYBNMTLCI-MRXNPFEDSA-N 2 1 347.507 2.122 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CCCC2)C1 ZINC001438613657 1091103128 /nfs/dbraw/zinc/10/31/28/1091103128.db2.gz RHNSEQFZHWNDJK-SFHVURJKSA-N 2 1 340.471 2.029 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001495574321 1101283750 /nfs/dbraw/zinc/28/37/50/1101283750.db2.gz XJBWZNRWCPJMDJ-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001496078567 1102021085 /nfs/dbraw/zinc/02/10/85/1102021085.db2.gz IISNRPLEMMZDOS-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157112570 206115803 /nfs/dbraw/zinc/11/58/03/206115803.db2.gz ZMRDARHTKBNCOH-OALUTQOASA-N 2 1 343.471 2.248 20 30 EEEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157112570 206115807 /nfs/dbraw/zinc/11/58/07/206115807.db2.gz ZMRDARHTKBNCOH-OALUTQOASA-N 2 1 343.471 2.248 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)cc1 ZINC000129860372 292364165 /nfs/dbraw/zinc/36/41/65/292364165.db2.gz WMKJCYFCYAUYDD-GOSISDBHSA-N 2 1 343.475 2.438 20 30 EEEDMP CC(C)(CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000104167189 277294782 /nfs/dbraw/zinc/29/47/82/277294782.db2.gz FNWHYNGWPDFXIU-UHFFFAOYSA-N 2 1 332.517 2.187 20 30 EEEDMP CC(C)(CNC(=[NH2+])N1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000104167189 277294783 /nfs/dbraw/zinc/29/47/83/277294783.db2.gz FNWHYNGWPDFXIU-UHFFFAOYSA-N 2 1 332.517 2.187 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(F)F)cc1 ZINC000264070930 464279883 /nfs/dbraw/zinc/27/98/83/464279883.db2.gz GDDXFGRFTQGHPI-CYBMUJFWSA-N 2 1 326.391 2.177 20 30 EEEDMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC2CCCC2)[C@@H]1c1ccccc1 ZINC000285023346 464428852 /nfs/dbraw/zinc/42/88/52/464428852.db2.gz JHJDMDNHHXQRCV-ROUUACIJSA-N 2 1 330.476 2.295 20 30 EEEDMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])NC2CCCC2)[C@@H]1c1ccccc1 ZINC000285023346 464428855 /nfs/dbraw/zinc/42/88/55/464428855.db2.gz JHJDMDNHHXQRCV-ROUUACIJSA-N 2 1 330.476 2.295 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(F)cccc1N1CCCC1 ZINC000285038788 464435323 /nfs/dbraw/zinc/43/53/23/464435323.db2.gz KHKSQVOWROLYNL-HNNXBMFYSA-N 2 1 347.482 2.315 20 30 EEEDMP C=CCN1CC[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000281405667 464441686 /nfs/dbraw/zinc/44/16/86/464441686.db2.gz QUHZDDKKHLDSPK-QGZVFWFLSA-N 2 1 328.460 2.186 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000576391689 468164690 /nfs/dbraw/zinc/16/46/90/468164690.db2.gz VGDJRZXHXLWHSW-RBUKOAKNSA-N 2 1 345.487 2.202 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2)CCO1 ZINC000598720349 468973103 /nfs/dbraw/zinc/97/31/03/468973103.db2.gz MTQLLCCRCBAKTK-APWZRJJASA-N 2 1 345.487 2.298 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2)CCO1 ZINC000598720349 468973108 /nfs/dbraw/zinc/97/31/08/468973108.db2.gz MTQLLCCRCBAKTK-APWZRJJASA-N 2 1 345.487 2.298 20 30 EEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634712790 470284700 /nfs/dbraw/zinc/28/47/00/470284700.db2.gz LWUURNOHVCUTIH-AABGKKOBSA-N 2 1 330.472 2.194 20 30 EEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712790 470284701 /nfs/dbraw/zinc/28/47/01/470284701.db2.gz LWUURNOHVCUTIH-AABGKKOBSA-N 2 1 330.472 2.194 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654431580 471956671 /nfs/dbraw/zinc/95/66/71/471956671.db2.gz REEMBODPIBDICG-QZTJIDSGSA-N 2 1 334.508 2.343 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001039249543 676266593 /nfs/dbraw/zinc/26/65/93/676266593.db2.gz BIVJHEWPXXCLTF-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021683587 676339763 /nfs/dbraw/zinc/33/97/63/676339763.db2.gz ZWEOEKPKPDKBBC-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021683587 676339764 /nfs/dbraw/zinc/33/97/64/676339764.db2.gz ZWEOEKPKPDKBBC-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024021272 679765097 /nfs/dbraw/zinc/76/50/97/679765097.db2.gz BRMXASINNOZAHF-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024021272 679765098 /nfs/dbraw/zinc/76/50/98/679765098.db2.gz BRMXASINNOZAHF-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001026893999 685259813 /nfs/dbraw/zinc/25/98/13/685259813.db2.gz SZGBBOAUULPWGI-MJGOQNOKSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001026893999 685259819 /nfs/dbraw/zinc/25/98/19/685259819.db2.gz SZGBBOAUULPWGI-MJGOQNOKSA-N 2 1 343.515 2.102 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001024448692 679909559 /nfs/dbraw/zinc/90/95/59/679909559.db2.gz VTBZNZDACNGYTI-QAPCUYQASA-N 2 1 345.491 2.337 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001028600825 681347405 /nfs/dbraw/zinc/34/74/05/681347405.db2.gz DYSUHQDAVDGBTE-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001028600825 681347408 /nfs/dbraw/zinc/34/74/08/681347408.db2.gz DYSUHQDAVDGBTE-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001028600825 681347412 /nfs/dbraw/zinc/34/74/12/681347412.db2.gz DYSUHQDAVDGBTE-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001028600825 681347417 /nfs/dbraw/zinc/34/74/17/681347417.db2.gz DYSUHQDAVDGBTE-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001028600825 681347420 /nfs/dbraw/zinc/34/74/20/681347420.db2.gz DYSUHQDAVDGBTE-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982833141 681354985 /nfs/dbraw/zinc/35/49/85/681354985.db2.gz CTRPOSKJOFALOW-YSIASYRMSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCC(=C)C)CC1 ZINC001024813346 681466071 /nfs/dbraw/zinc/46/60/71/681466071.db2.gz ZWJZUEXEOQEUQV-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028542068 681865462 /nfs/dbraw/zinc/86/54/62/681865462.db2.gz KWCGINFOYODDOH-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028542068 681865467 /nfs/dbraw/zinc/86/54/67/681865467.db2.gz KWCGINFOYODDOH-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028542068 681865473 /nfs/dbraw/zinc/86/54/73/681865473.db2.gz KWCGINFOYODDOH-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755577 682109925 /nfs/dbraw/zinc/10/99/25/682109925.db2.gz QISJQUDCSQYPIG-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755577 682109926 /nfs/dbraw/zinc/10/99/26/682109926.db2.gz QISJQUDCSQYPIG-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755577 682109928 /nfs/dbraw/zinc/10/99/28/682109928.db2.gz QISJQUDCSQYPIG-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817753 682282245 /nfs/dbraw/zinc/28/22/45/682282245.db2.gz GGHOWAOOOPTVTO-RLLQIKCJSA-N 2 1 341.499 2.346 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817753 682282246 /nfs/dbraw/zinc/28/22/46/682282246.db2.gz GGHOWAOOOPTVTO-RLLQIKCJSA-N 2 1 341.499 2.346 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817753 682282250 /nfs/dbraw/zinc/28/22/50/682282250.db2.gz GGHOWAOOOPTVTO-RLLQIKCJSA-N 2 1 341.499 2.346 20 30 EEEDMP C=CC[NH2+]C1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001026584036 684760558 /nfs/dbraw/zinc/76/05/58/684760558.db2.gz LVEHBQNXERNBIV-UHFFFAOYSA-N 2 1 325.416 2.084 20 30 EEEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCSCC2)[C@@H]1c1cccs1 ZINC000262519237 686800758 /nfs/dbraw/zinc/80/07/58/686800758.db2.gz HUAJXOFLSODDMK-UKRRQHHQSA-N 2 1 338.546 2.495 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001029766623 687034781 /nfs/dbraw/zinc/03/47/81/687034781.db2.gz FHXJQWZPJAMJSA-RTBURBONSA-N 2 1 342.487 2.179 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027446914 692113452 /nfs/dbraw/zinc/11/34/52/692113452.db2.gz XJQUNIJULPTDET-MOPGFXCFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027446914 692113456 /nfs/dbraw/zinc/11/34/56/692113456.db2.gz XJQUNIJULPTDET-MOPGFXCFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027446914 692113460 /nfs/dbraw/zinc/11/34/60/692113460.db2.gz XJQUNIJULPTDET-MOPGFXCFSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027446914 692113463 /nfs/dbraw/zinc/11/34/63/692113463.db2.gz XJQUNIJULPTDET-MOPGFXCFSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001088368627 1186683850 /nfs/dbraw/zinc/68/38/50/1186683850.db2.gz OLGGPUFDJUVXNX-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001088368627 1186683853 /nfs/dbraw/zinc/68/38/53/1186683853.db2.gz OLGGPUFDJUVXNX-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365492 1194480476 /nfs/dbraw/zinc/48/04/76/1194480476.db2.gz NRFMBEVPLBQHDC-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365492 1194480477 /nfs/dbraw/zinc/48/04/77/1194480477.db2.gz NRFMBEVPLBQHDC-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365492 1194480480 /nfs/dbraw/zinc/48/04/80/1194480480.db2.gz NRFMBEVPLBQHDC-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365492 1194480483 /nfs/dbraw/zinc/48/04/83/1194480483.db2.gz NRFMBEVPLBQHDC-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415741 1194536664 /nfs/dbraw/zinc/53/66/64/1194536664.db2.gz KGIKNIRFRBCVJV-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033415741 1194536668 /nfs/dbraw/zinc/53/66/68/1194536668.db2.gz KGIKNIRFRBCVJV-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033415741 1194536672 /nfs/dbraw/zinc/53/66/72/1194536672.db2.gz KGIKNIRFRBCVJV-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033440476 1194571678 /nfs/dbraw/zinc/57/16/78/1194571678.db2.gz PYPOTHDFCDHVMO-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033440476 1194571680 /nfs/dbraw/zinc/57/16/80/1194571680.db2.gz PYPOTHDFCDHVMO-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033440476 1194571683 /nfs/dbraw/zinc/57/16/83/1194571683.db2.gz PYPOTHDFCDHVMO-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033836756 1195354328 /nfs/dbraw/zinc/35/43/28/1195354328.db2.gz JKIJRKOFMLJPIF-FGTMMUONSA-N 2 1 342.487 2.263 20 30 EEEDMP C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033836756 1195354333 /nfs/dbraw/zinc/35/43/33/1195354333.db2.gz JKIJRKOFMLJPIF-FGTMMUONSA-N 2 1 342.487 2.263 20 30 EEEDMP C=C(Cl)CN1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034364390 1196153894 /nfs/dbraw/zinc/15/38/94/1196153894.db2.gz UBVFMFTVSJYVMM-JYJNAYRXSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034364390 1196153900 /nfs/dbraw/zinc/15/39/00/1196153900.db2.gz UBVFMFTVSJYVMM-JYJNAYRXSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034364390 1196153905 /nfs/dbraw/zinc/15/39/05/1196153905.db2.gz UBVFMFTVSJYVMM-JYJNAYRXSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034364390 1196153907 /nfs/dbraw/zinc/15/39/07/1196153907.db2.gz UBVFMFTVSJYVMM-JYJNAYRXSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034364390 1196153909 /nfs/dbraw/zinc/15/39/09/1196153909.db2.gz UBVFMFTVSJYVMM-JYJNAYRXSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001034963194 1196944640 /nfs/dbraw/zinc/94/46/40/1196944640.db2.gz SLGXPQLRHAQTHD-MOPGFXCFSA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001034963194 1196944644 /nfs/dbraw/zinc/94/46/44/1196944644.db2.gz SLGXPQLRHAQTHD-MOPGFXCFSA-N 2 1 343.446 2.004 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132125594 1199331481 /nfs/dbraw/zinc/33/14/81/1199331481.db2.gz XDUXSMOWTAFVSI-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132154322 1199367064 /nfs/dbraw/zinc/36/70/64/1199367064.db2.gz YROLQVSYXHOVAS-RDJZCZTQSA-N 2 1 342.443 2.120 20 30 EEEDMP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134613576 1199690424 /nfs/dbraw/zinc/69/04/24/1199690424.db2.gz WEVMYWCWRNKTBH-JKSUJKDBSA-N 2 1 342.487 2.415 20 30 EEEDMP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607829 1199700110 /nfs/dbraw/zinc/70/01/10/1199700110.db2.gz MFNDXNWYCPUIOI-UONOGXRCSA-N 2 1 348.516 2.477 20 30 EEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275708013 1205492921 /nfs/dbraw/zinc/49/29/21/1205492921.db2.gz FPZDYYUGUPYOSZ-OALUTQOASA-N 2 1 329.488 2.462 20 30 EEEDMP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000931485932 1207394325 /nfs/dbraw/zinc/39/43/25/1207394325.db2.gz SXUSSEJPZCLLFT-UHFFFAOYSA-N 2 1 339.386 2.048 20 30 EEEDMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001111036504 1207635890 /nfs/dbraw/zinc/63/58/90/1207635890.db2.gz ZBSVCCROZUCOIU-YRXWBPOGSA-N 2 1 340.471 2.120 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948726582 1209329984 /nfs/dbraw/zinc/32/99/84/1209329984.db2.gz VEOIOXLAJZCLKF-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948726582 1209329988 /nfs/dbraw/zinc/32/99/88/1209329988.db2.gz VEOIOXLAJZCLKF-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948779233 1209370391 /nfs/dbraw/zinc/37/03/91/1209370391.db2.gz LMYHVUOOGIYEAF-MSOLQXFVSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948779233 1209370395 /nfs/dbraw/zinc/37/03/95/1209370395.db2.gz LMYHVUOOGIYEAF-MSOLQXFVSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000948954977 1209472936 /nfs/dbraw/zinc/47/29/36/1209472936.db2.gz RIKGBWBMXVCZNA-FQEVSTJZSA-N 2 1 339.483 2.067 20 30 EEEDMP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000948954977 1209472938 /nfs/dbraw/zinc/47/29/38/1209472938.db2.gz RIKGBWBMXVCZNA-FQEVSTJZSA-N 2 1 339.483 2.067 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000949529368 1209729521 /nfs/dbraw/zinc/72/95/21/1209729521.db2.gz QNBBBEZVXKDCMJ-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000303778916 1213905511 /nfs/dbraw/zinc/90/55/11/1213905511.db2.gz KCBSIQYKOGLOMA-RBUKOAKNSA-N 3 1 345.535 2.458 20 30 EEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000303778916 1213905520 /nfs/dbraw/zinc/90/55/20/1213905520.db2.gz KCBSIQYKOGLOMA-RBUKOAKNSA-N 3 1 345.535 2.458 20 30 EEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603036 1215248737 /nfs/dbraw/zinc/24/87/37/1215248737.db2.gz LUVLUULLVWGJRP-ZWKOTPCHSA-N 2 1 333.520 2.465 20 30 EEEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304516224 1216057784 /nfs/dbraw/zinc/05/77/84/1216057784.db2.gz VRVIUFUAZMYAQE-ZDUSSCGKSA-N 2 1 344.381 2.331 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(O)ccc2c1CCCC2 ZINC000304810581 1216106950 /nfs/dbraw/zinc/10/69/50/1216106950.db2.gz WMCJSSTUNFJCRB-OAHLLOKOSA-N 2 1 330.476 2.160 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000960311022 1216485900 /nfs/dbraw/zinc/48/59/00/1216485900.db2.gz RWGSIZWRMQJDFL-VAMGGRTRSA-N 2 1 339.483 2.254 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000960311022 1216485903 /nfs/dbraw/zinc/48/59/03/1216485903.db2.gz RWGSIZWRMQJDFL-VAMGGRTRSA-N 2 1 339.483 2.254 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Cc1ccc(OC)cc1 ZINC000305701459 1216989792 /nfs/dbraw/zinc/98/97/92/1216989792.db2.gz PRBTWUIBFSVIDS-NVXWUHKLSA-N 2 1 332.492 2.262 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961206466 1217089164 /nfs/dbraw/zinc/08/91/64/1217089164.db2.gz DVLIUIKAYKMXEC-DLBZAZTESA-N 2 1 336.439 2.142 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961220269 1217095121 /nfs/dbraw/zinc/09/51/21/1217095121.db2.gz KICZACFPSBFTFO-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961412666 1217180248 /nfs/dbraw/zinc/18/02/48/1217180248.db2.gz UIJAMMPUWYUOHZ-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000963426881 1217620790 /nfs/dbraw/zinc/62/07/90/1217620790.db2.gz DDXNKQXDDZODOE-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000963833039 1218063259 /nfs/dbraw/zinc/06/32/59/1218063259.db2.gz KNQCCKSTWCMKNX-DAWZGUTISA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000963833039 1218063264 /nfs/dbraw/zinc/06/32/64/1218063264.db2.gz KNQCCKSTWCMKNX-DAWZGUTISA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967311943 1220403310 /nfs/dbraw/zinc/40/33/10/1220403310.db2.gz LHVCITKFEUZCMA-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887411 1221646942 /nfs/dbraw/zinc/64/69/42/1221646942.db2.gz DFTKSNNXRBEPAO-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887411 1221646945 /nfs/dbraw/zinc/64/69/45/1221646945.db2.gz DFTKSNNXRBEPAO-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968887411 1221646947 /nfs/dbraw/zinc/64/69/47/1221646947.db2.gz DFTKSNNXRBEPAO-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000968954924 1221699205 /nfs/dbraw/zinc/69/92/05/1221699205.db2.gz YHUPYHJUHXRHLR-MSOLQXFVSA-N 2 1 345.874 2.128 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000968954924 1221699208 /nfs/dbraw/zinc/69/92/08/1221699208.db2.gz YHUPYHJUHXRHLR-MSOLQXFVSA-N 2 1 345.874 2.128 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008991197 1223105782 /nfs/dbraw/zinc/10/57/82/1223105782.db2.gz BITMTOZCTZOUEU-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008991197 1223105783 /nfs/dbraw/zinc/10/57/83/1223105783.db2.gz BITMTOZCTZOUEU-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016671215 1226758151 /nfs/dbraw/zinc/75/81/51/1226758151.db2.gz VHJGWPNWWRJUJZ-ZWKOTPCHSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016671215 1226758153 /nfs/dbraw/zinc/75/81/53/1226758153.db2.gz VHJGWPNWWRJUJZ-ZWKOTPCHSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016788591 1226878139 /nfs/dbraw/zinc/87/81/39/1226878139.db2.gz BRNFXNIOZXBPQF-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001016794146 1226884214 /nfs/dbraw/zinc/88/42/14/1226884214.db2.gz SMZJNHJCOANCOZ-SJLPKXTDSA-N 2 1 342.487 2.301 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC001039137529 1230350405 /nfs/dbraw/zinc/35/04/05/1230350405.db2.gz NQQJFXPGUSXDOR-GOSISDBHSA-N 2 1 336.439 2.142 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235688 1230468718 /nfs/dbraw/zinc/46/87/18/1230468718.db2.gz ZEDUUFYADLPKSW-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039282789 1230507600 /nfs/dbraw/zinc/50/76/00/1230507600.db2.gz UXWPYPOJIVACBM-IPQPSQTFSA-N 2 1 331.504 2.242 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001039424002 1230601459 /nfs/dbraw/zinc/60/14/59/1230601459.db2.gz XDNKQIBQGAOBGL-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039424002 1230601461 /nfs/dbraw/zinc/60/14/61/1230601461.db2.gz XDNKQIBQGAOBGL-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039424002 1230601463 /nfs/dbraw/zinc/60/14/63/1230601463.db2.gz XDNKQIBQGAOBGL-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040208670 1231104385 /nfs/dbraw/zinc/10/43/85/1231104385.db2.gz AVIUIKKRLXOMKR-FXAWDEMLSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040208670 1231104387 /nfs/dbraw/zinc/10/43/87/1231104387.db2.gz AVIUIKKRLXOMKR-FXAWDEMLSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314622 1231165273 /nfs/dbraw/zinc/16/52/73/1231165273.db2.gz ULACPNREYOBVIC-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301329 1231498747 /nfs/dbraw/zinc/49/87/47/1231498747.db2.gz LMXBNOUZHPBFOM-XLIONFOSSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041301329 1231498748 /nfs/dbraw/zinc/49/87/48/1231498748.db2.gz LMXBNOUZHPBFOM-XLIONFOSSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767041 1231683741 /nfs/dbraw/zinc/68/37/41/1231683741.db2.gz DJTDSSLPDCNILN-HXUWFJFHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041778249 1231689746 /nfs/dbraw/zinc/68/97/46/1231689746.db2.gz VBIKUKSKELGNMF-NRFANRHFSA-N 2 1 343.515 2.056 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847653 1231730126 /nfs/dbraw/zinc/73/01/26/1231730126.db2.gz TZVSAUPCZPAPHN-TZIWHRDSSA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847653 1231730129 /nfs/dbraw/zinc/73/01/29/1231730129.db2.gz TZVSAUPCZPAPHN-TZIWHRDSSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042083008 1231875681 /nfs/dbraw/zinc/87/56/81/1231875681.db2.gz HRNDUWUGYHZSFW-WBVHZDCISA-N 2 1 345.512 2.369 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042083008 1231875684 /nfs/dbraw/zinc/87/56/84/1231875684.db2.gz HRNDUWUGYHZSFW-WBVHZDCISA-N 2 1 345.512 2.369 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297649 1232012989 /nfs/dbraw/zinc/01/29/89/1232012989.db2.gz STVLWJSBPODAAI-HKUYNNGSSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001042376397 1232054278 /nfs/dbraw/zinc/05/42/78/1232054278.db2.gz RJQMDCMTSLGCDG-FUHWJXTLSA-N 2 1 343.471 2.291 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC001045073315 1233485834 /nfs/dbraw/zinc/48/58/34/1233485834.db2.gz CBGODMOTORIGJL-ROUUACIJSA-N 2 1 345.512 2.235 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC001045073315 1233485837 /nfs/dbraw/zinc/48/58/37/1233485837.db2.gz CBGODMOTORIGJL-ROUUACIJSA-N 2 1 345.512 2.235 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001045943812 1234203647 /nfs/dbraw/zinc/20/36/47/1234203647.db2.gz PJHOSGLUWMQFIH-PZJWPPBQSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943812 1234203649 /nfs/dbraw/zinc/20/36/49/1234203649.db2.gz PJHOSGLUWMQFIH-PZJWPPBQSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943812 1234203650 /nfs/dbraw/zinc/20/36/50/1234203650.db2.gz PJHOSGLUWMQFIH-PZJWPPBQSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045944969 1234205548 /nfs/dbraw/zinc/20/55/48/1234205548.db2.gz KTYLDOBJXKZOPH-ICSRJNTNSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319201 1234663965 /nfs/dbraw/zinc/66/39/65/1234663965.db2.gz PZDCJLPLIBSXBR-PXNSSMCTSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319201 1234663966 /nfs/dbraw/zinc/66/39/66/1234663966.db2.gz PZDCJLPLIBSXBR-PXNSSMCTSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319201 1234663968 /nfs/dbraw/zinc/66/39/68/1234663968.db2.gz PZDCJLPLIBSXBR-PXNSSMCTSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC(=C)C)C3)CC1 ZINC001047208241 1235672178 /nfs/dbraw/zinc/67/21/78/1235672178.db2.gz BOAPSDGMHHOKTL-IHPCNDPISA-N 2 1 343.515 2.267 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047250001 1235749118 /nfs/dbraw/zinc/74/91/18/1235749118.db2.gz YPTJLIMBLIBZFH-IHPCNDPISA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048524837 1237861989 /nfs/dbraw/zinc/86/19/89/1237861989.db2.gz BQAKQTCZFGFNRT-ZSXDVEMLSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)C2 ZINC001048524837 1237862005 /nfs/dbraw/zinc/86/20/05/1237862005.db2.gz BQAKQTCZFGFNRT-ZSXDVEMLSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)C2 ZINC001048524837 1237862017 /nfs/dbraw/zinc/86/20/17/1237862017.db2.gz BQAKQTCZFGFNRT-ZSXDVEMLSA-N 2 1 331.504 2.406 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC=C ZINC001048532631 1237892969 /nfs/dbraw/zinc/89/29/69/1237892969.db2.gz ASNKJQWCYFHSIT-RDGPPVDQSA-N 2 1 329.488 2.019 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC=C ZINC001048532631 1237892978 /nfs/dbraw/zinc/89/29/78/1237892978.db2.gz ASNKJQWCYFHSIT-RDGPPVDQSA-N 2 1 329.488 2.019 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC=C ZINC001048532631 1237892984 /nfs/dbraw/zinc/89/29/84/1237892984.db2.gz ASNKJQWCYFHSIT-RDGPPVDQSA-N 2 1 329.488 2.019 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC=C ZINC001048532631 1237892988 /nfs/dbraw/zinc/89/29/88/1237892988.db2.gz ASNKJQWCYFHSIT-RDGPPVDQSA-N 2 1 329.488 2.019 20 30 EEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048559996 1237963858 /nfs/dbraw/zinc/96/38/58/1237963858.db2.gz CZRDDSSQLQCYEF-ACHSLPGTSA-N 2 1 339.911 2.440 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC001000154964 1240005560 /nfs/dbraw/zinc/00/55/60/1240005560.db2.gz QCMNSFQISDFBDM-HKUYNNGSSA-N 2 1 343.515 2.245 20 30 EEEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000190896 1240046378 /nfs/dbraw/zinc/04/63/78/1240046378.db2.gz WXAMLMYACGZDCD-SJLPKXTDSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000190896 1240046384 /nfs/dbraw/zinc/04/63/84/1240046384.db2.gz WXAMLMYACGZDCD-SJLPKXTDSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049475691 1241064772 /nfs/dbraw/zinc/06/47/72/1241064772.db2.gz ALTCBVHHHADVHD-MSOLQXFVSA-N 2 1 336.439 2.345 20 30 EEEDMP CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049475691 1241064779 /nfs/dbraw/zinc/06/47/79/1241064779.db2.gz ALTCBVHHHADVHD-MSOLQXFVSA-N 2 1 336.439 2.345 20 30 EEEDMP C=C(Cl)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049482318 1241088528 /nfs/dbraw/zinc/08/85/28/1241088528.db2.gz MLXQRKOBDKJDJO-KLHDSHLOSA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049482318 1241088536 /nfs/dbraw/zinc/08/85/36/1241088536.db2.gz MLXQRKOBDKJDJO-KLHDSHLOSA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049482318 1241088546 /nfs/dbraw/zinc/08/85/46/1241088546.db2.gz MLXQRKOBDKJDJO-KLHDSHLOSA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049482318 1241088560 /nfs/dbraw/zinc/08/85/60/1241088560.db2.gz MLXQRKOBDKJDJO-KLHDSHLOSA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049482318 1241088571 /nfs/dbraw/zinc/08/85/71/1241088571.db2.gz MLXQRKOBDKJDJO-KLHDSHLOSA-N 2 1 325.884 2.144 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001049561397 1241422370 /nfs/dbraw/zinc/42/23/70/1241422370.db2.gz KPOTWIZOTNHLMT-ZYSHUDEJSA-N 2 1 342.487 2.464 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049600333 1241601848 /nfs/dbraw/zinc/60/18/48/1241601848.db2.gz ZVUILLWJOMLLSK-MOPGFXCFSA-N 2 1 342.487 2.403 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049600333 1241601856 /nfs/dbraw/zinc/60/18/56/1241601856.db2.gz ZVUILLWJOMLLSK-MOPGFXCFSA-N 2 1 342.487 2.403 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717430 1241977805 /nfs/dbraw/zinc/97/78/05/1241977805.db2.gz DIBKAGDMCPZVIK-CGTJXYLNSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717430 1241977819 /nfs/dbraw/zinc/97/78/19/1241977819.db2.gz DIBKAGDMCPZVIK-CGTJXYLNSA-N 2 1 328.460 2.005 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701488 1244784805 /nfs/dbraw/zinc/78/48/05/1244784805.db2.gz FPNQQMZAKUSXAH-LPHOPBHVSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052701488 1244784812 /nfs/dbraw/zinc/78/48/12/1244784812.db2.gz FPNQQMZAKUSXAH-LPHOPBHVSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052701488 1244784818 /nfs/dbraw/zinc/78/48/18/1244784818.db2.gz FPNQQMZAKUSXAH-LPHOPBHVSA-N 2 1 337.483 2.193 20 30 EEEDMP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001051164696 1245070664 /nfs/dbraw/zinc/07/06/64/1245070664.db2.gz WGBZGOXRNIRWNL-LJQANCHMSA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001051164696 1245070670 /nfs/dbraw/zinc/07/06/70/1245070670.db2.gz WGBZGOXRNIRWNL-LJQANCHMSA-N 2 1 345.487 2.145 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933211 1245505205 /nfs/dbraw/zinc/50/52/05/1245505205.db2.gz XVLITHAEKZAJOC-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933211 1245505213 /nfs/dbraw/zinc/50/52/13/1245505213.db2.gz XVLITHAEKZAJOC-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933211 1245505222 /nfs/dbraw/zinc/50/52/22/1245505222.db2.gz XVLITHAEKZAJOC-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)CC2)CC1 ZINC001052954810 1245546452 /nfs/dbraw/zinc/54/64/52/1245546452.db2.gz SQKDGQLJKAISQU-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053039276 1245741495 /nfs/dbraw/zinc/74/14/95/1245741495.db2.gz DLQQLCIYHYZNOY-WOJBJXKFSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054147782 1247526859 /nfs/dbraw/zinc/52/68/59/1247526859.db2.gz XYPOOANQZRRAPD-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001054147782 1247526867 /nfs/dbraw/zinc/52/68/67/1247526867.db2.gz XYPOOANQZRRAPD-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001054147782 1247526875 /nfs/dbraw/zinc/52/68/75/1247526875.db2.gz XYPOOANQZRRAPD-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171304 1247597578 /nfs/dbraw/zinc/59/75/78/1247597578.db2.gz OCPLRKISYYYFHZ-UYAOXDASSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001054185298 1247649813 /nfs/dbraw/zinc/64/98/13/1247649813.db2.gz XREJUFJYKVULMN-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001054185298 1247649827 /nfs/dbraw/zinc/64/98/27/1247649827.db2.gz XREJUFJYKVULMN-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054207986 1247720912 /nfs/dbraw/zinc/72/09/12/1247720912.db2.gz CMLWKYHPOSQZQC-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245200 1247859900 /nfs/dbraw/zinc/85/99/00/1247859900.db2.gz PSOCHMXPMYGUNE-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001072910122 1255481963 /nfs/dbraw/zinc/48/19/63/1255481963.db2.gz UNZZRXMSNYYDFO-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072910122 1255481965 /nfs/dbraw/zinc/48/19/65/1255481965.db2.gz UNZZRXMSNYYDFO-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001072910122 1255481969 /nfs/dbraw/zinc/48/19/69/1255481969.db2.gz UNZZRXMSNYYDFO-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C2)C1 ZINC001072984724 1255549512 /nfs/dbraw/zinc/54/95/12/1255549512.db2.gz MSRAFVUCSONSFR-UHFFFAOYSA-N 2 1 327.472 2.125 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001074877928 1257186498 /nfs/dbraw/zinc/18/64/98/1257186498.db2.gz SAYUZLOKVPCPHT-ZQIUZPCESA-N 2 1 346.500 2.183 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098463994 1257698539 /nfs/dbraw/zinc/69/85/39/1257698539.db2.gz KJIFJTWFSFEVKX-QRQLOZEOSA-N 2 1 325.456 2.107 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099002360 1257925328 /nfs/dbraw/zinc/92/53/28/1257925328.db2.gz XNGHMKIWIKZHCX-UWVAXJGDSA-N 2 1 342.487 2.301 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099002360 1257925333 /nfs/dbraw/zinc/92/53/33/1257925333.db2.gz XNGHMKIWIKZHCX-UWVAXJGDSA-N 2 1 342.487 2.301 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001099554453 1258203786 /nfs/dbraw/zinc/20/37/86/1258203786.db2.gz YZTYVGVOIUGDEG-OKYOBFRVSA-N 2 1 342.487 2.327 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001099554453 1258203790 /nfs/dbraw/zinc/20/37/90/1258203790.db2.gz YZTYVGVOIUGDEG-OKYOBFRVSA-N 2 1 342.487 2.327 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC/C=C/CC)C[C@H]32)CC1 ZINC001190317177 1280788111 /nfs/dbraw/zinc/78/81/11/1280788111.db2.gz DPRZWKJOROVTMO-MNVMYWNISA-N 2 1 343.515 2.221 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCCCC=C)C1 ZINC001190723716 1281032261 /nfs/dbraw/zinc/03/22/61/1281032261.db2.gz JCTUASIWYNHQQK-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCCC=C)C1 ZINC001190723716 1281032268 /nfs/dbraw/zinc/03/22/68/1281032268.db2.gz JCTUASIWYNHQQK-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCCCC=C)C1 ZINC001190723716 1281032279 /nfs/dbraw/zinc/03/22/79/1281032279.db2.gz JCTUASIWYNHQQK-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCCCC=C)C1 ZINC001190723716 1281032291 /nfs/dbraw/zinc/03/22/91/1281032291.db2.gz JCTUASIWYNHQQK-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCCCC=C)C1 ZINC001190723716 1281032300 /nfs/dbraw/zinc/03/23/00/1281032300.db2.gz JCTUASIWYNHQQK-OALUTQOASA-N 2 1 331.504 2.363 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193292387 1282427130 /nfs/dbraw/zinc/42/71/30/1282427130.db2.gz OBPJJWJFVYYFQA-IBGZPJMESA-N 2 1 345.462 2.052 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193292387 1282427132 /nfs/dbraw/zinc/42/71/32/1282427132.db2.gz OBPJJWJFVYYFQA-IBGZPJMESA-N 2 1 345.462 2.052 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193292387 1282427138 /nfs/dbraw/zinc/42/71/38/1282427138.db2.gz OBPJJWJFVYYFQA-IBGZPJMESA-N 2 1 345.462 2.052 20 30 EEEDMP C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000852099889 1291993152 /nfs/dbraw/zinc/99/31/52/1291993152.db2.gz RBJBADTYGHNNTO-NRFANRHFSA-N 2 1 341.499 2.421 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857039346 1293705432 /nfs/dbraw/zinc/70/54/32/1293705432.db2.gz CMXQJNSRCJQOSA-FQEVSTJZSA-N 2 1 339.483 2.277 20 30 EEEDMP C#CCC[NH+]1CCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857039346 1293705435 /nfs/dbraw/zinc/70/54/35/1293705435.db2.gz CMXQJNSRCJQOSA-FQEVSTJZSA-N 2 1 339.483 2.277 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001072812002 1296171687 /nfs/dbraw/zinc/17/16/87/1296171687.db2.gz OQXJMKXMTACEFY-MRXNPFEDSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072812002 1296171693 /nfs/dbraw/zinc/17/16/93/1296171693.db2.gz OQXJMKXMTACEFY-MRXNPFEDSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072812002 1296171697 /nfs/dbraw/zinc/17/16/97/1296171697.db2.gz OQXJMKXMTACEFY-MRXNPFEDSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072812002 1296171703 /nfs/dbraw/zinc/17/17/03/1296171703.db2.gz OQXJMKXMTACEFY-MRXNPFEDSA-N 2 1 339.911 2.251 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353866 1299076337 /nfs/dbraw/zinc/07/63/37/1299076337.db2.gz HYHSLHIISXTYFG-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372561 1300952312 /nfs/dbraw/zinc/95/23/12/1300952312.db2.gz JJOWYYKESLNKBJ-MDZRGWNJSA-N 2 1 339.499 2.459 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372561 1300952317 /nfs/dbraw/zinc/95/23/17/1300952317.db2.gz JJOWYYKESLNKBJ-MDZRGWNJSA-N 2 1 339.499 2.459 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372561 1300952319 /nfs/dbraw/zinc/95/23/19/1300952319.db2.gz JJOWYYKESLNKBJ-MDZRGWNJSA-N 2 1 339.499 2.459 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102525168 1301183615 /nfs/dbraw/zinc/18/36/15/1301183615.db2.gz OBJPZYNJSCUTSP-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102525168 1301183621 /nfs/dbraw/zinc/18/36/21/1301183621.db2.gz OBJPZYNJSCUTSP-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102525168 1301183626 /nfs/dbraw/zinc/18/36/26/1301183626.db2.gz OBJPZYNJSCUTSP-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599278 1301274040 /nfs/dbraw/zinc/27/40/40/1301274040.db2.gz WNTZCINTNWYSIK-GDBMZVCRSA-N 2 1 327.900 2.299 20 30 EEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001227454005 1301835185 /nfs/dbraw/zinc/83/51/85/1301835185.db2.gz LPCJXYKLEHLFNI-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103171179 1302378359 /nfs/dbraw/zinc/37/83/59/1302378359.db2.gz RNJPJFQUBBEPBG-HZPDHXFCSA-N 2 1 348.491 2.390 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103171179 1302378374 /nfs/dbraw/zinc/37/83/74/1302378374.db2.gz RNJPJFQUBBEPBG-HZPDHXFCSA-N 2 1 348.491 2.390 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495612 1303035973 /nfs/dbraw/zinc/03/59/73/1303035973.db2.gz KZBNVLUQRRBOJE-CEXWTWQISA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001230571434 1303283988 /nfs/dbraw/zinc/28/39/88/1303283988.db2.gz DOMXGRKJULNGSZ-ZWKOTPCHSA-N 2 1 337.483 2.003 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1cccnc1 ZINC001230783375 1303454792 /nfs/dbraw/zinc/45/47/92/1303454792.db2.gz GMNKJWDXLZZGLN-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)[C@@H]2C1 ZINC001277543183 1303869506 /nfs/dbraw/zinc/86/95/06/1303869506.db2.gz ITJLSEBFHKPNIP-FUHWJXTLSA-N 2 1 332.879 2.279 20 30 EEEDMP C(#Cc1ccccc1)c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)s1 ZINC001234988626 1305074745 /nfs/dbraw/zinc/07/47/45/1305074745.db2.gz NHBRGIWVDYXTJE-HXUWFJFHSA-N 2 1 337.492 2.285 20 30 EEEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177518 1305177523 /nfs/dbraw/zinc/17/75/23/1305177523.db2.gz TWLOSVNGQPIENA-AEFFLSMTSA-N 2 1 334.508 2.237 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCCC1 ZINC001115731185 1305683488 /nfs/dbraw/zinc/68/34/88/1305683488.db2.gz ZHLPPQPMFGWHIU-KRWDZBQOSA-N 2 1 342.487 2.186 20 30 EEEDMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)c(CC)c2)CCC12C[NH2+]C2 ZINC001237434706 1305932067 /nfs/dbraw/zinc/93/20/67/1305932067.db2.gz DSAXGUARACZFBE-GOSISDBHSA-N 2 1 341.455 2.095 20 30 EEEDMP N#Cc1ccc(CC[N@H+]2CCCC3(CN(CCn4ccnc4)C3)C2)cc1 ZINC001278174963 1306174273 /nfs/dbraw/zinc/17/42/73/1306174273.db2.gz FVHZKAUBZANCRR-UHFFFAOYSA-N 2 1 349.482 2.395 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160399885 1320154152 /nfs/dbraw/zinc/15/41/52/1320154152.db2.gz GARHAHWWKITEJS-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160399885 1320154155 /nfs/dbraw/zinc/15/41/55/1320154155.db2.gz GARHAHWWKITEJS-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160399885 1320154158 /nfs/dbraw/zinc/15/41/58/1320154158.db2.gz GARHAHWWKITEJS-IBGZPJMESA-N 2 1 349.519 2.202 20 30 EEEDMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000843409030 1315909632 /nfs/dbraw/zinc/90/96/32/1315909632.db2.gz NUCXMXGTQBIPDD-UHFFFAOYSA-N 2 1 334.427 2.295 20 30 EEEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000843409030 1315909633 /nfs/dbraw/zinc/90/96/33/1315909633.db2.gz NUCXMXGTQBIPDD-UHFFFAOYSA-N 2 1 334.427 2.295 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001153998097 1316933306 /nfs/dbraw/zinc/93/33/06/1316933306.db2.gz IJGJVHQZJFWRIC-RDTXWAMCSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001153998097 1316933307 /nfs/dbraw/zinc/93/33/07/1316933307.db2.gz IJGJVHQZJFWRIC-RDTXWAMCSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255280 1317525438 /nfs/dbraw/zinc/52/54/38/1317525438.db2.gz PTHVXFTXHZKJHQ-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255280 1317525444 /nfs/dbraw/zinc/52/54/44/1317525444.db2.gz PTHVXFTXHZKJHQ-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155255280 1317525451 /nfs/dbraw/zinc/52/54/51/1317525451.db2.gz PTHVXFTXHZKJHQ-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155255280 1317525452 /nfs/dbraw/zinc/52/54/52/1317525452.db2.gz PTHVXFTXHZKJHQ-IAGOWNOFSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001155313717 1317546884 /nfs/dbraw/zinc/54/68/84/1317546884.db2.gz FQVMCKSQXNTBNS-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256865832 1318881548 /nfs/dbraw/zinc/88/15/48/1318881548.db2.gz YYPVZUWYKRLCIS-MRXNPFEDSA-N 2 1 344.459 2.427 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001157981319 1318958331 /nfs/dbraw/zinc/95/83/31/1318958331.db2.gz GBEZGAFMCJBSTK-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001157981319 1318958332 /nfs/dbraw/zinc/95/83/32/1318958332.db2.gz GBEZGAFMCJBSTK-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001157981319 1318958334 /nfs/dbraw/zinc/95/83/34/1318958334.db2.gz GBEZGAFMCJBSTK-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001157981319 1318958338 /nfs/dbraw/zinc/95/83/38/1318958338.db2.gz GBEZGAFMCJBSTK-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001157981319 1318958339 /nfs/dbraw/zinc/95/83/39/1318958339.db2.gz GBEZGAFMCJBSTK-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001160274185 1320120021 /nfs/dbraw/zinc/12/00/21/1320120021.db2.gz QFVDKOUYSQHINZ-GOSISDBHSA-N 2 1 328.460 2.029 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160474013 1320171802 /nfs/dbraw/zinc/17/18/02/1320171802.db2.gz WPEWJITXDLDMER-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160474013 1320171807 /nfs/dbraw/zinc/17/18/07/1320171807.db2.gz WPEWJITXDLDMER-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160474013 1320171810 /nfs/dbraw/zinc/17/18/10/1320171810.db2.gz WPEWJITXDLDMER-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383276 1320482361 /nfs/dbraw/zinc/48/23/61/1320482361.db2.gz OUJFOQHXIXMQAR-SFHVURJKSA-N 2 1 331.504 2.413 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001161908567 1320673060 /nfs/dbraw/zinc/67/30/60/1320673060.db2.gz OJSRYUYACQYRAB-MJGOQNOKSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161908567 1320673064 /nfs/dbraw/zinc/67/30/64/1320673064.db2.gz OJSRYUYACQYRAB-MJGOQNOKSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161908567 1320673067 /nfs/dbraw/zinc/67/30/67/1320673067.db2.gz OJSRYUYACQYRAB-MJGOQNOKSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161908567 1320673070 /nfs/dbraw/zinc/67/30/70/1320673070.db2.gz OJSRYUYACQYRAB-MJGOQNOKSA-N 2 1 349.519 2.200 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467306 1321886428 /nfs/dbraw/zinc/88/64/28/1321886428.db2.gz ADQYTOJQALOIAD-IAGOWNOFSA-N 2 1 342.487 2.437 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203633514 1321928625 /nfs/dbraw/zinc/92/86/25/1321928625.db2.gz YDRLUOUBNMRAOO-CABCVRRESA-N 2 1 327.900 2.488 20 30 EEEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)CC1 ZINC001276477058 1322234766 /nfs/dbraw/zinc/23/47/66/1322234766.db2.gz BFWGJULJUHQJJE-AQNXPRMDSA-N 2 1 333.520 2.236 20 30 EEEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)CC1 ZINC001276477058 1322234770 /nfs/dbraw/zinc/23/47/70/1322234770.db2.gz BFWGJULJUHQJJE-AQNXPRMDSA-N 2 1 333.520 2.236 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208352753 1324444584 /nfs/dbraw/zinc/44/45/84/1324444584.db2.gz NAHZSLJRFJQRPQ-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208352753 1324444585 /nfs/dbraw/zinc/44/45/85/1324444585.db2.gz NAHZSLJRFJQRPQ-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001491859074 1330276727 /nfs/dbraw/zinc/27/67/27/1330276727.db2.gz PEVNGFWZYUNCCT-QGZVFWFLSA-N 2 1 335.879 2.309 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001491859074 1330276729 /nfs/dbraw/zinc/27/67/29/1330276729.db2.gz PEVNGFWZYUNCCT-QGZVFWFLSA-N 2 1 335.879 2.309 20 30 EEEDMP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)n1 ZINC001328510675 1334470861 /nfs/dbraw/zinc/47/08/61/1334470861.db2.gz AAIVKTBFNQUSSA-QGZVFWFLSA-N 2 1 347.426 2.381 20 30 EEEDMP Cc1cccc(NC[C@H]2CCCN2Cc2cnc3c(C#N)cnn3c2)n1 ZINC001328510675 1334470863 /nfs/dbraw/zinc/47/08/63/1334470863.db2.gz AAIVKTBFNQUSSA-QGZVFWFLSA-N 2 1 347.426 2.381 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC001331376583 1335004963 /nfs/dbraw/zinc/00/49/63/1335004963.db2.gz VXUYXWJUJCHOKP-JLAWEPINSA-N 2 1 346.519 2.180 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC001331376583 1335004964 /nfs/dbraw/zinc/00/49/64/1335004964.db2.gz VXUYXWJUJCHOKP-JLAWEPINSA-N 2 1 346.519 2.180 20 30 EEEDMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001569451854 1342872599 /nfs/dbraw/zinc/87/25/99/1342872599.db2.gz KPQZSRJFXKVPIF-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001569451854 1342872603 /nfs/dbraw/zinc/87/26/03/1342872603.db2.gz KPQZSRJFXKVPIF-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001569451854 1342872606 /nfs/dbraw/zinc/87/26/06/1342872606.db2.gz KPQZSRJFXKVPIF-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1OC ZINC001198903162 1368652543 /nfs/dbraw/zinc/65/25/43/1368652543.db2.gz VXKAZYJQNSILDH-FUHWJXTLSA-N 2 1 345.487 2.360 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001366443264 1373899848 /nfs/dbraw/zinc/89/98/48/1373899848.db2.gz XYWJHXOKXKGQRB-OALUTQOASA-N 2 1 342.487 2.417 20 30 EEEDMP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1C#N ZINC001377395346 1379202623 /nfs/dbraw/zinc/20/26/23/1379202623.db2.gz RZZOOUWBWCXIIZ-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001380981889 1381480434 /nfs/dbraw/zinc/48/04/34/1381480434.db2.gz MMGCEGCQLIBVMG-LJQANCHMSA-N 2 1 344.503 2.425 20 30 EEEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752655630 1406329478 /nfs/dbraw/zinc/32/94/78/1406329478.db2.gz UZPOSFXRAMHYJJ-ZHALLVOQSA-N 2 1 349.519 2.223 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001391402277 1389344702 /nfs/dbraw/zinc/34/47/02/1389344702.db2.gz ZNTPVWHXJCAVQO-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001391402277 1389344709 /nfs/dbraw/zinc/34/47/09/1389344709.db2.gz ZNTPVWHXJCAVQO-AWEZNQCLSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391895160 1389692323 /nfs/dbraw/zinc/69/23/23/1389692323.db2.gz QHCRPONMODYBAN-APWZRJJASA-N 2 1 342.487 2.275 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001401507401 1397414707 /nfs/dbraw/zinc/41/47/07/1397414707.db2.gz XPVBFOUEJJUHSW-MOPGFXCFSA-N 2 1 342.487 2.275 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001425979068 1401828387 /nfs/dbraw/zinc/82/83/87/1401828387.db2.gz XVLOJPGEYFMGGM-APWZRJJASA-N 2 1 342.487 2.275 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](Cc1ccccc1)[NH2+]C(C)C ZINC001755722292 1407782277 /nfs/dbraw/zinc/78/22/77/1407782277.db2.gz HTDHTOHCVTWCHK-UXHICEINSA-N 2 1 341.499 2.200 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](Cc1ccccc1)[NH2+]C(C)C ZINC001755722292 1407782286 /nfs/dbraw/zinc/78/22/86/1407782286.db2.gz HTDHTOHCVTWCHK-UXHICEINSA-N 2 1 341.499 2.200 20 30 EEEDMP CC#CC[N@@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001755811627 1407865401 /nfs/dbraw/zinc/86/54/01/1407865401.db2.gz BHLYZTINKMEMFP-UHFFFAOYSA-N 2 1 326.444 2.448 20 30 EEEDMP C=CCOCC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167459212 759639655 /nfs/dbraw/zinc/63/96/55/759639655.db2.gz WTADTUZJLXUZLS-UHFFFAOYSA-N 2 1 348.491 2.050 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001104424414 760679485 /nfs/dbraw/zinc/67/94/85/760679485.db2.gz CQWJSHIEBBRQKR-HZPDHXFCSA-N 2 1 330.476 2.022 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461421 760929278 /nfs/dbraw/zinc/92/92/78/760929278.db2.gz GRQOEDVCSRVCMM-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461421 760929285 /nfs/dbraw/zinc/92/92/85/760929285.db2.gz GRQOEDVCSRVCMM-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461421 760929291 /nfs/dbraw/zinc/92/92/91/760929291.db2.gz GRQOEDVCSRVCMM-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440065 761374732 /nfs/dbraw/zinc/37/47/32/761374732.db2.gz KCZZTQZLXLIQOD-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440065 761374739 /nfs/dbraw/zinc/37/47/39/761374739.db2.gz KCZZTQZLXLIQOD-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440065 761374745 /nfs/dbraw/zinc/37/47/45/761374745.db2.gz KCZZTQZLXLIQOD-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCC(C)C)CC[C@@H]3C2)CC1 ZINC001088212258 783063094 /nfs/dbraw/zinc/06/30/94/783063094.db2.gz YJEMGEARQXHZSG-UXHICEINSA-N 2 1 345.531 2.158 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639841 773637967 /nfs/dbraw/zinc/63/79/67/773637967.db2.gz ZZXUIQLFLRCCFW-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089639841 773637971 /nfs/dbraw/zinc/63/79/71/773637971.db2.gz ZZXUIQLFLRCCFW-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001089639841 773637974 /nfs/dbraw/zinc/63/79/74/773637974.db2.gz ZZXUIQLFLRCCFW-QZTJIDSGSA-N 2 1 333.520 2.489 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779653 783196178 /nfs/dbraw/zinc/19/61/78/783196178.db2.gz SFXFERCQZMHVJX-QMCVQRASSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779653 783196188 /nfs/dbraw/zinc/19/61/88/783196188.db2.gz SFXFERCQZMHVJX-QMCVQRASSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779653 783196194 /nfs/dbraw/zinc/19/61/94/783196194.db2.gz SFXFERCQZMHVJX-QMCVQRASSA-N 2 1 339.911 2.107 20 30 EEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000947722018 775836470 /nfs/dbraw/zinc/83/64/70/775836470.db2.gz CVCXKWGHWHNJNE-GJZGRUSLSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000947722018 775836477 /nfs/dbraw/zinc/83/64/77/775836477.db2.gz CVCXKWGHWHNJNE-GJZGRUSLSA-N 2 1 332.448 2.039 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089858447 778465659 /nfs/dbraw/zinc/46/56/59/778465659.db2.gz AVOBTIRLTHXTIR-MANSERQUSA-N 2 1 345.531 2.463 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001089858447 778465663 /nfs/dbraw/zinc/46/56/63/778465663.db2.gz AVOBTIRLTHXTIR-MANSERQUSA-N 2 1 345.531 2.463 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001089858447 778465666 /nfs/dbraw/zinc/46/56/66/778465666.db2.gz AVOBTIRLTHXTIR-MANSERQUSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164405 779185475 /nfs/dbraw/zinc/18/54/75/779185475.db2.gz LUZJBKMHTLHQEY-SFHVURJKSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164405 779185478 /nfs/dbraw/zinc/18/54/78/779185478.db2.gz LUZJBKMHTLHQEY-SFHVURJKSA-N 2 1 327.472 2.400 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279891 779518146 /nfs/dbraw/zinc/51/81/46/779518146.db2.gz LUCYXMHXDJRPJD-JYAXBFRTSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279891 779518152 /nfs/dbraw/zinc/51/81/52/779518152.db2.gz LUCYXMHXDJRPJD-JYAXBFRTSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982279891 779518157 /nfs/dbraw/zinc/51/81/57/779518157.db2.gz LUCYXMHXDJRPJD-JYAXBFRTSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295375 779603074 /nfs/dbraw/zinc/60/30/74/779603074.db2.gz SCKYIVOEMNDBAS-YSIASYRMSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295375 779603077 /nfs/dbraw/zinc/60/30/77/779603077.db2.gz SCKYIVOEMNDBAS-YSIASYRMSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295375 779603080 /nfs/dbraw/zinc/60/30/80/779603080.db2.gz SCKYIVOEMNDBAS-YSIASYRMSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729699 780114818 /nfs/dbraw/zinc/11/48/18/780114818.db2.gz HDAAONAUKGRJRU-RBUKOAKNSA-N 2 1 329.488 2.487 20 30 EEEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000809742971 783354977 /nfs/dbraw/zinc/35/49/77/783354977.db2.gz OZTZZEIAYMADHO-KRWDZBQOSA-N 2 1 330.476 2.047 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035194121 784083160 /nfs/dbraw/zinc/08/31/60/784083160.db2.gz VLEFBKFLQIFMKG-KRWDZBQOSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035194121 784083166 /nfs/dbraw/zinc/08/31/66/784083166.db2.gz VLEFBKFLQIFMKG-KRWDZBQOSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035215501 784139862 /nfs/dbraw/zinc/13/98/62/784139862.db2.gz GSEVSTSLMZESKK-LJQANCHMSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215501 784139866 /nfs/dbraw/zinc/13/98/66/784139866.db2.gz GSEVSTSLMZESKK-LJQANCHMSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215501 784139869 /nfs/dbraw/zinc/13/98/69/784139869.db2.gz GSEVSTSLMZESKK-LJQANCHMSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035237836 784157626 /nfs/dbraw/zinc/15/76/26/784157626.db2.gz WVKRFUGBNQUGBD-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035237836 784157630 /nfs/dbraw/zinc/15/76/30/784157630.db2.gz WVKRFUGBNQUGBD-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035237836 784157635 /nfs/dbraw/zinc/15/76/35/784157635.db2.gz WVKRFUGBNQUGBD-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135857665 784640146 /nfs/dbraw/zinc/64/01/46/784640146.db2.gz MDMGRSHQYIDXPU-HZPDHXFCSA-N 2 1 330.476 2.273 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001112538515 786065526 /nfs/dbraw/zinc/06/55/26/786065526.db2.gz KTOGCOBEQGPCOG-PXNSSMCTSA-N 2 1 342.487 2.248 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cncn1C ZINC001089895750 787022260 /nfs/dbraw/zinc/02/22/60/787022260.db2.gz GZTFQPICZZAECY-NQYYFHDYSA-N 2 1 342.487 2.098 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cnccc1/C=C/[NH+](C)C ZINC001171074834 788475795 /nfs/dbraw/zinc/47/57/95/788475795.db2.gz KEOLLYUJLYLSSO-YHVDPYDOSA-N 2 1 332.448 2.253 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001030031472 789100216 /nfs/dbraw/zinc/10/02/16/789100216.db2.gz OKCQLSUEGLAMCA-HOJAQTOUSA-N 2 1 339.483 2.426 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902785 789585891 /nfs/dbraw/zinc/58/58/91/789585891.db2.gz ZASIIOLFHLOVLE-CADBVGFASA-N 2 1 331.504 2.053 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001146591862 791360460 /nfs/dbraw/zinc/36/04/60/791360460.db2.gz HPWSWJBBWDUEPF-LSDHHAIUSA-N 2 1 348.466 2.410 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998021769 791845865 /nfs/dbraw/zinc/84/58/65/791845865.db2.gz HMSKTHLKSFMNDL-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070428 792076352 /nfs/dbraw/zinc/07/63/52/792076352.db2.gz DCAYVFVUERLARP-WBVHZDCISA-N 2 1 331.460 2.337 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070428 792076362 /nfs/dbraw/zinc/07/63/62/792076362.db2.gz DCAYVFVUERLARP-WBVHZDCISA-N 2 1 331.460 2.337 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@]2(C)C1 ZINC001091684558 792223428 /nfs/dbraw/zinc/22/34/28/792223428.db2.gz JAISIXJFKAKMRT-HLIPFELVSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684558 792223437 /nfs/dbraw/zinc/22/34/37/792223437.db2.gz JAISIXJFKAKMRT-HLIPFELVSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684558 792223446 /nfs/dbraw/zinc/22/34/46/792223446.db2.gz JAISIXJFKAKMRT-HLIPFELVSA-N 2 1 342.487 2.200 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731741 792547531 /nfs/dbraw/zinc/54/75/31/792547531.db2.gz VGLIGUFGZJKXQE-GGPKGHCWSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731741 792547541 /nfs/dbraw/zinc/54/75/41/792547541.db2.gz VGLIGUFGZJKXQE-GGPKGHCWSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731741 792547546 /nfs/dbraw/zinc/54/75/46/792547546.db2.gz VGLIGUFGZJKXQE-GGPKGHCWSA-N 2 1 333.520 2.321 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737535 792598057 /nfs/dbraw/zinc/59/80/57/792598057.db2.gz MTRBDMGOQBRLJM-GGPKGHCWSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737535 792598064 /nfs/dbraw/zinc/59/80/64/792598064.db2.gz MTRBDMGOQBRLJM-GGPKGHCWSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737535 792598069 /nfs/dbraw/zinc/59/80/69/792598069.db2.gz MTRBDMGOQBRLJM-GGPKGHCWSA-N 2 1 331.504 2.053 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000998993502 793662938 /nfs/dbraw/zinc/66/29/38/793662938.db2.gz FLCLISASYYNGTC-ACBHZAAOSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](F)CC)CC2 ZINC001040731844 794286678 /nfs/dbraw/zinc/28/66/78/794286678.db2.gz QVOXBEWMIPGLSN-ROUUACIJSA-N 2 1 349.494 2.147 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000999976754 795125475 /nfs/dbraw/zinc/12/54/75/795125475.db2.gz ZTHJMJJXLGAIBX-JKSUJKDBSA-N 2 1 327.900 2.442 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093383770 795127033 /nfs/dbraw/zinc/12/70/33/795127033.db2.gz OFIWXUAACHWDDD-FQEVSTJZSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036810433 795215511 /nfs/dbraw/zinc/21/55/11/795215511.db2.gz BKLFQAKRUCPPDY-HZPDHXFCSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001079879580 795313008 /nfs/dbraw/zinc/31/30/08/795313008.db2.gz ZNVRUXXQODBNAO-QRQLOZEOSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC(CC)CC)CC1 ZINC001000791152 796194995 /nfs/dbraw/zinc/19/49/95/796194995.db2.gz NGCZVGXCAFXGRW-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(CC)CC)CC1 ZINC001000791152 796195000 /nfs/dbraw/zinc/19/50/00/796195000.db2.gz NGCZVGXCAFXGRW-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(CC)CC)CC1 ZINC001000791152 796195002 /nfs/dbraw/zinc/19/50/02/796195002.db2.gz NGCZVGXCAFXGRW-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(CC)CC)CC1 ZINC001000791152 796195005 /nfs/dbraw/zinc/19/50/05/796195005.db2.gz NGCZVGXCAFXGRW-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433847 796227403 /nfs/dbraw/zinc/22/74/03/796227403.db2.gz GGVXUHSKHJTJSD-SQGPQFPESA-N 2 1 340.471 2.145 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433847 796227408 /nfs/dbraw/zinc/22/74/08/796227408.db2.gz GGVXUHSKHJTJSD-SQGPQFPESA-N 2 1 340.471 2.145 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456603 796266876 /nfs/dbraw/zinc/26/68/76/796266876.db2.gz JJGBKRALUHZEFY-QKNQBKEWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456603 796266879 /nfs/dbraw/zinc/26/68/79/796266879.db2.gz JJGBKRALUHZEFY-QKNQBKEWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456603 796266882 /nfs/dbraw/zinc/26/68/82/796266882.db2.gz JJGBKRALUHZEFY-QKNQBKEWSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCN1C(=O)CCC12CC[NH+](C1CC[NH+](CCCOC)CC1)CC2 ZINC001172250305 796942603 /nfs/dbraw/zinc/94/26/03/796942603.db2.gz DAFBIEQNXSPMOI-UHFFFAOYSA-N 2 1 349.519 2.130 20 30 EEEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172307869 796949995 /nfs/dbraw/zinc/94/99/95/796949995.db2.gz JYUVKCBCXNVFQO-FFZOFVMBSA-N 2 1 326.488 2.199 20 30 EEEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001172495533 797006959 /nfs/dbraw/zinc/00/69/59/797006959.db2.gz RAQQDKUIGZSBBY-QXAKKESOSA-N 2 1 346.519 2.476 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001082055439 797142365 /nfs/dbraw/zinc/14/23/65/797142365.db2.gz RXBUPMGZYWKXBW-GUDVDZBRSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001082055439 797142368 /nfs/dbraw/zinc/14/23/68/797142368.db2.gz RXBUPMGZYWKXBW-GUDVDZBRSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082055439 797142370 /nfs/dbraw/zinc/14/23/70/797142370.db2.gz RXBUPMGZYWKXBW-GUDVDZBRSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082055439 797142374 /nfs/dbraw/zinc/14/23/74/797142374.db2.gz RXBUPMGZYWKXBW-GUDVDZBRSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994001370 797246461 /nfs/dbraw/zinc/24/64/61/797246461.db2.gz CPPLTSLSYGUCFX-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905468 797926775 /nfs/dbraw/zinc/92/67/75/797926775.db2.gz KUQPBULIHAASHX-SQNIBIBYSA-N 2 1 339.524 2.184 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000917098114 798076138 /nfs/dbraw/zinc/07/61/38/798076138.db2.gz RUNKTWLBSIEIPW-SFHVURJKSA-N 2 1 336.524 2.399 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(=C)C)[C@H]2C)CC1 ZINC000994492796 798090810 /nfs/dbraw/zinc/09/08/10/798090810.db2.gz BRELNFLENYIEGZ-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406681 798423991 /nfs/dbraw/zinc/42/39/91/798423991.db2.gz QIOHMOCTWANOAM-DLBZAZTESA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406681 798423995 /nfs/dbraw/zinc/42/39/95/798423995.db2.gz QIOHMOCTWANOAM-DLBZAZTESA-N 2 1 342.487 2.391 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC001084851308 798501549 /nfs/dbraw/zinc/50/15/49/798501549.db2.gz WXEVRRREFLFRFU-RTBURBONSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001177056560 798720356 /nfs/dbraw/zinc/72/03/56/798720356.db2.gz XDZDRYSEBZAWDP-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001177056560 798720361 /nfs/dbraw/zinc/72/03/61/798720361.db2.gz XDZDRYSEBZAWDP-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1c[nH+]cc1C ZINC001177368516 798884797 /nfs/dbraw/zinc/88/47/97/798884797.db2.gz KGVPYBSDBQPEGQ-UHFFFAOYSA-N 2 1 330.476 2.213 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001003166967 799332864 /nfs/dbraw/zinc/33/28/64/799332864.db2.gz MSZOVDJFCOHECU-LJQANCHMSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179591291 799998414 /nfs/dbraw/zinc/99/84/14/799998414.db2.gz STIOOKLRFZLFAP-IBGZPJMESA-N 2 1 339.499 2.488 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001179987128 800199989 /nfs/dbraw/zinc/19/99/89/800199989.db2.gz LCWUYMGLNUGLSN-KSSFIOAISA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001085639723 800951813 /nfs/dbraw/zinc/95/18/13/800951813.db2.gz UVWWWYCCFRMOOV-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085639723 800951819 /nfs/dbraw/zinc/95/18/19/800951819.db2.gz UVWWWYCCFRMOOV-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001085639723 800951825 /nfs/dbraw/zinc/95/18/25/800951825.db2.gz UVWWWYCCFRMOOV-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832373 801378950 /nfs/dbraw/zinc/37/89/50/801378950.db2.gz DAHRLEWFMZBIAL-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085832373 801378959 /nfs/dbraw/zinc/37/89/59/801378959.db2.gz DAHRLEWFMZBIAL-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832373 801378965 /nfs/dbraw/zinc/37/89/65/801378965.db2.gz DAHRLEWFMZBIAL-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCC=C)CC1 ZINC001004458724 802123990 /nfs/dbraw/zinc/12/39/90/802123990.db2.gz QFJIGAPKKQLWOZ-UXHICEINSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCC=C)CC1 ZINC001004458724 802123997 /nfs/dbraw/zinc/12/39/97/802123997.db2.gz QFJIGAPKKQLWOZ-UXHICEINSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCC=C)CC1 ZINC001004458724 802124001 /nfs/dbraw/zinc/12/40/01/802124001.db2.gz QFJIGAPKKQLWOZ-UXHICEINSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCC=C)CC1 ZINC001004458724 802124007 /nfs/dbraw/zinc/12/40/07/802124007.db2.gz QFJIGAPKKQLWOZ-UXHICEINSA-N 2 1 343.515 2.363 20 30 EEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001169147049 803637220 /nfs/dbraw/zinc/63/72/20/803637220.db2.gz RWICOINIAUNJIX-PIIMJCKOSA-N 2 1 325.460 2.091 20 30 EEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001169147049 803637221 /nfs/dbraw/zinc/63/72/21/803637221.db2.gz RWICOINIAUNJIX-PIIMJCKOSA-N 2 1 325.460 2.091 20 30 EEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001169147049 803637224 /nfs/dbraw/zinc/63/72/24/803637224.db2.gz RWICOINIAUNJIX-PIIMJCKOSA-N 2 1 325.460 2.091 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001086621926 810768379 /nfs/dbraw/zinc/76/83/79/810768379.db2.gz WLWJGYAOYHDMCQ-PKOBYXMFSA-N 2 1 338.455 2.421 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001129771506 810995225 /nfs/dbraw/zinc/99/52/25/810995225.db2.gz ZXLPPBFENQFZSU-AJNOYIKESA-N 2 1 345.874 2.157 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001129771506 810995228 /nfs/dbraw/zinc/99/52/28/810995228.db2.gz ZXLPPBFENQFZSU-AJNOYIKESA-N 2 1 345.874 2.157 20 30 EEEDMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001437882488 1090458090 /nfs/dbraw/zinc/45/80/90/1090458090.db2.gz VLIHGTJRCXJTIK-KDURUIRLSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001437882488 1090458091 /nfs/dbraw/zinc/45/80/91/1090458091.db2.gz VLIHGTJRCXJTIK-KDURUIRLSA-N 2 1 340.471 2.075 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438959266 1091651630 /nfs/dbraw/zinc/65/16/30/1091651630.db2.gz HZAZWLFIIZOFNB-RBUKOAKNSA-N 2 1 342.487 2.275 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001448986876 1093988690 /nfs/dbraw/zinc/98/86/90/1093988690.db2.gz XFAGSTGEXYHLFQ-KBXCAEBGSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001496906513 1101701179 /nfs/dbraw/zinc/70/11/79/1101701179.db2.gz CWNQERMQUMQAFI-ZIAGYGMSSA-N 2 1 346.313 2.111 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCC1 ZINC001447258737 1102319323 /nfs/dbraw/zinc/31/93/23/1102319323.db2.gz NEWORLQUVYPSKS-UHFFFAOYSA-N 2 1 334.489 2.090 20 30 EEEDMP C=C(Br)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001447304158 1102407797 /nfs/dbraw/zinc/40/77/97/1102407797.db2.gz LJWUHJSTEOZUTH-AWEZNQCLSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001447304158 1102407802 /nfs/dbraw/zinc/40/78/02/1102407802.db2.gz LJWUHJSTEOZUTH-AWEZNQCLSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001447304158 1102407807 /nfs/dbraw/zinc/40/78/07/1102407807.db2.gz LJWUHJSTEOZUTH-AWEZNQCLSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001447304158 1102407810 /nfs/dbraw/zinc/40/78/10/1102407810.db2.gz LJWUHJSTEOZUTH-AWEZNQCLSA-N 2 1 346.313 2.208 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001507329852 1115195511 /nfs/dbraw/zinc/19/55/11/1115195511.db2.gz WYURFPBJWRWUBP-KGLIPLIRSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001507416709 1115258631 /nfs/dbraw/zinc/25/86/31/1115258631.db2.gz QBVQOOXLYMUAOT-MOPGFXCFSA-N 2 1 342.487 2.275 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105396793 781944330 /nfs/dbraw/zinc/94/43/30/781944330.db2.gz WHZZJJRTQSVGJI-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396793 781944338 /nfs/dbraw/zinc/94/43/38/781944338.db2.gz WHZZJJRTQSVGJI-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396793 781944344 /nfs/dbraw/zinc/94/43/44/781944344.db2.gz WHZZJJRTQSVGJI-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000422830941 240251161 /nfs/dbraw/zinc/25/11/61/240251161.db2.gz JAKQHZPRPUGZDG-MTQWCTHYSA-N 2 1 335.536 2.432 20 30 EEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000437576216 267059154 /nfs/dbraw/zinc/05/91/54/267059154.db2.gz FLTUTEUONCTWLX-GOSISDBHSA-N 2 1 331.460 2.500 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000104155703 276377875 /nfs/dbraw/zinc/37/78/75/276377875.db2.gz MNJLOHOJWUVWMD-HOTGVXAUSA-N 3 1 349.548 2.274 20 30 EEEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)N1CCCC1 ZINC000104155703 276377876 /nfs/dbraw/zinc/37/78/76/276377876.db2.gz MNJLOHOJWUVWMD-HOTGVXAUSA-N 2 1 349.548 2.274 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)N1CCCC1 ZINC000104155703 276377877 /nfs/dbraw/zinc/37/78/77/276377877.db2.gz MNJLOHOJWUVWMD-HOTGVXAUSA-N 2 1 349.548 2.274 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1csc(-c2ccco2)n1 ZINC000123607843 463354846 /nfs/dbraw/zinc/35/48/46/463354846.db2.gz SDFTYWNMBLFSFA-CYBMUJFWSA-N 2 1 333.461 2.292 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1csc(Br)c1 ZINC000261969068 463913556 /nfs/dbraw/zinc/91/35/56/463913556.db2.gz CJBYUQXDGGEBAX-LLVKDONJSA-N 2 1 345.310 2.399 20 30 EEEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(c2cccs2)CC1 ZINC000261981535 463916283 /nfs/dbraw/zinc/91/62/83/463916283.db2.gz OZEOTGOZRQMZNL-UHFFFAOYSA-N 2 1 346.504 2.041 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292901161 464376759 /nfs/dbraw/zinc/37/67/59/464376759.db2.gz GOVRXWRLSDGPPW-LJQANCHMSA-N 2 1 329.444 2.363 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292901161 464376764 /nfs/dbraw/zinc/37/67/64/464376764.db2.gz GOVRXWRLSDGPPW-LJQANCHMSA-N 2 1 329.444 2.363 20 30 EEEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292901161 464376769 /nfs/dbraw/zinc/37/67/69/464376769.db2.gz GOVRXWRLSDGPPW-LJQANCHMSA-N 2 1 329.444 2.363 20 30 EEEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292901161 464376773 /nfs/dbraw/zinc/37/67/73/464376773.db2.gz GOVRXWRLSDGPPW-LJQANCHMSA-N 2 1 329.444 2.363 20 30 EEEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000181732994 464524196 /nfs/dbraw/zinc/52/41/96/464524196.db2.gz GMYUCDMJGWKEEK-FUHWJXTLSA-N 2 1 331.460 2.476 20 30 EEEDMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C#N ZINC000363509652 466447681 /nfs/dbraw/zinc/44/76/81/466447681.db2.gz HSOBYAJIOFVBPJ-LJQANCHMSA-N 2 1 342.487 2.167 20 30 EEEDMP C=CCc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc(OC)c1O ZINC000414774000 467435119 /nfs/dbraw/zinc/43/51/19/467435119.db2.gz FBMOCYGCVFEWIZ-KRWDZBQOSA-N 2 1 346.471 2.317 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C#N)C[C@H]1C ZINC000528397522 467682168 /nfs/dbraw/zinc/68/21/68/467682168.db2.gz QMKBWWJHXZASJA-BPQIPLTHSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2C#N)C[C@H]1C ZINC000528397522 467682172 /nfs/dbraw/zinc/68/21/72/467682172.db2.gz QMKBWWJHXZASJA-BPQIPLTHSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2C#N)C[C@H]1C ZINC000528397522 467682175 /nfs/dbraw/zinc/68/21/75/467682175.db2.gz QMKBWWJHXZASJA-BPQIPLTHSA-N 2 1 331.460 2.103 20 30 EEEDMP N#CC1(C[C@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000528509514 467691659 /nfs/dbraw/zinc/69/16/59/467691659.db2.gz PWBVPLCJNPORMW-AQNXPRMDSA-N 2 1 339.483 2.495 20 30 EEEDMP N#CC1(C[C@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000528509514 467691662 /nfs/dbraw/zinc/69/16/62/467691662.db2.gz PWBVPLCJNPORMW-AQNXPRMDSA-N 2 1 339.483 2.495 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000576391690 468164851 /nfs/dbraw/zinc/16/48/51/468164851.db2.gz VGDJRZXHXLWHSW-RTBURBONSA-N 2 1 345.487 2.202 20 30 EEEDMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511680 468991283 /nfs/dbraw/zinc/99/12/83/468991283.db2.gz GCIFKRKLCWIIPJ-RTBURBONSA-N 2 1 345.487 2.156 20 30 EEEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511680 468991289 /nfs/dbraw/zinc/99/12/89/468991289.db2.gz GCIFKRKLCWIIPJ-RTBURBONSA-N 2 1 345.487 2.156 20 30 EEEDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511680 468991293 /nfs/dbraw/zinc/99/12/93/468991293.db2.gz GCIFKRKLCWIIPJ-RTBURBONSA-N 2 1 345.487 2.156 20 30 EEEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511680 468991294 /nfs/dbraw/zinc/99/12/94/468991294.db2.gz GCIFKRKLCWIIPJ-RTBURBONSA-N 2 1 345.487 2.156 20 30 EEEDMP Cc1cc(N[C@H](C)CC[NH+](C)C)c(C#N)c(N[C@@H](C)CC[NH+](C)C)[nH+]1 ZINC000596097137 469152964 /nfs/dbraw/zinc/15/29/64/469152964.db2.gz FEIRXGMTISPAHP-CABCVRRESA-N 3 1 346.523 2.766 20 30 EEEDMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000618752553 469438233 /nfs/dbraw/zinc/43/82/33/469438233.db2.gz DSGMWHYIJIWLOG-HXUWFJFHSA-N 2 1 326.488 2.467 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000730105784 576715852 /nfs/dbraw/zinc/71/58/52/576715852.db2.gz PPVAGKJWUWCHSP-IBGZPJMESA-N 2 1 327.472 2.242 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000730105784 576715853 /nfs/dbraw/zinc/71/58/53/576715853.db2.gz PPVAGKJWUWCHSP-IBGZPJMESA-N 2 1 327.472 2.242 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=C)C ZINC001021285388 675916515 /nfs/dbraw/zinc/91/65/15/675916515.db2.gz JYMBNXWLKCPHOI-IPQPSQTFSA-N 2 1 329.488 2.162 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=C)C ZINC001021285388 675916517 /nfs/dbraw/zinc/91/65/17/675916517.db2.gz JYMBNXWLKCPHOI-IPQPSQTFSA-N 2 1 329.488 2.162 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(=C)C ZINC001021285388 675916518 /nfs/dbraw/zinc/91/65/18/675916518.db2.gz JYMBNXWLKCPHOI-IPQPSQTFSA-N 2 1 329.488 2.162 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(=C)C ZINC001021285388 675916521 /nfs/dbraw/zinc/91/65/21/675916521.db2.gz JYMBNXWLKCPHOI-IPQPSQTFSA-N 2 1 329.488 2.162 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001021285642 675916688 /nfs/dbraw/zinc/91/66/88/675916688.db2.gz PYPMZDMGCIJRMW-IPQPSQTFSA-N 2 1 329.488 2.162 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001021285642 675916690 /nfs/dbraw/zinc/91/66/90/675916690.db2.gz PYPMZDMGCIJRMW-IPQPSQTFSA-N 2 1 329.488 2.162 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001021285642 675916691 /nfs/dbraw/zinc/91/66/91/675916691.db2.gz PYPMZDMGCIJRMW-IPQPSQTFSA-N 2 1 329.488 2.162 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001021285642 675916692 /nfs/dbraw/zinc/91/66/92/675916692.db2.gz PYPMZDMGCIJRMW-IPQPSQTFSA-N 2 1 329.488 2.162 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180137 675922889 /nfs/dbraw/zinc/92/28/89/675922889.db2.gz LWXCKESWQBYBFW-OALUTQOASA-N 2 1 333.520 2.156 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620343 676274968 /nfs/dbraw/zinc/27/49/68/676274968.db2.gz RWJAVSJINQRECP-YJBOKZPZSA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620343 676274969 /nfs/dbraw/zinc/27/49/69/676274969.db2.gz RWJAVSJINQRECP-YJBOKZPZSA-N 2 1 346.475 2.239 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021624201 676278873 /nfs/dbraw/zinc/27/88/73/676278873.db2.gz SZZMLZGQKBNDAU-PKOBYXMFSA-N 2 1 336.439 2.284 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735416 676393749 /nfs/dbraw/zinc/39/37/49/676393749.db2.gz FCEMSVULRJJGQL-HOTGVXAUSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735416 676393750 /nfs/dbraw/zinc/39/37/50/676393750.db2.gz FCEMSVULRJJGQL-HOTGVXAUSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001022220970 676742547 /nfs/dbraw/zinc/74/25/47/676742547.db2.gz UZHDIFUWQXZFHT-NSHGMRRFSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001022220970 676742548 /nfs/dbraw/zinc/74/25/48/676742548.db2.gz UZHDIFUWQXZFHT-NSHGMRRFSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001022221742 676743081 /nfs/dbraw/zinc/74/30/81/676743081.db2.gz NHZAPUBPBQHYEG-FZDIXFNVSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001022221742 676743082 /nfs/dbraw/zinc/74/30/82/676743082.db2.gz NHZAPUBPBQHYEG-FZDIXFNVSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001023422752 679301730 /nfs/dbraw/zinc/30/17/30/679301730.db2.gz QTFXBWJRULWUCW-AEFFLSMTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001023422752 679301731 /nfs/dbraw/zinc/30/17/31/679301731.db2.gz QTFXBWJRULWUCW-AEFFLSMTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001023422752 679301732 /nfs/dbraw/zinc/30/17/32/679301732.db2.gz QTFXBWJRULWUCW-AEFFLSMTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001023422752 679301733 /nfs/dbraw/zinc/30/17/33/679301733.db2.gz QTFXBWJRULWUCW-AEFFLSMTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028600822 681347605 /nfs/dbraw/zinc/34/76/05/681347605.db2.gz DWHHHZXFZAGJGY-OALUTQOASA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028600822 681347610 /nfs/dbraw/zinc/34/76/10/681347610.db2.gz DWHHHZXFZAGJGY-OALUTQOASA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028600822 681347615 /nfs/dbraw/zinc/34/76/15/681347615.db2.gz DWHHHZXFZAGJGY-OALUTQOASA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028600822 681347621 /nfs/dbraw/zinc/34/76/21/681347621.db2.gz DWHHHZXFZAGJGY-OALUTQOASA-N 2 1 329.488 2.023 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028600822 681347625 /nfs/dbraw/zinc/34/76/25/681347625.db2.gz DWHHHZXFZAGJGY-OALUTQOASA-N 2 1 329.488 2.023 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982833838 681358470 /nfs/dbraw/zinc/35/84/70/681358470.db2.gz QLRDYLAEBZHBDY-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982833838 681358476 /nfs/dbraw/zinc/35/84/76/681358476.db2.gz QLRDYLAEBZHBDY-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982833838 681358481 /nfs/dbraw/zinc/35/84/81/681358481.db2.gz QLRDYLAEBZHBDY-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642589 681950918 /nfs/dbraw/zinc/95/09/18/681950918.db2.gz RRIHLZPJMNUALH-JYRKZWEQSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982642589 681950922 /nfs/dbraw/zinc/95/09/22/681950922.db2.gz RRIHLZPJMNUALH-JYRKZWEQSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982642589 681950926 /nfs/dbraw/zinc/95/09/26/681950926.db2.gz RRIHLZPJMNUALH-JYRKZWEQSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000982741663 682124094 /nfs/dbraw/zinc/12/40/94/682124094.db2.gz RYPOUCLVLACCJF-KDURUIRLSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026508955 684706991 /nfs/dbraw/zinc/70/69/91/684706991.db2.gz RORGEWGAGZJUOO-ACBHZAAOSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026508955 684706994 /nfs/dbraw/zinc/70/69/94/684706994.db2.gz RORGEWGAGZJUOO-ACBHZAAOSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CC(=C)Cl)CC2)CC1 ZINC000985803179 687727542 /nfs/dbraw/zinc/72/75/42/687727542.db2.gz CKSMDSDSQJQVPN-UHFFFAOYSA-N 2 1 337.895 2.007 20 30 EEEDMP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262763231 688384976 /nfs/dbraw/zinc/38/49/76/688384976.db2.gz GMLFXKMIQCWHAT-RRIFGTCXSA-N 2 1 336.524 2.108 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028215 1193332565 /nfs/dbraw/zinc/33/25/65/1193332565.db2.gz FYTFJGWNDWPZBX-LPHOPBHVSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001105447682 1187206933 /nfs/dbraw/zinc/20/69/33/1187206933.db2.gz LXMDFUCMZWTIHW-TYKWCNGQSA-N 2 1 341.499 2.156 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001105579249 1188195004 /nfs/dbraw/zinc/19/50/04/1188195004.db2.gz NBWBVNKWWHNHSP-SFHVURJKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCN1c2ccccc2[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272869770 1193585906 /nfs/dbraw/zinc/58/59/06/1193585906.db2.gz BEYOWLUITWBJEJ-OAQYLSRUSA-N 2 1 339.483 2.198 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001486129137 1193689508 /nfs/dbraw/zinc/68/95/08/1193689508.db2.gz MMYRLVKGXGQIAK-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(CC)CC)CC1 ZINC001005517878 1195884955 /nfs/dbraw/zinc/88/49/55/1195884955.db2.gz GRWFXABKQPYUBS-IBGZPJMESA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(CC)CC)CC1 ZINC001005517878 1195884958 /nfs/dbraw/zinc/88/49/58/1195884958.db2.gz GRWFXABKQPYUBS-IBGZPJMESA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210983 1195949493 /nfs/dbraw/zinc/94/94/93/1195949493.db2.gz JVKHJQWVIWPJHJ-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210983 1195949495 /nfs/dbraw/zinc/94/94/95/1195949495.db2.gz JVKHJQWVIWPJHJ-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210983 1195949497 /nfs/dbraw/zinc/94/94/97/1195949497.db2.gz JVKHJQWVIWPJHJ-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001034539091 1196362201 /nfs/dbraw/zinc/36/22/01/1196362201.db2.gz VHERZINLVLJGGJ-MJGOQNOKSA-N 2 1 333.520 2.348 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001132273482 1199520947 /nfs/dbraw/zinc/52/09/47/1199520947.db2.gz GGDPMXRQXWRDAY-PBHICJAKSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001132273482 1199520951 /nfs/dbraw/zinc/52/09/51/1199520951.db2.gz GGDPMXRQXWRDAY-PBHICJAKSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCC=C)C2)CC1 ZINC001132517647 1199801229 /nfs/dbraw/zinc/80/12/29/1199801229.db2.gz GFAOSCIKYVGTMP-IEBWSBKVSA-N 2 1 331.504 2.267 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(Cc2ccccn2)C(=O)CC[NH+](C)C)CC1 ZINC001132554554 1199860183 /nfs/dbraw/zinc/86/01/83/1199860183.db2.gz IYULJBGTEQEWCN-LJQANCHMSA-N 2 1 344.503 2.402 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001132986255 1200277712 /nfs/dbraw/zinc/27/77/12/1200277712.db2.gz DMVZOPITFYUVFK-SJORKVTESA-N 2 1 344.503 2.412 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001114403643 1201640517 /nfs/dbraw/zinc/64/05/17/1201640517.db2.gz WGOSYBGAECCVPB-ZSYWTGECSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001114403643 1201640518 /nfs/dbraw/zinc/64/05/18/1201640518.db2.gz WGOSYBGAECCVPB-ZSYWTGECSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001114403643 1201640520 /nfs/dbraw/zinc/64/05/20/1201640520.db2.gz WGOSYBGAECCVPB-ZSYWTGECSA-N 2 1 331.504 2.406 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccc(C#N)cc1)C2 ZINC001274892476 1205202144 /nfs/dbraw/zinc/20/21/44/1205202144.db2.gz RTMQBEAESXMHQM-UXHICEINSA-N 2 1 326.488 2.059 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001275327385 1205309979 /nfs/dbraw/zinc/30/99/79/1205309979.db2.gz PZVXDGDIPVTMEV-UHFFFAOYSA-N 2 1 330.451 2.157 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000948389868 1209108017 /nfs/dbraw/zinc/10/80/17/1209108017.db2.gz ZNBQUPVCVYZUOY-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000948389868 1209108019 /nfs/dbraw/zinc/10/80/19/1209108019.db2.gz ZNBQUPVCVYZUOY-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000948389868 1209108020 /nfs/dbraw/zinc/10/80/20/1209108020.db2.gz ZNBQUPVCVYZUOY-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000948389868 1209108021 /nfs/dbraw/zinc/10/80/21/1209108021.db2.gz ZNBQUPVCVYZUOY-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000950504989 1210251426 /nfs/dbraw/zinc/25/14/26/1210251426.db2.gz JIEXFLBKCSMBIL-LJQANCHMSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000950504989 1210251430 /nfs/dbraw/zinc/25/14/30/1210251430.db2.gz JIEXFLBKCSMBIL-LJQANCHMSA-N 2 1 349.519 2.129 20 30 EEEDMP C[C@@H]1CCCN(C(=[NH2+])NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000303776522 1213905094 /nfs/dbraw/zinc/90/50/94/1213905094.db2.gz HVCRKRUCRAALBK-MRXNPFEDSA-N 2 1 330.476 2.065 20 30 EEEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N[C@H](C)CCCC(C)C)CC1 ZINC000303885430 1213920942 /nfs/dbraw/zinc/92/09/42/1213920942.db2.gz NDRPSOCKZUKSOZ-QZTJIDSGSA-N 2 1 339.572 2.379 20 30 EEEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N[C@@H](C)CCCC(C)C)CC1 ZINC000303885428 1213921192 /nfs/dbraw/zinc/92/11/92/1213921192.db2.gz NDRPSOCKZUKSOZ-MSOLQXFVSA-N 2 1 339.572 2.379 20 30 EEEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000304762537 1216104375 /nfs/dbraw/zinc/10/43/75/1216104375.db2.gz VTRVKQHKHLBDHX-OAHLLOKOSA-N 2 1 349.910 2.119 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961412668 1217179997 /nfs/dbraw/zinc/17/99/97/1217179997.db2.gz UIJAMMPUWYUOHZ-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337330 1217532539 /nfs/dbraw/zinc/53/25/39/1217532539.db2.gz NYRPIJMLHYEUEW-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963337330 1217532541 /nfs/dbraw/zinc/53/25/41/1217532541.db2.gz NYRPIJMLHYEUEW-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963381691 1217577887 /nfs/dbraw/zinc/57/78/87/1217577887.db2.gz BQDSZPIRLDEBNF-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000963830428 1218062417 /nfs/dbraw/zinc/06/24/17/1218062417.db2.gz NVRPUTOYSJKOSQ-KBMGIXFMSA-N 2 1 325.884 2.096 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968859058 1221628253 /nfs/dbraw/zinc/62/82/53/1221628253.db2.gz LFQLGGYWMXWVNJ-SJORKVTESA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968859058 1221628255 /nfs/dbraw/zinc/62/82/55/1221628255.db2.gz LFQLGGYWMXWVNJ-SJORKVTESA-N 2 1 339.911 2.442 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC000968888770 1221647772 /nfs/dbraw/zinc/64/77/72/1221647772.db2.gz ZJUCCSLZDZVYDJ-IRXDYDNUSA-N 2 1 328.460 2.145 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888770 1221647774 /nfs/dbraw/zinc/64/77/74/1221647774.db2.gz ZJUCCSLZDZVYDJ-IRXDYDNUSA-N 2 1 328.460 2.145 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888770 1221647776 /nfs/dbraw/zinc/64/77/76/1221647776.db2.gz ZJUCCSLZDZVYDJ-IRXDYDNUSA-N 2 1 328.460 2.145 20 30 EEEDMP N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)c1 ZINC000968915792 1221666901 /nfs/dbraw/zinc/66/69/01/1221666901.db2.gz QTXFHOMEQAHBQY-QZTJIDSGSA-N 2 1 349.438 2.023 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001008532461 1222909737 /nfs/dbraw/zinc/90/97/37/1222909737.db2.gz OFPHMMCVCCYRHO-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001008532461 1222909740 /nfs/dbraw/zinc/90/97/40/1222909740.db2.gz OFPHMMCVCCYRHO-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001008532461 1222909743 /nfs/dbraw/zinc/90/97/43/1222909743.db2.gz OFPHMMCVCCYRHO-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001008532461 1222909745 /nfs/dbraw/zinc/90/97/45/1222909745.db2.gz OFPHMMCVCCYRHO-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001016336634 1226360939 /nfs/dbraw/zinc/36/09/39/1226360939.db2.gz CVQORDKKBYTXIA-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001016336634 1226360943 /nfs/dbraw/zinc/36/09/43/1226360943.db2.gz CVQORDKKBYTXIA-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001016336634 1226360948 /nfs/dbraw/zinc/36/09/48/1226360948.db2.gz CVQORDKKBYTXIA-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001016336634 1226360952 /nfs/dbraw/zinc/36/09/52/1226360952.db2.gz CVQORDKKBYTXIA-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001017851966 1227797360 /nfs/dbraw/zinc/79/73/60/1227797360.db2.gz LDFRSXMQEWOJOG-YTQUADARSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001017851966 1227797364 /nfs/dbraw/zinc/79/73/64/1227797364.db2.gz LDFRSXMQEWOJOG-YTQUADARSA-N 2 1 342.487 2.395 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001020214241 1229559084 /nfs/dbraw/zinc/55/90/84/1229559084.db2.gz NGQNHTQJVXSQBP-FHWLQOOXSA-N 2 1 340.471 2.169 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039164992 1230386884 /nfs/dbraw/zinc/38/68/84/1230386884.db2.gz JMXNXXJUVZFQKL-FQEVSTJZSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC(C)C)CC1 ZINC001040014273 1230964303 /nfs/dbraw/zinc/96/43/03/1230964303.db2.gz IUJYNIXCNLMARA-KDURUIRLSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040279969 1231149408 /nfs/dbraw/zinc/14/94/08/1231149408.db2.gz BPEPQSCGJYOKKM-HXUWFJFHSA-N 2 1 336.439 2.286 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041348184 1231514492 /nfs/dbraw/zinc/51/44/92/1231514492.db2.gz GYKVRTJEBJQVGT-UYAOXDASSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348184 1231514493 /nfs/dbraw/zinc/51/44/93/1231514493.db2.gz GYKVRTJEBJQVGT-UYAOXDASSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041348184 1231514494 /nfs/dbraw/zinc/51/44/94/1231514494.db2.gz GYKVRTJEBJQVGT-UYAOXDASSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041421870 1231540065 /nfs/dbraw/zinc/54/00/65/1231540065.db2.gz LAAXFHRXVNXXEP-FQEVSTJZSA-N 2 1 336.439 2.204 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001041852868 1231733395 /nfs/dbraw/zinc/73/33/95/1231733395.db2.gz YSPZKHYAUYDNGY-HXUWFJFHSA-N 2 1 343.471 2.293 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063463 1231861970 /nfs/dbraw/zinc/86/19/70/1231861970.db2.gz XGUKLRRIHVNXQW-ZWKOTPCHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCC4CC4)[C@H]3C2)CC1 ZINC001042369414 1232051065 /nfs/dbraw/zinc/05/10/65/1232051065.db2.gz XTSYZVGQBJSGRS-QUCCMNQESA-N 2 1 343.515 2.055 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001045200863 1233577026 /nfs/dbraw/zinc/57/70/26/1233577026.db2.gz SPCQQNQEMQFCLB-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045965635 1234244468 /nfs/dbraw/zinc/24/44/68/1234244468.db2.gz JTVLHEQPOXIFBN-OAQYLSRUSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045972038 1234256075 /nfs/dbraw/zinc/25/60/75/1234256075.db2.gz VHHXHWVCTOTDAV-OAQYLSRUSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046317948 1234663089 /nfs/dbraw/zinc/66/30/89/1234663089.db2.gz JITSMIYMQUCQPO-XLIONFOSSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046317948 1234663092 /nfs/dbraw/zinc/66/30/92/1234663092.db2.gz JITSMIYMQUCQPO-XLIONFOSSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046317948 1234663093 /nfs/dbraw/zinc/66/30/93/1234663093.db2.gz JITSMIYMQUCQPO-XLIONFOSSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047256482 1235759669 /nfs/dbraw/zinc/75/96/69/1235759669.db2.gz KWISASCQRAJFIR-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC001000173735 1240024057 /nfs/dbraw/zinc/02/40/57/1240024057.db2.gz IOJIDWYVSRZKIH-INIZCTEOSA-N 2 1 328.460 2.307 20 30 EEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000262206 1240110229 /nfs/dbraw/zinc/11/02/29/1240110229.db2.gz SJUNMJWOORNKQT-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478557 1241076896 /nfs/dbraw/zinc/07/68/96/1241076896.db2.gz PTGWZZKQVFCEQW-CEXWTWQISA-N 2 1 331.504 2.360 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677647 1241851752 /nfs/dbraw/zinc/85/17/52/1241851752.db2.gz VNVBBIJEDITEGK-IRXDYDNUSA-N 2 1 329.444 2.043 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H](F)CC)CC1 ZINC001049909739 1242658400 /nfs/dbraw/zinc/65/84/00/1242658400.db2.gz CDLJDCKLLAZETG-OTWHNJEPSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049913587 1242678171 /nfs/dbraw/zinc/67/81/71/1242678171.db2.gz DDMBRQBHIKZUBX-IPMKNSEASA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050047967 1242718570 /nfs/dbraw/zinc/71/85/70/1242718570.db2.gz WGYWLPDNHCFFNU-GBESFXJTSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC001050263805 1243210233 /nfs/dbraw/zinc/21/02/33/1243210233.db2.gz OHLNYBKWMVFIAJ-APWZRJJASA-N 2 1 327.472 2.459 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC001050263805 1243210244 /nfs/dbraw/zinc/21/02/44/1243210244.db2.gz OHLNYBKWMVFIAJ-APWZRJJASA-N 2 1 327.472 2.459 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001050546607 1243823381 /nfs/dbraw/zinc/82/33/81/1243823381.db2.gz PANYXFXZMRWQEH-INIZCTEOSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)CC1 ZINC001050740852 1244258321 /nfs/dbraw/zinc/25/83/21/1244258321.db2.gz XDLUUCALDGGGKV-FQEVSTJZSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CCC[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cccc2C1 ZINC001051291136 1245487101 /nfs/dbraw/zinc/48/71/01/1245487101.db2.gz LPJPUYJVCYYAFG-VQIMIIECSA-N 2 1 339.483 2.024 20 30 EEEDMP C#CCC[N@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291136 1245487104 /nfs/dbraw/zinc/48/71/04/1245487104.db2.gz LPJPUYJVCYYAFG-VQIMIIECSA-N 2 1 339.483 2.024 20 30 EEEDMP C#CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291136 1245487106 /nfs/dbraw/zinc/48/71/06/1245487106.db2.gz LPJPUYJVCYYAFG-VQIMIIECSA-N 2 1 339.483 2.024 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257459 1245582197 /nfs/dbraw/zinc/58/21/97/1245582197.db2.gz VFBMWKQYZBUXBL-VYDXJSESSA-N 2 1 345.890 2.199 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257459 1245582202 /nfs/dbraw/zinc/58/22/02/1245582202.db2.gz VFBMWKQYZBUXBL-VYDXJSESSA-N 2 1 345.890 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096415 1245893530 /nfs/dbraw/zinc/89/35/30/1245893530.db2.gz SXHKQGGSTQFBEC-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)CO2 ZINC001053980118 1247101880 /nfs/dbraw/zinc/10/18/80/1247101880.db2.gz HPHXGFFMPGIATE-QZTJIDSGSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)CO2 ZINC001053980118 1247101882 /nfs/dbraw/zinc/10/18/82/1247101882.db2.gz HPHXGFFMPGIATE-QZTJIDSGSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC(=C)C)C2)C1 ZINC001054146517 1247521341 /nfs/dbraw/zinc/52/13/41/1247521341.db2.gz FTGMJZVHXZNXBB-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC(=C)C)C2)C1 ZINC001054146517 1247521345 /nfs/dbraw/zinc/52/13/45/1247521345.db2.gz FTGMJZVHXZNXBB-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(=C)C)C2)C1 ZINC001054146517 1247521347 /nfs/dbraw/zinc/52/13/47/1247521347.db2.gz FTGMJZVHXZNXBB-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(=C)C)C2)C1 ZINC001054146517 1247521350 /nfs/dbraw/zinc/52/13/50/1247521350.db2.gz FTGMJZVHXZNXBB-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054181846 1247633662 /nfs/dbraw/zinc/63/36/62/1247633662.db2.gz AFHBGVMVEAASDJ-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054181846 1247633672 /nfs/dbraw/zinc/63/36/72/1247633672.db2.gz AFHBGVMVEAASDJ-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054181846 1247633679 /nfs/dbraw/zinc/63/36/79/1247633679.db2.gz AFHBGVMVEAASDJ-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245198 1247862205 /nfs/dbraw/zinc/86/22/05/1247862205.db2.gz PSOCHMXPMYGUNE-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246114 1247864768 /nfs/dbraw/zinc/86/47/68/1247864768.db2.gz NZLHERDZNSCGEE-TZIWHRDSSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246114 1247864786 /nfs/dbraw/zinc/86/47/86/1247864786.db2.gz NZLHERDZNSCGEE-TZIWHRDSSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CC(C)C)C2 ZINC001054268358 1247945377 /nfs/dbraw/zinc/94/53/77/1247945377.db2.gz VTWRENLKQFDMJJ-FQEVSTJZSA-N 2 1 339.483 2.372 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CC(C)C)C2 ZINC001054268358 1247945383 /nfs/dbraw/zinc/94/53/83/1247945383.db2.gz VTWRENLKQFDMJJ-FQEVSTJZSA-N 2 1 339.483 2.372 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC(C)C)C2 ZINC001054268358 1247945393 /nfs/dbraw/zinc/94/53/93/1247945393.db2.gz VTWRENLKQFDMJJ-FQEVSTJZSA-N 2 1 339.483 2.372 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC(C)C)C2 ZINC001054268358 1247945401 /nfs/dbraw/zinc/94/54/01/1247945401.db2.gz VTWRENLKQFDMJJ-FQEVSTJZSA-N 2 1 339.483 2.372 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099111948 1257972167 /nfs/dbraw/zinc/97/21/67/1257972167.db2.gz WUVQTMLSJQOTRY-ICSRJNTNSA-N 2 1 331.504 2.265 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001186196027 1278985152 /nfs/dbraw/zinc/98/51/52/1278985152.db2.gz CZGUBTIKWHZZTB-IEBWSBKVSA-N 2 1 347.478 2.485 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135883 1280150071 /nfs/dbraw/zinc/15/00/71/1280150071.db2.gz QRGDKWCLUUBYIH-ZIFCJYIRSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135883 1280150075 /nfs/dbraw/zinc/15/00/75/1280150075.db2.gz QRGDKWCLUUBYIH-ZIFCJYIRSA-N 2 1 342.487 2.253 20 30 EEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408118 1282474049 /nfs/dbraw/zinc/47/40/49/1282474049.db2.gz DPENIAOAFCIUQM-ICSRJNTNSA-N 2 1 327.472 2.019 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001223257593 1300040857 /nfs/dbraw/zinc/04/08/57/1300040857.db2.gz BBUGOYWVYSHTCC-INIZCTEOSA-N 2 1 330.476 2.248 20 30 EEEDMP C=CCOCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227793097 1301968221 /nfs/dbraw/zinc/96/82/21/1301968221.db2.gz ZZWREFISQYTPSE-SFHVURJKSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103533791 1303082603 /nfs/dbraw/zinc/08/26/03/1303082603.db2.gz BFPYXFOMMWDQKW-SJLPKXTDSA-N 2 1 330.476 2.069 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103533791 1303082617 /nfs/dbraw/zinc/08/26/17/1303082617.db2.gz BFPYXFOMMWDQKW-SJLPKXTDSA-N 2 1 330.476 2.069 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230597993 1303304290 /nfs/dbraw/zinc/30/42/90/1303304290.db2.gz BUULNFPRFCLMLI-RTBURBONSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001230611107 1303317034 /nfs/dbraw/zinc/31/70/34/1303317034.db2.gz LZQYOTKVBOPWKQ-LJQANCHMSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001230611107 1303317041 /nfs/dbraw/zinc/31/70/41/1303317041.db2.gz LZQYOTKVBOPWKQ-LJQANCHMSA-N 2 1 342.487 2.308 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001111875945 1304039378 /nfs/dbraw/zinc/03/93/78/1304039378.db2.gz LTPPMJKSIBMTHI-HBFSDRIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001277787984 1304494989 /nfs/dbraw/zinc/49/49/89/1304494989.db2.gz CIBBKMGTCVERSY-APWZRJJASA-N 2 1 345.491 2.204 20 30 EEEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115598760 1305481571 /nfs/dbraw/zinc/48/15/71/1305481571.db2.gz XVGNJLOHFKQUJA-QGZVFWFLSA-N 2 1 337.508 2.082 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120422845 1309524689 /nfs/dbraw/zinc/52/46/89/1309524689.db2.gz PEPCGLLMRBCWGH-HOTGVXAUSA-N 2 1 327.900 2.394 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001149946777 1316098699 /nfs/dbraw/zinc/09/86/99/1316098699.db2.gz PEJIVJHIUTUJFE-SFHVURJKSA-N 2 1 342.443 2.121 20 30 EEEDMP C=CCCCCC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150777917 1316372260 /nfs/dbraw/zinc/37/22/60/1316372260.db2.gz HLUMNFSPSKRREH-GOSISDBHSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150777917 1316372262 /nfs/dbraw/zinc/37/22/62/1316372262.db2.gz HLUMNFSPSKRREH-GOSISDBHSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150777917 1316372268 /nfs/dbraw/zinc/37/22/68/1316372268.db2.gz HLUMNFSPSKRREH-GOSISDBHSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001151174530 1316466969 /nfs/dbraw/zinc/46/69/69/1316466969.db2.gz DKTCLHZSLTZSGT-QZTJIDSGSA-N 2 1 349.519 2.177 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033789 1316941195 /nfs/dbraw/zinc/94/11/95/1316941195.db2.gz MWGHYLMHHJUIBW-PBHICJAKSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033789 1316941197 /nfs/dbraw/zinc/94/11/97/1316941197.db2.gz MWGHYLMHHJUIBW-PBHICJAKSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033789 1316941199 /nfs/dbraw/zinc/94/11/99/1316941199.db2.gz MWGHYLMHHJUIBW-PBHICJAKSA-N 2 1 348.516 2.431 20 30 EEEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001252481584 1317613731 /nfs/dbraw/zinc/61/37/31/1317613731.db2.gz DHKISPXRICEZDG-UAFMIMERSA-N 2 1 330.472 2.050 20 30 EEEDMP C=CCOC(=O)N1CC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001256622254 1318804853 /nfs/dbraw/zinc/80/48/53/1318804853.db2.gz GGRNTAWUHUHADE-SJPCQFCGSA-N 2 1 333.476 2.332 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001157981318 1318958106 /nfs/dbraw/zinc/95/81/06/1318958106.db2.gz GBEZGAFMCJBSTK-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001157981318 1318958109 /nfs/dbraw/zinc/95/81/09/1318958109.db2.gz GBEZGAFMCJBSTK-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001157981318 1318958116 /nfs/dbraw/zinc/95/81/16/1318958116.db2.gz GBEZGAFMCJBSTK-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001157981318 1318958117 /nfs/dbraw/zinc/95/81/17/1318958117.db2.gz GBEZGAFMCJBSTK-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001157981318 1318958121 /nfs/dbraw/zinc/95/81/21/1318958121.db2.gz GBEZGAFMCJBSTK-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC001158030575 1318978057 /nfs/dbraw/zinc/97/80/57/1318978057.db2.gz UTTNBCCKKLMEJG-RBUKOAKNSA-N 2 1 340.471 2.029 20 30 EEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001158233969 1319103643 /nfs/dbraw/zinc/10/36/43/1319103643.db2.gz VOETZCMIWHFMJE-MRXNPFEDSA-N 2 1 330.476 2.261 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001158233969 1319103651 /nfs/dbraw/zinc/10/36/51/1319103651.db2.gz VOETZCMIWHFMJE-MRXNPFEDSA-N 2 1 330.476 2.261 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160151463 1320085303 /nfs/dbraw/zinc/08/53/03/1320085303.db2.gz VCPHESMYKJETET-QGZVFWFLSA-N 2 1 337.895 2.219 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160151463 1320085308 /nfs/dbraw/zinc/08/53/08/1320085308.db2.gz VCPHESMYKJETET-QGZVFWFLSA-N 2 1 337.895 2.219 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001160209774 1320100205 /nfs/dbraw/zinc/10/02/05/1320100205.db2.gz WDOSJPMJWLMXLR-YJBOKZPZSA-N 2 1 331.435 2.080 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001160209774 1320100207 /nfs/dbraw/zinc/10/02/07/1320100207.db2.gz WDOSJPMJWLMXLR-YJBOKZPZSA-N 2 1 331.435 2.080 20 30 EEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001161029001 1320359799 /nfs/dbraw/zinc/35/97/99/1320359799.db2.gz JNKPUHNGIJRRRO-GOSISDBHSA-N 2 1 342.487 2.468 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001161029001 1320359803 /nfs/dbraw/zinc/35/98/03/1320359803.db2.gz JNKPUHNGIJRRRO-GOSISDBHSA-N 2 1 342.487 2.468 20 30 EEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001161599509 1320553943 /nfs/dbraw/zinc/55/39/43/1320553943.db2.gz ZDWLZGSNAPORPN-UHFFFAOYSA-N 2 1 349.519 2.202 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001162836886 1320971054 /nfs/dbraw/zinc/97/10/54/1320971054.db2.gz VRUILHWFRJKYQM-FQEVSTJZSA-N 2 1 341.499 2.155 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203491857 1321895342 /nfs/dbraw/zinc/89/53/42/1321895342.db2.gz HFKRHBZVIQRGFS-IAGOWNOFSA-N 2 1 328.460 2.012 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205448517 1323138849 /nfs/dbraw/zinc/13/88/49/1323138849.db2.gz HKTDFUJGAKLCML-RBUKOAKNSA-N 2 1 345.462 2.075 20 30 EEEDMP C=CCCC[NH2+]CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001205590835 1323208504 /nfs/dbraw/zinc/20/85/04/1323208504.db2.gz UXLNLAXVEXDREA-UHFFFAOYSA-N 2 1 334.464 2.144 20 30 EEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001206275172 1323443871 /nfs/dbraw/zinc/44/38/71/1323443871.db2.gz PELMVXGFNUUNQH-GOSISDBHSA-N 2 1 325.472 2.213 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001206695449 1323565427 /nfs/dbraw/zinc/56/54/27/1323565427.db2.gz CJTKJRUSPIOERW-UHFFFAOYSA-N 2 1 339.443 2.285 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCCO1 ZINC001200858708 1338690896 /nfs/dbraw/zinc/69/08/96/1338690896.db2.gz IBXPUIDJJJKUGI-KRWDZBQOSA-N 2 1 337.508 2.033 20 30 EEEDMP C[NH+]=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)NC1CC1 ZINC000849036462 1338829645 /nfs/dbraw/zinc/82/96/45/1338829645.db2.gz SSAXASVRUGNURZ-UHFFFAOYSA-N 2 1 349.910 2.180 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001566773586 1342628379 /nfs/dbraw/zinc/62/83/79/1342628379.db2.gz MBLGIFOUQKRWIO-IBGZPJMESA-N 2 1 329.488 2.318 20 30 EEEDMP C#Cc1ccc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1 ZINC001574757363 1343697161 /nfs/dbraw/zinc/69/71/61/1343697161.db2.gz MYGGYOOIMKFHTN-IBGZPJMESA-N 2 1 349.482 2.180 20 30 EEEDMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001366223359 1373847073 /nfs/dbraw/zinc/84/70/73/1373847073.db2.gz JGSVWIQSMJNGRE-MOPGFXCFSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001366223359 1373847079 /nfs/dbraw/zinc/84/70/79/1373847079.db2.gz JGSVWIQSMJNGRE-MOPGFXCFSA-N 2 1 342.487 2.369 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001378205004 1379785579 /nfs/dbraw/zinc/78/55/79/1379785579.db2.gz VRMNTAHDNNEKGG-KBXCAEBGSA-N 2 1 348.466 2.220 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001379700563 1380830670 /nfs/dbraw/zinc/83/06/70/1380830670.db2.gz ADSGDQVKXPCISO-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cccc(C#N)c1 ZINC001390918327 1388876315 /nfs/dbraw/zinc/87/63/15/1388876315.db2.gz YXOVOBHFUPTJHE-SFHVURJKSA-N 2 1 330.476 2.083 20 30 EEEDMP CC[C@@H](C(=O)NCC[N@H+](Cc1ccc(C#N)s1)C1CC1)[NH+](C)C ZINC001391193381 1389115652 /nfs/dbraw/zinc/11/56/52/1389115652.db2.gz YTXBIAVMKMSLGN-INIZCTEOSA-N 2 1 334.489 2.041 20 30 EEEDMP CC[C@@H](C(=O)NCC[N@@H+](Cc1ccc(C#N)s1)C1CC1)[NH+](C)C ZINC001391193381 1389115665 /nfs/dbraw/zinc/11/56/65/1389115665.db2.gz YTXBIAVMKMSLGN-INIZCTEOSA-N 2 1 334.489 2.041 20 30 EEEDMP C=C(Cl)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001392973557 1390269730 /nfs/dbraw/zinc/26/97/30/1390269730.db2.gz CIKYKENNGYVVIH-MRXNPFEDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001392973557 1390269734 /nfs/dbraw/zinc/26/97/34/1390269734.db2.gz CIKYKENNGYVVIH-MRXNPFEDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001392973557 1390269737 /nfs/dbraw/zinc/26/97/37/1390269737.db2.gz CIKYKENNGYVVIH-MRXNPFEDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001393746967 1390526697 /nfs/dbraw/zinc/52/66/97/1390526697.db2.gz LAVPSPKQJKLTRJ-GXTWGEPZSA-N 2 1 346.313 2.063 20 30 EEEDMP C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001752910708 1406537636 /nfs/dbraw/zinc/53/76/36/1406537636.db2.gz UVGOOWWYHDNPLN-LSDHHAIUSA-N 2 1 327.432 2.330 20 30 EEEDMP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C#N)cc1F ZINC001399709229 1395428993 /nfs/dbraw/zinc/42/89/93/1395428993.db2.gz PYUHDIIAXAVZNW-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C#N)cc1F ZINC001399709229 1395428997 /nfs/dbraw/zinc/42/89/97/1395428997.db2.gz PYUHDIIAXAVZNW-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001400720954 1396555467 /nfs/dbraw/zinc/55/54/67/1396555467.db2.gz JKEOPJFBUPIGCV-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001400720954 1396555474 /nfs/dbraw/zinc/55/54/74/1396555474.db2.gz JKEOPJFBUPIGCV-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001400720954 1396555489 /nfs/dbraw/zinc/55/54/89/1396555489.db2.gz JKEOPJFBUPIGCV-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C ZINC001402051035 1397736731 /nfs/dbraw/zinc/73/67/31/1397736731.db2.gz ITBIIEUQJMTMKD-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001402152309 1397799428 /nfs/dbraw/zinc/79/94/28/1397799428.db2.gz DXGBOBACVVFDHM-SJLPKXTDSA-N 2 1 346.500 2.042 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2C#N)C1 ZINC001402168211 1397812155 /nfs/dbraw/zinc/81/21/55/1397812155.db2.gz DUHRFSOWHKZMIF-FQEVSTJZSA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402208448 1397852739 /nfs/dbraw/zinc/85/27/39/1397852739.db2.gz JKROEZKOFZHKKJ-MRXNPFEDSA-N 2 1 327.900 2.299 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402208448 1397852747 /nfs/dbraw/zinc/85/27/47/1397852747.db2.gz JKROEZKOFZHKKJ-MRXNPFEDSA-N 2 1 327.900 2.299 20 30 EEEDMP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCC=C)CC1 ZINC001754638955 1406937259 /nfs/dbraw/zinc/93/72/59/1406937259.db2.gz QFKUTNXHOSHCIR-GOSISDBHSA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001754945774 1407008304 /nfs/dbraw/zinc/00/83/04/1407008304.db2.gz ITCAQKRLUSWOKD-IBGZPJMESA-N 2 1 345.487 2.031 20 30 EEEDMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001754945774 1407008317 /nfs/dbraw/zinc/00/83/17/1407008317.db2.gz ITCAQKRLUSWOKD-IBGZPJMESA-N 2 1 345.487 2.031 20 30 EEEDMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001754945774 1407008324 /nfs/dbraw/zinc/00/83/24/1407008324.db2.gz ITCAQKRLUSWOKD-IBGZPJMESA-N 2 1 345.487 2.031 20 30 EEEDMP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001754945774 1407008330 /nfs/dbraw/zinc/00/83/30/1407008330.db2.gz ITCAQKRLUSWOKD-IBGZPJMESA-N 2 1 345.487 2.031 20 30 EEEDMP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001755186075 1407191173 /nfs/dbraw/zinc/19/11/73/1407191173.db2.gz FDLYVQNOHKSTEW-MTQWCTHYSA-N 2 1 339.483 2.112 20 30 EEEDMP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001755316513 1407314113 /nfs/dbraw/zinc/31/41/13/1407314113.db2.gz MVQQTCFFVAWKOT-QRQLOZEOSA-N 2 1 329.488 2.344 20 30 EEEDMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001755316513 1407314117 /nfs/dbraw/zinc/31/41/17/1407314117.db2.gz MVQQTCFFVAWKOT-QRQLOZEOSA-N 2 1 329.488 2.344 20 30 EEEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001755316513 1407314124 /nfs/dbraw/zinc/31/41/24/1407314124.db2.gz MVQQTCFFVAWKOT-QRQLOZEOSA-N 2 1 329.488 2.344 20 30 EEEDMP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001700669056 1405656728 /nfs/dbraw/zinc/65/67/28/1405656728.db2.gz IHBXESYASWVBHW-PKOBYXMFSA-N 2 1 327.472 2.007 20 30 EEEDMP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC001755722596 1407782950 /nfs/dbraw/zinc/78/29/50/1407782950.db2.gz JAXIYEDXSUCRGF-YSIASYRMSA-N 2 1 341.499 2.057 20 30 EEEDMP C=CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001755852300 1407905674 /nfs/dbraw/zinc/90/56/74/1407905674.db2.gz RJNHQFFOFUMUNY-KBPBESRZSA-N 2 1 335.414 2.273 20 30 EEEDMP CCCCNC(=[NH2+])NCc1ccc(CN2CCC[N@@H+](C)CC2)cc1 ZINC000303865043 1409791938 /nfs/dbraw/zinc/79/19/38/1409791938.db2.gz BNOBQKGKSYMVLA-UHFFFAOYSA-N 2 1 331.508 2.029 20 30 EEEDMP CCCCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCN(C)CC2)cc1 ZINC000303865043 1409791941 /nfs/dbraw/zinc/79/19/41/1409791941.db2.gz BNOBQKGKSYMVLA-UHFFFAOYSA-N 2 1 331.508 2.029 20 30 EEEDMP CCCCNC(=[NH2+])NCc1ccc(C[N@H+]2CCCN(C)CC2)cc1 ZINC000303865043 1409791944 /nfs/dbraw/zinc/79/19/44/1409791944.db2.gz BNOBQKGKSYMVLA-UHFFFAOYSA-N 2 1 331.508 2.029 20 30 EEEDMP CC(C)[N@H+](C)Cc1nn(-c2[nH]ccc3ncc(C#N)c2-3)c2c1CC[NH2+]C2 ZINC001164679564 719634913 /nfs/dbraw/zinc/63/49/13/719634913.db2.gz GXTYYINVPKAIDJ-UHFFFAOYSA-N 2 1 349.442 2.106 20 30 EEEDMP CC(C)[N@@H+](C)Cc1nn(-c2[nH]ccc3ncc(C#N)c2-3)c2c1CC[NH2+]C2 ZINC001164679564 719634920 /nfs/dbraw/zinc/63/49/20/719634920.db2.gz GXTYYINVPKAIDJ-UHFFFAOYSA-N 2 1 349.442 2.106 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001089863406 782297951 /nfs/dbraw/zinc/29/79/51/782297951.db2.gz ZQCMBPVEFAFMDF-OKYOBFRVSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089863406 782297960 /nfs/dbraw/zinc/29/79/60/782297960.db2.gz ZQCMBPVEFAFMDF-OKYOBFRVSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089863406 782297967 /nfs/dbraw/zinc/29/79/67/782297967.db2.gz ZQCMBPVEFAFMDF-OKYOBFRVSA-N 2 1 345.531 2.463 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104291322 758129823 /nfs/dbraw/zinc/12/98/23/758129823.db2.gz MGYHTZOLHLAZHB-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167627528 760768518 /nfs/dbraw/zinc/76/85/18/760768518.db2.gz PDROINUADYXBOG-AWEZNQCLSA-N 2 1 346.313 2.254 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001087309240 761576271 /nfs/dbraw/zinc/57/62/71/761576271.db2.gz DEXNUSZKHGAFJP-YZGWKJHDSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530371 782631270 /nfs/dbraw/zinc/63/12/70/782631270.db2.gz RAXDAZQCTSBAAF-YLJYHZDGSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993817 782737061 /nfs/dbraw/zinc/73/70/61/782737061.db2.gz FDNKKKJIHICYDV-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993817 782737066 /nfs/dbraw/zinc/73/70/66/782737066.db2.gz FDNKKKJIHICYDV-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993817 782737073 /nfs/dbraw/zinc/73/70/73/782737073.db2.gz FDNKKKJIHICYDV-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCC(=C)C)CC[C@@H]3C2)CC1 ZINC001088212136 783063414 /nfs/dbraw/zinc/06/34/14/783063414.db2.gz RHKFUAUFRKRPAI-UXHICEINSA-N 2 1 343.515 2.078 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000979997895 773686265 /nfs/dbraw/zinc/68/62/65/773686265.db2.gz GACOWJLIFJPAGM-GBESFXJTSA-N 2 1 343.515 2.102 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980216945 774128274 /nfs/dbraw/zinc/12/82/74/774128274.db2.gz SMISBXCXHQJBCP-RCCFBDPRSA-N 2 1 331.504 2.265 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981958309 778670130 /nfs/dbraw/zinc/67/01/30/778670130.db2.gz HUWWOSYPLVGAND-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981958309 778670132 /nfs/dbraw/zinc/67/01/32/778670132.db2.gz HUWWOSYPLVGAND-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981958309 778670133 /nfs/dbraw/zinc/67/01/33/778670133.db2.gz HUWWOSYPLVGAND-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000981962916 778690557 /nfs/dbraw/zinc/69/05/57/778690557.db2.gz BBIPYEMLMRPBAL-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000981962916 778690559 /nfs/dbraw/zinc/69/05/59/778690559.db2.gz BBIPYEMLMRPBAL-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226374 779394317 /nfs/dbraw/zinc/39/43/17/779394317.db2.gz JLKVAMCJOSTCKF-KRWDZBQOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226374 779394327 /nfs/dbraw/zinc/39/43/27/779394327.db2.gz JLKVAMCJOSTCKF-KRWDZBQOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982280136 779519658 /nfs/dbraw/zinc/51/96/58/779519658.db2.gz WGPYIIUWEOZQKA-YSIASYRMSA-N 2 1 331.504 2.075 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296250 779606812 /nfs/dbraw/zinc/60/68/12/779606812.db2.gz NITAVVRYCNDGNB-NRSPTQNISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296250 779606817 /nfs/dbraw/zinc/60/68/17/779606817.db2.gz NITAVVRYCNDGNB-NRSPTQNISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443632 780279385 /nfs/dbraw/zinc/27/93/85/780279385.db2.gz XBEAYGAGIDWURY-WOJBJXKFSA-N 2 1 339.483 2.080 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942101090 781723633 /nfs/dbraw/zinc/72/36/33/781723633.db2.gz QJPMVSJHQJPJPE-ZBFHGGJFSA-N 2 1 333.501 2.273 20 30 EEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001088326765 783514517 /nfs/dbraw/zinc/51/45/17/783514517.db2.gz XNTKZOBFWAATJS-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260146 784215191 /nfs/dbraw/zinc/21/51/91/784215191.db2.gz OPQFDDODQBBBMX-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1(C)C ZINC000996333941 786278186 /nfs/dbraw/zinc/27/81/86/786278186.db2.gz HVLYJTDJLKXWMZ-QYZOEREBSA-N 2 1 341.499 2.344 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107543893 787564794 /nfs/dbraw/zinc/56/47/94/787564794.db2.gz BOIMXHHRUYJMJX-NLWGTHIKSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609268 787896467 /nfs/dbraw/zinc/89/64/67/787896467.db2.gz LOYXEYJTLWOKMK-LZLYRXPVSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609268 787896476 /nfs/dbraw/zinc/89/64/76/787896476.db2.gz LOYXEYJTLWOKMK-LZLYRXPVSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609268 787896492 /nfs/dbraw/zinc/89/64/92/787896492.db2.gz LOYXEYJTLWOKMK-LZLYRXPVSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000946861274 788880878 /nfs/dbraw/zinc/88/08/78/788880878.db2.gz DDWKGLAPOSSDNE-HDICACEKSA-N 2 1 331.504 2.219 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358930 789434118 /nfs/dbraw/zinc/43/41/18/789434118.db2.gz MXXLHDRIILIUMT-CEXWTWQISA-N 2 1 343.471 2.010 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000923555438 789762775 /nfs/dbraw/zinc/76/27/75/789762775.db2.gz QAZJGCZZJCBTEU-HXUWFJFHSA-N 2 1 339.483 2.500 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000923555438 789762779 /nfs/dbraw/zinc/76/27/79/789762779.db2.gz QAZJGCZZJCBTEU-HXUWFJFHSA-N 2 1 339.483 2.500 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796734 806004867 /nfs/dbraw/zinc/00/48/67/806004867.db2.gz CBTJARYJBACQMJ-RDGPPVDQSA-N 2 1 349.519 2.175 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001146591878 791360421 /nfs/dbraw/zinc/36/04/21/791360421.db2.gz HUYVDUFIHHVQFH-SJORKVTESA-N 2 1 347.478 2.390 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccns1 ZINC001171308334 791854684 /nfs/dbraw/zinc/85/46/84/791854684.db2.gz QVSNDDSIKSSSHT-WBVHZDCISA-N 2 1 348.516 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccns1 ZINC001171308334 791854691 /nfs/dbraw/zinc/85/46/91/791854691.db2.gz QVSNDDSIKSSSHT-WBVHZDCISA-N 2 1 348.516 2.005 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998091466 791946618 /nfs/dbraw/zinc/94/66/18/791946618.db2.gz BPLRJCTYBSGHAB-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000998091466 791946622 /nfs/dbraw/zinc/94/66/22/791946622.db2.gz BPLRJCTYBSGHAB-QZTJIDSGSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098887 792110630 /nfs/dbraw/zinc/11/06/30/792110630.db2.gz YSFCMBRMCVXYQZ-IAGOWNOFSA-N 2 1 339.499 2.296 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147992978 792113935 /nfs/dbraw/zinc/11/39/35/792113935.db2.gz RBJXYLKQHQTJAX-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC000998270673 792411338 /nfs/dbraw/zinc/41/13/38/792411338.db2.gz VGNBLPQGUDFPOO-GJZGRUSLSA-N 2 1 347.425 2.416 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998310164 792529171 /nfs/dbraw/zinc/52/91/71/792529171.db2.gz GGDVTTBYCMFSOC-UONOGXRCSA-N 2 1 344.381 2.137 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992409723 793995086 /nfs/dbraw/zinc/99/50/86/793995086.db2.gz UDKAKDBSIXEMON-PZJWPPBQSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000999389777 794400944 /nfs/dbraw/zinc/40/09/44/794400944.db2.gz CGMXFTHJNRLSLS-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000999389777 794400947 /nfs/dbraw/zinc/40/09/47/794400947.db2.gz CGMXFTHJNRLSLS-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C[C@@H](C)CC)CC3)CC1 ZINC000992511238 794460243 /nfs/dbraw/zinc/46/02/43/794460243.db2.gz QMJSUDISYUXLAD-CUWPLCDZSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001079300977 794539188 /nfs/dbraw/zinc/53/91/88/794539188.db2.gz YFVFTVFRYNZOSF-QXAKKESOSA-N 2 1 345.462 2.380 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@H]2C)CC1 ZINC001093224319 794879399 /nfs/dbraw/zinc/87/93/99/794879399.db2.gz QALPKIKHUQONFH-ZHALLVOQSA-N 2 1 333.520 2.062 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]21 ZINC001036774451 794922356 /nfs/dbraw/zinc/92/23/56/794922356.db2.gz FUHAZLQGAGYFKD-AEFFLSMTSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]21 ZINC001036774451 794922360 /nfs/dbraw/zinc/92/23/60/794922360.db2.gz FUHAZLQGAGYFKD-AEFFLSMTSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@H]21 ZINC001036774453 794923045 /nfs/dbraw/zinc/92/30/45/794923045.db2.gz FUHAZLQGAGYFKD-SJLPKXTDSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@H]21 ZINC001036774453 794923050 /nfs/dbraw/zinc/92/30/50/794923050.db2.gz FUHAZLQGAGYFKD-SJLPKXTDSA-N 2 1 342.487 2.261 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001093378456 795114948 /nfs/dbraw/zinc/11/49/48/795114948.db2.gz OHWOZWXSAYJZET-XLIONFOSSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001093378456 795114950 /nfs/dbraw/zinc/11/49/50/795114950.db2.gz OHWOZWXSAYJZET-XLIONFOSSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001093378456 795114955 /nfs/dbraw/zinc/11/49/55/795114955.db2.gz OHWOZWXSAYJZET-XLIONFOSSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271455 795319201 /nfs/dbraw/zinc/31/92/01/795319201.db2.gz GASKCMARBJKNCV-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCO[C@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108033957 796070033 /nfs/dbraw/zinc/07/00/33/796070033.db2.gz PSIZERCYSPNENR-QFBILLFUSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108033957 796070036 /nfs/dbraw/zinc/07/00/36/796070036.db2.gz PSIZERCYSPNENR-QFBILLFUSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108033957 796070042 /nfs/dbraw/zinc/07/00/42/796070042.db2.gz PSIZERCYSPNENR-QFBILLFUSA-N 2 1 339.524 2.279 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC=C)CC3)CC1 ZINC001094581861 796422186 /nfs/dbraw/zinc/42/21/86/796422186.db2.gz HDRNHAZIUATNKB-TZIWHRDSSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585088 796467871 /nfs/dbraw/zinc/46/78/71/796467871.db2.gz MXOGYQSSLGZRSP-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585088 796467876 /nfs/dbraw/zinc/46/78/76/796467876.db2.gz MXOGYQSSLGZRSP-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585088 796467878 /nfs/dbraw/zinc/46/78/78/796467878.db2.gz MXOGYQSSLGZRSP-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585131 796468592 /nfs/dbraw/zinc/46/85/92/796468592.db2.gz OFLZVLQRDUVLQZ-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585131 796468596 /nfs/dbraw/zinc/46/85/96/796468596.db2.gz OFLZVLQRDUVLQZ-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585131 796468600 /nfs/dbraw/zinc/46/86/00/796468600.db2.gz OFLZVLQRDUVLQZ-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C[N@H+]1CC[C@]2(CCN([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992053 797201655 /nfs/dbraw/zinc/20/16/55/797201655.db2.gz PWETXBIVTGMTBJ-BXWFABGCSA-N 2 1 348.491 2.306 20 30 EEEDMP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992053 797201658 /nfs/dbraw/zinc/20/16/58/797201658.db2.gz PWETXBIVTGMTBJ-BXWFABGCSA-N 2 1 348.491 2.306 20 30 EEEDMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992053 797201660 /nfs/dbraw/zinc/20/16/60/797201660.db2.gz PWETXBIVTGMTBJ-BXWFABGCSA-N 2 1 348.491 2.306 20 30 EEEDMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992053 797201664 /nfs/dbraw/zinc/20/16/64/797201664.db2.gz PWETXBIVTGMTBJ-BXWFABGCSA-N 2 1 348.491 2.306 20 30 EEEDMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992053 797201669 /nfs/dbraw/zinc/20/16/69/797201669.db2.gz PWETXBIVTGMTBJ-BXWFABGCSA-N 2 1 348.491 2.306 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346260 798160549 /nfs/dbraw/zinc/16/05/49/798160549.db2.gz DHZHCVFEVCBDMS-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346260 798160553 /nfs/dbraw/zinc/16/05/53/798160553.db2.gz DHZHCVFEVCBDMS-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346260 798160557 /nfs/dbraw/zinc/16/05/57/798160557.db2.gz DHZHCVFEVCBDMS-WSTZPKSXSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001084613640 798314915 /nfs/dbraw/zinc/31/49/15/798314915.db2.gz OEFIDWSDOGNDFW-ZIFCJYIRSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001084613640 798314923 /nfs/dbraw/zinc/31/49/23/798314923.db2.gz OEFIDWSDOGNDFW-ZIFCJYIRSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084853914 798505533 /nfs/dbraw/zinc/50/55/33/798505533.db2.gz PNRJVCVAAAZYHT-GUDVDZBRSA-N 2 1 327.472 2.398 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084853914 798505537 /nfs/dbraw/zinc/50/55/37/798505537.db2.gz PNRJVCVAAAZYHT-GUDVDZBRSA-N 2 1 327.472 2.398 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C/C=C/Cl)[C@H]3C2)CC1 ZINC001085100508 798674221 /nfs/dbraw/zinc/67/42/21/798674221.db2.gz IICQWIFFDCKTIC-FQYGRFKFSA-N 2 1 349.906 2.007 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001178045257 799229132 /nfs/dbraw/zinc/22/91/32/799229132.db2.gz HLXNLIDZGYVTHC-LJQANCHMSA-N 2 1 342.487 2.419 20 30 EEEDMP C=C(Br)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045371 799230372 /nfs/dbraw/zinc/23/03/72/799230372.db2.gz JTLQGVFAPLXNGD-CQSZACIVSA-N 2 1 346.313 2.255 20 30 EEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001179371069 799903944 /nfs/dbraw/zinc/90/39/44/799903944.db2.gz IWICYADJYRVOKC-MRXNPFEDSA-N 2 1 345.915 2.114 20 30 EEEDMP C=C(C)CC[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001003855958 800361673 /nfs/dbraw/zinc/36/16/73/800361673.db2.gz GTCOIZNAOJCTKK-UHFFFAOYSA-N 2 1 339.443 2.428 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181518723 800831391 /nfs/dbraw/zinc/83/13/91/800831391.db2.gz ZSIZYCYDFFHPPE-FUHIMQAGSA-N 2 1 344.503 2.494 20 30 EEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001183044121 801437988 /nfs/dbraw/zinc/43/79/88/801437988.db2.gz CYFGMYZEYJWGNW-LJQANCHMSA-N 2 1 325.456 2.080 20 30 EEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001183044121 801437994 /nfs/dbraw/zinc/43/79/94/801437994.db2.gz CYFGMYZEYJWGNW-LJQANCHMSA-N 2 1 325.456 2.080 20 30 EEEDMP C=C(C[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001183091314 801454169 /nfs/dbraw/zinc/45/41/69/801454169.db2.gz CPVADCXGMXTYHK-IBGZPJMESA-N 2 1 327.472 2.419 20 30 EEEDMP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361473 801761856 /nfs/dbraw/zinc/76/18/56/801761856.db2.gz IBXXIEFYJHXERF-UHFFFAOYSA-N 2 1 346.450 2.169 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCC(C)(C)C)CC1 ZINC001085987053 801840206 /nfs/dbraw/zinc/84/02/06/801840206.db2.gz SGOILYIBHWLZIY-GOSISDBHSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230637 802168969 /nfs/dbraw/zinc/16/89/69/802168969.db2.gz OTSAJAKLVMUWPC-ROUUACIJSA-N 2 1 331.504 2.291 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946621011 802254986 /nfs/dbraw/zinc/25/49/86/802254986.db2.gz GOAPFIYLIYZITA-IYBDPMFKSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001004538870 802309214 /nfs/dbraw/zinc/30/92/14/802309214.db2.gz CHPQKGBRUPXVNA-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[C@@H](C)N1CCn2ncc(CNC(=O)C[N@H+](C)CCC)c2C1 ZINC001128560774 803088533 /nfs/dbraw/zinc/08/85/33/803088533.db2.gz XWNYBCKOFGPUTL-MRXNPFEDSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCn2ncc(CNC(=O)C[N@@H+](C)CCC)c2C1 ZINC001128560774 803088539 /nfs/dbraw/zinc/08/85/39/803088539.db2.gz XWNYBCKOFGPUTL-MRXNPFEDSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCn2ncc(CNC(=O)C[N@H+](C)CCC)c2C1 ZINC001128560774 803088544 /nfs/dbraw/zinc/08/85/44/803088544.db2.gz XWNYBCKOFGPUTL-MRXNPFEDSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCn2ncc(CNC(=O)C[NH+](C)CCC)c2C1 ZINC001128560774 803088551 /nfs/dbraw/zinc/08/85/51/803088551.db2.gz XWNYBCKOFGPUTL-MRXNPFEDSA-N 2 1 347.507 2.011 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001108421698 803533164 /nfs/dbraw/zinc/53/31/64/803533164.db2.gz SQXSPMHTCWCAIR-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421698 803533167 /nfs/dbraw/zinc/53/31/67/803533167.db2.gz SQXSPMHTCWCAIR-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421698 803533169 /nfs/dbraw/zinc/53/31/69/803533169.db2.gz SQXSPMHTCWCAIR-PKOBYXMFSA-N 2 1 337.508 2.034 20 30 EEEDMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001130614955 811843361 /nfs/dbraw/zinc/84/33/61/811843361.db2.gz GKQJLPNYPFFKPE-UHFFFAOYSA-N 2 1 342.487 2.417 20 30 EEEDMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438508581 1091001680 /nfs/dbraw/zinc/00/16/80/1091001680.db2.gz YSYQBVXACDVNMA-RDTXWAMCSA-N 2 1 346.450 2.024 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(F)c(C#N)c1)NC(=O)C[NH+](C)C1CCC1 ZINC001439333879 1092023916 /nfs/dbraw/zinc/02/39/16/1092023916.db2.gz UCONJDVNRXEJAX-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](C[NH+](C)Cc1ccc(F)c(C#N)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001439333879 1092023923 /nfs/dbraw/zinc/02/39/23/1092023923.db2.gz UCONJDVNRXEJAX-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](C[NH+](C)Cc1ccc(F)c(C#N)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001439333879 1092023930 /nfs/dbraw/zinc/02/39/30/1092023930.db2.gz UCONJDVNRXEJAX-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001439787578 1092745393 /nfs/dbraw/zinc/74/53/93/1092745393.db2.gz FYBREJVUQWXRDE-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001439802936 1092760201 /nfs/dbraw/zinc/76/02/01/1092760201.db2.gz CQGQKYAITGBUCN-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000328673805 539758237 /nfs/dbraw/zinc/75/82/37/539758237.db2.gz JJKRMZNZFMEENQ-STONLHKKSA-N 2 1 336.480 2.399 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)NC1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000328673805 539758239 /nfs/dbraw/zinc/75/82/39/539758239.db2.gz JJKRMZNZFMEENQ-STONLHKKSA-N 2 1 336.480 2.399 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)NC1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000328673805 539758243 /nfs/dbraw/zinc/75/82/43/539758243.db2.gz JJKRMZNZFMEENQ-STONLHKKSA-N 2 1 336.480 2.399 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157112430 206116716 /nfs/dbraw/zinc/11/67/16/206116716.db2.gz ZMRDARHTKBNCOH-RBUKOAKNSA-N 2 1 343.471 2.248 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157112430 206116719 /nfs/dbraw/zinc/11/67/19/206116719.db2.gz ZMRDARHTKBNCOH-RBUKOAKNSA-N 2 1 343.471 2.248 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1C ZINC000336879081 465074750 /nfs/dbraw/zinc/07/47/50/465074750.db2.gz LCUACGSMEYKWMK-SZMVWBNQSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1C ZINC000336879081 465074754 /nfs/dbraw/zinc/07/47/54/465074754.db2.gz LCUACGSMEYKWMK-SZMVWBNQSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1C ZINC000336879081 465074759 /nfs/dbraw/zinc/07/47/59/465074759.db2.gz LCUACGSMEYKWMK-SZMVWBNQSA-N 2 1 331.460 2.103 20 30 EEEDMP C#CCOc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128331000 462630271 /nfs/dbraw/zinc/63/02/71/462630271.db2.gz HHHSQLKHHLXCSJ-SFHVURJKSA-N 2 1 329.488 2.377 20 30 EEEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1cc(Cl)cn1C ZINC000261673645 463823480 /nfs/dbraw/zinc/82/34/80/463823480.db2.gz CIAJJLYSZIGRSM-CYBMUJFWSA-N 2 1 325.888 2.028 20 30 EEEDMP C[N@@H+]1CC=C(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278568186 463971664 /nfs/dbraw/zinc/97/16/64/463971664.db2.gz DFPRVEVPPYBQJQ-UHFFFAOYSA-N 2 1 336.443 2.210 20 30 EEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cccc2ccccc21 ZINC000264085248 464281157 /nfs/dbraw/zinc/28/11/57/464281157.db2.gz JCBZHVYPIFCPBM-UHFFFAOYSA-N 2 1 340.471 2.009 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1OC(F)F ZINC000276325342 464889839 /nfs/dbraw/zinc/88/98/39/464889839.db2.gz DYJXEGQTKJBFSP-AWEZNQCLSA-N 2 1 340.418 2.219 20 30 EEEDMP CC[NH+]1CCC(NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000329992307 465500047 /nfs/dbraw/zinc/50/00/47/465500047.db2.gz KIYXCERDGOTYJK-UHFFFAOYSA-N 2 1 330.436 2.012 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000358777584 465316970 /nfs/dbraw/zinc/31/69/70/465316970.db2.gz AHZCJCVLUIJFRH-CALCHBBNSA-N 2 1 336.524 2.304 20 30 EEEDMP CCOCCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000303871514 466240425 /nfs/dbraw/zinc/24/04/25/466240425.db2.gz FXABGWUVNTVJPU-UHFFFAOYSA-N 2 1 333.411 2.151 20 30 EEEDMP CN1CCC([N@H+]2CC[C@H](NC(=O)CC3(C#N)CCCCC3)C2)CC1 ZINC000597215567 468482618 /nfs/dbraw/zinc/48/26/18/468482618.db2.gz GHAOIZGDDPGXBY-INIZCTEOSA-N 2 1 332.492 2.135 20 30 EEEDMP C[NH+]1CCC(N2CC[C@H](NC(=O)CC3(C#N)CCCCC3)C2)CC1 ZINC000597215567 468482621 /nfs/dbraw/zinc/48/26/21/468482621.db2.gz GHAOIZGDDPGXBY-INIZCTEOSA-N 2 1 332.492 2.135 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000363449576 466411911 /nfs/dbraw/zinc/41/19/11/466411911.db2.gz KZCFYAUURXGBMW-SFHVURJKSA-N 2 1 330.451 2.298 20 30 EEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000363449576 466411916 /nfs/dbraw/zinc/41/19/16/466411916.db2.gz KZCFYAUURXGBMW-SFHVURJKSA-N 2 1 330.451 2.298 20 30 EEEDMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]([NH3+])CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000424176380 466996743 /nfs/dbraw/zinc/99/67/43/466996743.db2.gz RGNNTEVUVWMTRV-BHIYHBOVSA-N 2 1 342.487 2.424 20 30 EEEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1C ZINC000433325386 467318795 /nfs/dbraw/zinc/31/87/95/467318795.db2.gz GDCAHINOKAXERP-QAPCUYQASA-N 2 1 338.459 2.431 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000567680371 468181275 /nfs/dbraw/zinc/18/12/75/468181275.db2.gz WTANWXVCDUJYAS-UHFFFAOYSA-N 2 1 332.404 2.163 20 30 EEEDMP CN(CCC#N)C(=O)CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595508915 468881682 /nfs/dbraw/zinc/88/16/82/468881682.db2.gz LONFPLSFEFYTMT-UHFFFAOYSA-N 2 1 328.460 2.003 20 30 EEEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000598611817 468932878 /nfs/dbraw/zinc/93/28/78/468932878.db2.gz PXQMVUBTMATGET-OTWHNJEPSA-N 2 1 327.472 2.351 20 30 EEEDMP CC(C)(C#N)C[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000598611817 468932880 /nfs/dbraw/zinc/93/28/80/468932880.db2.gz PXQMVUBTMATGET-OTWHNJEPSA-N 2 1 327.472 2.351 20 30 EEEDMP CC(C)(C#N)C[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000598611817 468932883 /nfs/dbraw/zinc/93/28/83/468932883.db2.gz PXQMVUBTMATGET-OTWHNJEPSA-N 2 1 327.472 2.351 20 30 EEEDMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN[C@@H](C)CC#N)CC2)cc1 ZINC000602865795 469127729 /nfs/dbraw/zinc/12/77/29/469127729.db2.gz YZRXQPMXOCOOQU-KRWDZBQOSA-N 2 1 342.487 2.346 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156130 674643573 /nfs/dbraw/zinc/64/35/73/674643573.db2.gz KQWAKBRIWLLNPM-GOSISDBHSA-N 2 1 327.472 2.356 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000969721509 675173315 /nfs/dbraw/zinc/17/33/15/675173315.db2.gz GNTINPXPEADLPA-SOUVJXGZSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039223873 676179856 /nfs/dbraw/zinc/17/98/56/676179856.db2.gz BJWORGBGQFYGGR-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338258 675794418 /nfs/dbraw/zinc/79/44/18/675794418.db2.gz LIZYJLUNDAGILA-GDBMZVCRSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001021636832 676292195 /nfs/dbraw/zinc/29/21/95/676292195.db2.gz TYPJVDRZDRZSAS-SJLPKXTDSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001021636832 676292197 /nfs/dbraw/zinc/29/21/97/676292197.db2.gz TYPJVDRZDRZSAS-SJLPKXTDSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000972700285 679667834 /nfs/dbraw/zinc/66/78/34/679667834.db2.gz GAOGSWMHLUPWQL-QGZVFWFLSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000972700285 679667835 /nfs/dbraw/zinc/66/78/35/679667835.db2.gz GAOGSWMHLUPWQL-QGZVFWFLSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022070174 676632676 /nfs/dbraw/zinc/63/26/76/676632676.db2.gz RHNUQYYNXFBRMF-MJBXVCDLSA-N 2 1 344.297 2.005 20 30 EEEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972409432 678699323 /nfs/dbraw/zinc/69/93/23/678699323.db2.gz OKACXFLGCYUCSC-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972409432 678699325 /nfs/dbraw/zinc/69/93/25/678699325.db2.gz OKACXFLGCYUCSC-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972409432 678699328 /nfs/dbraw/zinc/69/93/28/678699328.db2.gz OKACXFLGCYUCSC-QUCCMNQESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000972494476 678917254 /nfs/dbraw/zinc/91/72/54/678917254.db2.gz QVICFUABRWVRRA-HXUWFJFHSA-N 2 1 349.519 2.130 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1CC)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262328146 685369181 /nfs/dbraw/zinc/36/91/81/685369181.db2.gz AJNWUCQAVZZDOO-NXOAAHMSSA-N 2 1 336.524 2.229 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028591490 681233128 /nfs/dbraw/zinc/23/31/28/681233128.db2.gz HXNZOZSSRIMHSP-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028591490 681233133 /nfs/dbraw/zinc/23/31/33/681233133.db2.gz HXNZOZSSRIMHSP-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028591490 681233140 /nfs/dbraw/zinc/23/31/40/681233140.db2.gz HXNZOZSSRIMHSP-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982555527 681640763 /nfs/dbraw/zinc/64/07/63/681640763.db2.gz ALXYSMPDNSOCTL-UNQWWWNPSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982555527 681640766 /nfs/dbraw/zinc/64/07/66/681640766.db2.gz ALXYSMPDNSOCTL-UNQWWWNPSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982555527 681640771 /nfs/dbraw/zinc/64/07/71/681640771.db2.gz ALXYSMPDNSOCTL-UNQWWWNPSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982555527 681640777 /nfs/dbraw/zinc/64/07/77/681640777.db2.gz ALXYSMPDNSOCTL-UNQWWWNPSA-N 2 1 339.911 2.107 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296023 682407040 /nfs/dbraw/zinc/40/70/40/682407040.db2.gz RKAAJIIZGNHTRH-ROUUACIJSA-N 2 1 328.460 2.060 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296023 682407043 /nfs/dbraw/zinc/40/70/43/682407043.db2.gz RKAAJIIZGNHTRH-ROUUACIJSA-N 2 1 328.460 2.060 20 30 EEEDMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCC[C@H](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261981617 682724730 /nfs/dbraw/zinc/72/47/30/682724730.db2.gz PACWDVJXSUEUSC-JENIJYKNSA-N 2 1 336.524 2.185 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001025528900 682959942 /nfs/dbraw/zinc/95/99/42/682959942.db2.gz XQIMURKQGLEHAV-CVEARBPZSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001025528900 682959944 /nfs/dbraw/zinc/95/99/44/682959944.db2.gz XQIMURKQGLEHAV-CVEARBPZSA-N 2 1 346.475 2.287 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585065 683041703 /nfs/dbraw/zinc/04/17/03/683041703.db2.gz NFNGVIARRPMTHE-HKUYNNGSSA-N 2 1 333.520 2.347 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000984046520 684016791 /nfs/dbraw/zinc/01/67/91/684016791.db2.gz FVCJDUOSCHKXLT-GUDVDZBRSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001026283728 684190566 /nfs/dbraw/zinc/19/05/66/684190566.db2.gz LRGJAHZWIGGYTE-NUEKZKHPSA-N 2 1 325.884 2.050 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3cc([C@H]4CCCN4C)n[nH]3)CCC[C@@H]12 ZINC000990812666 693895495 /nfs/dbraw/zinc/89/54/95/693895495.db2.gz DQWLYDFVPCYHPP-ZHALLVOQSA-N 2 1 343.475 2.089 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974962266 685815446 /nfs/dbraw/zinc/81/54/46/685815446.db2.gz JTEOWVWHXDKLHJ-RDJZCZTQSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974962266 685815451 /nfs/dbraw/zinc/81/54/51/685815451.db2.gz JTEOWVWHXDKLHJ-RDJZCZTQSA-N 2 1 330.476 2.157 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CCc2ccccc21)NC[C@]1([NH+](C)C)CCSC1 ZINC000262755434 688352708 /nfs/dbraw/zinc/35/27/08/688352708.db2.gz DCVUUCZUDYPSMT-QFBILLFUSA-N 2 1 346.544 2.319 20 30 EEEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458656 691911588 /nfs/dbraw/zinc/91/15/88/691911588.db2.gz KWGWNDNPILZIDI-HXUWFJFHSA-N 2 1 327.472 2.021 20 30 EEEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458656 691911590 /nfs/dbraw/zinc/91/15/90/691911590.db2.gz KWGWNDNPILZIDI-HXUWFJFHSA-N 2 1 327.472 2.021 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577100 693160813 /nfs/dbraw/zinc/16/08/13/693160813.db2.gz DNKIQZODPWNYST-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577100 693160814 /nfs/dbraw/zinc/16/08/14/693160814.db2.gz DNKIQZODPWNYST-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036490 1192959012 /nfs/dbraw/zinc/95/90/12/1192959012.db2.gz MGKVKEVUTPYHHU-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001107039735 1192997036 /nfs/dbraw/zinc/99/70/36/1192997036.db2.gz WHLVKMCUPPTVQB-UYAOXDASSA-N 2 1 341.499 2.062 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001105539917 1188161027 /nfs/dbraw/zinc/16/10/27/1188161027.db2.gz SSDYUHUPDSEIHK-IPMKNSEASA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+]2CCOCC2)CCC1 ZINC001105568373 1188182038 /nfs/dbraw/zinc/18/20/38/1188182038.db2.gz NJPLBRGPLZGSJX-GOSISDBHSA-N 2 1 349.519 2.036 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168290482 1188253737 /nfs/dbraw/zinc/25/37/37/1188253737.db2.gz GBMSZYXHUVLOKG-GASCZTMLSA-N 2 1 327.900 2.488 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001484571830 1191424784 /nfs/dbraw/zinc/42/47/84/1191424784.db2.gz JZVAAUOTKWFNDU-BPUTZDHNSA-N 2 1 327.900 2.345 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@H+](CC3(C[NH+](C)C)CCCC3)CC2)C1=O ZINC001273128425 1194411621 /nfs/dbraw/zinc/41/16/21/1194411621.db2.gz TVVCSLUNJJZBCE-NRFANRHFSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946809194 1194417692 /nfs/dbraw/zinc/41/76/92/1194417692.db2.gz YZSLSNQCVXUGSD-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946809194 1194417697 /nfs/dbraw/zinc/41/76/97/1194417697.db2.gz YZSLSNQCVXUGSD-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946809194 1194417699 /nfs/dbraw/zinc/41/76/99/1194417699.db2.gz YZSLSNQCVXUGSD-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415744 1194536094 /nfs/dbraw/zinc/53/60/94/1194536094.db2.gz KGIKNIRFRBCVJV-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033415744 1194536098 /nfs/dbraw/zinc/53/60/98/1194536098.db2.gz KGIKNIRFRBCVJV-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033415744 1194536100 /nfs/dbraw/zinc/53/61/00/1194536100.db2.gz KGIKNIRFRBCVJV-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(CC)CC)C1 ZINC001034250758 1195990156 /nfs/dbraw/zinc/99/01/56/1195990156.db2.gz WNERLBPJFYJJCN-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034361036 1196149235 /nfs/dbraw/zinc/14/92/35/1196149235.db2.gz CMNLQIDXUKNKHL-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034361036 1196149237 /nfs/dbraw/zinc/14/92/37/1196149237.db2.gz CMNLQIDXUKNKHL-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034361036 1196149240 /nfs/dbraw/zinc/14/92/40/1196149240.db2.gz CMNLQIDXUKNKHL-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034361036 1196149242 /nfs/dbraw/zinc/14/92/42/1196149242.db2.gz CMNLQIDXUKNKHL-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034405869 1196177500 /nfs/dbraw/zinc/17/75/00/1196177500.db2.gz VZUYULQPMLMTEQ-LJQANCHMSA-N 2 1 327.472 2.008 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001034963585 1196944883 /nfs/dbraw/zinc/94/48/83/1196944883.db2.gz WDLYZNVYDQOEFF-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001034963585 1196944886 /nfs/dbraw/zinc/94/48/86/1196944886.db2.gz WDLYZNVYDQOEFF-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132521352 1199830447 /nfs/dbraw/zinc/83/04/47/1199830447.db2.gz CANCIVURMQSIBA-QUCCMNQESA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132521352 1199830451 /nfs/dbraw/zinc/83/04/51/1199830451.db2.gz CANCIVURMQSIBA-QUCCMNQESA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132521352 1199830454 /nfs/dbraw/zinc/83/04/54/1199830454.db2.gz CANCIVURMQSIBA-QUCCMNQESA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132521352 1199830456 /nfs/dbraw/zinc/83/04/56/1199830456.db2.gz CANCIVURMQSIBA-QUCCMNQESA-N 2 1 341.499 2.347 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133166048 1200539296 /nfs/dbraw/zinc/53/92/96/1200539296.db2.gz PIPNWWYDQJYGFQ-WMZOPIPTSA-N 2 1 330.476 2.069 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[N@H+](C)CC ZINC001133410625 1200880230 /nfs/dbraw/zinc/88/02/30/1200880230.db2.gz RWFHGQCLWCZMET-UHFFFAOYSA-N 2 1 335.879 2.233 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000884077286 1202226282 /nfs/dbraw/zinc/22/62/82/1202226282.db2.gz HBFPRYAVNQMSMG-ROUUACIJSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000884077286 1202226283 /nfs/dbraw/zinc/22/62/83/1202226283.db2.gz HBFPRYAVNQMSMG-ROUUACIJSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000884077286 1202226284 /nfs/dbraw/zinc/22/62/84/1202226284.db2.gz HBFPRYAVNQMSMG-ROUUACIJSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000884077286 1202226287 /nfs/dbraw/zinc/22/62/87/1202226287.db2.gz HBFPRYAVNQMSMG-ROUUACIJSA-N 2 1 334.508 2.038 20 30 EEEDMP N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274110940 1204377822 /nfs/dbraw/zinc/37/78/22/1204377822.db2.gz OTTRCHRDUCPNLK-IBGZPJMESA-N 2 1 337.427 2.205 20 30 EEEDMP N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274110940 1204377824 /nfs/dbraw/zinc/37/78/24/1204377824.db2.gz OTTRCHRDUCPNLK-IBGZPJMESA-N 2 1 337.427 2.205 20 30 EEEDMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cncc(C#N)c3)(C1)CCC2 ZINC001275026888 1205236248 /nfs/dbraw/zinc/23/62/48/1205236248.db2.gz CIZWSDRYULFXLT-RBUKOAKNSA-N 2 1 327.476 2.039 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)cc3F)C[C@H]2CC1 ZINC001275957408 1205602619 /nfs/dbraw/zinc/60/26/19/1205602619.db2.gz YDEJTVCDCTWISI-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2CC1 ZINC001275957408 1205602620 /nfs/dbraw/zinc/60/26/20/1205602620.db2.gz YDEJTVCDCTWISI-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2CC1 ZINC001275957408 1205602621 /nfs/dbraw/zinc/60/26/21/1205602621.db2.gz YDEJTVCDCTWISI-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2CC1 ZINC001275957408 1205602622 /nfs/dbraw/zinc/60/26/22/1205602622.db2.gz YDEJTVCDCTWISI-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2CC1 ZINC001275957408 1205602623 /nfs/dbraw/zinc/60/26/23/1205602623.db2.gz YDEJTVCDCTWISI-HDICACEKSA-N 2 1 344.478 2.403 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@@H]3CCCN3C)n[nH]1)C2 ZINC001095442328 1205758446 /nfs/dbraw/zinc/75/84/46/1205758446.db2.gz VTYVVBQJAVJCSO-BODMPHMZSA-N 2 1 343.475 2.088 20 30 EEEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3CC#N)C[C@H]2CC1 ZINC001276243079 1205851172 /nfs/dbraw/zinc/85/11/72/1205851172.db2.gz XOADLDLAGNYYIR-OYRHEFFESA-N 2 1 340.515 2.458 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3CC#N)C[C@H]2CC1 ZINC001276243079 1205851173 /nfs/dbraw/zinc/85/11/73/1205851173.db2.gz XOADLDLAGNYYIR-OYRHEFFESA-N 2 1 340.515 2.458 20 30 EEEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3CC#N)C[C@H]2CC1 ZINC001276243079 1205851174 /nfs/dbraw/zinc/85/11/74/1205851174.db2.gz XOADLDLAGNYYIR-OYRHEFFESA-N 2 1 340.515 2.458 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3ccccc3CC#N)C[C@H]2CC1 ZINC001276243079 1205851175 /nfs/dbraw/zinc/85/11/75/1205851175.db2.gz XOADLDLAGNYYIR-OYRHEFFESA-N 2 1 340.515 2.458 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3ccccc3CC#N)C[C@H]2CC1 ZINC001276243079 1205851176 /nfs/dbraw/zinc/85/11/76/1205851176.db2.gz XOADLDLAGNYYIR-OYRHEFFESA-N 2 1 340.515 2.458 20 30 EEEDMP C[NH+](C)CC1(O)CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000931485903 1207394170 /nfs/dbraw/zinc/39/41/70/1207394170.db2.gz SDAMCLPBYAWDBW-UHFFFAOYSA-N 2 1 337.851 2.131 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)[C@H](C)C2)CC1 ZINC000948069986 1208853869 /nfs/dbraw/zinc/85/38/69/1208853869.db2.gz LYWHKQXFUUDGCR-IEBWSBKVSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000948898453 1209443197 /nfs/dbraw/zinc/44/31/97/1209443197.db2.gz IVCLDARMCWPMEK-RTBURBONSA-N 2 1 327.472 2.372 20 30 EEEDMP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948898453 1209443198 /nfs/dbraw/zinc/44/31/98/1209443198.db2.gz IVCLDARMCWPMEK-RTBURBONSA-N 2 1 327.472 2.372 20 30 EEEDMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948898453 1209443200 /nfs/dbraw/zinc/44/32/00/1209443200.db2.gz IVCLDARMCWPMEK-RTBURBONSA-N 2 1 327.472 2.372 20 30 EEEDMP CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000948923191 1209455079 /nfs/dbraw/zinc/45/50/79/1209455079.db2.gz BTVDNRQAYVBJEW-YVWKXTFCSA-N 2 1 339.483 2.066 20 30 EEEDMP CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000948923191 1209455081 /nfs/dbraw/zinc/45/50/81/1209455081.db2.gz BTVDNRQAYVBJEW-YVWKXTFCSA-N 2 1 339.483 2.066 20 30 EEEDMP CC#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000948923191 1209455083 /nfs/dbraw/zinc/45/50/83/1209455083.db2.gz BTVDNRQAYVBJEW-YVWKXTFCSA-N 2 1 339.483 2.066 20 30 EEEDMP CC#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000948923191 1209455084 /nfs/dbraw/zinc/45/50/84/1209455084.db2.gz BTVDNRQAYVBJEW-YVWKXTFCSA-N 2 1 339.483 2.066 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303875514 1213916942 /nfs/dbraw/zinc/91/69/42/1213916942.db2.gz DLWJGSXVGYEELK-KZNAEPCWSA-N 3 1 337.556 2.133 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nc(C(C)(C)C)cs1 ZINC000304742347 1216102241 /nfs/dbraw/zinc/10/22/41/1216102241.db2.gz CPWCDGNWBHJYPX-CYBMUJFWSA-N 2 1 337.537 2.372 20 30 EEEDMP C[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)C[NH+]1CCOCC1 ZINC000304739256 1216102703 /nfs/dbraw/zinc/10/27/03/1216102703.db2.gz BEHZEMDZXDUAII-OAHLLOKOSA-N 2 1 330.476 2.260 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000959923727 1216233514 /nfs/dbraw/zinc/23/35/14/1216233514.db2.gz HFEQVAZPZFFQSW-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961233209 1217100826 /nfs/dbraw/zinc/10/08/26/1217100826.db2.gz UTVSOAVFBLSZDU-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CC[N@H+](C(C)C)C3)C2)CC1 ZINC000961293794 1217132233 /nfs/dbraw/zinc/13/22/33/1217132233.db2.gz QZMCGYYARIUGCY-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961375458 1217164175 /nfs/dbraw/zinc/16/41/75/1217164175.db2.gz VDBJITKGLHMFRG-YZGWKJHDSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961375458 1217164177 /nfs/dbraw/zinc/16/41/77/1217164177.db2.gz VDBJITKGLHMFRG-YZGWKJHDSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961375458 1217164180 /nfs/dbraw/zinc/16/41/80/1217164180.db2.gz VDBJITKGLHMFRG-YZGWKJHDSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961377006 1217164800 /nfs/dbraw/zinc/16/48/00/1217164800.db2.gz VIKOHMZUTHKXGW-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961432262 1217187671 /nfs/dbraw/zinc/18/76/71/1217187671.db2.gz QPSWDTVIWCZVJQ-GOSISDBHSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968327901 1221212599 /nfs/dbraw/zinc/21/25/99/1221212599.db2.gz UNTPDGDSQKELSF-QAPCUYQASA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968327901 1221212601 /nfs/dbraw/zinc/21/26/01/1221212601.db2.gz UNTPDGDSQKELSF-QAPCUYQASA-N 2 1 346.475 2.287 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416780 1221288136 /nfs/dbraw/zinc/28/81/36/1221288136.db2.gz AYNFAAUEMBQWAT-LPHOPBHVSA-N 2 1 327.472 2.212 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000968645153 1221460308 /nfs/dbraw/zinc/46/03/08/1221460308.db2.gz PAWBCYBSQPFQOM-PBHICJAKSA-N 2 1 346.500 2.183 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC000968888768 1221648143 /nfs/dbraw/zinc/64/81/43/1221648143.db2.gz ZJUCCSLZDZVYDJ-DLBZAZTESA-N 2 1 328.460 2.145 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888768 1221648145 /nfs/dbraw/zinc/64/81/45/1221648145.db2.gz ZJUCCSLZDZVYDJ-DLBZAZTESA-N 2 1 328.460 2.145 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888768 1221648148 /nfs/dbraw/zinc/64/81/48/1221648148.db2.gz ZJUCCSLZDZVYDJ-DLBZAZTESA-N 2 1 328.460 2.145 20 30 EEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000968925562 1221676401 /nfs/dbraw/zinc/67/64/01/1221676401.db2.gz HJJNCVCUGBLYPT-OAHLLOKOSA-N 2 1 334.464 2.287 20 30 EEEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000968925562 1221676403 /nfs/dbraw/zinc/67/64/03/1221676403.db2.gz HJJNCVCUGBLYPT-OAHLLOKOSA-N 2 1 334.464 2.287 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342185 1222182814 /nfs/dbraw/zinc/18/28/14/1222182814.db2.gz FNKPLBIQFSOSII-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007347050 1222184591 /nfs/dbraw/zinc/18/45/91/1222184591.db2.gz XRLOMSDMMANBTL-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007347050 1222184594 /nfs/dbraw/zinc/18/45/94/1222184594.db2.gz XRLOMSDMMANBTL-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007347050 1222184596 /nfs/dbraw/zinc/18/45/96/1222184596.db2.gz XRLOMSDMMANBTL-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007347050 1222184599 /nfs/dbraw/zinc/18/45/99/1222184599.db2.gz XRLOMSDMMANBTL-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702020 1226796340 /nfs/dbraw/zinc/79/63/40/1226796340.db2.gz HVQLBMBSHZQOEV-ZWKOTPCHSA-N 2 1 331.504 2.101 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018990788 1228610835 /nfs/dbraw/zinc/61/08/35/1228610835.db2.gz PQLRSOGINXTQOF-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)c2ccccc2)CC1 ZINC001039041533 1230257455 /nfs/dbraw/zinc/25/74/55/1230257455.db2.gz FAWPSJTWXLOIQM-FXAWDEMLSA-N 2 1 339.483 2.283 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C)cc2)CC1 ZINC001039041806 1230258055 /nfs/dbraw/zinc/25/80/55/1230258055.db2.gz GZDQNRMQKZLMMI-HXUWFJFHSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039152172 1230371697 /nfs/dbraw/zinc/37/16/97/1230371697.db2.gz AUHFZMIYUGNPSO-YSIASYRMSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039152172 1230371700 /nfs/dbraw/zinc/37/17/00/1230371700.db2.gz AUHFZMIYUGNPSO-YSIASYRMSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039152172 1230371705 /nfs/dbraw/zinc/37/17/05/1230371705.db2.gz AUHFZMIYUGNPSO-YSIASYRMSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153000 1230372596 /nfs/dbraw/zinc/37/25/96/1230372596.db2.gz MQMKJMIEEUZUEQ-YTQUADARSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153000 1230372599 /nfs/dbraw/zinc/37/25/99/1230372599.db2.gz MQMKJMIEEUZUEQ-YTQUADARSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153000 1230372604 /nfs/dbraw/zinc/37/26/04/1230372604.db2.gz MQMKJMIEEUZUEQ-YTQUADARSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(=C)C)C2 ZINC001040244076 1231129026 /nfs/dbraw/zinc/12/90/26/1231129026.db2.gz GWUKFKMSNANJTA-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(=C)C)C2 ZINC001040244076 1231129028 /nfs/dbraw/zinc/12/90/28/1231129028.db2.gz GWUKFKMSNANJTA-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(=C)C)C2 ZINC001040244076 1231129030 /nfs/dbraw/zinc/12/90/30/1231129030.db2.gz GWUKFKMSNANJTA-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(=C)C)C2 ZINC001040244076 1231129033 /nfs/dbraw/zinc/12/90/33/1231129033.db2.gz GWUKFKMSNANJTA-PZJWPPBQSA-N 2 1 343.515 2.365 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040298768 1231158241 /nfs/dbraw/zinc/15/82/41/1231158241.db2.gz ZQJYQHJWDYNSBH-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040298768 1231158244 /nfs/dbraw/zinc/15/82/44/1231158244.db2.gz ZQJYQHJWDYNSBH-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545638 1231286392 /nfs/dbraw/zinc/28/63/92/1231286392.db2.gz TWHVRWCJZGACMH-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545638 1231286393 /nfs/dbraw/zinc/28/63/93/1231286393.db2.gz TWHVRWCJZGACMH-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545638 1231286398 /nfs/dbraw/zinc/28/63/98/1231286398.db2.gz TWHVRWCJZGACMH-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677987 1231647304 /nfs/dbraw/zinc/64/73/04/1231647304.db2.gz FGDASGGGOCKTIJ-UXHICEINSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001041677987 1231647306 /nfs/dbraw/zinc/64/73/06/1231647306.db2.gz FGDASGGGOCKTIJ-UXHICEINSA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001041677987 1231647307 /nfs/dbraw/zinc/64/73/07/1231647307.db2.gz FGDASGGGOCKTIJ-UXHICEINSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297652 1232012638 /nfs/dbraw/zinc/01/26/38/1232012638.db2.gz STVLWJSBPODAAI-PKOBYXMFSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042308560 1232019609 /nfs/dbraw/zinc/01/96/09/1232019609.db2.gz WMBLQNZIBDTIMS-UYAOXDASSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045942582 1234201021 /nfs/dbraw/zinc/20/10/21/1234201021.db2.gz VGDUAVSIEQUCTL-QUCCMNQESA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045966891 1234246577 /nfs/dbraw/zinc/24/65/77/1234246577.db2.gz IRVRXSPIEFFIBU-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045966891 1234246579 /nfs/dbraw/zinc/24/65/79/1234246579.db2.gz IRVRXSPIEFFIBU-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001048531901 1237888376 /nfs/dbraw/zinc/88/83/76/1237888376.db2.gz JXMDUFOELZFVRY-HAGHYFMRSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048531901 1237888381 /nfs/dbraw/zinc/88/83/81/1237888381.db2.gz JXMDUFOELZFVRY-HAGHYFMRSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048531901 1237888389 /nfs/dbraw/zinc/88/83/89/1237888389.db2.gz JXMDUFOELZFVRY-HAGHYFMRSA-N 2 1 345.531 2.347 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000020363 1239821817 /nfs/dbraw/zinc/82/18/17/1239821817.db2.gz LWYDZZKENBEHOI-GJZGRUSLSA-N 2 1 336.867 2.087 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049095764 1239988617 /nfs/dbraw/zinc/98/86/17/1239988617.db2.gz GDKYCUCEZLTOMX-CALCHBBNSA-N 2 1 330.476 2.363 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049095764 1239988623 /nfs/dbraw/zinc/98/86/23/1239988623.db2.gz GDKYCUCEZLTOMX-CALCHBBNSA-N 2 1 330.476 2.363 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049488047 1241104929 /nfs/dbraw/zinc/10/49/29/1241104929.db2.gz XMSTYPJOEWANID-FGTMMUONSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049488047 1241104938 /nfs/dbraw/zinc/10/49/38/1241104938.db2.gz XMSTYPJOEWANID-FGTMMUONSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049662913 1241808616 /nfs/dbraw/zinc/80/86/16/1241808616.db2.gz JRTKFOIZMWYTOM-GUDVDZBRSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001049671750 1241834223 /nfs/dbraw/zinc/83/42/23/1241834223.db2.gz HVPWPWQIHHKLBM-GUDVDZBRSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001049671750 1241834230 /nfs/dbraw/zinc/83/42/30/1241834230.db2.gz HVPWPWQIHHKLBM-GUDVDZBRSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001049671750 1241834238 /nfs/dbraw/zinc/83/42/38/1241834238.db2.gz HVPWPWQIHHKLBM-GUDVDZBRSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001049671750 1241834249 /nfs/dbraw/zinc/83/42/49/1241834249.db2.gz HVPWPWQIHHKLBM-GUDVDZBRSA-N 2 1 349.519 2.127 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717541 1241978209 /nfs/dbraw/zinc/97/82/09/1241978209.db2.gz FPWXLCJLNOYHOU-BHIYHBOVSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001049717541 1241978213 /nfs/dbraw/zinc/97/82/13/1241978213.db2.gz FPWXLCJLNOYHOU-BHIYHBOVSA-N 2 1 342.487 2.395 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001049810555 1242266261 /nfs/dbraw/zinc/26/62/61/1242266261.db2.gz MDMKCJNEAFGGLK-MSOLQXFVSA-N 2 1 337.427 2.132 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001049810555 1242266267 /nfs/dbraw/zinc/26/62/67/1242266267.db2.gz MDMKCJNEAFGGLK-MSOLQXFVSA-N 2 1 337.427 2.132 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001001467294 1242328492 /nfs/dbraw/zinc/32/84/92/1242328492.db2.gz ICONMWJXOLGNLY-UHFFFAOYSA-N 2 1 325.456 2.133 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846543 1242403276 /nfs/dbraw/zinc/40/32/76/1242403276.db2.gz JPYSHPOGAZKDBP-ROUUACIJSA-N 2 1 328.460 2.403 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846543 1242403281 /nfs/dbraw/zinc/40/32/81/1242403281.db2.gz JPYSHPOGAZKDBP-ROUUACIJSA-N 2 1 328.460 2.403 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCC(=C)C)CC1 ZINC001049909354 1242657780 /nfs/dbraw/zinc/65/77/80/1242657780.db2.gz AHDSYULJNQZMFQ-VQTJNVASSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3C/C=C\Cl)CC1 ZINC001049920254 1242714500 /nfs/dbraw/zinc/71/45/00/1242714500.db2.gz RCUMWNOWEBPEQT-OETHZFGISA-N 2 1 349.906 2.149 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)CCC=C)CC1 ZINC001111455097 1244599281 /nfs/dbraw/zinc/59/92/81/1244599281.db2.gz MEUZXUMRVLYLSS-AFYVEPGGSA-N 2 1 343.515 2.408 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701490 1244783713 /nfs/dbraw/zinc/78/37/13/1244783713.db2.gz FPNQQMZAKUSXAH-VQIMIIECSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052701490 1244783717 /nfs/dbraw/zinc/78/37/17/1244783717.db2.gz FPNQQMZAKUSXAH-VQIMIIECSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052701490 1244783724 /nfs/dbraw/zinc/78/37/24/1244783724.db2.gz FPNQQMZAKUSXAH-VQIMIIECSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](F)CC)CC2)CC1 ZINC001052957639 1245554622 /nfs/dbraw/zinc/55/46/22/1245554622.db2.gz IGGBCRLHWNYBFB-ROUUACIJSA-N 2 1 337.483 2.050 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053042205 1245750427 /nfs/dbraw/zinc/75/04/27/1245750427.db2.gz ADYXBCDPGYSQIM-VQTJNVASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396845 1245761143 /nfs/dbraw/zinc/76/11/43/1245761143.db2.gz NQQXKZMNHISTAK-HBFSDRIKSA-N 2 1 333.520 2.156 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050049 1245768355 /nfs/dbraw/zinc/76/83/55/1245768355.db2.gz BKEZMHQPZDNVKJ-RBUKOAKNSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]C(C)C)CC1 ZINC001101548663 1245952201 /nfs/dbraw/zinc/95/22/01/1245952201.db2.gz BRVBSDJKFIFOQF-SFHVURJKSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]C(C)C)CC1 ZINC001101548663 1245952207 /nfs/dbraw/zinc/95/22/07/1245952207.db2.gz BRVBSDJKFIFOQF-SFHVURJKSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042332 1247207473 /nfs/dbraw/zinc/20/74/73/1247207473.db2.gz VYBZECSEXFZRRH-NSISKUIASA-N 2 1 341.499 2.446 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042332 1247207483 /nfs/dbraw/zinc/20/74/83/1247207483.db2.gz VYBZECSEXFZRRH-NSISKUIASA-N 2 1 341.499 2.446 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042332 1247207487 /nfs/dbraw/zinc/20/74/87/1247207487.db2.gz VYBZECSEXFZRRH-NSISKUIASA-N 2 1 341.499 2.446 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186283 1247653832 /nfs/dbraw/zinc/65/38/32/1247653832.db2.gz PETPNGJCNGOZTO-IBGZPJMESA-N 2 1 331.460 2.455 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001054296167 1248076703 /nfs/dbraw/zinc/07/67/03/1248076703.db2.gz GROCMBBYCHKNCS-RLLQIKCJSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001054296167 1248076716 /nfs/dbraw/zinc/07/67/16/1248076716.db2.gz GROCMBBYCHKNCS-RLLQIKCJSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072109148 1254934884 /nfs/dbraw/zinc/93/48/84/1254934884.db2.gz CDICUZWQNHMYKB-HOTGVXAUSA-N 2 1 331.460 2.337 20 30 EEEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072109148 1254934891 /nfs/dbraw/zinc/93/48/91/1254934891.db2.gz CDICUZWQNHMYKB-HOTGVXAUSA-N 2 1 331.460 2.337 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050289 1255612141 /nfs/dbraw/zinc/61/21/41/1255612141.db2.gz SBXWUDKQXUTJPJ-HOTGVXAUSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050289 1255612146 /nfs/dbraw/zinc/61/21/46/1255612146.db2.gz SBXWUDKQXUTJPJ-HOTGVXAUSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001073050289 1255612154 /nfs/dbraw/zinc/61/21/54/1255612154.db2.gz SBXWUDKQXUTJPJ-HOTGVXAUSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073050289 1255612158 /nfs/dbraw/zinc/61/21/58/1255612158.db2.gz SBXWUDKQXUTJPJ-HOTGVXAUSA-N 2 1 337.895 2.290 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655901 1280998177 /nfs/dbraw/zinc/99/81/77/1280998177.db2.gz QYLMNARSBOUPHJ-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655901 1280998178 /nfs/dbraw/zinc/99/81/78/1280998178.db2.gz QYLMNARSBOUPHJ-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655901 1280998181 /nfs/dbraw/zinc/99/81/81/1280998181.db2.gz QYLMNARSBOUPHJ-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001191019930 1281177534 /nfs/dbraw/zinc/17/75/34/1281177534.db2.gz RDGGVSKWBAPFOE-SFHVURJKSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001191019930 1281177539 /nfs/dbraw/zinc/17/75/39/1281177539.db2.gz RDGGVSKWBAPFOE-SFHVURJKSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001191019930 1281177546 /nfs/dbraw/zinc/17/75/46/1281177546.db2.gz RDGGVSKWBAPFOE-SFHVURJKSA-N 2 1 342.487 2.321 20 30 EEEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424487 1282501363 /nfs/dbraw/zinc/50/13/63/1282501363.db2.gz MPHWHDKCUWGFRV-MOPGFXCFSA-N 2 1 327.472 2.235 20 30 EEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424487 1282501371 /nfs/dbraw/zinc/50/13/71/1282501371.db2.gz MPHWHDKCUWGFRV-MOPGFXCFSA-N 2 1 327.472 2.235 20 30 EEEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424487 1282501377 /nfs/dbraw/zinc/50/13/77/1282501377.db2.gz MPHWHDKCUWGFRV-MOPGFXCFSA-N 2 1 327.472 2.235 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001193571134 1282569506 /nfs/dbraw/zinc/56/95/06/1282569506.db2.gz QDOAASQQWVRKNF-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275279 1282949801 /nfs/dbraw/zinc/94/98/01/1282949801.db2.gz QVMWSBZGEQUZES-RBUKOAKNSA-N 2 1 345.487 2.025 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275279 1282949802 /nfs/dbraw/zinc/94/98/02/1282949802.db2.gz QVMWSBZGEQUZES-RBUKOAKNSA-N 2 1 345.487 2.025 20 30 EEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001201641508 1289713529 /nfs/dbraw/zinc/71/35/29/1289713529.db2.gz YZRDWJXTDHJXQT-UHFFFAOYSA-N 2 1 330.476 2.309 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001071693470 1294747153 /nfs/dbraw/zinc/74/71/53/1294747153.db2.gz RDTDKNIOYKRGRS-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001071693470 1294747158 /nfs/dbraw/zinc/74/71/58/1294747158.db2.gz RDTDKNIOYKRGRS-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071974137 1295056791 /nfs/dbraw/zinc/05/67/91/1295056791.db2.gz KYUDSRPIBKWNGY-QFBILLFUSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001213437962 1296031106 /nfs/dbraw/zinc/03/11/06/1296031106.db2.gz NNQORWSZYNHEHJ-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001213437962 1296031113 /nfs/dbraw/zinc/03/11/13/1296031113.db2.gz NNQORWSZYNHEHJ-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001213437962 1296031121 /nfs/dbraw/zinc/03/11/21/1296031121.db2.gz NNQORWSZYNHEHJ-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734848 1296072906 /nfs/dbraw/zinc/07/29/06/1296072906.db2.gz RHPPWQCOWPAEJT-HOTGVXAUSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734848 1296072916 /nfs/dbraw/zinc/07/29/16/1296072916.db2.gz RHPPWQCOWPAEJT-HOTGVXAUSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072734848 1296072929 /nfs/dbraw/zinc/07/29/29/1296072929.db2.gz RHPPWQCOWPAEJT-HOTGVXAUSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734848 1296072939 /nfs/dbraw/zinc/07/29/39/1296072939.db2.gz RHPPWQCOWPAEJT-HOTGVXAUSA-N 2 1 337.895 2.148 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938647 1297019780 /nfs/dbraw/zinc/01/97/80/1297019780.db2.gz IIJUUQJWVYOGKP-QZTJIDSGSA-N 2 1 339.524 2.116 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001099173181 1298951967 /nfs/dbraw/zinc/95/19/67/1298951967.db2.gz LLMJFHFIYQLONT-FPOVZHCZSA-N 2 1 339.483 2.356 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCCCF)C[C@H]32)CC1 ZINC001222043979 1299299763 /nfs/dbraw/zinc/29/97/63/1299299763.db2.gz KHZUKGYCRIJOEQ-RTBURBONSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCCC)[C@H]2C1 ZINC001222913633 1299918386 /nfs/dbraw/zinc/91/83/86/1299918386.db2.gz SVXVBJCSQTUYTE-QYZOEREBSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCCC)[C@H]2C1 ZINC001222913633 1299918392 /nfs/dbraw/zinc/91/83/92/1299918392.db2.gz SVXVBJCSQTUYTE-QYZOEREBSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCCC)[C@H]2C1 ZINC001222913633 1299918394 /nfs/dbraw/zinc/91/83/94/1299918394.db2.gz SVXVBJCSQTUYTE-QYZOEREBSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCCC)[C@H]2C1 ZINC001222913633 1299918396 /nfs/dbraw/zinc/91/83/96/1299918396.db2.gz SVXVBJCSQTUYTE-QYZOEREBSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCCC)[C@H]2C1 ZINC001222913633 1299918401 /nfs/dbraw/zinc/91/84/01/1299918401.db2.gz SVXVBJCSQTUYTE-QYZOEREBSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001223495714 1300154656 /nfs/dbraw/zinc/15/46/56/1300154656.db2.gz WQUXNASZEXIXSS-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001223495714 1300154664 /nfs/dbraw/zinc/15/46/64/1300154664.db2.gz WQUXNASZEXIXSS-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP C[NH+](C)CCCC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001228879583 1302500509 /nfs/dbraw/zinc/50/05/09/1302500509.db2.gz PVRYHNUDPRJWOQ-UHFFFAOYSA-N 2 1 334.489 2.042 20 30 EEEDMP C[NH+](C)CCCCC(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001230090455 1303051437 /nfs/dbraw/zinc/05/14/37/1303051437.db2.gz LBHBHWCIZBIURB-UHFFFAOYSA-N 2 1 341.499 2.351 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230618901 1303326535 /nfs/dbraw/zinc/32/65/35/1303326535.db2.gz SPGKFDKNASIUFC-LJQANCHMSA-N 2 1 333.520 2.445 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1cccnc1 ZINC001230800147 1303466236 /nfs/dbraw/zinc/46/62/36/1303466236.db2.gz AEQUXZNJKDFDBT-UHFFFAOYSA-N 2 1 341.459 2.171 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1cccnc1 ZINC001230800147 1303466238 /nfs/dbraw/zinc/46/62/38/1303466238.db2.gz AEQUXZNJKDFDBT-UHFFFAOYSA-N 2 1 341.459 2.171 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)Cc1cccnc1 ZINC001230923496 1303548206 /nfs/dbraw/zinc/54/82/06/1303548206.db2.gz GQDPBIZHINJZHT-UHFFFAOYSA-N 2 1 341.459 2.171 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)Cc1cccnc1 ZINC001230923496 1303548213 /nfs/dbraw/zinc/54/82/13/1303548213.db2.gz GQDPBIZHINJZHT-UHFFFAOYSA-N 2 1 341.459 2.171 20 30 EEEDMP Cc1ccc(C#N)c(NC(=O)[C@@]23C[C@@H]2C[N@@H+](CC2CC[NH2+]CC2)C3)c1 ZINC001277824139 1304675642 /nfs/dbraw/zinc/67/56/42/1304675642.db2.gz OKZMTRYQXJXJEX-YLJYHZDGSA-N 2 1 338.455 2.127 20 30 EEEDMP CC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277888621 1305021846 /nfs/dbraw/zinc/02/18/46/1305021846.db2.gz JXPLEKRYRDMXHG-OAHLLOKOSA-N 2 1 328.460 2.162 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573414 1305398635 /nfs/dbraw/zinc/39/86/35/1305398635.db2.gz QVHWRYGOHOZQHG-INIZCTEOSA-N 2 1 328.460 2.193 20 30 EEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CCCCC1 ZINC001115690939 1305620829 /nfs/dbraw/zinc/62/08/29/1305620829.db2.gz DHGRRCHCKHPQBL-KRWDZBQOSA-N 2 1 337.508 2.080 20 30 EEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(C#N)cc1Cl ZINC001238084500 1306213257 /nfs/dbraw/zinc/21/32/57/1306213257.db2.gz SFHNSLBKPHHEND-ZWKOTPCHSA-N 2 1 332.879 2.422 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120004492 1309275109 /nfs/dbraw/zinc/27/51/09/1309275109.db2.gz BMICFBGAHXPFRB-HNNXBMFYSA-N 2 1 327.900 2.489 20 30 EEEDMP C[N@@H+](CCN1CC[NH2+]CC1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246868926 1310455537 /nfs/dbraw/zinc/45/55/37/1310455537.db2.gz CTZUQIZIUSJDHI-UHFFFAOYSA-N 2 1 326.488 2.421 20 30 EEEDMP C[NH+](C)CCCN1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139706305 1314762352 /nfs/dbraw/zinc/76/23/52/1314762352.db2.gz QPWDDABWWBBOMF-UHFFFAOYSA-N 2 1 325.460 2.109 20 30 EEEDMP C[NH+](C)CCCN1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140115363 1314812915 /nfs/dbraw/zinc/81/29/15/1314812915.db2.gz XOSHZNMFPWZVNS-UHFFFAOYSA-N 2 1 325.460 2.109 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001149946691 1316098943 /nfs/dbraw/zinc/09/89/43/1316098943.db2.gz MBSWUBSNMSLVAD-QZTJIDSGSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCOc1ccc(-c2noc([C@@H]([NH3+])C3CC[NH2+]CC3)n2)c(F)c1 ZINC001249328310 1317054412 /nfs/dbraw/zinc/05/44/12/1317054412.db2.gz VGZNQUUUCIVCQA-HNNXBMFYSA-N 2 1 332.379 2.440 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC2CC(C)C2)CC1 ZINC001157092094 1318396151 /nfs/dbraw/zinc/39/61/51/1318396151.db2.gz KIQVONLJNXLYHH-LXPRWKDFSA-N 2 1 333.520 2.204 20 30 EEEDMP C[NH+]1CCC([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001256208072 1318679246 /nfs/dbraw/zinc/67/92/46/1318679246.db2.gz VTNDKIOTBGRRMU-HXUWFJFHSA-N 2 1 338.455 2.081 20 30 EEEDMP C[NH+]1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001256208072 1318679256 /nfs/dbraw/zinc/67/92/56/1318679256.db2.gz VTNDKIOTBGRRMU-HXUWFJFHSA-N 2 1 338.455 2.081 20 30 EEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001161213866 1320422473 /nfs/dbraw/zinc/42/24/73/1320422473.db2.gz MRZFVGVHIQZAKK-QGZVFWFLSA-N 2 1 328.460 2.078 20 30 EEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001161213866 1320422475 /nfs/dbraw/zinc/42/24/75/1320422475.db2.gz MRZFVGVHIQZAKK-QGZVFWFLSA-N 2 1 328.460 2.078 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704953 1320594969 /nfs/dbraw/zinc/59/49/69/1320594969.db2.gz MJLNBHQEEPULSH-OALUTQOASA-N 2 1 331.504 2.269 20 30 EEEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001162934942 1320991075 /nfs/dbraw/zinc/99/10/75/1320991075.db2.gz MIZZOMGWJYABLD-AZUAARDMSA-N 2 1 343.515 2.421 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N)CC(C)(C)C ZINC001166744153 1321779296 /nfs/dbraw/zinc/77/92/96/1321779296.db2.gz KETXVXNKXGNCIC-UHFFFAOYSA-N 2 1 348.466 2.271 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001203924728 1321990632 /nfs/dbraw/zinc/99/06/32/1321990632.db2.gz GHHBXKOFGIYDOJ-UHFFFAOYSA-N 2 1 334.489 2.041 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001265685891 1323320463 /nfs/dbraw/zinc/32/04/63/1323320463.db2.gz FZYLZTXSFVIVQC-GOSISDBHSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210643940 1325364587 /nfs/dbraw/zinc/36/45/87/1325364587.db2.gz MGSWHVCLCBLLSG-RTBURBONSA-N 2 1 327.472 2.283 20 30 EEEDMP C#CC(C)(C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001307680505 1331545615 /nfs/dbraw/zinc/54/56/15/1331545615.db2.gz UZRFFYVZVUBMEJ-UHFFFAOYSA-N 2 1 341.499 2.373 20 30 EEEDMP C#CC(C)(C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001307680505 1331545620 /nfs/dbraw/zinc/54/56/20/1331545620.db2.gz UZRFFYVZVUBMEJ-UHFFFAOYSA-N 2 1 341.499 2.373 20 30 EEEDMP C#CC(C)(C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001307680505 1331545623 /nfs/dbraw/zinc/54/56/23/1331545623.db2.gz UZRFFYVZVUBMEJ-UHFFFAOYSA-N 2 1 341.499 2.373 20 30 EEEDMP C#CC(C)(C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001307680505 1331545627 /nfs/dbraw/zinc/54/56/27/1331545627.db2.gz UZRFFYVZVUBMEJ-UHFFFAOYSA-N 2 1 341.499 2.373 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC001336779182 1336593436 /nfs/dbraw/zinc/59/34/36/1336593436.db2.gz IGJIEGOCPXEKNC-QGZVFWFLSA-N 2 1 336.863 2.157 20 30 EEEDMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC001646520952 1352862017 /nfs/dbraw/zinc/86/20/17/1352862017.db2.gz QMIIKDZPTMTGQH-SJORKVTESA-N 2 1 331.460 2.008 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071939140 1370583102 /nfs/dbraw/zinc/58/31/02/1370583102.db2.gz QNRFSYZJMSYRCJ-WBVHZDCISA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071939140 1370583108 /nfs/dbraw/zinc/58/31/08/1370583108.db2.gz QNRFSYZJMSYRCJ-WBVHZDCISA-N 2 1 339.443 2.426 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC001390474547 1388647258 /nfs/dbraw/zinc/64/72/58/1388647258.db2.gz DRKIBMJOMJOYSM-CQSZACIVSA-N 2 1 348.466 2.270 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001393829418 1390555015 /nfs/dbraw/zinc/55/50/15/1390555015.db2.gz WBLZXENVFKCXRF-ZDUSSCGKSA-N 2 1 333.823 2.118 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001398734845 1394170582 /nfs/dbraw/zinc/17/05/82/1394170582.db2.gz YCPPDBQWIZWCKR-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001400241760 1396096265 /nfs/dbraw/zinc/09/62/65/1396096265.db2.gz GHUOEZTWFIZWHI-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001400241760 1396096272 /nfs/dbraw/zinc/09/62/72/1396096272.db2.gz GHUOEZTWFIZWHI-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001400241760 1396096286 /nfs/dbraw/zinc/09/62/86/1396096286.db2.gz GHUOEZTWFIZWHI-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001401141581 1396975568 /nfs/dbraw/zinc/97/55/68/1396975568.db2.gz VFRGNVOPRLGDIJ-KBXCAEBGSA-N 2 1 346.450 2.024 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001402239333 1397887147 /nfs/dbraw/zinc/88/71/47/1397887147.db2.gz GKWXXYJXDSWIBO-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CCC1 ZINC001402566438 1398062625 /nfs/dbraw/zinc/06/26/25/1398062625.db2.gz PWPNTFHJXCCRGU-SFHVURJKSA-N 2 1 340.471 2.171 20 30 EEEDMP C=C(C)C[NH2+]C1(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CCC1 ZINC001754987156 1407020668 /nfs/dbraw/zinc/02/06/68/1407020668.db2.gz IVRXZGWOGVGJQT-UHFFFAOYSA-N 2 1 332.448 2.089 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001423340084 1400534829 /nfs/dbraw/zinc/53/48/29/1400534829.db2.gz BDYVHOUXHTVKEW-DOTOQJQBSA-N 2 1 335.879 2.450 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001423340084 1400534833 /nfs/dbraw/zinc/53/48/33/1400534833.db2.gz BDYVHOUXHTVKEW-DOTOQJQBSA-N 2 1 335.879 2.450 20 30 EEEDMP C#CCC[N@@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001755529779 1407593979 /nfs/dbraw/zinc/59/39/79/1407593979.db2.gz IIEZOMPKNIJMRF-MRXNPFEDSA-N 2 1 330.476 2.343 20 30 EEEDMP C#CCC[N@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001755529779 1407593981 /nfs/dbraw/zinc/59/39/81/1407593981.db2.gz IIEZOMPKNIJMRF-MRXNPFEDSA-N 2 1 330.476 2.343 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001087776865 782226959 /nfs/dbraw/zinc/22/69/59/782226959.db2.gz BGYOWKZOKQQDPE-ZWKOTPCHSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001087776865 782226964 /nfs/dbraw/zinc/22/69/64/782226964.db2.gz BGYOWKZOKQQDPE-ZWKOTPCHSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001089863407 782299252 /nfs/dbraw/zinc/29/92/52/782299252.db2.gz ZQCMBPVEFAFMDF-RDGPPVDQSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089863407 782299261 /nfs/dbraw/zinc/29/92/61/782299261.db2.gz ZQCMBPVEFAFMDF-RDGPPVDQSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089863407 782299270 /nfs/dbraw/zinc/29/92/70/782299270.db2.gz ZQCMBPVEFAFMDF-RDGPPVDQSA-N 2 1 345.531 2.463 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439742 782357405 /nfs/dbraw/zinc/35/74/05/782357405.db2.gz UEHQZVXFBQERCL-PKOBYXMFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439742 782357411 /nfs/dbraw/zinc/35/74/11/782357411.db2.gz UEHQZVXFBQERCL-PKOBYXMFSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439742 782357426 /nfs/dbraw/zinc/35/74/26/782357426.db2.gz UEHQZVXFBQERCL-PKOBYXMFSA-N 2 1 331.504 2.340 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc3nonc32)CC1 ZINC001203142131 757487130 /nfs/dbraw/zinc/48/71/30/757487130.db2.gz BBZWBHXELWNCNC-UHFFFAOYSA-N 2 1 341.459 2.014 20 30 EEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001167299138 757793486 /nfs/dbraw/zinc/79/34/86/757793486.db2.gz MSWBCUBTTNJIPQ-MOPGFXCFSA-N 2 1 341.499 2.394 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104754003 765206481 /nfs/dbraw/zinc/20/64/81/765206481.db2.gz YSFKKKHHTZUKCS-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527326 770116610 /nfs/dbraw/zinc/11/66/10/770116610.db2.gz NLMGTZOABGUFNU-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089649164 773757179 /nfs/dbraw/zinc/75/71/79/773757179.db2.gz CPQOXCBSXWOYJB-MSOLQXFVSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649164 773757182 /nfs/dbraw/zinc/75/71/82/773757182.db2.gz CPQOXCBSXWOYJB-MSOLQXFVSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649164 773757187 /nfs/dbraw/zinc/75/71/87/773757187.db2.gz CPQOXCBSXWOYJB-MSOLQXFVSA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980220279 774134572 /nfs/dbraw/zinc/13/45/72/774134572.db2.gz ZBOPNKNEBYHGBL-GVDBMIGSSA-N 2 1 340.471 2.001 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980238259 774171925 /nfs/dbraw/zinc/17/19/25/774171925.db2.gz JAXIOFRSUMBXBK-ARFHVFGLSA-N 2 1 336.867 2.161 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980238259 774171929 /nfs/dbraw/zinc/17/19/29/774171929.db2.gz JAXIOFRSUMBXBK-ARFHVFGLSA-N 2 1 336.867 2.161 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089683926 774308118 /nfs/dbraw/zinc/30/81/18/774308118.db2.gz KMUFXIQBSKIEMO-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089683926 774308123 /nfs/dbraw/zinc/30/81/23/774308123.db2.gz KMUFXIQBSKIEMO-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089683926 774308130 /nfs/dbraw/zinc/30/81/30/774308130.db2.gz KMUFXIQBSKIEMO-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779430 783191054 /nfs/dbraw/zinc/19/10/54/783191054.db2.gz ORPCXVSFLZEHRH-INDMIFKZSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779430 783191060 /nfs/dbraw/zinc/19/10/60/783191060.db2.gz ORPCXVSFLZEHRH-INDMIFKZSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779430 783191064 /nfs/dbraw/zinc/19/10/64/783191064.db2.gz ORPCXVSFLZEHRH-INDMIFKZSA-N 2 1 333.520 2.321 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC000997624674 790468889 /nfs/dbraw/zinc/46/88/89/790468889.db2.gz WKQXIRKJCUSPAJ-RYRKJORJSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC000997624674 790468901 /nfs/dbraw/zinc/46/89/01/790468901.db2.gz WKQXIRKJCUSPAJ-RYRKJORJSA-N 2 1 337.483 2.049 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000981341231 777184868 /nfs/dbraw/zinc/18/48/68/777184868.db2.gz RJAPTNUOCCTTKZ-HZPDHXFCSA-N 2 1 346.475 2.477 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839009 777493756 /nfs/dbraw/zinc/49/37/56/777493756.db2.gz ODKHQMOHBJCDFV-QLIIJSOBSA-N 2 1 348.450 2.140 20 30 EEEDMP C=C(Cl)CN1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000981804210 778232587 /nfs/dbraw/zinc/23/25/87/778232587.db2.gz KKISDHIUKGKWHX-INIZCTEOSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981812966 778258810 /nfs/dbraw/zinc/25/88/10/778258810.db2.gz AEBLIAHKDLBWSY-OAHLLOKOSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981812966 778258815 /nfs/dbraw/zinc/25/88/15/778258815.db2.gz AEBLIAHKDLBWSY-OAHLLOKOSA-N 2 1 325.884 2.004 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279992 779518424 /nfs/dbraw/zinc/51/84/24/779518424.db2.gz PPKSAHBXDKNLKE-IZZBFERCSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982279992 779518430 /nfs/dbraw/zinc/51/84/30/779518430.db2.gz PPKSAHBXDKNLKE-IZZBFERCSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394491 781792484 /nfs/dbraw/zinc/79/24/84/781792484.db2.gz YMRYZXOCUDFNDB-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105395646 781886416 /nfs/dbraw/zinc/88/64/16/781886416.db2.gz BYKRMCQAIDQAJH-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199854 784038461 /nfs/dbraw/zinc/03/84/61/784038461.db2.gz ROLGZCJFXOKISA-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035199854 784038465 /nfs/dbraw/zinc/03/84/65/784038465.db2.gz ROLGZCJFXOKISA-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035199854 784038469 /nfs/dbraw/zinc/03/84/69/784038469.db2.gz ROLGZCJFXOKISA-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244894 784177509 /nfs/dbraw/zinc/17/75/09/784177509.db2.gz WHRDMFWNMZSTLO-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135676610 784210900 /nfs/dbraw/zinc/21/09/00/784210900.db2.gz ZEWAZHPUGFBSHT-ROUUACIJSA-N 2 1 339.524 2.328 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001035260189 784215207 /nfs/dbraw/zinc/21/52/07/784215207.db2.gz RUPHISFYBLQHPY-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035260189 784215209 /nfs/dbraw/zinc/21/52/09/784215209.db2.gz RUPHISFYBLQHPY-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035260189 784215216 /nfs/dbraw/zinc/21/52/16/784215216.db2.gz RUPHISFYBLQHPY-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001035571721 784706029 /nfs/dbraw/zinc/70/60/29/784706029.db2.gz HQEXQDYQCGGPIK-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001035571721 784706034 /nfs/dbraw/zinc/70/60/34/784706034.db2.gz HQEXQDYQCGGPIK-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001035571721 784706038 /nfs/dbraw/zinc/70/60/38/784706038.db2.gz HQEXQDYQCGGPIK-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001035571721 784706044 /nfs/dbraw/zinc/70/60/44/784706044.db2.gz HQEXQDYQCGGPIK-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135975763 784925009 /nfs/dbraw/zinc/92/50/09/784925009.db2.gz BZJINHLRYCIDRP-IAGOWNOFSA-N 2 1 347.478 2.392 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC000996209616 786156288 /nfs/dbraw/zinc/15/62/88/786156288.db2.gz VLMRTAFILNANIX-WBVHZDCISA-N 2 1 330.476 2.157 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)ccc1F ZINC000825160682 788491937 /nfs/dbraw/zinc/49/19/37/788491937.db2.gz UTIJNUAPPXUXPC-INIZCTEOSA-N 2 1 346.450 2.185 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991474943 789021986 /nfs/dbraw/zinc/02/19/86/789021986.db2.gz ROFDSONWANNFGE-AZUAARDMSA-N 2 1 336.439 2.393 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991498872 789128148 /nfs/dbraw/zinc/12/81/48/789128148.db2.gz CHIBCFMQMPAPCX-SJLPKXTDSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991498872 789128153 /nfs/dbraw/zinc/12/81/53/789128153.db2.gz CHIBCFMQMPAPCX-SJLPKXTDSA-N 2 1 332.448 2.039 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC000997148896 789138021 /nfs/dbraw/zinc/13/80/21/789138021.db2.gz LFOWWNICEVCXHM-NJAFHUGGSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC000997148896 789138027 /nfs/dbraw/zinc/13/80/27/789138027.db2.gz LFOWWNICEVCXHM-NJAFHUGGSA-N 2 1 337.483 2.049 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997389246 789882021 /nfs/dbraw/zinc/88/20/21/789882021.db2.gz CFBJAICMVXGNBG-CQSZACIVSA-N 2 1 325.884 2.051 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146591912 791360512 /nfs/dbraw/zinc/36/05/12/791360512.db2.gz IGGYIWHIYFLMLF-HOTGVXAUSA-N 2 1 330.476 2.271 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001086945506 793042325 /nfs/dbraw/zinc/04/23/25/793042325.db2.gz CPSNURPEPOHMTE-QGZVFWFLSA-N 2 1 342.487 2.343 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776333 793228760 /nfs/dbraw/zinc/22/87/60/793228760.db2.gz IXUXENNDJZBYCH-MJGOQNOKSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCCC)CC3)CC1 ZINC000992506550 794445870 /nfs/dbraw/zinc/44/58/70/794445870.db2.gz JOMNAARVUNIFMQ-UYAOXDASSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106250075 795290621 /nfs/dbraw/zinc/29/06/21/795290621.db2.gz XUBAZIGZGLNBNX-BRWVUGGUSA-N 2 1 330.476 2.411 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479515 795682035 /nfs/dbraw/zinc/68/20/35/795682035.db2.gz DGBVWCLOOVNXMW-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094497282 796290848 /nfs/dbraw/zinc/29/08/48/796290848.db2.gz REMAOWGDDIRELJ-QWFCFKBJSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497282 796290855 /nfs/dbraw/zinc/29/08/55/796290855.db2.gz REMAOWGDDIRELJ-QWFCFKBJSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497282 796290859 /nfs/dbraw/zinc/29/08/59/796290859.db2.gz REMAOWGDDIRELJ-QWFCFKBJSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCC(C)C)C2)CC1 ZINC001036904940 796448634 /nfs/dbraw/zinc/44/86/34/796448634.db2.gz ZWOKXKJSDZOALD-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+]([C@H](C)CCCC#N)CCC2 ZINC001172496079 797007652 /nfs/dbraw/zinc/00/76/52/797007652.db2.gz XDQDLXMMJKKSDQ-MRXNPFEDSA-N 2 1 345.491 2.373 20 30 EEEDMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H](C)CCCC#N)CCC2 ZINC001172496079 797007656 /nfs/dbraw/zinc/00/76/56/797007656.db2.gz XDQDLXMMJKKSDQ-MRXNPFEDSA-N 2 1 345.491 2.373 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)ncc4C3)[C@@H]2C1 ZINC001084663608 798354936 /nfs/dbraw/zinc/35/49/36/798354936.db2.gz KQSVTACJYZPYEZ-ZHALLVOQSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001084663608 798354943 /nfs/dbraw/zinc/35/49/43/798354943.db2.gz KQSVTACJYZPYEZ-ZHALLVOQSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001084663608 798354952 /nfs/dbraw/zinc/35/49/52/798354952.db2.gz KQSVTACJYZPYEZ-ZHALLVOQSA-N 2 1 342.487 2.253 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563767 798497650 /nfs/dbraw/zinc/49/76/50/798497650.db2.gz HEDSNTIIGOZARL-APWZRJJASA-N 2 1 342.487 2.275 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001176843798 798599402 /nfs/dbraw/zinc/59/94/02/798599402.db2.gz BCGGWIVNKRMKPM-GASCZTMLSA-N 2 1 346.450 2.166 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003375479 799579777 /nfs/dbraw/zinc/57/97/77/799579777.db2.gz QDAYADVRYLAARL-INIZCTEOSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150817881 799580470 /nfs/dbraw/zinc/58/04/70/799580470.db2.gz IMPBBWANQKCQLS-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001108215057 801469582 /nfs/dbraw/zinc/46/95/82/801469582.db2.gz AKPFEQDJPGRCNK-LJQANCHMSA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001108215057 801469586 /nfs/dbraw/zinc/46/95/86/801469586.db2.gz AKPFEQDJPGRCNK-LJQANCHMSA-N 2 1 339.524 2.138 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001108215057 801469592 /nfs/dbraw/zinc/46/95/92/801469592.db2.gz AKPFEQDJPGRCNK-LJQANCHMSA-N 2 1 339.524 2.138 20 30 EEEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001184681953 802149569 /nfs/dbraw/zinc/14/95/69/802149569.db2.gz ACUDFWDNBLEHAL-DLBZAZTESA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472234 802161701 /nfs/dbraw/zinc/16/17/01/802161701.db2.gz FLZZCUVEBZVTBC-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001004472234 802161703 /nfs/dbraw/zinc/16/17/03/802161703.db2.gz FLZZCUVEBZVTBC-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001004472234 802161706 /nfs/dbraw/zinc/16/17/06/802161706.db2.gz FLZZCUVEBZVTBC-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004482746 802204548 /nfs/dbraw/zinc/20/45/48/802204548.db2.gz ROBKANIJPGUDAE-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623764 802291445 /nfs/dbraw/zinc/29/14/45/802291445.db2.gz PSPHTAPOCJVETL-IXDOHACOSA-N 2 1 328.460 2.117 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623764 802291450 /nfs/dbraw/zinc/29/14/50/802291450.db2.gz PSPHTAPOCJVETL-IXDOHACOSA-N 2 1 328.460 2.117 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185225838 802405792 /nfs/dbraw/zinc/40/57/92/802405792.db2.gz MEPQVKDFVUVNQE-DLBZAZTESA-N 2 1 330.476 2.104 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642878 802552856 /nfs/dbraw/zinc/55/28/56/802552856.db2.gz TUDZIXJQOGJNAS-FCGDIQPGSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642878 802552859 /nfs/dbraw/zinc/55/28/59/802552859.db2.gz TUDZIXJQOGJNAS-FCGDIQPGSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642878 802552862 /nfs/dbraw/zinc/55/28/62/802552862.db2.gz TUDZIXJQOGJNAS-FCGDIQPGSA-N 2 1 331.504 2.360 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086401931 802895813 /nfs/dbraw/zinc/89/58/13/802895813.db2.gz ATVAANKBMMWXMQ-GUDVDZBRSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCCCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001108356461 803361581 /nfs/dbraw/zinc/36/15/81/803361581.db2.gz FGIVNBPHXMRACK-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108356461 803361588 /nfs/dbraw/zinc/36/15/88/803361588.db2.gz FGIVNBPHXMRACK-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108356461 803361600 /nfs/dbraw/zinc/36/16/00/803361600.db2.gz FGIVNBPHXMRACK-LJQANCHMSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001130423795 811618249 /nfs/dbraw/zinc/61/82/49/811618249.db2.gz WMBPSVPGARPNMB-WBVHZDCISA-N 2 1 347.507 2.122 20 30 EEEDMP CCCN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1C#N ZINC001437753606 1090320522 /nfs/dbraw/zinc/32/05/22/1090320522.db2.gz PAVQSPVZFVPPMP-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccccc1C#N ZINC001437753606 1090320536 /nfs/dbraw/zinc/32/05/36/1090320536.db2.gz PAVQSPVZFVPPMP-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1C#N ZINC001437753606 1090320541 /nfs/dbraw/zinc/32/05/41/1090320541.db2.gz PAVQSPVZFVPPMP-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1C#N ZINC001437753606 1090320552 /nfs/dbraw/zinc/32/05/52/1090320552.db2.gz PAVQSPVZFVPPMP-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001438615429 1091104455 /nfs/dbraw/zinc/10/44/55/1091104455.db2.gz YMMPOXOPEZGOGL-UHFFFAOYSA-N 2 1 342.487 2.419 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001438874187 1091519363 /nfs/dbraw/zinc/51/93/63/1091519363.db2.gz AKWHAVPPLYSWSH-KRWDZBQOSA-N 2 1 348.516 2.383 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001438874187 1091519368 /nfs/dbraw/zinc/51/93/68/1091519368.db2.gz AKWHAVPPLYSWSH-KRWDZBQOSA-N 2 1 348.516 2.383 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)s1 ZINC001438874187 1091519374 /nfs/dbraw/zinc/51/93/74/1091519374.db2.gz AKWHAVPPLYSWSH-KRWDZBQOSA-N 2 1 348.516 2.383 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001438874187 1091519378 /nfs/dbraw/zinc/51/93/78/1091519378.db2.gz AKWHAVPPLYSWSH-KRWDZBQOSA-N 2 1 348.516 2.383 20 30 EEEDMP CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)CC[NH+]1CCCCC1 ZINC001496841563 1101580346 /nfs/dbraw/zinc/58/03/46/1101580346.db2.gz GZSNWOFKPYPKLE-UHFFFAOYSA-N 2 1 342.487 2.324 20 30 EEEDMP C[C@@H](C[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001496083765 1102030515 /nfs/dbraw/zinc/03/05/15/1102030515.db2.gz WVKHDPRWNVNTEF-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480713169 1106940170 /nfs/dbraw/zinc/94/01/70/1106940170.db2.gz ZJBLMCQYWFJHET-OALUTQOASA-N 2 1 342.487 2.417 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001498382563 1107426060 /nfs/dbraw/zinc/42/60/60/1107426060.db2.gz WNYJNFWLBNNQSI-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498382563 1107426080 /nfs/dbraw/zinc/42/60/80/1107426080.db2.gz WNYJNFWLBNNQSI-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP C[C@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498382563 1107426085 /nfs/dbraw/zinc/42/60/85/1107426085.db2.gz WNYJNFWLBNNQSI-MRXNPFEDSA-N 2 1 344.503 2.473 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001505847964 1114230645 /nfs/dbraw/zinc/23/06/45/1114230645.db2.gz HQZOLAWJYQLYRX-AWEZNQCLSA-N 2 1 348.516 2.146 20 30 EEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000129116460 530064362 /nfs/dbraw/zinc/06/43/62/530064362.db2.gz CTLFYOJVTZFGQN-WMZOPIPTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000129116460 530064363 /nfs/dbraw/zinc/06/43/63/530064363.db2.gz CTLFYOJVTZFGQN-WMZOPIPTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000129116460 530064364 /nfs/dbraw/zinc/06/43/64/530064364.db2.gz CTLFYOJVTZFGQN-WMZOPIPTSA-N 2 1 326.444 2.303 20 30 EEEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000491450701 246035331 /nfs/dbraw/zinc/03/53/31/246035331.db2.gz BNUVBEHMWBAJBK-QGZVFWFLSA-N 2 1 327.472 2.290 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)cc1 ZINC000129860586 292364274 /nfs/dbraw/zinc/36/42/74/292364274.db2.gz WMKJCYFCYAUYDD-SFHVURJKSA-N 2 1 343.475 2.438 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000247246352 160316857 /nfs/dbraw/zinc/31/68/57/160316857.db2.gz ZMRDARHTKBNCOH-RTBURBONSA-N 2 1 343.471 2.248 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000247246352 160316858 /nfs/dbraw/zinc/31/68/58/160316858.db2.gz ZMRDARHTKBNCOH-RTBURBONSA-N 2 1 343.471 2.248 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942260610 782085018 /nfs/dbraw/zinc/08/50/18/782085018.db2.gz ZARAYTYBOXIFOS-ZFWWWQNUSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942260610 782085028 /nfs/dbraw/zinc/08/50/28/782085028.db2.gz ZARAYTYBOXIFOS-ZFWWWQNUSA-N 2 1 325.884 2.194 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000566109512 319246098 /nfs/dbraw/zinc/24/60/98/319246098.db2.gz RZYAZINKIPXTBL-MSOLQXFVSA-N 2 1 331.460 2.008 20 30 EEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113095 462690123 /nfs/dbraw/zinc/69/01/23/462690123.db2.gz KNQLAMGSIFHCDI-AEFFLSMTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113095 462690127 /nfs/dbraw/zinc/69/01/27/462690127.db2.gz KNQLAMGSIFHCDI-AEFFLSMTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113095 462690130 /nfs/dbraw/zinc/69/01/30/462690130.db2.gz KNQLAMGSIFHCDI-AEFFLSMTSA-N 2 1 326.444 2.303 20 30 EEEDMP C[C@](C#N)(NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000048562950 462919125 /nfs/dbraw/zinc/91/91/25/462919125.db2.gz WKZRSRIYPDTARP-HXUWFJFHSA-N 2 1 346.519 2.383 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCC#N)CC3CC3)CC2)CC1 ZINC000553163388 468352300 /nfs/dbraw/zinc/35/23/00/468352300.db2.gz PEKRFEWXSBLHSX-UHFFFAOYSA-N 2 1 346.519 2.335 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)N1CCCCC1 ZINC000264079266 464280588 /nfs/dbraw/zinc/28/05/88/464280588.db2.gz ICUZPZJDXXEOSX-IRXDYDNUSA-N 2 1 347.507 2.195 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000264095065 464281901 /nfs/dbraw/zinc/28/19/01/464281901.db2.gz LVKGDVJNMLHTJS-OAHLLOKOSA-N 2 1 348.491 2.373 20 30 EEEDMP COc1cc(CNc2ccc(N3CCN(C)CC3)cn2)ccc1C#N ZINC000281756957 464574607 /nfs/dbraw/zinc/57/46/07/464574607.db2.gz RJTPTOMXJRNGNT-UHFFFAOYSA-N 2 1 337.427 2.326 20 30 EEEDMP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1ccccn1 ZINC000190536918 464669823 /nfs/dbraw/zinc/66/98/23/464669823.db2.gz ZJMPKLVJZZLMSJ-QGZVFWFLSA-N 2 1 339.443 2.099 20 30 EEEDMP CCN(CCC#N)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274829507 464757336 /nfs/dbraw/zinc/75/73/36/464757336.db2.gz LRDSQYPDTPBOIH-HKUYNNGSSA-N 2 1 342.487 2.249 20 30 EEEDMP CCN(CCC#N)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274829507 464757339 /nfs/dbraw/zinc/75/73/39/464757339.db2.gz LRDSQYPDTPBOIH-HKUYNNGSSA-N 2 1 342.487 2.249 20 30 EEEDMP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000249760474 464914648 /nfs/dbraw/zinc/91/46/48/464914648.db2.gz MNRDRRJJEUXECY-DLBZAZTESA-N 2 1 327.472 2.289 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329879790 465460455 /nfs/dbraw/zinc/46/04/55/465460455.db2.gz MTBCIYXGHICWIA-GASCZTMLSA-N 2 1 331.464 2.294 20 30 EEEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370699490 466969929 /nfs/dbraw/zinc/96/99/29/466969929.db2.gz QVLRXKVHPJTJHY-AZUAARDMSA-N 2 1 341.499 2.156 20 30 EEEDMP C#CCOc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370699490 466969935 /nfs/dbraw/zinc/96/99/35/466969935.db2.gz QVLRXKVHPJTJHY-AZUAARDMSA-N 2 1 341.499 2.156 20 30 EEEDMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)COc1ccccc1C#N ZINC000603119879 469272288 /nfs/dbraw/zinc/27/22/88/469272288.db2.gz NFEVCXQFWPPRTC-IBGZPJMESA-N 2 1 345.487 2.496 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640614413 470970513 /nfs/dbraw/zinc/97/05/13/470970513.db2.gz VGMMOKLVNCKZOW-UHFFFAOYSA-N 2 1 331.464 2.305 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723297 782132197 /nfs/dbraw/zinc/13/21/97/782132197.db2.gz KGHKMQPVVYNHMW-FRQCXROJSA-N 2 1 337.483 2.191 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723297 782132205 /nfs/dbraw/zinc/13/22/05/782132205.db2.gz KGHKMQPVVYNHMW-FRQCXROJSA-N 2 1 337.483 2.191 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723297 782132212 /nfs/dbraw/zinc/13/22/12/782132212.db2.gz KGHKMQPVVYNHMW-FRQCXROJSA-N 2 1 337.483 2.191 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004030 527634208 /nfs/dbraw/zinc/63/42/08/527634208.db2.gz GCEXXUHHCQUAOM-DLBZAZTESA-N 2 1 330.476 2.264 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004030 527634211 /nfs/dbraw/zinc/63/42/11/527634211.db2.gz GCEXXUHHCQUAOM-DLBZAZTESA-N 2 1 330.476 2.264 20 30 EEEDMP CCc1cccc(NC(=[NH2+])NCCCCN2CC[NH+](CC)CC2)c1 ZINC000104170017 529177121 /nfs/dbraw/zinc/17/71/21/529177121.db2.gz QBCATYIIRHSBBF-UHFFFAOYSA-N 2 1 331.508 2.393 20 30 EEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763411592 577720796 /nfs/dbraw/zinc/72/07/96/577720796.db2.gz AQRKMFGDLPNTEX-MOPGFXCFSA-N 2 1 331.460 2.024 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000764390608 577735240 /nfs/dbraw/zinc/73/52/40/577735240.db2.gz XCKOUTFPGLINCI-UHFFFAOYSA-N 2 1 337.414 2.163 20 30 EEEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969153996 674639949 /nfs/dbraw/zinc/63/99/49/674639949.db2.gz UZIXCTRCDAMHKY-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969153996 674639951 /nfs/dbraw/zinc/63/99/51/674639951.db2.gz UZIXCTRCDAMHKY-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153996 674639952 /nfs/dbraw/zinc/63/99/52/674639952.db2.gz UZIXCTRCDAMHKY-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153996 674639955 /nfs/dbraw/zinc/63/99/55/674639955.db2.gz UZIXCTRCDAMHKY-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCCF)CC1 ZINC000969156589 674648742 /nfs/dbraw/zinc/64/87/42/674648742.db2.gz XHFLNZUQIJNIDY-SFHVURJKSA-N 2 1 337.483 2.052 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173999 675876961 /nfs/dbraw/zinc/87/69/61/675876961.db2.gz KMFMIIYVIQCVMK-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173999 675876963 /nfs/dbraw/zinc/87/69/63/675876963.db2.gz KMFMIIYVIQCVMK-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173999 675876967 /nfs/dbraw/zinc/87/69/67/675876967.db2.gz KMFMIIYVIQCVMK-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001022165758 676713055 /nfs/dbraw/zinc/71/30/55/676713055.db2.gz DWIANIIMWURDAI-MJBXVCDLSA-N 2 1 344.297 2.006 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001026892917 685258516 /nfs/dbraw/zinc/25/85/16/685258516.db2.gz DUPXMVSYOLWPPQ-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001026892917 685258520 /nfs/dbraw/zinc/25/85/20/685258520.db2.gz DUPXMVSYOLWPPQ-PMACEKPBSA-N 2 1 339.483 2.031 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553859 681635917 /nfs/dbraw/zinc/63/59/17/681635917.db2.gz RBCFHUOYKBYVPI-QGZVKYPTSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553859 681635920 /nfs/dbraw/zinc/63/59/20/681635920.db2.gz RBCFHUOYKBYVPI-QGZVKYPTSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553859 681635922 /nfs/dbraw/zinc/63/59/22/681635922.db2.gz RBCFHUOYKBYVPI-QGZVKYPTSA-N 2 1 333.520 2.321 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982605344 681782930 /nfs/dbraw/zinc/78/29/30/681782930.db2.gz KWIRRKAFDWXCLV-QRQLOZEOSA-N 2 1 328.460 2.028 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259450 682338768 /nfs/dbraw/zinc/33/87/68/682338768.db2.gz PRFPHCWJGFKOSC-QZTJIDSGSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@@H+]2CC)CC1 ZINC001025300356 682413106 /nfs/dbraw/zinc/41/31/06/682413106.db2.gz CJAYOMYFCPQVRH-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000262353892 685591150 /nfs/dbraw/zinc/59/11/50/685591150.db2.gz FNJZZPJNCUOCBE-GVDBMIGSSA-N 2 1 336.524 2.039 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597136 683079835 /nfs/dbraw/zinc/07/98/35/683079835.db2.gz NKYAMXPYOHNRKO-CVEARBPZSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597136 683079840 /nfs/dbraw/zinc/07/98/40/683079840.db2.gz NKYAMXPYOHNRKO-CVEARBPZSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598260 685093946 /nfs/dbraw/zinc/09/39/46/685093946.db2.gz BEAFTZZGBREBBN-PKOBYXMFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598260 685093955 /nfs/dbraw/zinc/09/39/55/685093955.db2.gz BEAFTZZGBREBBN-PKOBYXMFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598260 685093964 /nfs/dbraw/zinc/09/39/64/685093964.db2.gz BEAFTZZGBREBBN-PKOBYXMFSA-N 2 1 345.531 2.491 20 30 EEEDMP C[NH+]=C(NCc1cc(-c2ccccc2)no1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262748261 688315077 /nfs/dbraw/zinc/31/50/77/688315077.db2.gz GEOZXSRELLTXAR-OAHLLOKOSA-N 2 1 339.443 2.243 20 30 EEEDMP C[NH+]=C(NCc1cc(-c2ccccc2)no1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262748261 688315082 /nfs/dbraw/zinc/31/50/82/688315082.db2.gz GEOZXSRELLTXAR-OAHLLOKOSA-N 2 1 339.443 2.243 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040201259 690596543 /nfs/dbraw/zinc/59/65/43/690596543.db2.gz LSDYZCPEOFQCRO-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201259 690596545 /nfs/dbraw/zinc/59/65/45/690596545.db2.gz LSDYZCPEOFQCRO-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201259 690596550 /nfs/dbraw/zinc/59/65/50/690596550.db2.gz LSDYZCPEOFQCRO-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@H+]1CCCN(C(=O)CN2CCc3sccc3C2)CC1 ZINC000989723324 692223125 /nfs/dbraw/zinc/22/31/25/692223125.db2.gz UKUFNMZGJAQGDB-UHFFFAOYSA-N 2 1 333.501 2.217 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990685825 693218535 /nfs/dbraw/zinc/21/85/35/693218535.db2.gz MJWUDAJHZNSDKL-JFIYKMOQSA-N 2 1 337.895 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990685825 693218539 /nfs/dbraw/zinc/21/85/39/693218539.db2.gz MJWUDAJHZNSDKL-JFIYKMOQSA-N 2 1 337.895 2.194 20 30 EEEDMP C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001485727558 1191919499 /nfs/dbraw/zinc/91/94/99/1191919499.db2.gz MLSRUZVEJUEDEH-PBHICJAKSA-N 2 1 348.516 2.479 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCCC=C)C1 ZINC001752508061 1181916019 /nfs/dbraw/zinc/91/60/19/1181916019.db2.gz LPOPZCGKJZHLGU-MOPGFXCFSA-N 2 1 331.504 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCCC=C)C1 ZINC001752508061 1181916022 /nfs/dbraw/zinc/91/60/22/1181916022.db2.gz LPOPZCGKJZHLGU-MOPGFXCFSA-N 2 1 331.504 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCCC=C)C1 ZINC001752508061 1181916028 /nfs/dbraw/zinc/91/60/28/1181916028.db2.gz LPOPZCGKJZHLGU-MOPGFXCFSA-N 2 1 331.504 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCCC=C)C1 ZINC001752508061 1181916033 /nfs/dbraw/zinc/91/60/33/1181916033.db2.gz LPOPZCGKJZHLGU-MOPGFXCFSA-N 2 1 331.504 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCCC=C)C1 ZINC001752508061 1181916038 /nfs/dbraw/zinc/91/60/38/1181916038.db2.gz LPOPZCGKJZHLGU-MOPGFXCFSA-N 2 1 331.504 2.221 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001482468265 1185971072 /nfs/dbraw/zinc/97/10/72/1185971072.db2.gz ABVJDLNZFCTRRA-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563522 1188179961 /nfs/dbraw/zinc/17/99/61/1188179961.db2.gz ONLNFQGEUGGWPC-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1ccc(F)c(C#N)c1 ZINC001409565105 1190041760 /nfs/dbraw/zinc/04/17/60/1190041760.db2.gz LMJCWIOHMASFFM-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001409565105 1190041765 /nfs/dbraw/zinc/04/17/65/1190041765.db2.gz LMJCWIOHMASFFM-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001409565105 1190041768 /nfs/dbraw/zinc/04/17/68/1190041768.db2.gz LMJCWIOHMASFFM-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCn2ncc(CNC(=O)C[N@@H+](C)C(C)C)c2C1 ZINC001128593802 1194454226 /nfs/dbraw/zinc/45/42/26/1194454226.db2.gz LTRVMLJMNVOWQD-INIZCTEOSA-N 2 1 347.507 2.010 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCn2ncc(CNC(=O)C[N@H+](C)C(C)C)c2C1 ZINC001128593802 1194454229 /nfs/dbraw/zinc/45/42/29/1194454229.db2.gz LTRVMLJMNVOWQD-INIZCTEOSA-N 2 1 347.507 2.010 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCn2ncc(CNC(=O)C[NH+](C)C(C)C)c2C1 ZINC001128593802 1194454231 /nfs/dbraw/zinc/45/42/31/1194454231.db2.gz LTRVMLJMNVOWQD-INIZCTEOSA-N 2 1 347.507 2.010 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCn2ncc(CNC(=O)C[NH+](C)C(C)C)c2C1 ZINC001128593802 1194454233 /nfs/dbraw/zinc/45/42/33/1194454233.db2.gz LTRVMLJMNVOWQD-INIZCTEOSA-N 2 1 347.507 2.010 20 30 EEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034399313 1196190180 /nfs/dbraw/zinc/19/01/80/1196190180.db2.gz SHWXGZXWXXHBRM-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034399313 1196190182 /nfs/dbraw/zinc/19/01/82/1196190182.db2.gz SHWXGZXWXXHBRM-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034399313 1196190184 /nfs/dbraw/zinc/19/01/84/1196190184.db2.gz SHWXGZXWXXHBRM-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545800 1196374852 /nfs/dbraw/zinc/37/48/52/1196374852.db2.gz XXAMONPVSLAQGA-INIZCTEOSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545800 1196374855 /nfs/dbraw/zinc/37/48/55/1196374855.db2.gz XXAMONPVSLAQGA-INIZCTEOSA-N 2 1 331.460 2.339 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086717253 1199307928 /nfs/dbraw/zinc/30/79/28/1199307928.db2.gz OEWUAXKRDZWNNG-ZNMIVQPWSA-N 2 1 336.867 2.388 20 30 EEEDMP N#CCCCN1CC[C@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274109456 1204377116 /nfs/dbraw/zinc/37/71/16/1204377116.db2.gz DMNSOZDPGWJBFB-IBGZPJMESA-N 2 1 337.427 2.062 20 30 EEEDMP N#CCCCN1CC[C@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274109456 1204377118 /nfs/dbraw/zinc/37/71/18/1204377118.db2.gz DMNSOZDPGWJBFB-IBGZPJMESA-N 2 1 337.427 2.062 20 30 EEEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])N2CCCCC2)CC1 ZINC000104166075 1204611613 /nfs/dbraw/zinc/61/16/13/1204611613.db2.gz RFSJKDNUBHBTAS-UHFFFAOYSA-N 2 1 343.519 2.125 20 30 EEEDMP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3cccc(C#N)n3)(C1)CCC2 ZINC001275605216 1205440381 /nfs/dbraw/zinc/44/03/81/1205440381.db2.gz GNDFFESOEUXOMF-RBUKOAKNSA-N 2 1 327.476 2.039 20 30 EEEDMP N#Cc1cccc(CN2CCC([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)c1 ZINC000925701856 1206145023 /nfs/dbraw/zinc/14/50/23/1206145023.db2.gz HDCKWXFAKHTYLU-UGKANONSSA-N 2 1 336.483 2.109 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947536009 1208610560 /nfs/dbraw/zinc/61/05/60/1208610560.db2.gz BZPXCAQWULTTSB-JKSUJKDBSA-N 2 1 339.443 2.426 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947536941 1208610860 /nfs/dbraw/zinc/61/08/60/1208610860.db2.gz KDHQTBPKHIQEFT-HUUCEWRRSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947536933 1208611097 /nfs/dbraw/zinc/61/10/97/1208611097.db2.gz KDHQTBPKHIQEFT-CABCVRRESA-N 2 1 325.416 2.036 20 30 EEEDMP C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC000951551590 1210878896 /nfs/dbraw/zinc/87/88/96/1210878896.db2.gz ZAVPKXOFSUZTBM-INIZCTEOSA-N 2 1 330.476 2.253 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC(F)F ZINC000303770293 1213903573 /nfs/dbraw/zinc/90/35/73/1213903573.db2.gz BVJLSJCWJIWZBZ-ZDUSSCGKSA-N 2 1 326.391 2.177 20 30 EEEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])NCC3CCC3)CC2)oc1C ZINC000304741954 1216102504 /nfs/dbraw/zinc/10/25/04/1216102504.db2.gz CJUHPZUZBIFEFK-UHFFFAOYSA-N 2 1 333.480 2.208 20 30 EEEDMP C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000960274623 1216465219 /nfs/dbraw/zinc/46/52/19/1216465219.db2.gz AGLNSBQOIGTVJS-HSALFYBXSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000960274623 1216465222 /nfs/dbraw/zinc/46/52/22/1216465222.db2.gz AGLNSBQOIGTVJS-HSALFYBXSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000960274623 1216465225 /nfs/dbraw/zinc/46/52/25/1216465225.db2.gz AGLNSBQOIGTVJS-HSALFYBXSA-N 2 1 339.483 2.112 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961266360 1217118082 /nfs/dbraw/zinc/11/80/82/1217118082.db2.gz XFBIBWNGUODSJE-OALUTQOASA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CC[N@H+](CC=C)C3)C2)CC1 ZINC000961292504 1217131586 /nfs/dbraw/zinc/13/15/86/1217131586.db2.gz JPPTZJGLMGNSDA-PMACEKPBSA-N 2 1 343.515 2.078 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328373 1217523923 /nfs/dbraw/zinc/52/39/23/1217523923.db2.gz OFLMBJSYNKITAT-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001114903623 1220478889 /nfs/dbraw/zinc/47/88/89/1220478889.db2.gz GVWHNQRNKYXXDO-LISAXSMJSA-N 2 1 330.476 2.408 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001114903623 1220478890 /nfs/dbraw/zinc/47/88/90/1220478890.db2.gz GVWHNQRNKYXXDO-LISAXSMJSA-N 2 1 330.476 2.408 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC=C(C)C)CC[C@@H]2C)CC1 ZINC000968680614 1221487036 /nfs/dbraw/zinc/48/70/36/1221487036.db2.gz BWYSTPNSLSSOQI-HKUYNNGSSA-N 2 1 331.504 2.124 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016702183 1226797366 /nfs/dbraw/zinc/79/73/66/1226797366.db2.gz LUOIMMKNCQZSGW-QZTJIDSGSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039131505 1230340413 /nfs/dbraw/zinc/34/04/13/1230340413.db2.gz NXZZYWZOYALSER-RBUKOAKNSA-N 2 1 331.504 2.075 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039165937 1230388626 /nfs/dbraw/zinc/38/86/26/1230388626.db2.gz VACZFQSGNFSYPL-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039165937 1230388630 /nfs/dbraw/zinc/38/86/30/1230388630.db2.gz VACZFQSGNFSYPL-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039165937 1230388634 /nfs/dbraw/zinc/38/86/34/1230388634.db2.gz VACZFQSGNFSYPL-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001039298307 1230515045 /nfs/dbraw/zinc/51/50/45/1230515045.db2.gz UWECDCJCYKRAOU-KVMCETHSSA-N 2 1 349.494 2.334 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039448026 1230615724 /nfs/dbraw/zinc/61/57/24/1230615724.db2.gz RQCHUUSXDFWUTM-OTWHNJEPSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039448026 1230615728 /nfs/dbraw/zinc/61/57/28/1230615728.db2.gz RQCHUUSXDFWUTM-OTWHNJEPSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001040243987 1231129143 /nfs/dbraw/zinc/12/91/43/1231129143.db2.gz DJJQZLLAXHOINU-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001040243987 1231129144 /nfs/dbraw/zinc/12/91/44/1231129144.db2.gz DJJQZLLAXHOINU-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001040243987 1231129147 /nfs/dbraw/zinc/12/91/47/1231129147.db2.gz DJJQZLLAXHOINU-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001040243987 1231129150 /nfs/dbraw/zinc/12/91/50/1231129150.db2.gz DJJQZLLAXHOINU-ICSRJNTNSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329220 1231172859 /nfs/dbraw/zinc/17/28/59/1231172859.db2.gz SJNUFNFWCRUNLC-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001041406580 1231533378 /nfs/dbraw/zinc/53/33/78/1231533378.db2.gz CFEGEUJBURRVPC-DOTOQJQBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041406580 1231533380 /nfs/dbraw/zinc/53/33/80/1231533380.db2.gz CFEGEUJBURRVPC-DOTOQJQBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041406580 1231533382 /nfs/dbraw/zinc/53/33/82/1231533382.db2.gz CFEGEUJBURRVPC-DOTOQJQBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041406580 1231533385 /nfs/dbraw/zinc/53/33/85/1231533385.db2.gz CFEGEUJBURRVPC-DOTOQJQBSA-N 2 1 325.884 2.148 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268374 1231993901 /nfs/dbraw/zinc/99/39/01/1231993901.db2.gz CJNIBOBMRRKAEX-ICSRJNTNSA-N 2 1 339.483 2.308 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001045092845 1233497489 /nfs/dbraw/zinc/49/74/89/1233497489.db2.gz GUNUMWNQJYDBET-WMLDXEAASA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961138 1234236229 /nfs/dbraw/zinc/23/62/29/1234236229.db2.gz HMNXQRAIONJSCZ-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001045961138 1234236231 /nfs/dbraw/zinc/23/62/31/1234236231.db2.gz HMNXQRAIONJSCZ-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001045961138 1234236233 /nfs/dbraw/zinc/23/62/33/1234236233.db2.gz HMNXQRAIONJSCZ-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979841 1234269463 /nfs/dbraw/zinc/26/94/63/1234269463.db2.gz KJLQOEKCSHRELB-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045979841 1234269466 /nfs/dbraw/zinc/26/94/66/1234269466.db2.gz KJLQOEKCSHRELB-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045979841 1234269468 /nfs/dbraw/zinc/26/94/68/1234269468.db2.gz KJLQOEKCSHRELB-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@]3(CC[N@H+](CCC)C3)C2)CC1 ZINC001045986397 1234281979 /nfs/dbraw/zinc/28/19/79/1234281979.db2.gz POACWELZMMXMMM-NRFANRHFSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=C)Cl)C3)CC1 ZINC001047209201 1235672828 /nfs/dbraw/zinc/67/28/28/1235672828.db2.gz RHLOQZCJQHSDLP-SZMVWBNQSA-N 2 1 349.906 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](CCF)CC2)C1 ZINC001047245094 1235737181 /nfs/dbraw/zinc/73/71/81/1235737181.db2.gz WSPOAYVYAPBSLH-OALUTQOASA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](C)F ZINC001048533238 1237897615 /nfs/dbraw/zinc/89/76/15/1237897615.db2.gz VFCZKTZIVDXHAM-FQBWVUSXSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)F ZINC001048533238 1237897624 /nfs/dbraw/zinc/89/76/24/1237897624.db2.gz VFCZKTZIVDXHAM-FQBWVUSXSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H](C)F ZINC001048533238 1237897633 /nfs/dbraw/zinc/89/76/33/1237897633.db2.gz VFCZKTZIVDXHAM-FQBWVUSXSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H](C)F ZINC001048533238 1237897636 /nfs/dbraw/zinc/89/76/36/1237897636.db2.gz VFCZKTZIVDXHAM-FQBWVUSXSA-N 2 1 349.494 2.191 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048819536 1238736605 /nfs/dbraw/zinc/73/66/05/1238736605.db2.gz UUKIFVOXUUOMFI-NXOAAHMSSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048819536 1238736617 /nfs/dbraw/zinc/73/66/17/1238736617.db2.gz UUKIFVOXUUOMFI-NXOAAHMSSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048819536 1238736630 /nfs/dbraw/zinc/73/66/30/1238736630.db2.gz UUKIFVOXUUOMFI-NXOAAHMSSA-N 2 1 337.895 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048960366 1239580830 /nfs/dbraw/zinc/58/08/30/1239580830.db2.gz YRCCANDYNRLMCU-IXDOHACOSA-N 2 1 337.895 2.004 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477928 1241074135 /nfs/dbraw/zinc/07/41/35/1241074135.db2.gz KLVLWUAEKJYOFO-ROUUACIJSA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001000862541 1241075247 /nfs/dbraw/zinc/07/52/47/1241075247.db2.gz PKRDKWWBZPLRIK-KRWDZBQOSA-N 2 1 328.460 2.160 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC2CCC2)CC1 ZINC001049909422 1242657030 /nfs/dbraw/zinc/65/70/30/1242657030.db2.gz AXGQHWLZONKQLV-WOJBJXKFSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001050128085 1242936941 /nfs/dbraw/zinc/93/69/41/1242936941.db2.gz SZWZZJWXCCWEHP-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001050128085 1242936943 /nfs/dbraw/zinc/93/69/43/1242936943.db2.gz SZWZZJWXCCWEHP-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2CCC2)CC1 ZINC001052987126 1245615630 /nfs/dbraw/zinc/61/56/30/1245615630.db2.gz DZYZXXFEOAQCAB-LZQZEXGQSA-N 2 1 344.503 2.086 20 30 EEEDMP C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC2CCC2)CC1 ZINC001052987126 1245615636 /nfs/dbraw/zinc/61/56/36/1245615636.db2.gz DZYZXXFEOAQCAB-LZQZEXGQSA-N 2 1 344.503 2.086 20 30 EEEDMP C=C(C)CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001054060436 1247271779 /nfs/dbraw/zinc/27/17/79/1247271779.db2.gz MSVJSUFMTOWUDC-VQTJNVASSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054060436 1247271787 /nfs/dbraw/zinc/27/17/87/1247271787.db2.gz MSVJSUFMTOWUDC-VQTJNVASSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054060436 1247271797 /nfs/dbraw/zinc/27/17/97/1247271797.db2.gz MSVJSUFMTOWUDC-VQTJNVASSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145088 1247516024 /nfs/dbraw/zinc/51/60/24/1247516024.db2.gz JXZXCABODDDIER-SJLPKXTDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171302 1247598144 /nfs/dbraw/zinc/59/81/44/1247598144.db2.gz OCPLRKISYYYFHZ-ICSRJNTNSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@@H]1C ZINC001071828414 1254689817 /nfs/dbraw/zinc/68/98/17/1254689817.db2.gz OCNCNWZSAYJJSA-JKSUJKDBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@@H]1C ZINC001071828414 1254689828 /nfs/dbraw/zinc/68/98/28/1254689828.db2.gz OCNCNWZSAYJJSA-JKSUJKDBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001098993693 1257921595 /nfs/dbraw/zinc/92/15/95/1257921595.db2.gz LJHQZCTVAHZCNQ-BJLQDIEVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001098993693 1257921599 /nfs/dbraw/zinc/92/15/99/1257921599.db2.gz LJHQZCTVAHZCNQ-BJLQDIEVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001098993693 1257921600 /nfs/dbraw/zinc/92/16/00/1257921600.db2.gz LJHQZCTVAHZCNQ-BJLQDIEVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001098993693 1257921605 /nfs/dbraw/zinc/92/16/05/1257921605.db2.gz LJHQZCTVAHZCNQ-BJLQDIEVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001099556032 1258205939 /nfs/dbraw/zinc/20/59/39/1258205939.db2.gz FCTMUSRIGUSOBX-VJANTYMQSA-N 2 1 333.520 2.462 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099556032 1258205943 /nfs/dbraw/zinc/20/59/43/1258205943.db2.gz FCTMUSRIGUSOBX-VJANTYMQSA-N 2 1 333.520 2.462 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099556032 1258205946 /nfs/dbraw/zinc/20/59/46/1258205946.db2.gz FCTMUSRIGUSOBX-VJANTYMQSA-N 2 1 333.520 2.462 20 30 EEEDMP C=C(Br)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001026464879 1276815914 /nfs/dbraw/zinc/81/59/14/1276815914.db2.gz ZUZFWYQUKRZVCT-JXQTWKCFSA-N 2 1 344.297 2.006 20 30 EEEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198983994 1285460770 /nfs/dbraw/zinc/46/07/70/1285460770.db2.gz LLBNOFLRQJCLMX-WMZOPIPTSA-N 2 1 345.487 2.360 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734793 1296074225 /nfs/dbraw/zinc/07/42/25/1296074225.db2.gz QDJIXLBYNXCABA-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072734793 1296074232 /nfs/dbraw/zinc/07/42/32/1296074232.db2.gz QDJIXLBYNXCABA-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734793 1296074240 /nfs/dbraw/zinc/07/42/40/1296074240.db2.gz QDJIXLBYNXCABA-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213575990 1296094055 /nfs/dbraw/zinc/09/40/55/1296094055.db2.gz DHBRIRBHUZKBCW-KBAYOESNSA-N 2 1 348.491 2.142 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213575990 1296094064 /nfs/dbraw/zinc/09/40/64/1296094064.db2.gz DHBRIRBHUZKBCW-KBAYOESNSA-N 2 1 348.491 2.142 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213588439 1296097831 /nfs/dbraw/zinc/09/78/31/1296097831.db2.gz HDXNBBWCCRYFSX-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588439 1296097845 /nfs/dbraw/zinc/09/78/45/1296097845.db2.gz HDXNBBWCCRYFSX-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588439 1296097861 /nfs/dbraw/zinc/09/78/61/1296097861.db2.gz HDXNBBWCCRYFSX-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213721377 1296147171 /nfs/dbraw/zinc/14/71/71/1296147171.db2.gz MNTVNEXFYDQFJZ-KZNAEPCWSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213721377 1296147173 /nfs/dbraw/zinc/14/71/73/1296147173.db2.gz MNTVNEXFYDQFJZ-KZNAEPCWSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213721377 1296147178 /nfs/dbraw/zinc/14/71/78/1296147178.db2.gz MNTVNEXFYDQFJZ-KZNAEPCWSA-N 2 1 339.524 2.114 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801667 1297544161 /nfs/dbraw/zinc/54/41/61/1297544161.db2.gz RFDRVMSXEHVRAW-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801667 1297544169 /nfs/dbraw/zinc/54/41/69/1297544169.db2.gz RFDRVMSXEHVRAW-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801667 1297544176 /nfs/dbraw/zinc/54/41/76/1297544176.db2.gz RFDRVMSXEHVRAW-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C)C(C)C ZINC001220600226 1298469759 /nfs/dbraw/zinc/46/97/59/1298469759.db2.gz FLUWJHHKGBGMQU-MSOLQXFVSA-N 2 1 336.524 2.469 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C(F)(F)F ZINC001099345745 1299064361 /nfs/dbraw/zinc/06/43/61/1299064361.db2.gz RNKRKBKGFBIHKO-KFWWJZLASA-N 2 1 347.425 2.416 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001224558083 1300646894 /nfs/dbraw/zinc/64/68/94/1300646894.db2.gz ABEKWAURACYERJ-LJQANCHMSA-N 2 1 337.483 2.050 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001102524892 1301184065 /nfs/dbraw/zinc/18/40/65/1301184065.db2.gz CCPLZBSSURECNT-UYAOXDASSA-N 2 1 341.499 2.064 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001102524892 1301184070 /nfs/dbraw/zinc/18/40/70/1301184070.db2.gz CCPLZBSSURECNT-UYAOXDASSA-N 2 1 341.499 2.064 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001102524892 1301184074 /nfs/dbraw/zinc/18/40/74/1301184074.db2.gz CCPLZBSSURECNT-UYAOXDASSA-N 2 1 341.499 2.064 20 30 EEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954271 1302024376 /nfs/dbraw/zinc/02/43/76/1302024376.db2.gz QXEJSLLEBNAWQS-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954271 1302024383 /nfs/dbraw/zinc/02/43/83/1302024383.db2.gz QXEJSLLEBNAWQS-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994128 1302039393 /nfs/dbraw/zinc/03/93/93/1302039393.db2.gz RNYAHFQYFJPFNZ-XYPHTWIQSA-N 2 1 339.911 2.155 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001103269857 1302621062 /nfs/dbraw/zinc/62/10/62/1302621062.db2.gz SBYWTNZBBCYPCW-QZTJIDSGSA-N 2 1 333.520 2.206 20 30 EEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001231622760 1303868504 /nfs/dbraw/zinc/86/85/04/1303868504.db2.gz HKTUXFQEQJRWBX-VQTJNVASSA-N 2 1 329.488 2.462 20 30 EEEDMP C#Cc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001231654989 1303881430 /nfs/dbraw/zinc/88/14/30/1303881430.db2.gz IZYRFXXKLUPKAE-RTWAWAEBSA-N 2 1 334.467 2.355 20 30 EEEDMP C#Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001231654989 1303881437 /nfs/dbraw/zinc/88/14/37/1303881437.db2.gz IZYRFXXKLUPKAE-RTWAWAEBSA-N 2 1 334.467 2.355 20 30 EEEDMP C#Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001231654989 1303881443 /nfs/dbraw/zinc/88/14/43/1303881443.db2.gz IZYRFXXKLUPKAE-RTWAWAEBSA-N 2 1 334.467 2.355 20 30 EEEDMP C#Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001231654989 1303881448 /nfs/dbraw/zinc/88/14/48/1303881448.db2.gz IZYRFXXKLUPKAE-RTWAWAEBSA-N 2 1 334.467 2.355 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc3cc[nH]c3cn2)CC1 ZINC001231673912 1303890664 /nfs/dbraw/zinc/89/06/64/1303890664.db2.gz VXZOIMKYBGJSOG-UHFFFAOYSA-N 2 1 339.487 2.355 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCC(=O)OCCCC ZINC001246305440 1310277068 /nfs/dbraw/zinc/27/70/68/1310277068.db2.gz RTOPBPNCLWIGAR-HOTGVXAUSA-N 2 1 342.480 2.315 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149983025 1316116093 /nfs/dbraw/zinc/11/60/93/1316116093.db2.gz OJBQDZWTJCBIBQ-GOSISDBHSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149983025 1316116097 /nfs/dbraw/zinc/11/60/97/1316116097.db2.gz OJBQDZWTJCBIBQ-GOSISDBHSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001150780108 1316372017 /nfs/dbraw/zinc/37/20/17/1316372017.db2.gz ZEZPMSWZGFEYTJ-OALUTQOASA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001150780108 1316372024 /nfs/dbraw/zinc/37/20/24/1316372024.db2.gz ZEZPMSWZGFEYTJ-OALUTQOASA-N 2 1 345.487 2.073 20 30 EEEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001152557212 1316688770 /nfs/dbraw/zinc/68/87/70/1316688770.db2.gz VNROHTQAWBSJEW-IAGOWNOFSA-N 2 1 327.513 2.114 20 30 EEEDMP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152557212 1316688773 /nfs/dbraw/zinc/68/87/73/1316688773.db2.gz VNROHTQAWBSJEW-IAGOWNOFSA-N 2 1 327.513 2.114 20 30 EEEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152557212 1316688775 /nfs/dbraw/zinc/68/87/75/1316688775.db2.gz VNROHTQAWBSJEW-IAGOWNOFSA-N 2 1 327.513 2.114 20 30 EEEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152557212 1316688776 /nfs/dbraw/zinc/68/87/76/1316688776.db2.gz VNROHTQAWBSJEW-IAGOWNOFSA-N 2 1 327.513 2.114 20 30 EEEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152557212 1316688778 /nfs/dbraw/zinc/68/87/78/1316688778.db2.gz VNROHTQAWBSJEW-IAGOWNOFSA-N 2 1 327.513 2.114 20 30 EEEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252469009 1317609578 /nfs/dbraw/zinc/60/95/78/1317609578.db2.gz SZXPRCBMQYTRTN-WOJBJXKFSA-N 2 1 330.472 2.148 20 30 EEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156341206 1317970707 /nfs/dbraw/zinc/97/07/07/1317970707.db2.gz AMHNQVXGEUFJBF-XLIONFOSSA-N 2 1 329.488 2.313 20 30 EEEDMP C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001258909849 1319371558 /nfs/dbraw/zinc/37/15/58/1319371558.db2.gz JSMWWZQJFWGSBL-WMZOPIPTSA-N 2 1 349.523 2.427 20 30 EEEDMP C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001258909849 1319371570 /nfs/dbraw/zinc/37/15/70/1319371570.db2.gz JSMWWZQJFWGSBL-WMZOPIPTSA-N 2 1 349.523 2.427 20 30 EEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ncc3c(c1C#N)CCC[NH2+]C3)C2 ZINC001160466059 1320169351 /nfs/dbraw/zinc/16/93/51/1320169351.db2.gz PLPAUAMSPUNJTH-PHZGNYQRSA-N 2 1 325.460 2.416 20 30 EEEDMP C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160950129 1320328820 /nfs/dbraw/zinc/32/88/20/1320328820.db2.gz BJHRODNVHYBUIS-BEFAXECRSA-N 2 1 336.439 2.324 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383429 1320482166 /nfs/dbraw/zinc/48/21/66/1320482166.db2.gz XNUDKUIOMMJUBO-SFHVURJKSA-N 2 1 331.504 2.413 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](C/C=C/Cl)CC2)CC1 ZINC001161947104 1320689730 /nfs/dbraw/zinc/68/97/30/1320689730.db2.gz YDTXSKAGOYPHRT-YCRREMRBSA-N 2 1 349.906 2.223 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001162928088 1320989799 /nfs/dbraw/zinc/98/97/99/1320989799.db2.gz FAXKRXMKZXWJET-HKUYNNGSSA-N 2 1 329.488 2.031 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC001164574220 1321421927 /nfs/dbraw/zinc/42/19/27/1321421927.db2.gz BTYDAZUWPLWLIW-WMZOPIPTSA-N 2 1 345.462 2.003 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001165569296 1321546771 /nfs/dbraw/zinc/54/67/71/1321546771.db2.gz VSCRVKZFNUIUKU-OAHLLOKOSA-N 2 1 327.900 2.489 20 30 EEEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165736160 1321574660 /nfs/dbraw/zinc/57/46/60/1321574660.db2.gz IGJCUCSOLQBFKY-QZTJIDSGSA-N 2 1 349.519 2.082 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203469829 1321889205 /nfs/dbraw/zinc/88/92/05/1321889205.db2.gz ZDOHKMACTZPFBA-DLBZAZTESA-N 2 1 342.487 2.437 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203633516 1321928795 /nfs/dbraw/zinc/92/87/95/1321928795.db2.gz YDRLUOUBNMRAOO-HUUCEWRRSA-N 2 1 327.900 2.488 20 30 EEEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203919006 1321989337 /nfs/dbraw/zinc/98/93/37/1321989337.db2.gz GRXWWUDPKAUKDL-LJQANCHMSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001207538710 1324011975 /nfs/dbraw/zinc/01/19/75/1324011975.db2.gz UTJOLCAEVMBFHE-QRQLOZEOSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001207538710 1324011980 /nfs/dbraw/zinc/01/19/80/1324011980.db2.gz UTJOLCAEVMBFHE-QRQLOZEOSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001207538710 1324011984 /nfs/dbraw/zinc/01/19/84/1324011984.db2.gz UTJOLCAEVMBFHE-QRQLOZEOSA-N 2 1 349.519 2.033 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001209631609 1324994474 /nfs/dbraw/zinc/99/44/74/1324994474.db2.gz FSPBPEGMDHTBFA-ICSRJNTNSA-N 2 1 339.483 2.103 20 30 EEEDMP CC[C@H](C(=O)NCC[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001567314320 1342738597 /nfs/dbraw/zinc/73/85/97/1342738597.db2.gz WLAZEHFPZNVUHS-QGZVFWFLSA-N 2 1 335.879 2.080 20 30 EEEDMP CC[C@H](C(=O)NCC[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001567314320 1342738602 /nfs/dbraw/zinc/73/86/02/1342738602.db2.gz WLAZEHFPZNVUHS-QGZVFWFLSA-N 2 1 335.879 2.080 20 30 EEEDMP N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CC[NH3+])C2)sc2c1CCC2 ZINC001580056370 1344460562 /nfs/dbraw/zinc/46/05/62/1344460562.db2.gz BDIRVWSJGZLBHS-GFCCVEGCSA-N 2 1 332.473 2.108 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001134759243 1367777845 /nfs/dbraw/zinc/77/78/45/1367777845.db2.gz JMPWFHVZVLDSAO-SFHVURJKSA-N 2 1 328.460 2.027 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001112410527 1371433881 /nfs/dbraw/zinc/43/38/81/1371433881.db2.gz CFAVTBMHZBDFAZ-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001368432321 1374397179 /nfs/dbraw/zinc/39/71/79/1374397179.db2.gz KZNGCSSAAVNALO-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001368432321 1374397184 /nfs/dbraw/zinc/39/71/84/1374397184.db2.gz KZNGCSSAAVNALO-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001368432321 1374397188 /nfs/dbraw/zinc/39/71/88/1374397188.db2.gz KZNGCSSAAVNALO-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001368432321 1374397192 /nfs/dbraw/zinc/39/71/92/1374397192.db2.gz KZNGCSSAAVNALO-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001377611288 1379383160 /nfs/dbraw/zinc/38/31/60/1379383160.db2.gz ZTMZHUVRPKJUMH-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001391768962 1389585282 /nfs/dbraw/zinc/58/52/82/1389585282.db2.gz JSOUPSQOYBYVIF-UHFFFAOYSA-N 2 1 342.487 2.419 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001392587748 1390105266 /nfs/dbraw/zinc/10/52/66/1390105266.db2.gz DQJUTQHGASGIQB-HNNXBMFYSA-N 2 1 339.443 2.173 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C#N)cc1 ZINC001393881500 1390574245 /nfs/dbraw/zinc/57/42/45/1390574245.db2.gz GMOPIDWUSPLHTP-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001393881500 1390574250 /nfs/dbraw/zinc/57/42/50/1390574250.db2.gz GMOPIDWUSPLHTP-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001393881500 1390574252 /nfs/dbraw/zinc/57/42/52/1390574252.db2.gz GMOPIDWUSPLHTP-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1ccc(C#N)s1 ZINC001394069073 1390602242 /nfs/dbraw/zinc/60/22/42/1390602242.db2.gz BFNCROFZFZGNJP-ZDUSSCGKSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1ccc(C#N)s1 ZINC001394069073 1390602246 /nfs/dbraw/zinc/60/22/46/1390602246.db2.gz BFNCROFZFZGNJP-ZDUSSCGKSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001394069073 1390602248 /nfs/dbraw/zinc/60/22/48/1390602248.db2.gz BFNCROFZFZGNJP-ZDUSSCGKSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001394069073 1390602251 /nfs/dbraw/zinc/60/22/51/1390602251.db2.gz BFNCROFZFZGNJP-ZDUSSCGKSA-N 2 1 334.489 2.041 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001394122967 1390623118 /nfs/dbraw/zinc/62/31/18/1390623118.db2.gz GOZNPFRTOYLJLF-MAUKXSAKSA-N 2 1 330.476 2.081 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001753723192 1406766061 /nfs/dbraw/zinc/76/60/61/1406766061.db2.gz GYKXRRCZQFHAHB-MRXNPFEDSA-N 2 1 349.906 2.470 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1ccc(C#N)s1 ZINC001399806566 1395539123 /nfs/dbraw/zinc/53/91/23/1395539123.db2.gz GTQZABPMCWEILN-MRXNPFEDSA-N 2 1 336.505 2.144 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1ccc(C#N)s1 ZINC001399806566 1395539132 /nfs/dbraw/zinc/53/91/32/1395539132.db2.gz GTQZABPMCWEILN-MRXNPFEDSA-N 2 1 336.505 2.144 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1cccc(C#N)c1 ZINC001402936629 1398289943 /nfs/dbraw/zinc/28/99/43/1398289943.db2.gz ZUNQMOIZAYZYBH-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001402936629 1398289947 /nfs/dbraw/zinc/28/99/47/1398289947.db2.gz ZUNQMOIZAYZYBH-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001402936629 1398289952 /nfs/dbraw/zinc/28/99/52/1398289952.db2.gz ZUNQMOIZAYZYBH-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC001423317402 1400516729 /nfs/dbraw/zinc/51/67/29/1400516729.db2.gz FEMHGRNVFMCMDU-CZUORRHYSA-N 2 1 334.489 2.041 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001423581002 1400652233 /nfs/dbraw/zinc/65/22/33/1400652233.db2.gz XSPYTZMCPCNUJZ-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001423581002 1400652238 /nfs/dbraw/zinc/65/22/38/1400652238.db2.gz XSPYTZMCPCNUJZ-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001755172184 1407184465 /nfs/dbraw/zinc/18/44/65/1407184465.db2.gz LPQUJGKLKHETNZ-IBGZPJMESA-N 2 1 327.472 2.067 20 30 EEEDMP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001755172184 1407184472 /nfs/dbraw/zinc/18/44/72/1407184472.db2.gz LPQUJGKLKHETNZ-IBGZPJMESA-N 2 1 327.472 2.067 20 30 EEEDMP C#CC[C@]1(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC001574518131 1403521879 /nfs/dbraw/zinc/52/18/79/1403521879.db2.gz VLPPVQJVIFAXDZ-OAQYLSRUSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[C@]1(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC001574518131 1403521883 /nfs/dbraw/zinc/52/18/83/1403521883.db2.gz VLPPVQJVIFAXDZ-OAQYLSRUSA-N 2 1 339.483 2.255 20 30 EEEDMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001731374698 1405851009 /nfs/dbraw/zinc/85/10/09/1405851009.db2.gz YXDUGDCUUIACEI-VQTJNVASSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001731374698 1405851019 /nfs/dbraw/zinc/85/10/19/1405851019.db2.gz YXDUGDCUUIACEI-VQTJNVASSA-N 2 1 341.499 2.349 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454085 760708828 /nfs/dbraw/zinc/70/88/28/760708828.db2.gz KTWKWOTZRZMSLM-FXAWDEMLSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001112514947 760805143 /nfs/dbraw/zinc/80/51/43/760805143.db2.gz PHDUTFKWGOQCSY-DYXWJJEUSA-N 2 1 345.531 2.350 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461986 760943919 /nfs/dbraw/zinc/94/39/19/760943919.db2.gz YEQOFHOIFWDFRX-IBGZPJMESA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001087310600 761583078 /nfs/dbraw/zinc/58/30/78/761583078.db2.gz ZQNAWRUSBVXFOG-YZGWKJHDSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104754004 765206630 /nfs/dbraw/zinc/20/66/30/765206630.db2.gz YSFKKKHHTZUKCS-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)C[C@@H](C)O2 ZINC001098611032 765526069 /nfs/dbraw/zinc/52/60/69/765526069.db2.gz VAIAYPLQDYHRBC-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942521333 782613302 /nfs/dbraw/zinc/61/33/02/782613302.db2.gz TZLCQFUCTWZLEY-HZPDHXFCSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942521333 782613308 /nfs/dbraw/zinc/61/33/08/782613308.db2.gz TZLCQFUCTWZLEY-HZPDHXFCSA-N 2 1 330.476 2.165 20 30 EEEDMP C[NH+]=C(NCCc1ccco1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000154636637 768886092 /nfs/dbraw/zinc/88/60/92/768886092.db2.gz WDVIACXPNZVXFB-CRAIPNDOSA-N 2 1 330.476 2.346 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089868546 782931853 /nfs/dbraw/zinc/93/18/53/782931853.db2.gz DCCHGZCDANIEIJ-YRPNKDGESA-N 2 1 345.531 2.463 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000980004970 773701080 /nfs/dbraw/zinc/70/10/80/773701080.db2.gz WQKKDGAQBLMQAG-RCCFBDPRSA-N 2 1 331.504 2.265 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089652712 773850884 /nfs/dbraw/zinc/85/08/84/773850884.db2.gz KNXQZTWRHGLEPI-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnc4c3CCCC4)C[C@H]2C1 ZINC000980167278 773994667 /nfs/dbraw/zinc/99/46/67/773994667.db2.gz QMLRWKIGFKKJJN-YESZJQIVSA-N 2 1 342.487 2.165 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]2C1 ZINC000980167278 773994672 /nfs/dbraw/zinc/99/46/72/773994672.db2.gz QMLRWKIGFKKJJN-YESZJQIVSA-N 2 1 342.487 2.165 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]2C1 ZINC000980167278 773994675 /nfs/dbraw/zinc/99/46/75/773994675.db2.gz QMLRWKIGFKKJJN-YESZJQIVSA-N 2 1 342.487 2.165 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779654 783196016 /nfs/dbraw/zinc/19/60/16/783196016.db2.gz SFXFERCQZMHVJX-SIXLDLHFSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779654 783196020 /nfs/dbraw/zinc/19/60/20/783196020.db2.gz SFXFERCQZMHVJX-SIXLDLHFSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779654 783196024 /nfs/dbraw/zinc/19/60/24/783196024.db2.gz SFXFERCQZMHVJX-SIXLDLHFSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089819018 776777150 /nfs/dbraw/zinc/77/71/50/776777150.db2.gz DKISGFVIKRKAMX-NQYYFHDYSA-N 2 1 331.504 2.216 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089819018 776777156 /nfs/dbraw/zinc/77/71/56/776777156.db2.gz DKISGFVIKRKAMX-NQYYFHDYSA-N 2 1 331.504 2.216 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089819018 776777158 /nfs/dbraw/zinc/77/71/58/776777158.db2.gz DKISGFVIKRKAMX-NQYYFHDYSA-N 2 1 331.504 2.216 20 30 EEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997653756 790550800 /nfs/dbraw/zinc/55/08/00/790550800.db2.gz RAXPHCTZAMYJSP-PKOBYXMFSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3ccnc3CC)C2)C1 ZINC000981781224 778201313 /nfs/dbraw/zinc/20/13/13/778201313.db2.gz WYVIECDDZZQVIU-KRWDZBQOSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981781224 778201317 /nfs/dbraw/zinc/20/13/17/778201317.db2.gz WYVIECDDZZQVIU-KRWDZBQOSA-N 2 1 342.487 2.344 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138912 778356135 /nfs/dbraw/zinc/35/61/35/778356135.db2.gz ZEOYAKDTALRXIY-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138912 778356138 /nfs/dbraw/zinc/35/61/38/778356138.db2.gz ZEOYAKDTALRXIY-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001127679129 778670786 /nfs/dbraw/zinc/67/07/86/778670786.db2.gz IMDJWGLVWUCUOE-HNNXBMFYSA-N 2 1 339.443 2.174 20 30 EEEDMP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135584353 784015070 /nfs/dbraw/zinc/01/50/70/784015070.db2.gz MNPBDDLCTPBNNY-HOTGVXAUSA-N 2 1 336.480 2.082 20 30 EEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035184334 784020162 /nfs/dbraw/zinc/02/01/62/784020162.db2.gz HVJRTMPJEKKSMQ-SFHVURJKSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244895 784178136 /nfs/dbraw/zinc/17/81/36/784178136.db2.gz WHRDMFWNMZSTLO-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC000819023288 785387048 /nfs/dbraw/zinc/38/70/48/785387048.db2.gz CZEQOWKBGPKNHV-SFHVURJKSA-N 2 1 334.460 2.367 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552160 787608107 /nfs/dbraw/zinc/60/81/07/787608107.db2.gz HMLMLZCYVVBBOK-YLJYHZDGSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552160 787608109 /nfs/dbraw/zinc/60/81/09/787608109.db2.gz HMLMLZCYVVBBOK-YLJYHZDGSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552160 787608112 /nfs/dbraw/zinc/60/81/12/787608112.db2.gz HMLMLZCYVVBBOK-YLJYHZDGSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831410 788347113 /nfs/dbraw/zinc/34/71/13/788347113.db2.gz YNAWLPROWUCPNZ-KDURUIRLSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168391188 789452150 /nfs/dbraw/zinc/45/21/50/789452150.db2.gz PDLXQZNGBJRDCV-UHFFFAOYSA-N 2 1 339.524 2.331 20 30 EEEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001148292680 792332115 /nfs/dbraw/zinc/33/21/15/792332115.db2.gz POVNESHCRHLPEE-ZWKOTPCHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292680 792332125 /nfs/dbraw/zinc/33/21/25/792332125.db2.gz POVNESHCRHLPEE-ZWKOTPCHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292680 792332137 /nfs/dbraw/zinc/33/21/37/792332137.db2.gz POVNESHCRHLPEE-ZWKOTPCHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999033848 793691623 /nfs/dbraw/zinc/69/16/23/793691623.db2.gz QFBRVVMECKEVLA-GPANFISMSA-N 2 1 327.900 2.438 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992408395 793983275 /nfs/dbraw/zinc/98/32/75/793983275.db2.gz RSVTZVDJIDRPQD-PZJWPPBQSA-N 2 1 343.515 2.245 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092919291 794438300 /nfs/dbraw/zinc/43/83/00/794438300.db2.gz IZCYZVLCZHNFCF-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092919291 794438307 /nfs/dbraw/zinc/43/83/07/794438307.db2.gz IZCYZVLCZHNFCF-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079185523 794465039 /nfs/dbraw/zinc/46/50/39/794465039.db2.gz VCKZJLYWEIAZSS-DQEVTTJGSA-N 2 1 345.462 2.236 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036810431 795215671 /nfs/dbraw/zinc/21/56/71/795215671.db2.gz BKLFQAKRUCPPDY-CVEARBPZSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107993808 795241615 /nfs/dbraw/zinc/24/16/15/795241615.db2.gz YVDGEDIKQAGXSC-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107993808 795241621 /nfs/dbraw/zinc/24/16/21/795241621.db2.gz YVDGEDIKQAGXSC-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107993808 795241626 /nfs/dbraw/zinc/24/16/26/795241626.db2.gz YVDGEDIKQAGXSC-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107993808 795241631 /nfs/dbraw/zinc/24/16/31/795241631.db2.gz YVDGEDIKQAGXSC-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001106266640 795313323 /nfs/dbraw/zinc/31/33/23/795313323.db2.gz VPEHDNPTFMATPC-KURKYZTESA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001106266640 795313329 /nfs/dbraw/zinc/31/33/29/795313329.db2.gz VPEHDNPTFMATPC-KURKYZTESA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036836350 795347693 /nfs/dbraw/zinc/34/76/93/795347693.db2.gz PJDVNVGGIFZKDI-SJORKVTESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106354087 795438124 /nfs/dbraw/zinc/43/81/24/795438124.db2.gz LBFAIORKDOLWCY-HUUCEWRRSA-N 2 1 334.464 2.000 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)C1 ZINC001040510000 795444193 /nfs/dbraw/zinc/44/41/93/795444193.db2.gz KXGCATXQAARYNJ-PMACEKPBSA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)C1 ZINC001040510000 795444194 /nfs/dbraw/zinc/44/41/94/795444194.db2.gz KXGCATXQAARYNJ-PMACEKPBSA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)C1 ZINC001040510000 795444196 /nfs/dbraw/zinc/44/41/96/795444196.db2.gz KXGCATXQAARYNJ-PMACEKPBSA-N 2 1 331.504 2.363 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036860013 795511267 /nfs/dbraw/zinc/51/12/67/795511267.db2.gz ZIERXXMYJPSQIL-RBUKOAKNSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106727764 796300262 /nfs/dbraw/zinc/30/02/62/796300262.db2.gz SMOXGLMZDWULLO-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@H]1C ZINC000993339062 796426156 /nfs/dbraw/zinc/42/61/56/796426156.db2.gz QVFGDNRAHIKZIQ-WBVHZDCISA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171586921 796633966 /nfs/dbraw/zinc/63/39/66/796633966.db2.gz VXAATLDHOWJQSP-INIZCTEOSA-N 2 1 327.513 2.184 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081214013 796673855 /nfs/dbraw/zinc/67/38/55/796673855.db2.gz ZWTBKIBOZSPKLS-YSIASYRMSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993577213 796805735 /nfs/dbraw/zinc/80/57/35/796805735.db2.gz PUZWRFHMODJRNB-GOEBONIOSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994118547 797301110 /nfs/dbraw/zinc/30/11/10/797301110.db2.gz VRILIUJDJPLRJF-YOEHRIQHSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994118547 797301116 /nfs/dbraw/zinc/30/11/16/797301116.db2.gz VRILIUJDJPLRJF-YOEHRIQHSA-N 2 1 325.416 2.036 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994211884 797392913 /nfs/dbraw/zinc/39/29/13/797392913.db2.gz ZPOYJZACOBBDNB-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272063 798064213 /nfs/dbraw/zinc/06/42/13/798064213.db2.gz GUQFZCGUYQFZKD-WBVHZDCISA-N 2 1 330.476 2.042 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663309 798354527 /nfs/dbraw/zinc/35/45/27/798354527.db2.gz WOGVCUXZDHRXFJ-GPMSIDNRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663309 798354533 /nfs/dbraw/zinc/35/45/33/798354533.db2.gz WOGVCUXZDHRXFJ-GPMSIDNRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663309 798354540 /nfs/dbraw/zinc/35/45/40/798354540.db2.gz WOGVCUXZDHRXFJ-GPMSIDNRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033006 798623353 /nfs/dbraw/zinc/62/33/53/798623353.db2.gz MSWBQRZCBULWDG-JTDSTZFVSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033006 798623355 /nfs/dbraw/zinc/62/33/55/798623355.db2.gz MSWBQRZCBULWDG-JTDSTZFVSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001177320019 798858351 /nfs/dbraw/zinc/85/83/51/798858351.db2.gz YFCSNMHAEAFFTG-RTBURBONSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001178722706 799580889 /nfs/dbraw/zinc/58/08/89/799580889.db2.gz OEZKPQYIPFOCHT-IRXDYDNUSA-N 2 1 325.472 2.098 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001178722706 799580892 /nfs/dbraw/zinc/58/08/92/799580892.db2.gz OEZKPQYIPFOCHT-IRXDYDNUSA-N 2 1 325.472 2.098 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003624677 799905619 /nfs/dbraw/zinc/90/56/19/799905619.db2.gz UKKOTHVUBOOMBN-AWEZNQCLSA-N 2 1 346.500 2.185 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003624677 799905628 /nfs/dbraw/zinc/90/56/28/799905628.db2.gz UKKOTHVUBOOMBN-AWEZNQCLSA-N 2 1 346.500 2.185 20 30 EEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001179585002 800016598 /nfs/dbraw/zinc/01/65/98/800016598.db2.gz ABWWEYORJCLIKK-KRWDZBQOSA-N 2 1 330.476 2.043 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525598 800815780 /nfs/dbraw/zinc/81/57/80/800815780.db2.gz NGZDUFDGKQEWJB-DNNBLBMLSA-N 2 1 327.900 2.153 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001182346419 801129705 /nfs/dbraw/zinc/12/97/05/801129705.db2.gz OSRBXSKMTVOBSS-YFVAEKQCSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001182401759 801152957 /nfs/dbraw/zinc/15/29/57/801152957.db2.gz MYOIEXBVTJIXTG-SIXWZSSISA-N 2 1 330.476 2.014 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183516907 801622887 /nfs/dbraw/zinc/62/28/87/801622887.db2.gz FAZPQRWBQWUPHC-SLYNCCJLSA-N 2 1 341.499 2.387 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2ccnc2)cn1 ZINC001085922511 801667307 /nfs/dbraw/zinc/66/73/07/801667307.db2.gz FMMAHHOCNUVDEH-KRWDZBQOSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004450532 802072024 /nfs/dbraw/zinc/07/20/24/802072024.db2.gz MUOVBRKOPHMONA-QRQLOZEOSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004450532 802072032 /nfs/dbraw/zinc/07/20/32/802072032.db2.gz MUOVBRKOPHMONA-QRQLOZEOSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004450532 802072038 /nfs/dbraw/zinc/07/20/38/802072038.db2.gz MUOVBRKOPHMONA-QRQLOZEOSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004486566 802190640 /nfs/dbraw/zinc/19/06/40/802190640.db2.gz WLKQIMRIUOBCNX-GOSISDBHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004486566 802190644 /nfs/dbraw/zinc/19/06/44/802190644.db2.gz WLKQIMRIUOBCNX-GOSISDBHSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086109936 802199857 /nfs/dbraw/zinc/19/98/57/802199857.db2.gz MLVKJRKPZDPORK-OTWHNJEPSA-N 2 1 331.504 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086109936 802199863 /nfs/dbraw/zinc/19/98/63/802199863.db2.gz MLVKJRKPZDPORK-OTWHNJEPSA-N 2 1 331.504 2.149 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001086221522 802530678 /nfs/dbraw/zinc/53/06/78/802530678.db2.gz XKQFSLWSTLCDDT-XUWVNRHRSA-N 2 1 325.884 2.240 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082707 802958017 /nfs/dbraw/zinc/95/80/17/802958017.db2.gz HATNCVUIWMADSH-ZWKOTPCHSA-N 2 1 341.540 2.240 20 30 EEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100082707 802958021 /nfs/dbraw/zinc/95/80/21/802958021.db2.gz HATNCVUIWMADSH-ZWKOTPCHSA-N 2 1 341.540 2.240 20 30 EEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100082707 802958026 /nfs/dbraw/zinc/95/80/26/802958026.db2.gz HATNCVUIWMADSH-ZWKOTPCHSA-N 2 1 341.540 2.240 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001108419317 803509960 /nfs/dbraw/zinc/50/99/60/803509960.db2.gz HXFPZDFVOLZUHF-FQEVSTJZSA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001108419317 803509965 /nfs/dbraw/zinc/50/99/65/803509965.db2.gz HXFPZDFVOLZUHF-FQEVSTJZSA-N 2 1 345.487 2.145 20 30 EEEDMP CC(=O)N1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527590 803825504 /nfs/dbraw/zinc/82/55/04/803825504.db2.gz XICTWEGQPGGMMW-UFYCRDLUSA-N 2 1 340.471 2.251 20 30 EEEDMP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797686 804053203 /nfs/dbraw/zinc/05/32/03/804053203.db2.gz IYRWSKICJGCWSR-KBPBESRZSA-N 2 1 346.313 2.254 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108780542 804502214 /nfs/dbraw/zinc/50/22/14/804502214.db2.gz FUJPKPIBLLQPQP-OTWHNJEPSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001086609613 810042680 /nfs/dbraw/zinc/04/26/80/810042680.db2.gz OPJNQKYGRILYKQ-NZSAHSFTSA-N 2 1 327.472 2.241 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609613 810042684 /nfs/dbraw/zinc/04/26/84/810042684.db2.gz OPJNQKYGRILYKQ-NZSAHSFTSA-N 2 1 327.472 2.241 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609613 810042689 /nfs/dbraw/zinc/04/26/89/810042689.db2.gz OPJNQKYGRILYKQ-NZSAHSFTSA-N 2 1 327.472 2.241 20 30 EEEDMP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430707 810849758 /nfs/dbraw/zinc/84/97/58/810849758.db2.gz WFUZQMLMDGFDCB-AWEZNQCLSA-N 2 1 344.297 2.008 20 30 EEEDMP C=CCCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[N@H+](C)CC)C1 ZINC001130439406 811670215 /nfs/dbraw/zinc/67/02/15/811670215.db2.gz RPUYXBKBFPPJPT-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=CCCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130439406 811670222 /nfs/dbraw/zinc/67/02/22/811670222.db2.gz RPUYXBKBFPPJPT-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130439406 811670226 /nfs/dbraw/zinc/67/02/26/811670226.db2.gz RPUYXBKBFPPJPT-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438553373 1091045460 /nfs/dbraw/zinc/04/54/60/1091045460.db2.gz QGNIMJWUXVEXFR-QFBILLFUSA-N 2 1 342.487 2.275 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001448975503 1093979040 /nfs/dbraw/zinc/97/90/40/1093979040.db2.gz IFLNENKKYIAPAQ-KBXCAEBGSA-N 2 1 346.450 2.118 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1C#N ZINC001440735846 1093983795 /nfs/dbraw/zinc/98/37/95/1093983795.db2.gz OMHVJYQNOAKGSF-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1C#N ZINC001440735846 1093983799 /nfs/dbraw/zinc/98/37/99/1093983799.db2.gz OMHVJYQNOAKGSF-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001444500827 1099228854 /nfs/dbraw/zinc/22/88/54/1099228854.db2.gz MBOPDFKCRSLPTP-ZDUSSCGKSA-N 2 1 344.297 2.008 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@H+](C)CC ZINC001496906510 1101700847 /nfs/dbraw/zinc/70/08/47/1101700847.db2.gz CWNQERMQUMQAFI-KBPBESRZSA-N 2 1 346.313 2.111 20 30 EEEDMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1C#N ZINC000374206830 154004291 /nfs/dbraw/zinc/00/42/91/154004291.db2.gz VGJIXJDQZYOIGZ-YQVWRLOYSA-N 2 1 329.444 2.250 20 30 EEEDMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1C#N ZINC000374206830 154004294 /nfs/dbraw/zinc/00/42/94/154004294.db2.gz VGJIXJDQZYOIGZ-YQVWRLOYSA-N 2 1 329.444 2.250 20 30 EEEDMP C[NH+](C)CC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000441203758 270020675 /nfs/dbraw/zinc/02/06/75/270020675.db2.gz PDFJAWULJASJJJ-UHFFFAOYSA-N 2 1 325.416 2.382 20 30 EEEDMP C#CCCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000119528497 462908579 /nfs/dbraw/zinc/90/85/79/462908579.db2.gz CVOPPJGDMZQFMX-UHFFFAOYSA-N 2 1 341.499 2.302 20 30 EEEDMP C#CCNC(=O)CC[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000491619709 468361196 /nfs/dbraw/zinc/36/11/96/468361196.db2.gz MMODBIUPLDLZQJ-PKOBYXMFSA-N 2 1 327.472 2.016 20 30 EEEDMP CCN(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccco1 ZINC000264068170 464278026 /nfs/dbraw/zinc/27/80/26/464278026.db2.gz BZVPPYSDEMCPJI-HOTGVXAUSA-N 2 1 335.496 2.051 20 30 EEEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc[nH+]1 ZINC000331864343 466280526 /nfs/dbraw/zinc/28/05/26/466280526.db2.gz JDKXBEXVCGTMCS-JONQDZQNSA-N 2 1 346.454 2.131 20 30 EEEDMP COc1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000377620509 467098457 /nfs/dbraw/zinc/09/84/57/467098457.db2.gz DWCTWNVGBBMHQE-IBGZPJMESA-N 2 1 342.487 2.167 20 30 EEEDMP C#CCOc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378368922 467281990 /nfs/dbraw/zinc/28/19/90/467281990.db2.gz HYWBWSXRBVGEDX-WSTZPKSXSA-N 2 1 328.456 2.382 20 30 EEEDMP C#CCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378368922 467281994 /nfs/dbraw/zinc/28/19/94/467281994.db2.gz HYWBWSXRBVGEDX-WSTZPKSXSA-N 2 1 328.456 2.382 20 30 EEEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527378091 467660836 /nfs/dbraw/zinc/66/08/36/467660836.db2.gz KHTSXSMYZFLDIK-FUHWJXTLSA-N 2 1 340.471 2.049 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527378091 467660837 /nfs/dbraw/zinc/66/08/37/467660837.db2.gz KHTSXSMYZFLDIK-FUHWJXTLSA-N 2 1 340.471 2.049 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)C(C)C ZINC000457754616 467697148 /nfs/dbraw/zinc/69/71/48/467697148.db2.gz RDQSWIOCVJEODO-OKZBNKHCSA-N 2 1 334.508 2.031 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000514856116 467958934 /nfs/dbraw/zinc/95/89/34/467958934.db2.gz RKDPAVDOWXJGNX-LJQANCHMSA-N 2 1 330.472 2.371 20 30 EEEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000583867107 468767432 /nfs/dbraw/zinc/76/74/32/468767432.db2.gz RWXAWNGAEJGYRF-YLJYHZDGSA-N 2 1 344.503 2.008 20 30 EEEDMP N#CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000595619774 468926384 /nfs/dbraw/zinc/92/63/84/468926384.db2.gz GXFPWUSNNLOLRJ-MRXNPFEDSA-N 2 1 346.500 2.018 20 30 EEEDMP N#CC[C@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000595619774 468926390 /nfs/dbraw/zinc/92/63/90/468926390.db2.gz GXFPWUSNNLOLRJ-MRXNPFEDSA-N 2 1 346.500 2.018 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000730105657 576715871 /nfs/dbraw/zinc/71/58/71/576715871.db2.gz LKGNDZQKMWVXKE-IBGZPJMESA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000730105657 576715872 /nfs/dbraw/zinc/71/58/72/576715872.db2.gz LKGNDZQKMWVXKE-IBGZPJMESA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001022220893 676742606 /nfs/dbraw/zinc/74/26/06/676742606.db2.gz SXBYHNBQVIHCSF-HNJRGHQBSA-N 2 1 337.467 2.008 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001022220893 676742607 /nfs/dbraw/zinc/74/26/07/676742607.db2.gz SXBYHNBQVIHCSF-HNJRGHQBSA-N 2 1 337.467 2.008 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000971705078 676748421 /nfs/dbraw/zinc/74/84/21/676748421.db2.gz ZBCXXYYNNZLHSU-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000971705078 676748424 /nfs/dbraw/zinc/74/84/24/676748424.db2.gz ZBCXXYYNNZLHSU-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2CC3(CCC3)C2)C1 ZINC000971705078 676748425 /nfs/dbraw/zinc/74/84/25/676748425.db2.gz ZBCXXYYNNZLHSU-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2CC3(CCC3)C2)C1 ZINC000971705078 676748427 /nfs/dbraw/zinc/74/84/27/676748427.db2.gz ZBCXXYYNNZLHSU-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC000971785816 676790932 /nfs/dbraw/zinc/79/09/32/676790932.db2.gz ZGMVUMRRABYODG-FUHWJXTLSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)cc1 ZINC000104183206 678006528 /nfs/dbraw/zinc/00/65/28/678006528.db2.gz NQGZZDQZEOBNCH-UHFFFAOYSA-N 2 1 347.507 2.228 20 30 EEEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCCN2CCC[N@H+](C)CC2)cc1 ZINC000104183206 678006530 /nfs/dbraw/zinc/00/65/30/678006530.db2.gz NQGZZDQZEOBNCH-UHFFFAOYSA-N 2 1 347.507 2.228 20 30 EEEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCCN2CCC[N@@H+](C)CC2)cc1 ZINC000104183206 678006534 /nfs/dbraw/zinc/00/65/34/678006534.db2.gz NQGZZDQZEOBNCH-UHFFFAOYSA-N 2 1 347.507 2.228 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001023122774 679133832 /nfs/dbraw/zinc/13/38/32/679133832.db2.gz DOUQYEXSECJKDW-KPWCQOOUSA-N 2 1 344.297 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001023371831 679278105 /nfs/dbraw/zinc/27/81/05/679278105.db2.gz GOEYYLKWDZEDMI-OWCLPIDISA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001023371831 679278106 /nfs/dbraw/zinc/27/81/06/679278106.db2.gz GOEYYLKWDZEDMI-OWCLPIDISA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023371831 679278107 /nfs/dbraw/zinc/27/81/07/679278107.db2.gz GOEYYLKWDZEDMI-OWCLPIDISA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023371831 679278108 /nfs/dbraw/zinc/27/81/08/679278108.db2.gz GOEYYLKWDZEDMI-OWCLPIDISA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024648239 681312023 /nfs/dbraw/zinc/31/20/23/681312023.db2.gz ZJMZBQIRTIAQDB-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024648239 681312025 /nfs/dbraw/zinc/31/20/25/681312025.db2.gz ZJMZBQIRTIAQDB-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024648888 681319427 /nfs/dbraw/zinc/31/94/27/681319427.db2.gz NDXYURAWOSXPNZ-HXUWFJFHSA-N 2 1 341.499 2.398 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC=C(C)C)CC1 ZINC001024811878 681464260 /nfs/dbraw/zinc/46/42/60/681464260.db2.gz DFKTVJWNFFORKZ-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2C[C@@H](F)CC)CC1 ZINC001024813234 681466462 /nfs/dbraw/zinc/46/64/62/681466462.db2.gz WURYTXVGCMUTHH-ROUUACIJSA-N 2 1 337.483 2.050 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024813914 681466869 /nfs/dbraw/zinc/46/68/69/681466869.db2.gz JJJCOUBGSXOXFA-GOSISDBHSA-N 2 1 327.472 2.356 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024987013 681673276 /nfs/dbraw/zinc/67/32/76/681673276.db2.gz AHLAXJCIKORJSZ-UXHICEINSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024987013 681673278 /nfs/dbraw/zinc/67/32/78/681673278.db2.gz AHLAXJCIKORJSZ-UXHICEINSA-N 2 1 339.483 2.255 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642171 681950400 /nfs/dbraw/zinc/95/04/00/681950400.db2.gz QQQNIIZMYGSNHH-JYRKZWEQSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982642171 681950404 /nfs/dbraw/zinc/95/04/04/681950404.db2.gz QQQNIIZMYGSNHH-JYRKZWEQSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982642171 681950407 /nfs/dbraw/zinc/95/04/07/681950407.db2.gz QQQNIIZMYGSNHH-JYRKZWEQSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277043 682382100 /nfs/dbraw/zinc/38/21/00/682382100.db2.gz MSEWZHWBNYLXGT-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001025277043 682382106 /nfs/dbraw/zinc/38/21/06/682382106.db2.gz MSEWZHWBNYLXGT-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801459 683970004 /nfs/dbraw/zinc/97/00/04/683970004.db2.gz NGQQNAYCVRSGEA-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956641 685807608 /nfs/dbraw/zinc/80/76/08/685807608.db2.gz QSQWEKGDUGXWGB-NVXWUHKLSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956641 685807613 /nfs/dbraw/zinc/80/76/13/685807613.db2.gz QSQWEKGDUGXWGB-NVXWUHKLSA-N 2 1 330.476 2.157 20 30 EEEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000262474401 686267017 /nfs/dbraw/zinc/26/70/17/686267017.db2.gz ZNDOPSKPXHCZLZ-BBWFWOEESA-N 2 1 336.524 2.039 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880098 1192633581 /nfs/dbraw/zinc/63/35/81/1192633581.db2.gz HXUWSYJICGMCOZ-MANSERQUSA-N 2 1 331.504 2.073 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001107039806 1192997043 /nfs/dbraw/zinc/99/70/43/1192997043.db2.gz ZGIJWKZNZZNNIN-VQIMIIECSA-N 2 1 342.487 2.083 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001088348694 1186633576 /nfs/dbraw/zinc/63/35/76/1186633576.db2.gz ZMKXRBCIPBGBSO-MRXNPFEDSA-N 2 1 330.476 2.309 20 30 EEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001088370029 1186686896 /nfs/dbraw/zinc/68/68/96/1186686896.db2.gz YLGBHKWFQPWPKL-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CCN1c2ccccc2[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272869769 1193585675 /nfs/dbraw/zinc/58/56/75/1193585675.db2.gz BEYOWLUITWBJEJ-NRFANRHFSA-N 2 1 339.483 2.198 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991070927 1189860376 /nfs/dbraw/zinc/86/03/76/1189860376.db2.gz WUPHRTNOAMAUJI-JTDSTZFVSA-N 2 1 328.460 2.450 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991070927 1189860382 /nfs/dbraw/zinc/86/03/82/1189860382.db2.gz WUPHRTNOAMAUJI-JTDSTZFVSA-N 2 1 328.460 2.450 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001034004526 1195647050 /nfs/dbraw/zinc/64/70/50/1195647050.db2.gz ODMYFOGADGEUTI-QGZVFWFLSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711014 1195785100 /nfs/dbraw/zinc/78/51/00/1195785100.db2.gz KBUWRDSXTNLGBI-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711014 1195785105 /nfs/dbraw/zinc/78/51/05/1195785105.db2.gz KBUWRDSXTNLGBI-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711014 1195785107 /nfs/dbraw/zinc/78/51/07/1195785107.db2.gz KBUWRDSXTNLGBI-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)CC1 ZINC001273143438 1197001196 /nfs/dbraw/zinc/00/11/96/1197001196.db2.gz HDYQUUFWTDRMAK-QZTJIDSGSA-N 2 1 332.492 2.087 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132215320 1199441210 /nfs/dbraw/zinc/44/12/10/1199441210.db2.gz VTHIODRERZGNHQ-IAGOWNOFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309969 1199560359 /nfs/dbraw/zinc/56/03/59/1199560359.db2.gz HIWHEVGOIWDEPE-IAGOWNOFSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309969 1199560363 /nfs/dbraw/zinc/56/03/63/1199560363.db2.gz HIWHEVGOIWDEPE-IAGOWNOFSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309969 1199560366 /nfs/dbraw/zinc/56/03/66/1199560366.db2.gz HIWHEVGOIWDEPE-IAGOWNOFSA-N 2 1 339.524 2.136 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132374900 1199636097 /nfs/dbraw/zinc/63/60/97/1199636097.db2.gz AOUBDKDRYQLTIW-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137120359 1199940440 /nfs/dbraw/zinc/94/04/40/1199940440.db2.gz HQNTWPZUZLXIDS-UHFFFAOYSA-N 2 1 344.503 2.438 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133360847 1200780842 /nfs/dbraw/zinc/78/08/42/1200780842.db2.gz PYGSSBYFBHGSQM-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133360847 1200780850 /nfs/dbraw/zinc/78/08/50/1200780850.db2.gz PYGSSBYFBHGSQM-UYAOXDASSA-N 2 1 341.499 2.216 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133404076 1200867727 /nfs/dbraw/zinc/86/77/27/1200867727.db2.gz WQKLHWHZLYUGIC-QAPCUYQASA-N 2 1 347.890 2.089 20 30 EEEDMP C#CCN1c2ccccc2C2(CC[NH+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275442577 1205362619 /nfs/dbraw/zinc/36/26/19/1205362619.db2.gz IBXXKJBCFFTAEA-UHFFFAOYSA-N 2 1 346.434 2.008 20 30 EEEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1C#N)C2 ZINC001275968674 1205607849 /nfs/dbraw/zinc/60/78/49/1205607849.db2.gz HZLBUJLDALHGPN-HXUWFJFHSA-N 2 1 326.488 2.408 20 30 EEEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1C#N)C2 ZINC001275968674 1205607850 /nfs/dbraw/zinc/60/78/50/1205607850.db2.gz HZLBUJLDALHGPN-HXUWFJFHSA-N 2 1 326.488 2.408 20 30 EEEDMP Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3CCC[NH+]2CCCCC2)cc1C#N ZINC001276049030 1205751721 /nfs/dbraw/zinc/75/17/21/1205751721.db2.gz NRTPUOWUTTXNOJ-BGYRXZFFSA-N 2 1 341.503 2.031 20 30 EEEDMP Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3CCC[NH+]2CCCCC2)cc1C#N ZINC001276049030 1205751723 /nfs/dbraw/zinc/75/17/23/1205751723.db2.gz NRTPUOWUTTXNOJ-BGYRXZFFSA-N 2 1 341.503 2.031 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ncco4)C[C@H]3CC2)cc1C#N ZINC001276189697 1205826302 /nfs/dbraw/zinc/82/63/02/1205826302.db2.gz JWUFUHBQUBUYSM-CALCHBBNSA-N 2 1 339.443 2.229 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(CC)CC ZINC001095556187 1205872916 /nfs/dbraw/zinc/87/29/16/1205872916.db2.gz CNQLUABOWVACGX-XWSJACJDSA-N 2 1 331.504 2.242 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001111099136 1208169032 /nfs/dbraw/zinc/16/90/32/1208169032.db2.gz RJDXZASGKZHFBY-YRXWBPOGSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001111099136 1208169034 /nfs/dbraw/zinc/16/90/34/1208169034.db2.gz RJDXZASGKZHFBY-YRXWBPOGSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198442 1208356677 /nfs/dbraw/zinc/35/66/77/1208356677.db2.gz YNLNLERPNDYMCK-RWQQGDIJSA-N 2 1 349.519 2.173 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947362849 1208547160 /nfs/dbraw/zinc/54/71/60/1208547160.db2.gz ZMLYZEUWQIXOFM-HOCLYGCPSA-N 2 1 333.501 2.416 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000947723404 1208687325 /nfs/dbraw/zinc/68/73/25/1208687325.db2.gz VTTQBEAVOMZYQO-HZPDHXFCSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000947723404 1208687327 /nfs/dbraw/zinc/68/73/27/1208687327.db2.gz VTTQBEAVOMZYQO-HZPDHXFCSA-N 2 1 346.475 2.429 20 30 EEEDMP CC(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000189083001 1208970495 /nfs/dbraw/zinc/97/04/95/1208970495.db2.gz VEHJBRCDDUWGAD-LJQANCHMSA-N 2 1 346.519 2.128 20 30 EEEDMP C#CCNC(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)=[NH+]C ZINC000083518516 1211485951 /nfs/dbraw/zinc/48/59/51/1211485951.db2.gz CEPHHUJHCVWQQN-OAHLLOKOSA-N 2 1 338.377 2.078 20 30 EEEDMP C#CCNC(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)=[NH+]C ZINC000083518516 1211485955 /nfs/dbraw/zinc/48/59/55/1211485955.db2.gz CEPHHUJHCVWQQN-OAHLLOKOSA-N 2 1 338.377 2.078 20 30 EEEDMP CC(C)C[N@H+]1CCO[C@@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303788670 1213906033 /nfs/dbraw/zinc/90/60/33/1213906033.db2.gz UMFNRMAPVGXCFC-SFHVURJKSA-N 2 1 332.492 2.051 20 30 EEEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NCCc2ccccc2)cn1 ZINC000303872252 1213916693 /nfs/dbraw/zinc/91/66/93/1213916693.db2.gz BXLIASBPSRKICL-UHFFFAOYSA-N 2 1 334.427 2.223 20 30 EEEDMP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000303881098 1213919824 /nfs/dbraw/zinc/91/98/24/1213919824.db2.gz HKFPKVUENBXZOT-CVEARBPZSA-N 2 1 332.492 2.358 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC000957560949 1215211271 /nfs/dbraw/zinc/21/12/71/1215211271.db2.gz BEOTUMAKSHDQHM-UHFFFAOYSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647947 1215295278 /nfs/dbraw/zinc/29/52/78/1215295278.db2.gz XNRRUCREJCDLLZ-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000304806853 1216107340 /nfs/dbraw/zinc/10/73/40/1216107340.db2.gz SOUUCKCCNRANDH-HIFRSBDPSA-N 2 1 338.883 2.496 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000960678212 1216787660 /nfs/dbraw/zinc/78/76/60/1216787660.db2.gz XZCNBXKSGWWALH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000960678212 1216787667 /nfs/dbraw/zinc/78/76/67/1216787667.db2.gz XZCNBXKSGWWALH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960678212 1216787671 /nfs/dbraw/zinc/78/76/71/1216787671.db2.gz XZCNBXKSGWWALH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960678212 1216787675 /nfs/dbraw/zinc/78/76/75/1216787675.db2.gz XZCNBXKSGWWALH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC000960884749 1216960106 /nfs/dbraw/zinc/96/01/06/1216960106.db2.gz SONNSPMRGLIPNB-PBHICJAKSA-N 2 1 348.516 2.383 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961154975 1217061409 /nfs/dbraw/zinc/06/14/09/1217061409.db2.gz ILBJIPJUWXNSEU-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961188717 1217077505 /nfs/dbraw/zinc/07/75/05/1217077505.db2.gz XOBBHUWEWBFTJD-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188717 1217077507 /nfs/dbraw/zinc/07/75/07/1217077507.db2.gz XOBBHUWEWBFTJD-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188717 1217077510 /nfs/dbraw/zinc/07/75/10/1217077510.db2.gz XOBBHUWEWBFTJD-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961226484 1217097572 /nfs/dbraw/zinc/09/75/72/1217097572.db2.gz HCPBONQIRHPIIM-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961270475 1217120244 /nfs/dbraw/zinc/12/02/44/1217120244.db2.gz IHLBRSKPPHCPFK-ZWKOTPCHSA-N 2 1 331.504 2.219 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961277538 1217124110 /nfs/dbraw/zinc/12/41/10/1217124110.db2.gz SZVHMSDFTJTDHO-ZWKOTPCHSA-N 2 1 331.504 2.219 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961370821 1217161825 /nfs/dbraw/zinc/16/18/25/1217161825.db2.gz DLDXIPSXMGFZAY-YZGWKJHDSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961370821 1217161827 /nfs/dbraw/zinc/16/18/27/1217161827.db2.gz DLDXIPSXMGFZAY-YZGWKJHDSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961370821 1217161829 /nfs/dbraw/zinc/16/18/29/1217161829.db2.gz DLDXIPSXMGFZAY-YZGWKJHDSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961372439 1217162544 /nfs/dbraw/zinc/16/25/44/1217162544.db2.gz DLYXHZIOQHTAGM-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961372439 1217162546 /nfs/dbraw/zinc/16/25/46/1217162546.db2.gz DLYXHZIOQHTAGM-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961372439 1217162549 /nfs/dbraw/zinc/16/25/49/1217162549.db2.gz DLYXHZIOQHTAGM-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963356209 1217549781 /nfs/dbraw/zinc/54/97/81/1217549781.db2.gz CDDVEHMHRSCMRL-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963356209 1217549783 /nfs/dbraw/zinc/54/97/83/1217549783.db2.gz CDDVEHMHRSCMRL-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963356209 1217549786 /nfs/dbraw/zinc/54/97/86/1217549786.db2.gz CDDVEHMHRSCMRL-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000963426880 1217620919 /nfs/dbraw/zinc/62/09/19/1217620919.db2.gz DDXNKQXDDZODOE-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1CC ZINC001037884331 1219960736 /nfs/dbraw/zinc/96/07/36/1219960736.db2.gz YBNJDHUFNBRLJY-HZPDHXFCSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401786 1220482970 /nfs/dbraw/zinc/48/29/70/1220482970.db2.gz HAPVSICKMJIZNB-WBVHZDCISA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401786 1220482974 /nfs/dbraw/zinc/48/29/74/1220482974.db2.gz HAPVSICKMJIZNB-WBVHZDCISA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477390 1221336071 /nfs/dbraw/zinc/33/60/71/1221336071.db2.gz SOOQOGRMJKXOMR-YJBOKZPZSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477390 1221336075 /nfs/dbraw/zinc/33/60/75/1221336075.db2.gz SOOQOGRMJKXOMR-YJBOKZPZSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000968954835 1221698960 /nfs/dbraw/zinc/69/89/60/1221698960.db2.gz URQLVQMVWOUKQI-UXHICEINSA-N 2 1 339.483 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000968954835 1221698963 /nfs/dbraw/zinc/69/89/63/1221698963.db2.gz URQLVQMVWOUKQI-UXHICEINSA-N 2 1 339.483 2.092 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001007518405 1222273748 /nfs/dbraw/zinc/27/37/48/1222273748.db2.gz AIRNPJSIGHEXIK-MSOLQXFVSA-N 2 1 345.512 2.235 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016791638 1226882242 /nfs/dbraw/zinc/88/22/42/1226882242.db2.gz ULLQFQUEYHBONJ-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001016818035 1226901582 /nfs/dbraw/zinc/90/15/82/1226901582.db2.gz ABZFMKRILBBXME-HNAYVOBHSA-N 2 1 337.483 2.356 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001017726147 1227679229 /nfs/dbraw/zinc/67/92/29/1227679229.db2.gz GYQTYNCWZSAICP-CALCHBBNSA-N 2 1 337.427 2.132 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018938284 1228552653 /nfs/dbraw/zinc/55/26/53/1228552653.db2.gz HICFFVCCYWNTAV-WMLDXEAASA-N 2 1 346.500 2.185 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001018986259 1228608098 /nfs/dbraw/zinc/60/80/98/1228608098.db2.gz XGBLKEZUAUVAHL-BTRQGYIVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001018986259 1228608100 /nfs/dbraw/zinc/60/81/00/1228608100.db2.gz XGBLKEZUAUVAHL-BTRQGYIVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001020251696 1229583931 /nfs/dbraw/zinc/58/39/31/1229583931.db2.gz ZSFUMUUPZMKUQG-LEAZDLGRSA-N 2 1 339.483 2.390 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001020251696 1229583933 /nfs/dbraw/zinc/58/39/33/1229583933.db2.gz ZSFUMUUPZMKUQG-LEAZDLGRSA-N 2 1 339.483 2.390 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137354 1230350138 /nfs/dbraw/zinc/35/01/38/1230350138.db2.gz GTCPDDWVLBPWLM-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137354 1230350144 /nfs/dbraw/zinc/35/01/44/1230350144.db2.gz GTCPDDWVLBPWLM-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137354 1230350147 /nfs/dbraw/zinc/35/01/47/1230350147.db2.gz GTCPDDWVLBPWLM-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC2)C1 ZINC001039170341 1230395466 /nfs/dbraw/zinc/39/54/66/1230395466.db2.gz NWVZUYBBCRCYGK-CTNGQTDRSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)C1 ZINC001039170341 1230395469 /nfs/dbraw/zinc/39/54/69/1230395469.db2.gz NWVZUYBBCRCYGK-CTNGQTDRSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)C1 ZINC001039170341 1230395472 /nfs/dbraw/zinc/39/54/72/1230395472.db2.gz NWVZUYBBCRCYGK-CTNGQTDRSA-N 2 1 343.515 2.056 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040530539 1231278820 /nfs/dbraw/zinc/27/88/20/1231278820.db2.gz BTOFBBZPLOBDBJ-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040530539 1231278822 /nfs/dbraw/zinc/27/88/22/1231278822.db2.gz BTOFBBZPLOBDBJ-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542457 1231283859 /nfs/dbraw/zinc/28/38/59/1231283859.db2.gz IVRLZFNTMUNDIK-FQEVSTJZSA-N 2 1 331.504 2.200 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040702278 1231341248 /nfs/dbraw/zinc/34/12/48/1231341248.db2.gz TXDXCSDORMLZMH-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC1 ZINC001040751967 1231357969 /nfs/dbraw/zinc/35/79/69/1231357969.db2.gz BPCUQQDJYOBWTC-UHFFFAOYSA-N 2 1 346.475 2.240 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001040883233 1231395379 /nfs/dbraw/zinc/39/53/79/1231395379.db2.gz LAJMJCWONIWAAT-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377730 1231523603 /nfs/dbraw/zinc/52/36/03/1231523603.db2.gz DYMLZMBQZNWQCB-RDJZCZTQSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377730 1231523606 /nfs/dbraw/zinc/52/36/06/1231523606.db2.gz DYMLZMBQZNWQCB-RDJZCZTQSA-N 2 1 327.900 2.250 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042205636 1231955696 /nfs/dbraw/zinc/95/56/96/1231955696.db2.gz YPWGMRBFPLFQMS-DOTOQJQBSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042205636 1231955698 /nfs/dbraw/zinc/95/56/98/1231955698.db2.gz YPWGMRBFPLFQMS-DOTOQJQBSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001045673966 1233899228 /nfs/dbraw/zinc/89/92/28/1233899228.db2.gz ZZNSXLJTWCIVEG-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980364 1234271235 /nfs/dbraw/zinc/27/12/35/1234271235.db2.gz WHVDKMDUJCQFRZ-LJQANCHMSA-N 2 1 331.504 2.363 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249239 1236635879 /nfs/dbraw/zinc/63/58/79/1236635879.db2.gz ROWPGBRPIXOSLS-SQNIBIBYSA-N 2 1 337.427 2.179 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249239 1236635882 /nfs/dbraw/zinc/63/58/82/1236635882.db2.gz ROWPGBRPIXOSLS-SQNIBIBYSA-N 2 1 337.427 2.179 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235885 1240342711 /nfs/dbraw/zinc/34/27/11/1240342711.db2.gz XPINXCKJWJEEOK-OTWHNJEPSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913375 1242676287 /nfs/dbraw/zinc/67/62/87/1242676287.db2.gz WJUCFTLVQLQSTG-WOJBJXKFSA-N 2 1 339.483 2.450 20 30 EEEDMP O=C(Cn1ccnc1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001049934490 1242775669 /nfs/dbraw/zinc/77/56/69/1242775669.db2.gz XAGWNKGFANWLBC-WOJBJXKFSA-N 2 1 348.450 2.000 20 30 EEEDMP O=C(Cn1ccnc1)N1CCC[C@@H]2[C@H]1CCN2CC#Cc1ccccc1 ZINC001049934490 1242775677 /nfs/dbraw/zinc/77/56/77/1242775677.db2.gz XAGWNKGFANWLBC-WOJBJXKFSA-N 2 1 348.450 2.000 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)C)CC1 ZINC001096605350 1242778152 /nfs/dbraw/zinc/77/81/52/1242778152.db2.gz KNYGWHRAPNKDPJ-QYZOEREBSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC/C=C/CC)CC1 ZINC001111455173 1244598371 /nfs/dbraw/zinc/59/83/71/1244598371.db2.gz PWEOJYXLRPQNSA-BNLAEDIXSA-N 2 1 343.515 2.409 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097858571 1244697846 /nfs/dbraw/zinc/69/78/46/1244697846.db2.gz RYVGXWVYSTYNSH-ISARSNTHSA-N 2 1 342.487 2.442 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097858571 1244697860 /nfs/dbraw/zinc/69/78/60/1244697860.db2.gz RYVGXWVYSTYNSH-ISARSNTHSA-N 2 1 342.487 2.442 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786785 1244982986 /nfs/dbraw/zinc/98/29/86/1244982986.db2.gz BSOILSNKLQHERR-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cccc2C1 ZINC001051299464 1245498839 /nfs/dbraw/zinc/49/88/39/1245498839.db2.gz LOKHPTZQSUTWMF-JXFKEZNVSA-N 2 1 341.499 2.435 20 30 EEEDMP C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cccc2C1 ZINC001051299464 1245498843 /nfs/dbraw/zinc/49/88/43/1245498843.db2.gz LOKHPTZQSUTWMF-JXFKEZNVSA-N 2 1 341.499 2.435 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cccc2C1 ZINC001051299464 1245498847 /nfs/dbraw/zinc/49/88/47/1245498847.db2.gz LOKHPTZQSUTWMF-JXFKEZNVSA-N 2 1 341.499 2.435 20 30 EEEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937875 1245515667 /nfs/dbraw/zinc/51/56/67/1245515667.db2.gz OHOLQNJRHUWIFX-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052957272 1245555442 /nfs/dbraw/zinc/55/54/42/1245555442.db2.gz DPYYBMMTYPIJJA-SFHVURJKSA-N 2 1 327.472 2.356 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028931 1245713458 /nfs/dbraw/zinc/71/34/58/1245713458.db2.gz NZBQARJDOURGSJ-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053028931 1245713466 /nfs/dbraw/zinc/71/34/66/1245713466.db2.gz NZBQARJDOURGSJ-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053028931 1245713474 /nfs/dbraw/zinc/71/34/74/1245713474.db2.gz NZBQARJDOURGSJ-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053042203 1245749961 /nfs/dbraw/zinc/74/99/61/1245749961.db2.gz ADYXBCDPGYSQIM-PMACEKPBSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@]2(C)C1 ZINC001101395962 1245759170 /nfs/dbraw/zinc/75/91/70/1245759170.db2.gz ZVVFCGXHFHVUGG-QUCCMNQESA-N 2 1 333.520 2.302 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@]2(C)C1 ZINC001101395962 1245759177 /nfs/dbraw/zinc/75/91/77/1245759177.db2.gz ZVVFCGXHFHVUGG-QUCCMNQESA-N 2 1 333.520 2.302 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053089836 1245873961 /nfs/dbraw/zinc/87/39/61/1245873961.db2.gz DKNPUIASHFRRNH-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053089836 1245873973 /nfs/dbraw/zinc/87/39/73/1245873973.db2.gz DKNPUIASHFRRNH-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053090533 1245875522 /nfs/dbraw/zinc/87/55/22/1245875522.db2.gz GXBLCOBSSJETHD-OALUTQOASA-N 2 1 342.487 2.308 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053090533 1245875530 /nfs/dbraw/zinc/87/55/30/1245875530.db2.gz GXBLCOBSSJETHD-OALUTQOASA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001101551626 1245956978 /nfs/dbraw/zinc/95/69/78/1245956978.db2.gz TXFCFMPDGIXYSJ-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145086 1247515942 /nfs/dbraw/zinc/51/59/42/1247515942.db2.gz JXZXCABODDDIER-AEFFLSMTSA-N 2 1 339.911 2.394 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135030269 1278119508 /nfs/dbraw/zinc/11/95/08/1278119508.db2.gz ZWYJKCGAMQXANY-HUUCEWRRSA-N 2 1 339.443 2.136 20 30 EEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001185668522 1278754357 /nfs/dbraw/zinc/75/43/57/1278754357.db2.gz AQFLDRCVQIXKON-JKSUJKDBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186980660 1279338167 /nfs/dbraw/zinc/33/81/67/1279338167.db2.gz BUVDQJFFRGUMMT-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655902 1280998051 /nfs/dbraw/zinc/99/80/51/1280998051.db2.gz QYLMNARSBOUPHJ-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655902 1280998052 /nfs/dbraw/zinc/99/80/52/1280998052.db2.gz QYLMNARSBOUPHJ-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655902 1280998056 /nfs/dbraw/zinc/99/80/56/1280998056.db2.gz QYLMNARSBOUPHJ-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001193099103 1282315954 /nfs/dbraw/zinc/31/59/54/1282315954.db2.gz JHKVEALDYPVNGK-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193099103 1282315963 /nfs/dbraw/zinc/31/59/63/1282315963.db2.gz JHKVEALDYPVNGK-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193099103 1282315970 /nfs/dbraw/zinc/31/59/70/1282315970.db2.gz JHKVEALDYPVNGK-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001194728667 1283275301 /nfs/dbraw/zinc/27/53/01/1283275301.db2.gz FMHYWVJBAVKUBG-QZTJIDSGSA-N 2 1 344.459 2.080 20 30 EEEDMP C=CCCC[N@H+]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001196481278 1284085158 /nfs/dbraw/zinc/08/51/58/1284085158.db2.gz UWDDQJWWONPPNK-UHFFFAOYSA-N 2 1 339.443 2.381 20 30 EEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198617384 1285246820 /nfs/dbraw/zinc/24/68/20/1285246820.db2.gz OMRMXLIMBTZJBB-IRXDYDNUSA-N 2 1 331.460 2.112 20 30 EEEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885626 1285412493 /nfs/dbraw/zinc/41/24/93/1285412493.db2.gz MQHQWVUBMPOUBP-PKOBYXMFSA-N 2 1 345.487 2.052 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCCO1 ZINC001201849641 1289786512 /nfs/dbraw/zinc/78/65/12/1289786512.db2.gz XPAGRZQVAPTTAG-RBUKOAKNSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110660976 1292283586 /nfs/dbraw/zinc/28/35/86/1292283586.db2.gz KPXLMMWDKXDYPI-MANSERQUSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110660976 1292283592 /nfs/dbraw/zinc/28/35/92/1292283592.db2.gz KPXLMMWDKXDYPI-MANSERQUSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110660976 1292283600 /nfs/dbraw/zinc/28/36/00/1292283600.db2.gz KPXLMMWDKXDYPI-MANSERQUSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001071693469 1294747310 /nfs/dbraw/zinc/74/73/10/1294747310.db2.gz RDTDKNIOYKRGRS-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001071693469 1294747316 /nfs/dbraw/zinc/74/73/16/1294747316.db2.gz RDTDKNIOYKRGRS-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001073116265 1296538941 /nfs/dbraw/zinc/53/89/41/1296538941.db2.gz IEKRQTHUZOMKGY-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073116265 1296538949 /nfs/dbraw/zinc/53/89/49/1296538949.db2.gz IEKRQTHUZOMKGY-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073116265 1296538953 /nfs/dbraw/zinc/53/89/53/1296538953.db2.gz IEKRQTHUZOMKGY-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001073850412 1297601479 /nfs/dbraw/zinc/60/14/79/1297601479.db2.gz BSBSZENYJHGUHF-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001073850412 1297601486 /nfs/dbraw/zinc/60/14/86/1297601486.db2.gz BSBSZENYJHGUHF-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001073850412 1297601488 /nfs/dbraw/zinc/60/14/88/1297601488.db2.gz BSBSZENYJHGUHF-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C#C[C@](C)([NH3+])C(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001219486676 1298039526 /nfs/dbraw/zinc/03/95/26/1298039526.db2.gz PJBTUJMICIIXPG-ICSRJNTNSA-N 2 1 325.456 2.319 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098841692 1298713906 /nfs/dbraw/zinc/71/39/06/1298713906.db2.gz NHGMGPIENNTJGV-BQFCYCMXSA-N 2 1 337.895 2.051 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098841692 1298713911 /nfs/dbraw/zinc/71/39/11/1298713911.db2.gz NHGMGPIENNTJGV-BQFCYCMXSA-N 2 1 337.895 2.051 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108515 1300321672 /nfs/dbraw/zinc/32/16/72/1300321672.db2.gz QCPKJQUIRVAXCI-IAGOWNOFSA-N 2 1 330.476 2.168 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507626 1301160817 /nfs/dbraw/zinc/16/08/17/1301160817.db2.gz HYYZOOQLMHVEEP-OPYAIIAOSA-N 2 1 341.499 2.171 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)CCC=C)C[C@H]2C)CC1 ZINC001102596392 1301270622 /nfs/dbraw/zinc/27/06/22/1301270622.db2.gz CTIJFJAFNMSUPL-WSTZPKSXSA-N 2 1 345.531 2.370 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103082172 1302186404 /nfs/dbraw/zinc/18/64/04/1302186404.db2.gz GNFXMATWZLNYRE-QRVBRYPASA-N 2 1 333.520 2.062 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103082172 1302186409 /nfs/dbraw/zinc/18/64/09/1302186409.db2.gz GNFXMATWZLNYRE-QRVBRYPASA-N 2 1 333.520 2.062 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103082172 1302186416 /nfs/dbraw/zinc/18/64/16/1302186416.db2.gz GNFXMATWZLNYRE-QRVBRYPASA-N 2 1 333.520 2.062 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085257 1302190287 /nfs/dbraw/zinc/19/02/87/1302190287.db2.gz NVXIBJLLODRIDO-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103085257 1302190323 /nfs/dbraw/zinc/19/03/23/1302190323.db2.gz NVXIBJLLODRIDO-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103085257 1302190327 /nfs/dbraw/zinc/19/03/27/1302190327.db2.gz NVXIBJLLODRIDO-QWFCFKBJSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374311 1303182703 /nfs/dbraw/zinc/18/27/03/1303182703.db2.gz PAMFFAYPPHKRID-LJQANCHMSA-N 2 1 345.487 2.073 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)CCC[NH+](C)C)Cc1cccnc1 ZINC001230830126 1303487302 /nfs/dbraw/zinc/48/73/02/1303487302.db2.gz XCKDCSOYPDYSJV-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167606 1304290263 /nfs/dbraw/zinc/29/02/63/1304290263.db2.gz UTHZKCYTXADCBT-CHWSQXEVSA-N 2 1 335.414 2.129 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C/Cl)C1 ZINC001112404204 1304526320 /nfs/dbraw/zinc/52/63/20/1304526320.db2.gz MIGBWDPVGVAQHD-KLCJXICPSA-N 2 1 349.906 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C/Cl)C1 ZINC001112404204 1304526325 /nfs/dbraw/zinc/52/63/25/1304526325.db2.gz MIGBWDPVGVAQHD-KLCJXICPSA-N 2 1 349.906 2.055 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001115305737 1304919860 /nfs/dbraw/zinc/91/98/60/1304919860.db2.gz BYYBEJZEUMGLEG-LTIDMASMSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001115305737 1304919861 /nfs/dbraw/zinc/91/98/61/1304919861.db2.gz BYYBEJZEUMGLEG-LTIDMASMSA-N 2 1 339.911 2.296 20 30 EEEDMP N#CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277940781 1305209738 /nfs/dbraw/zinc/20/97/38/1305209738.db2.gz GFEXFFNETGYTLL-QUCCMNQESA-N 2 1 344.503 2.089 20 30 EEEDMP C=CC[NH2+]C1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCCC1 ZINC001115794109 1305791536 /nfs/dbraw/zinc/79/15/36/1305791536.db2.gz RSHCXQPGXDNKOW-UHFFFAOYSA-N 2 1 339.443 2.476 20 30 EEEDMP C=CCOc1cccc(C[N@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)c1 ZINC001237430632 1305929291 /nfs/dbraw/zinc/92/92/91/1305929291.db2.gz LHZDBTZHLNLUFI-SFHVURJKSA-N 2 1 344.455 2.226 20 30 EEEDMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)c(CC)c2)CCC12C[NH2+]C2 ZINC001237434743 1305932142 /nfs/dbraw/zinc/93/21/42/1305932142.db2.gz DSAXGUARACZFBE-SFHVURJKSA-N 2 1 341.455 2.095 20 30 EEEDMP N#CC1(c2ccccc2)CCC([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246857759 1310451336 /nfs/dbraw/zinc/45/13/36/1310451336.db2.gz CQNCMBBFKJUILQ-NFGIVWRLSA-N 2 1 325.456 2.296 20 30 EEEDMP N#CC1(c2ccccc2)CCC([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246857759 1310451346 /nfs/dbraw/zinc/45/13/46/1310451346.db2.gz CQNCMBBFKJUILQ-NFGIVWRLSA-N 2 1 325.456 2.296 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150023954 1316130074 /nfs/dbraw/zinc/13/00/74/1316130074.db2.gz ZZKZGDKUTOVFAL-MOPGFXCFSA-N 2 1 349.519 2.034 20 30 EEEDMP C[NH+](C)[C@@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC001152522696 1316683022 /nfs/dbraw/zinc/68/30/22/1316683022.db2.gz OWPUCHBGPIXWOS-LJQANCHMSA-N 2 1 336.439 2.067 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854657 1316901026 /nfs/dbraw/zinc/90/10/26/1316901026.db2.gz OGDSXPNMLFAAIB-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854657 1316901028 /nfs/dbraw/zinc/90/10/28/1316901028.db2.gz OGDSXPNMLFAAIB-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854657 1316901030 /nfs/dbraw/zinc/90/10/30/1316901030.db2.gz OGDSXPNMLFAAIB-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854657 1316901031 /nfs/dbraw/zinc/90/10/31/1316901031.db2.gz OGDSXPNMLFAAIB-MRXNPFEDSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155238114 1317517614 /nfs/dbraw/zinc/51/76/14/1317517614.db2.gz ZKRYHRXIUZZALP-QAPCUYQASA-N 2 1 325.472 2.049 20 30 EEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001155238114 1317517619 /nfs/dbraw/zinc/51/76/19/1317517619.db2.gz ZKRYHRXIUZZALP-QAPCUYQASA-N 2 1 325.472 2.049 20 30 EEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001155238114 1317517624 /nfs/dbraw/zinc/51/76/24/1317517624.db2.gz ZKRYHRXIUZZALP-QAPCUYQASA-N 2 1 325.472 2.049 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001159328174 1319740667 /nfs/dbraw/zinc/74/06/67/1319740667.db2.gz QDUMBUCFCUGYRE-SFHVURJKSA-N 2 1 328.460 2.029 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001159327200 1319741572 /nfs/dbraw/zinc/74/15/72/1319741572.db2.gz ACVSCLFEWZCLQF-GOSISDBHSA-N 2 1 328.460 2.029 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787225 1320268163 /nfs/dbraw/zinc/26/81/63/1320268163.db2.gz KPEYTTDOVMCMBQ-IBGZPJMESA-N 2 1 329.488 2.023 20 30 EEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)(COC)CC1 ZINC001162356930 1320836608 /nfs/dbraw/zinc/83/66/08/1320836608.db2.gz QHCKKDNCINMESK-UHFFFAOYSA-N 2 1 348.491 2.003 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001166758038 1321782541 /nfs/dbraw/zinc/78/25/41/1321782541.db2.gz ACNKEFDBAZPFHW-UHFFFAOYSA-N 2 1 346.450 2.025 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458271 1323144776 /nfs/dbraw/zinc/14/47/76/1323144776.db2.gz GKEYGNOOULOUTL-ZWKOTPCHSA-N 2 1 333.451 2.236 20 30 EEEDMP Cc1ncc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)o1 ZINC001276486274 1323369785 /nfs/dbraw/zinc/36/97/85/1323369785.db2.gz ZCHQELACFBBEQW-UHFFFAOYSA-N 2 1 339.443 2.291 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001206057200 1323380954 /nfs/dbraw/zinc/38/09/54/1323380954.db2.gz QFEFYOGGZUYTEE-KRWDZBQOSA-N 2 1 330.476 2.158 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953406 1323739826 /nfs/dbraw/zinc/73/98/26/1323739826.db2.gz IXKZIPZMINJHMZ-IBGZPJMESA-N 2 1 327.472 2.141 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001311434603 1331772610 /nfs/dbraw/zinc/77/26/10/1331772610.db2.gz PKFOKMOPVPXNDM-CEXWTWQISA-N 2 1 348.535 2.141 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001311434603 1331772614 /nfs/dbraw/zinc/77/26/14/1331772614.db2.gz PKFOKMOPVPXNDM-CEXWTWQISA-N 2 1 348.535 2.141 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001311434603 1331772617 /nfs/dbraw/zinc/77/26/17/1331772617.db2.gz PKFOKMOPVPXNDM-CEXWTWQISA-N 2 1 348.535 2.141 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001311434603 1331772619 /nfs/dbraw/zinc/77/26/19/1331772619.db2.gz PKFOKMOPVPXNDM-CEXWTWQISA-N 2 1 348.535 2.141 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001327508135 1334303853 /nfs/dbraw/zinc/30/38/53/1334303853.db2.gz PDTXRXDWIOQKHX-RBUKOAKNSA-N 2 1 329.488 2.446 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001327508135 1334303858 /nfs/dbraw/zinc/30/38/58/1334303858.db2.gz PDTXRXDWIOQKHX-RBUKOAKNSA-N 2 1 329.488 2.446 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112428894 1371440392 /nfs/dbraw/zinc/44/03/92/1371440392.db2.gz PLEAPKXBWDGLCU-BQFCYCMXSA-N 2 1 339.911 2.442 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001122249327 1371954829 /nfs/dbraw/zinc/95/48/29/1371954829.db2.gz SPZYXYYLSCYUGN-FCOWATRHSA-N 2 1 339.483 2.330 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001367058844 1374090716 /nfs/dbraw/zinc/09/07/16/1374090716.db2.gz AUCMYGNKGVREGW-RBUKOAKNSA-N 2 1 342.487 2.177 20 30 EEEDMP CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001373227483 1376498621 /nfs/dbraw/zinc/49/86/21/1376498621.db2.gz OTLUIJCWPGACKA-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001377413791 1379220557 /nfs/dbraw/zinc/22/05/57/1379220557.db2.gz RKBQHJMEBUUWQB-RBUKOAKNSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001390609370 1388697331 /nfs/dbraw/zinc/69/73/31/1388697331.db2.gz HLAZIFITIMBNKW-HUUCEWRRSA-N 2 1 348.516 2.479 20 30 EEEDMP C=C(Br)C[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001391314632 1389243679 /nfs/dbraw/zinc/24/36/79/1389243679.db2.gz IEVRZHZWEDBFEW-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001391314632 1389243688 /nfs/dbraw/zinc/24/36/88/1389243688.db2.gz IEVRZHZWEDBFEW-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755075544 1407085440 /nfs/dbraw/zinc/08/54/40/1407085440.db2.gz ITAWZEJABZKNLT-YLJYHZDGSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001755075544 1407085455 /nfs/dbraw/zinc/08/54/55/1407085455.db2.gz ITAWZEJABZKNLT-YLJYHZDGSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001755075544 1407085468 /nfs/dbraw/zinc/08/54/68/1407085468.db2.gz ITAWZEJABZKNLT-YLJYHZDGSA-N 2 1 341.499 2.447 20 30 EEEDMP CC[C@@H](C(=O)N1CCC([N@@H+](C)CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001700696518 1405655617 /nfs/dbraw/zinc/65/56/17/1405655617.db2.gz JXPSEJFJHMQHBT-FQEVSTJZSA-N 2 1 341.499 2.301 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001115108860 1410971603 /nfs/dbraw/zinc/97/16/03/1410971603.db2.gz QLJALGBTQNBDCM-XODKDNOYSA-N 2 1 341.499 2.476 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211560558 760775825 /nfs/dbraw/zinc/77/58/25/760775825.db2.gz JAFPSYVFFMDRGC-OTWHNJEPSA-N 2 1 327.472 2.241 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458273 760844618 /nfs/dbraw/zinc/84/46/18/760844618.db2.gz AGZNUPGCZKEMAF-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458273 760844630 /nfs/dbraw/zinc/84/46/30/760844630.db2.gz AGZNUPGCZKEMAF-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458273 760844641 /nfs/dbraw/zinc/84/46/41/760844641.db2.gz AGZNUPGCZKEMAF-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461422 760929792 /nfs/dbraw/zinc/92/97/92/760929792.db2.gz GRQOEDVCSRVCMM-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461422 760929801 /nfs/dbraw/zinc/92/98/01/760929801.db2.gz GRQOEDVCSRVCMM-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461422 760929809 /nfs/dbraw/zinc/92/98/09/760929809.db2.gz GRQOEDVCSRVCMM-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C[NH+]=C(NCCc1ccco1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000154636846 768886161 /nfs/dbraw/zinc/88/61/61/768886161.db2.gz WDVIACXPNZVXFB-MAUKXSAKSA-N 2 1 330.476 2.346 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992271 782735133 /nfs/dbraw/zinc/73/51/33/782735133.db2.gz MRDSJMANKMSVKS-QYZOEREBSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992271 782735146 /nfs/dbraw/zinc/73/51/46/782735146.db2.gz MRDSJMANKMSVKS-QYZOEREBSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992271 782735149 /nfs/dbraw/zinc/73/51/49/782735149.db2.gz MRDSJMANKMSVKS-QYZOEREBSA-N 2 1 333.520 2.321 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC)CC(C)(C)C2)CC1 ZINC001089560631 770356944 /nfs/dbraw/zinc/35/69/44/770356944.db2.gz CLTMANPVXZUFGK-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]2C1 ZINC001088077146 782869473 /nfs/dbraw/zinc/86/94/73/782869473.db2.gz LJKVQLOYAVYWGL-QYZOEREBSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077146 782869483 /nfs/dbraw/zinc/86/94/83/782869483.db2.gz LJKVQLOYAVYWGL-QYZOEREBSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077146 782869493 /nfs/dbraw/zinc/86/94/93/782869493.db2.gz LJKVQLOYAVYWGL-QYZOEREBSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000979997900 773686136 /nfs/dbraw/zinc/68/61/36/773686136.db2.gz GACOWJLIFJPAGM-IPMKNSEASA-N 2 1 343.515 2.102 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980143936 773942033 /nfs/dbraw/zinc/94/20/33/773942033.db2.gz OKOOOOIOYKXQNJ-XHSDSOJGSA-N 2 1 336.867 2.161 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980143936 773942041 /nfs/dbraw/zinc/94/20/41/773942041.db2.gz OKOOOOIOYKXQNJ-XHSDSOJGSA-N 2 1 336.867 2.161 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656423 773964882 /nfs/dbraw/zinc/96/48/82/773964882.db2.gz ISQHDYPNYKOTEE-SFHVURJKSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980142763 773972561 /nfs/dbraw/zinc/97/25/61/773972561.db2.gz MBMRVYUZPSZQRI-RCCFBDPRSA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980142763 773972566 /nfs/dbraw/zinc/97/25/66/773972566.db2.gz MBMRVYUZPSZQRI-RCCFBDPRSA-N 2 1 330.476 2.374 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001031740413 774179610 /nfs/dbraw/zinc/17/96/10/774179610.db2.gz BPOSCMBSVMJICK-PXNSSMCTSA-N 2 1 339.483 2.202 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001031740413 774179611 /nfs/dbraw/zinc/17/96/11/774179611.db2.gz BPOSCMBSVMJICK-PXNSSMCTSA-N 2 1 339.483 2.202 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CC[C@@H]2C1 ZINC000946780012 783201404 /nfs/dbraw/zinc/20/14/04/783201404.db2.gz XSZFFNYWYVWHCS-FUHIMQAGSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CC[C@@H]2C1 ZINC000946780012 783201414 /nfs/dbraw/zinc/20/14/14/783201414.db2.gz XSZFFNYWYVWHCS-FUHIMQAGSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CC[C@@H]2C1 ZINC000946780012 783201418 /nfs/dbraw/zinc/20/14/18/783201418.db2.gz XSZFFNYWYVWHCS-FUHIMQAGSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCC2CCC2)CC1 ZINC000981365746 777260743 /nfs/dbraw/zinc/26/07/43/777260743.db2.gz XJHSFVBJXKTVJT-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCC2CCC2)CC1 ZINC000981365746 777260751 /nfs/dbraw/zinc/26/07/51/777260751.db2.gz XJHSFVBJXKTVJT-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCC2CCC2)CC1 ZINC000981365746 777260760 /nfs/dbraw/zinc/26/07/60/777260760.db2.gz XJHSFVBJXKTVJT-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000981365746 777260768 /nfs/dbraw/zinc/26/07/68/777260768.db2.gz XJHSFVBJXKTVJT-IBGZPJMESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089846208 777801780 /nfs/dbraw/zinc/80/17/80/777801780.db2.gz KWWHPYYLVUHXMJ-MANSERQUSA-N 2 1 343.515 2.053 20 30 EEEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087443368 780289491 /nfs/dbraw/zinc/28/94/91/780289491.db2.gz JCJBAOWCOGNZOX-IPMKNSEASA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087443368 780289494 /nfs/dbraw/zinc/28/94/94/780289494.db2.gz JCJBAOWCOGNZOX-IPMKNSEASA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087443368 780289503 /nfs/dbraw/zinc/28/95/03/780289503.db2.gz JCJBAOWCOGNZOX-IPMKNSEASA-N 2 1 327.472 2.098 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC000945183872 783575292 /nfs/dbraw/zinc/57/52/92/783575292.db2.gz UGTFCAWONNKVQW-XLIONFOSSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000997747127 790966202 /nfs/dbraw/zinc/96/62/02/790966202.db2.gz DKMKQKXIGRNXFU-HNNXBMFYSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135784532 784424523 /nfs/dbraw/zinc/42/45/23/784424523.db2.gz INTJYMBNEOGGLF-CABCVRRESA-N 2 1 327.432 2.330 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035538349 784641062 /nfs/dbraw/zinc/64/10/62/784641062.db2.gz ZQBRILDRHIABDN-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035538349 784641068 /nfs/dbraw/zinc/64/10/68/784641068.db2.gz ZQBRILDRHIABDN-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035538349 784641073 /nfs/dbraw/zinc/64/10/73/784641073.db2.gz ZQBRILDRHIABDN-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C(C)(C)C1 ZINC000995924593 785824087 /nfs/dbraw/zinc/82/40/87/785824087.db2.gz QGSGBVMKNKQCDI-RBUKOAKNSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C(C)(C)C1 ZINC000995924593 785824097 /nfs/dbraw/zinc/82/40/97/785824097.db2.gz QGSGBVMKNKQCDI-RBUKOAKNSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560940 805671283 /nfs/dbraw/zinc/67/12/83/805671283.db2.gz YLAZTRWPXHQKKF-QYZOEREBSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109560940 805671291 /nfs/dbraw/zinc/67/12/91/805671291.db2.gz YLAZTRWPXHQKKF-QYZOEREBSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109560940 805671298 /nfs/dbraw/zinc/67/12/98/805671298.db2.gz YLAZTRWPXHQKKF-QYZOEREBSA-N 2 1 331.504 2.386 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1(C)C ZINC000996299839 786234240 /nfs/dbraw/zinc/23/42/40/786234240.db2.gz FJJTWPIWLUFDED-KRWDZBQOSA-N 2 1 346.475 2.287 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC000996607520 786762358 /nfs/dbraw/zinc/76/23/58/786762358.db2.gz PCEFDLCURXBXLP-CXAGYDPISA-N 2 1 346.500 2.041 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000996685024 787132637 /nfs/dbraw/zinc/13/26/37/787132637.db2.gz LSIDVMKBKKXELB-SFHVURJKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000996685024 787132642 /nfs/dbraw/zinc/13/26/42/787132642.db2.gz LSIDVMKBKKXELB-SFHVURJKSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552158 787607439 /nfs/dbraw/zinc/60/74/39/787607439.db2.gz HJKZCFXCOJTGAO-YLJYHZDGSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552158 787607446 /nfs/dbraw/zinc/60/74/46/787607446.db2.gz HJKZCFXCOJTGAO-YLJYHZDGSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552158 787607453 /nfs/dbraw/zinc/60/74/53/787607453.db2.gz HJKZCFXCOJTGAO-YLJYHZDGSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859366 788822428 /nfs/dbraw/zinc/82/24/28/788822428.db2.gz RLYKUGNCBUWPHO-AKHDSKFASA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000923560473 789771290 /nfs/dbraw/zinc/77/12/90/789771290.db2.gz BSBKMOHETNRUMY-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000923560473 789771296 /nfs/dbraw/zinc/77/12/96/789771296.db2.gz BSBKMOHETNRUMY-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001109864625 806107492 /nfs/dbraw/zinc/10/74/92/806107492.db2.gz MEYMCLLWEJUPOI-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001109864625 806107498 /nfs/dbraw/zinc/10/74/98/806107498.db2.gz MEYMCLLWEJUPOI-QYZOEREBSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998103144 791970827 /nfs/dbraw/zinc/97/08/27/791970827.db2.gz PHXJRNZYMMRJJD-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998103144 791970830 /nfs/dbraw/zinc/97/08/30/791970830.db2.gz PHXJRNZYMMRJJD-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000998103144 791970841 /nfs/dbraw/zinc/97/08/41/791970841.db2.gz PHXJRNZYMMRJJD-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998108861 791986569 /nfs/dbraw/zinc/98/65/69/791986569.db2.gz HDCDNWPWJPYBGR-MSOLQXFVSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000998108861 791986575 /nfs/dbraw/zinc/98/65/75/791986575.db2.gz HDCDNWPWJPYBGR-MSOLQXFVSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147992186 792111483 /nfs/dbraw/zinc/11/14/83/792111483.db2.gz JTPXGNLJAZICFN-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000998171956 792126491 /nfs/dbraw/zinc/12/64/91/792126491.db2.gz SKNVSFLNAKCZDK-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001107981754 792357280 /nfs/dbraw/zinc/35/72/80/792357280.db2.gz FLIDNRHRXSRJAS-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cnc[nH]2)CC[C@@H]1C(F)(F)F ZINC000998265371 792385264 /nfs/dbraw/zinc/38/52/64/792385264.db2.gz HJWRHNZMBZPXFE-UONOGXRCSA-N 2 1 344.381 2.287 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731743 792547217 /nfs/dbraw/zinc/54/72/17/792547217.db2.gz VGLIGUFGZJKXQE-NSHGMRRFSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731743 792547226 /nfs/dbraw/zinc/54/72/26/792547226.db2.gz VGLIGUFGZJKXQE-NSHGMRRFSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731743 792547229 /nfs/dbraw/zinc/54/72/29/792547229.db2.gz VGLIGUFGZJKXQE-NSHGMRRFSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754764 792772757 /nfs/dbraw/zinc/77/27/57/792772757.db2.gz ZFNLNGFQSXDBPA-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754764 792772761 /nfs/dbraw/zinc/77/27/61/792772761.db2.gz ZFNLNGFQSXDBPA-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754764 792772767 /nfs/dbraw/zinc/77/27/67/792772767.db2.gz ZFNLNGFQSXDBPA-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754764 792772773 /nfs/dbraw/zinc/77/27/73/792772773.db2.gz ZFNLNGFQSXDBPA-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@H]12 ZINC000992191724 793160328 /nfs/dbraw/zinc/16/03/28/793160328.db2.gz RPLSFAYEMFEPLE-IMFGXOCKSA-N 2 1 342.487 2.443 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@H]12 ZINC000992191724 793160330 /nfs/dbraw/zinc/16/03/30/793160330.db2.gz RPLSFAYEMFEPLE-IMFGXOCKSA-N 2 1 342.487 2.443 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@]2(C)C1 ZINC001092313100 793787596 /nfs/dbraw/zinc/78/75/96/793787596.db2.gz UXEHVAUOQXRDMK-UZLBHIALSA-N 2 1 343.471 2.149 20 30 EEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092967796 794505977 /nfs/dbraw/zinc/50/59/77/794505977.db2.gz GTTQJEHIYZDXHK-VQIMIIECSA-N 2 1 329.488 2.274 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968734 794507058 /nfs/dbraw/zinc/50/70/58/794507058.db2.gz YQGMMWKHTMQTMC-YLJYHZDGSA-N 2 1 341.499 2.112 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001093366479 795094592 /nfs/dbraw/zinc/09/45/92/795094592.db2.gz FZYLWFXOKSNJFE-LJQANCHMSA-N 2 1 340.471 2.069 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001106266631 795313424 /nfs/dbraw/zinc/31/34/24/795313424.db2.gz UYOWPGGJJVXNTE-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001106266631 795313426 /nfs/dbraw/zinc/31/34/26/795313426.db2.gz UYOWPGGJJVXNTE-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001093599201 795439865 /nfs/dbraw/zinc/43/98/65/795439865.db2.gz SMURRQAKCQGWDV-CALCHBBNSA-N 2 1 349.519 2.127 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001093599201 795439871 /nfs/dbraw/zinc/43/98/71/795439871.db2.gz SMURRQAKCQGWDV-CALCHBBNSA-N 2 1 349.519 2.127 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001094436244 796218671 /nfs/dbraw/zinc/21/86/71/796218671.db2.gz FWAONGAEYYAHGJ-QKNQBKEWSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001094436244 796218674 /nfs/dbraw/zinc/21/86/74/796218674.db2.gz FWAONGAEYYAHGJ-QKNQBKEWSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094436244 796218677 /nfs/dbraw/zinc/21/86/77/796218677.db2.gz FWAONGAEYYAHGJ-QKNQBKEWSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094436244 796218680 /nfs/dbraw/zinc/21/86/80/796218680.db2.gz FWAONGAEYYAHGJ-QKNQBKEWSA-N 2 1 343.515 2.245 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@@H]1C ZINC000993826444 797056987 /nfs/dbraw/zinc/05/69/87/797056987.db2.gz QCQAFYWIWKHAET-GOEBONIOSA-N 2 1 332.448 2.039 20 30 EEEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978437 797179366 /nfs/dbraw/zinc/17/93/66/797179366.db2.gz MAJVNSBQVNKCCB-UGUYLWEFSA-N 2 1 336.480 2.208 20 30 EEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978437 797179370 /nfs/dbraw/zinc/17/93/70/797179370.db2.gz MAJVNSBQVNKCCB-UGUYLWEFSA-N 2 1 336.480 2.208 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001095027887 797250668 /nfs/dbraw/zinc/25/06/68/797250668.db2.gz UXMLHABBJVXQGO-LESCRADOSA-N 2 1 337.427 2.036 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033120 798623456 /nfs/dbraw/zinc/62/34/56/798623456.db2.gz ROBZTVSXPWLOFC-FUHIMQAGSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033120 798623459 /nfs/dbraw/zinc/62/34/59/798623459.db2.gz ROBZTVSXPWLOFC-FUHIMQAGSA-N 2 1 349.494 2.145 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001177150047 798774535 /nfs/dbraw/zinc/77/45/35/798774535.db2.gz HBWNPUVNPJHINI-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001177150047 798774538 /nfs/dbraw/zinc/77/45/38/798774538.db2.gz HBWNPUVNPJHINI-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177341829 798876086 /nfs/dbraw/zinc/87/60/86/798876086.db2.gz CLDOZQLXTHIXSS-SFHVURJKSA-N 2 1 337.483 2.052 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177341829 798876090 /nfs/dbraw/zinc/87/60/90/798876090.db2.gz CLDOZQLXTHIXSS-SFHVURJKSA-N 2 1 337.483 2.052 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)[C@H]1C ZINC001178746539 799609134 /nfs/dbraw/zinc/60/91/34/799609134.db2.gz IRTPJTYJZJPUIB-RLFYNMQTSA-N 2 1 345.491 2.335 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)[C@H]1C ZINC001178746539 799609138 /nfs/dbraw/zinc/60/91/38/799609138.db2.gz IRTPJTYJZJPUIB-RLFYNMQTSA-N 2 1 345.491 2.335 20 30 EEEDMP C=CCC[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000786435417 806776073 /nfs/dbraw/zinc/77/60/73/806776073.db2.gz FVHAZIGSUKVJQK-UHFFFAOYSA-N 2 1 330.476 2.275 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001003624067 799904214 /nfs/dbraw/zinc/90/42/14/799904214.db2.gz KPAYKUXGGMUSKP-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)C2)C1 ZINC001181763725 800896407 /nfs/dbraw/zinc/89/64/07/800896407.db2.gz IHPMZPZSDHEHPB-AQBMVDHDSA-N 2 1 345.531 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)C2)C1 ZINC001181763725 800896414 /nfs/dbraw/zinc/89/64/14/800896414.db2.gz IHPMZPZSDHEHPB-AQBMVDHDSA-N 2 1 345.531 2.204 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001085819874 801358496 /nfs/dbraw/zinc/35/84/96/801358496.db2.gz KMUAKFCSGDQEDV-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001085819874 801358502 /nfs/dbraw/zinc/35/85/02/801358502.db2.gz KMUAKFCSGDQEDV-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001108216241 801486529 /nfs/dbraw/zinc/48/65/29/801486529.db2.gz VDSXDYLAWNCIOV-IBGZPJMESA-N 2 1 339.524 2.138 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004443570 802055699 /nfs/dbraw/zinc/05/56/99/802055699.db2.gz SEAAQEZLJNCJPS-BHIYHBOVSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004443570 802055706 /nfs/dbraw/zinc/05/57/06/802055706.db2.gz SEAAQEZLJNCJPS-BHIYHBOVSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004443570 802055712 /nfs/dbraw/zinc/05/57/12/802055712.db2.gz SEAAQEZLJNCJPS-BHIYHBOVSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC001185169450 802373278 /nfs/dbraw/zinc/37/32/78/802373278.db2.gz LQQLVFPDIDLHFU-JKSUJKDBSA-N 2 1 346.475 2.144 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185234887 802435742 /nfs/dbraw/zinc/43/57/42/802435742.db2.gz JOUIHSRZBPOMSG-QZTJIDSGSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086389594 802876513 /nfs/dbraw/zinc/87/65/13/802876513.db2.gz SNZXIQPJFGXAOI-LFGUQSLTSA-N 2 1 339.483 2.330 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086389594 802876516 /nfs/dbraw/zinc/87/65/16/802876516.db2.gz SNZXIQPJFGXAOI-LFGUQSLTSA-N 2 1 339.483 2.330 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001169465192 803778872 /nfs/dbraw/zinc/77/88/72/803778872.db2.gz ZQNUQHVERFVTEB-HNNXBMFYSA-N 2 1 327.432 2.332 20 30 EEEDMP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797687 804053050 /nfs/dbraw/zinc/05/30/50/804053050.db2.gz IYRWSKICJGCWSR-KGLIPLIRSA-N 2 1 346.313 2.254 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623492 810910231 /nfs/dbraw/zinc/91/02/31/810910231.db2.gz HLVTWLGEXLFKCT-RBUKOAKNSA-N 2 1 327.472 2.243 20 30 EEEDMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001130710824 811959506 /nfs/dbraw/zinc/95/95/06/811959506.db2.gz GCLSKUYVNLGDNV-GOSISDBHSA-N 2 1 346.450 2.024 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001130710824 811959511 /nfs/dbraw/zinc/95/95/11/811959511.db2.gz GCLSKUYVNLGDNV-GOSISDBHSA-N 2 1 346.450 2.024 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001438442964 1090945158 /nfs/dbraw/zinc/94/51/58/1090945158.db2.gz FLPLYRBXBAAHBO-SHTZXODSSA-N 2 1 348.516 2.479 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)cc1 ZINC001438937608 1091621675 /nfs/dbraw/zinc/62/16/75/1091621675.db2.gz MFEPCUWLKSZBBK-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001438937608 1091621682 /nfs/dbraw/zinc/62/16/82/1091621682.db2.gz MFEPCUWLKSZBBK-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001438937608 1091621686 /nfs/dbraw/zinc/62/16/86/1091621686.db2.gz MFEPCUWLKSZBBK-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001439260602 1091912970 /nfs/dbraw/zinc/91/29/70/1091912970.db2.gz NSGBOVLNJIIQOA-ZDUSSCGKSA-N 2 1 345.472 2.234 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001443841079 1098354777 /nfs/dbraw/zinc/35/47/77/1098354777.db2.gz PHBRQHSGCKIVQF-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001443841079 1098354784 /nfs/dbraw/zinc/35/47/84/1098354784.db2.gz PHBRQHSGCKIVQF-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001443841079 1098354792 /nfs/dbraw/zinc/35/47/92/1098354792.db2.gz PHBRQHSGCKIVQF-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444310476 1098867528 /nfs/dbraw/zinc/86/75/28/1098867528.db2.gz PXTJRQPWPJPYES-VQIMIIECSA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(Br)C[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001480264529 1099952736 /nfs/dbraw/zinc/95/27/36/1099952736.db2.gz FCWBPHBVVOLHMN-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[NH+]1CCC[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001480264529 1099952745 /nfs/dbraw/zinc/95/27/45/1099952745.db2.gz FCWBPHBVVOLHMN-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001480264529 1099952753 /nfs/dbraw/zinc/95/27/53/1099952753.db2.gz FCWBPHBVVOLHMN-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001480264529 1099952762 /nfs/dbraw/zinc/95/27/62/1099952762.db2.gz FCWBPHBVVOLHMN-AWEZNQCLSA-N 2 1 346.313 2.065 20 30 EEEDMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001499526880 1112342623 /nfs/dbraw/zinc/34/26/23/1112342623.db2.gz AXWFGUUDZJFEHZ-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001499526880 1112342627 /nfs/dbraw/zinc/34/26/27/1112342627.db2.gz AXWFGUUDZJFEHZ-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001499526880 1112342632 /nfs/dbraw/zinc/34/26/32/1112342632.db2.gz AXWFGUUDZJFEHZ-IBGZPJMESA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)C ZINC000341297128 465098115 /nfs/dbraw/zinc/09/81/15/465098115.db2.gz LXSNVLYKBMTUCX-NZSAHSFTSA-N 2 1 348.535 2.467 20 30 EEEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000358429971 465116896 /nfs/dbraw/zinc/11/68/96/465116896.db2.gz RPOHUUHVACILRP-KRWDZBQOSA-N 2 1 336.524 2.438 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000296936131 465240173 /nfs/dbraw/zinc/24/01/73/465240173.db2.gz PGXJJAOMRGEPCB-LJQANCHMSA-N 2 1 342.487 2.078 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)C(C)C ZINC000159651158 463297837 /nfs/dbraw/zinc/29/78/37/463297837.db2.gz YJNCQZDCVBDFKW-SFHVURJKSA-N 2 1 336.524 2.422 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000139058229 463317235 /nfs/dbraw/zinc/31/72/35/463317235.db2.gz NFXPBTNREBLDSS-WMZOPIPTSA-N 2 1 334.508 2.153 20 30 EEEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000104166537 463409030 /nfs/dbraw/zinc/40/90/30/463409030.db2.gz GNSUKKIHJHQCBV-NVXWUHKLSA-N 2 1 348.491 2.161 20 30 EEEDMP COc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1C#N ZINC000289724878 464092668 /nfs/dbraw/zinc/09/26/68/464092668.db2.gz HLGNORKQRIAWSQ-UHFFFAOYSA-N 2 1 330.476 2.025 20 30 EEEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C1 ZINC000264063610 464278691 /nfs/dbraw/zinc/27/86/91/464278691.db2.gz DNHALMCAXXUPSD-INIZCTEOSA-N 2 1 330.476 2.065 20 30 EEEDMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000264071785 464280159 /nfs/dbraw/zinc/28/01/59/464280159.db2.gz DLCKQKKAAFWMLA-INIZCTEOSA-N 2 1 345.535 2.422 20 30 EEEDMP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1C#N ZINC000281729605 464562118 /nfs/dbraw/zinc/56/21/18/464562118.db2.gz PRQWPKOKTJTVSU-INIZCTEOSA-N 2 1 329.444 2.157 20 30 EEEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc[nH+]1 ZINC000331864356 466281328 /nfs/dbraw/zinc/28/13/28/466281328.db2.gz JDKXBEXVCGTMCS-UGUYLWEFSA-N 2 1 346.454 2.131 20 30 EEEDMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000530337023 467976755 /nfs/dbraw/zinc/97/67/55/467976755.db2.gz AYAXSWFCSUWOLM-PMPSAXMXSA-N 2 1 332.492 2.180 20 30 EEEDMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000530337023 467976757 /nfs/dbraw/zinc/97/67/57/467976757.db2.gz AYAXSWFCSUWOLM-PMPSAXMXSA-N 2 1 332.492 2.180 20 30 EEEDMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610511857 468990566 /nfs/dbraw/zinc/99/05/66/468990566.db2.gz QKPWZMDGMDITLL-LJQANCHMSA-N 2 1 345.487 2.299 20 30 EEEDMP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602794800 469080562 /nfs/dbraw/zinc/08/05/62/469080562.db2.gz PDARDJXALIXWIC-UHFFFAOYSA-N 2 1 342.487 2.443 20 30 EEEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccccc1C#N ZINC000599299753 469198251 /nfs/dbraw/zinc/19/82/51/469198251.db2.gz JUDPYUUPELVELS-QZTJIDSGSA-N 2 1 331.460 2.104 20 30 EEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccccc1C#N ZINC000599299753 469198259 /nfs/dbraw/zinc/19/82/59/469198259.db2.gz JUDPYUUPELVELS-QZTJIDSGSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccccc1C#N ZINC000599299753 469198266 /nfs/dbraw/zinc/19/82/66/469198266.db2.gz JUDPYUUPELVELS-QZTJIDSGSA-N 2 1 331.460 2.104 20 30 EEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccccc1C#N ZINC000599299753 469198272 /nfs/dbraw/zinc/19/82/72/469198272.db2.gz JUDPYUUPELVELS-QZTJIDSGSA-N 2 1 331.460 2.104 20 30 EEEDMP C[N@H+]1CCN(CCC[NH2+]Cc2cccc(C#N)n2)[C@@H](c2ccccc2)C1 ZINC000602507147 469342610 /nfs/dbraw/zinc/34/26/10/469342610.db2.gz BTEWRIAGXOSQRO-OAQYLSRUSA-N 2 1 349.482 2.422 20 30 EEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000614402391 469930871 /nfs/dbraw/zinc/93/08/71/469930871.db2.gz XCMMNQVKIAFXTI-FQEVSTJZSA-N 2 1 326.488 2.467 20 30 EEEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000614403310 469932146 /nfs/dbraw/zinc/93/21/46/469932146.db2.gz QZSWNLFAYCWYIS-PXNSSMCTSA-N 2 1 326.488 2.325 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000625323395 470118905 /nfs/dbraw/zinc/11/89/05/470118905.db2.gz WVESOBWNBZJFAY-UXHICEINSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000644669299 485499022 /nfs/dbraw/zinc/49/90/22/485499022.db2.gz VPNNRALZGZOKAK-IEBWSBKVSA-N 2 1 332.488 2.476 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000291923132 526929556 /nfs/dbraw/zinc/92/95/56/526929556.db2.gz RWERIFDWZUNICJ-FXAWDEMLSA-N 2 1 339.483 2.111 20 30 EEEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000729684182 576672192 /nfs/dbraw/zinc/67/21/92/576672192.db2.gz KQOJWZCXKLHKJF-KRWDZBQOSA-N 2 1 330.476 2.095 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420225 675867398 /nfs/dbraw/zinc/86/73/98/675867398.db2.gz MREGAZPJPZZHNK-GOEBONIOSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CC[N@H+](CC)C2)CC1 ZINC001039249541 676266291 /nfs/dbraw/zinc/26/62/91/676266291.db2.gz BIVJHEWPXXCLTF-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620947 676274808 /nfs/dbraw/zinc/27/48/08/676274808.db2.gz YFJPYAXGXUBRHE-MAUKXSAKSA-N 2 1 346.475 2.239 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620947 676274809 /nfs/dbraw/zinc/27/48/09/676274809.db2.gz YFJPYAXGXUBRHE-MAUKXSAKSA-N 2 1 346.475 2.239 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001022220447 676742380 /nfs/dbraw/zinc/74/23/80/676742380.db2.gz DOWJMBNEEWSARB-ZCNNSNEGSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001022220447 676742381 /nfs/dbraw/zinc/74/23/81/676742381.db2.gz DOWJMBNEEWSARB-ZCNNSNEGSA-N 2 1 339.483 2.138 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC000971736499 676768274 /nfs/dbraw/zinc/76/82/74/676768274.db2.gz QAVVYBXPDHPROO-OALUTQOASA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC000971736499 676768275 /nfs/dbraw/zinc/76/82/75/676768275.db2.gz QAVVYBXPDHPROO-OALUTQOASA-N 2 1 342.487 2.177 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023422140 679301254 /nfs/dbraw/zinc/30/12/54/679301254.db2.gz KUXFAMFJZYUROX-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023422140 679301257 /nfs/dbraw/zinc/30/12/57/679301257.db2.gz KUXFAMFJZYUROX-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023422140 679301258 /nfs/dbraw/zinc/30/12/58/679301258.db2.gz KUXFAMFJZYUROX-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023422140 679301260 /nfs/dbraw/zinc/30/12/60/679301260.db2.gz KUXFAMFJZYUROX-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001024666709 681327677 /nfs/dbraw/zinc/32/76/77/681327677.db2.gz SMZYNWXNMQECLA-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001024666709 681327680 /nfs/dbraw/zinc/32/76/80/681327680.db2.gz SMZYNWXNMQECLA-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001024666709 681327686 /nfs/dbraw/zinc/32/76/86/681327686.db2.gz SMZYNWXNMQECLA-ZCNNSNEGSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832299 681350677 /nfs/dbraw/zinc/35/06/77/681350677.db2.gz WRGSBQDIEAYGLN-QGZVKYPTSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982834441 681356954 /nfs/dbraw/zinc/35/69/54/681356954.db2.gz ZSCXTGZFOZIMBX-SESVDKBCSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982616018 681801393 /nfs/dbraw/zinc/80/13/93/681801393.db2.gz AJRKJAVQJLEKBC-BGYRXZFFSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755574 682109552 /nfs/dbraw/zinc/10/95/52/682109552.db2.gz QISJQUDCSQYPIG-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755574 682109554 /nfs/dbraw/zinc/10/95/54/682109554.db2.gz QISJQUDCSQYPIG-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755574 682109557 /nfs/dbraw/zinc/10/95/57/682109557.db2.gz QISJQUDCSQYPIG-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025245060 682323805 /nfs/dbraw/zinc/32/38/05/682323805.db2.gz ZJIGHCILSVGNON-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000974804890 685555262 /nfs/dbraw/zinc/55/52/62/685555262.db2.gz XLAHPBCUHJNEFF-QGZVFWFLSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001028906898 682460953 /nfs/dbraw/zinc/46/09/53/682460953.db2.gz YFQZRKHFMLIAOW-INIZCTEOSA-N 2 1 339.443 2.285 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460759 682824074 /nfs/dbraw/zinc/82/40/74/682824074.db2.gz MCVVJIQAINWGQZ-LSDHHAIUSA-N 2 1 334.464 2.143 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460759 682824077 /nfs/dbraw/zinc/82/40/77/682824077.db2.gz MCVVJIQAINWGQZ-LSDHHAIUSA-N 2 1 334.464 2.143 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591386 683061394 /nfs/dbraw/zinc/06/13/94/683061394.db2.gz BCAUKNSAUALRNC-XLIONFOSSA-N 2 1 345.531 2.348 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NC2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC001026605186 684782074 /nfs/dbraw/zinc/78/20/74/684782074.db2.gz GKZJMTQWZMBSRX-VIQWUECVSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008505482 684798924 /nfs/dbraw/zinc/79/89/24/684798924.db2.gz AFXDNQNDJWAKGJ-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008505482 684798927 /nfs/dbraw/zinc/79/89/27/684798927.db2.gz AFXDNQNDJWAKGJ-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008505482 684798931 /nfs/dbraw/zinc/79/89/31/684798931.db2.gz AFXDNQNDJWAKGJ-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP C[NH+]=C(NCc1cccc(Cl)c1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262423164 685995593 /nfs/dbraw/zinc/99/55/93/685995593.db2.gz GIUKSVUCOUECOF-INIZCTEOSA-N 2 1 340.924 2.442 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001029766622 687034612 /nfs/dbraw/zinc/03/46/12/687034612.db2.gz FHXJQWZPJAMJSA-RBUKOAKNSA-N 2 1 342.487 2.179 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000985516423 687085025 /nfs/dbraw/zinc/08/50/25/687085025.db2.gz OPWULIGRQXHAEG-OAHLLOKOSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000985516423 687085026 /nfs/dbraw/zinc/08/50/26/687085026.db2.gz OPWULIGRQXHAEG-OAHLLOKOSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000985516423 687085029 /nfs/dbraw/zinc/08/50/29/687085029.db2.gz OPWULIGRQXHAEG-OAHLLOKOSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989610128 692076580 /nfs/dbraw/zinc/07/65/80/692076580.db2.gz XWXYCNHHELSSBN-HOCLYGCPSA-N 2 1 325.416 2.036 20 30 EEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C(C)(C)C1 ZINC000977449416 692634354 /nfs/dbraw/zinc/63/43/54/692634354.db2.gz JPRLCRZLIWJEMI-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977449416 692634358 /nfs/dbraw/zinc/63/43/58/692634358.db2.gz JPRLCRZLIWJEMI-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001027578575 693203068 /nfs/dbraw/zinc/20/30/68/693203068.db2.gz NWHHXCLKWZSBRC-OALUTQOASA-N 2 1 342.487 2.321 20 30 EEEDMP CC(C)[C@H](C(=O)NCC[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001267226967 1178544257 /nfs/dbraw/zinc/54/42/57/1178544257.db2.gz XWCNVGAERAHMPF-GOSISDBHSA-N 2 1 349.906 2.326 20 30 EEEDMP CC(C)[C@H](C(=O)NCC[N@@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001267226967 1178544262 /nfs/dbraw/zinc/54/42/62/1178544262.db2.gz XWCNVGAERAHMPF-GOSISDBHSA-N 2 1 349.906 2.326 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001088381348 1186747407 /nfs/dbraw/zinc/74/74/07/1186747407.db2.gz CHMLQMQXLQUMNL-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431137 1186870440 /nfs/dbraw/zinc/87/04/40/1186870440.db2.gz JMMIDFYDNAUYJV-RBUKOAKNSA-N 2 1 327.472 2.283 20 30 EEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431136 1186870479 /nfs/dbraw/zinc/87/04/79/1186870479.db2.gz JMMIDFYDNAUYJV-OALUTQOASA-N 2 1 327.472 2.283 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105572514 1188186972 /nfs/dbraw/zinc/18/69/72/1188186972.db2.gz TYGXTDBJVUQLSR-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105571835 1188192781 /nfs/dbraw/zinc/19/27/81/1188192781.db2.gz ABZTWELFHOLMJG-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[N@H+](CC)CCO2)CCC1 ZINC001105578737 1188194957 /nfs/dbraw/zinc/19/49/57/1188194957.db2.gz GDXONXIIKBRQEC-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[N@@H+](CC)CCO2)CCC1 ZINC001105578737 1188194959 /nfs/dbraw/zinc/19/49/59/1188194959.db2.gz GDXONXIIKBRQEC-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000843815138 1188619433 /nfs/dbraw/zinc/61/94/33/1188619433.db2.gz PDUVDNVGMCQZLS-RLLQIKCJSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000843815138 1188619436 /nfs/dbraw/zinc/61/94/36/1188619436.db2.gz PDUVDNVGMCQZLS-RLLQIKCJSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000843815138 1188619438 /nfs/dbraw/zinc/61/94/38/1188619438.db2.gz PDUVDNVGMCQZLS-RLLQIKCJSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000843815138 1188619441 /nfs/dbraw/zinc/61/94/41/1188619441.db2.gz PDUVDNVGMCQZLS-RLLQIKCJSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000843815138 1188619442 /nfs/dbraw/zinc/61/94/42/1188619442.db2.gz PDUVDNVGMCQZLS-RLLQIKCJSA-N 2 1 339.483 2.111 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415739 1194536453 /nfs/dbraw/zinc/53/64/53/1194536453.db2.gz KGIKNIRFRBCVJV-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033415739 1194536455 /nfs/dbraw/zinc/53/64/55/1194536455.db2.gz KGIKNIRFRBCVJV-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033415739 1194536460 /nfs/dbraw/zinc/53/64/60/1194536460.db2.gz KGIKNIRFRBCVJV-CRAIPNDOSA-N 2 1 325.472 2.308 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033698958 1195109073 /nfs/dbraw/zinc/10/90/73/1195109073.db2.gz GSZIGAZOLKNOEZ-INIZCTEOSA-N 2 1 331.460 2.291 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033698958 1195109076 /nfs/dbraw/zinc/10/90/76/1195109076.db2.gz GSZIGAZOLKNOEZ-INIZCTEOSA-N 2 1 331.460 2.291 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001033777254 1195261303 /nfs/dbraw/zinc/26/13/03/1195261303.db2.gz UDHSSRRMXPGMJZ-VQTJNVASSA-N 2 1 339.483 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001005518493 1195896997 /nfs/dbraw/zinc/89/69/97/1195896997.db2.gz MSIMKEDIKFIHMK-SFHVURJKSA-N 2 1 345.512 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001005518493 1195896999 /nfs/dbraw/zinc/89/69/99/1195896999.db2.gz MSIMKEDIKFIHMK-SFHVURJKSA-N 2 1 345.512 2.269 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468590 1196255855 /nfs/dbraw/zinc/25/58/55/1196255855.db2.gz RVJYMQSJFLPHGG-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468590 1196255858 /nfs/dbraw/zinc/25/58/58/1196255858.db2.gz RVJYMQSJFLPHGG-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001411217645 1198927371 /nfs/dbraw/zinc/92/73/71/1198927371.db2.gz QHLXIBWINSKKGO-CYBMUJFWSA-N 2 1 348.329 2.357 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132348968 1199611849 /nfs/dbraw/zinc/61/18/49/1199611849.db2.gz VVEXFGWXBRVUKZ-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132348968 1199611851 /nfs/dbraw/zinc/61/18/51/1199611851.db2.gz VVEXFGWXBRVUKZ-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132368996 1199622225 /nfs/dbraw/zinc/62/22/25/1199622225.db2.gz SFVGKIBCOFZTHJ-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132368996 1199622233 /nfs/dbraw/zinc/62/22/33/1199622233.db2.gz SFVGKIBCOFZTHJ-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001132933112 1200209514 /nfs/dbraw/zinc/20/95/14/1200209514.db2.gz OOHIWUAKDYASNE-CVEARBPZSA-N 2 1 348.491 2.390 20 30 EEEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001275589427 1205432894 /nfs/dbraw/zinc/43/28/94/1205432894.db2.gz SQDBEHFZZLNYJP-SFHVURJKSA-N 2 1 332.517 2.469 20 30 EEEDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001275828611 1205553871 /nfs/dbraw/zinc/55/38/71/1205553871.db2.gz CKXLNLYPKQMDNA-UHFFFAOYSA-N 2 1 326.488 2.408 20 30 EEEDMP C[NH+](C)CCN1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001275828611 1205553873 /nfs/dbraw/zinc/55/38/73/1205553873.db2.gz CKXLNLYPKQMDNA-UHFFFAOYSA-N 2 1 326.488 2.408 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947537141 1208611181 /nfs/dbraw/zinc/61/11/81/1208611181.db2.gz LMZQQXVGOZNHOT-JKSUJKDBSA-N 2 1 339.443 2.426 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(=C)C)[C@@H](C)C2)CC1 ZINC000948070700 1208854390 /nfs/dbraw/zinc/85/43/90/1208854390.db2.gz RHDXROGRYHQFOZ-PKOBYXMFSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948417046 1209125948 /nfs/dbraw/zinc/12/59/48/1209125948.db2.gz VTZTYBGEGYLKCQ-INIZCTEOSA-N 2 1 333.501 2.369 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948436609 1209137086 /nfs/dbraw/zinc/13/70/86/1209137086.db2.gz XSQRFFBXKOQDNR-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948436609 1209137087 /nfs/dbraw/zinc/13/70/87/1209137087.db2.gz XSQRFFBXKOQDNR-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948436609 1209137089 /nfs/dbraw/zinc/13/70/89/1209137089.db2.gz XSQRFFBXKOQDNR-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(Cc2cccc(C#N)c2)CC1 ZINC000948850385 1209415816 /nfs/dbraw/zinc/41/58/16/1209415816.db2.gz IVZFTDKEQHSBDI-LJQANCHMSA-N 2 1 340.471 2.077 20 30 EEEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])N3CCCCC3)cc2)CC1 ZINC000303877845 1213917198 /nfs/dbraw/zinc/91/71/98/1213917198.db2.gz FRZKCXZQECJQJJ-UHFFFAOYSA-N 2 1 343.519 2.125 20 30 EEEDMP C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960485250 1216619733 /nfs/dbraw/zinc/61/97/33/1216619733.db2.gz CJCLVQULKMGORE-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000960485250 1216619738 /nfs/dbraw/zinc/61/97/38/1216619738.db2.gz CJCLVQULKMGORE-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000960485250 1216619741 /nfs/dbraw/zinc/61/97/41/1216619741.db2.gz CJCLVQULKMGORE-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960487734 1216622409 /nfs/dbraw/zinc/62/24/09/1216622409.db2.gz PFPXGRLXXSDUFK-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960487734 1216622413 /nfs/dbraw/zinc/62/24/13/1216622413.db2.gz PFPXGRLXXSDUFK-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000960487734 1216622415 /nfs/dbraw/zinc/62/24/15/1216622415.db2.gz PFPXGRLXXSDUFK-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000960487734 1216622419 /nfs/dbraw/zinc/62/24/19/1216622419.db2.gz PFPXGRLXXSDUFK-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961154976 1217061425 /nfs/dbraw/zinc/06/14/25/1217061425.db2.gz ILBJIPJUWXNSEU-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961204808 1217088336 /nfs/dbraw/zinc/08/83/36/1217088336.db2.gz ZTDJKSAAUOKKTR-ZWKOTPCHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961204808 1217088338 /nfs/dbraw/zinc/08/83/38/1217088338.db2.gz ZTDJKSAAUOKKTR-ZWKOTPCHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3cncn3C)C2)C1 ZINC000961262851 1217116685 /nfs/dbraw/zinc/11/66/85/1217116685.db2.gz QNXBATGIYYKYEF-DLBZAZTESA-N 2 1 330.476 2.099 20 30 EEEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1CC ZINC001037872897 1219733296 /nfs/dbraw/zinc/73/32/96/1219733296.db2.gz NLCRRRPXWDDPTG-SJLPKXTDSA-N 2 1 333.520 2.489 20 30 EEEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1CC ZINC001037952825 1220692247 /nfs/dbraw/zinc/69/22/47/1220692247.db2.gz WVWVOURTKGAKNA-YJBOKZPZSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C)CC1 ZINC000968681955 1221487805 /nfs/dbraw/zinc/48/78/05/1221487805.db2.gz NMWGGQOFNKPXJL-PXNSSMCTSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913901 1221665118 /nfs/dbraw/zinc/66/51/18/1221665118.db2.gz LNSJEBASTLOEIM-SFHVURJKSA-N 2 1 331.504 2.247 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000968954766 1221699241 /nfs/dbraw/zinc/69/92/41/1221699241.db2.gz PXBYGMKBBUJZAV-MSOLQXFVSA-N 2 1 345.874 2.128 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000968954766 1221699243 /nfs/dbraw/zinc/69/92/43/1221699243.db2.gz PXBYGMKBBUJZAV-MSOLQXFVSA-N 2 1 345.874 2.128 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007906226 1222495617 /nfs/dbraw/zinc/49/56/17/1222495617.db2.gz GRAAKIYEZKYJGZ-HNNXBMFYSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001016332820 1226356013 /nfs/dbraw/zinc/35/60/13/1226356013.db2.gz SUYMXOAVMHVHDF-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001016336091 1226359638 /nfs/dbraw/zinc/35/96/38/1226359638.db2.gz IBUOFZJBERHQDP-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016664406 1226749717 /nfs/dbraw/zinc/74/97/17/1226749717.db2.gz XBXOETSWBGAXTG-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555192 1227516556 /nfs/dbraw/zinc/51/65/56/1227516556.db2.gz KWJIVFOMGOJCFW-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555192 1227516560 /nfs/dbraw/zinc/51/65/60/1227516560.db2.gz KWJIVFOMGOJCFW-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555192 1227516562 /nfs/dbraw/zinc/51/65/62/1227516562.db2.gz KWJIVFOMGOJCFW-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039133390 1230343727 /nfs/dbraw/zinc/34/37/27/1230343727.db2.gz GVFIXZHPFVIHQC-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001039138919 1230353307 /nfs/dbraw/zinc/35/33/07/1230353307.db2.gz YRXSUMACSDDFIH-UXHICEINSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039138919 1230353310 /nfs/dbraw/zinc/35/33/10/1230353310.db2.gz YRXSUMACSDDFIH-UXHICEINSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001039138919 1230353315 /nfs/dbraw/zinc/35/33/15/1230353315.db2.gz YRXSUMACSDDFIH-UXHICEINSA-N 2 1 345.531 2.158 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039143990 1230362674 /nfs/dbraw/zinc/36/26/74/1230362674.db2.gz FQWBJDNNNRAPDN-PMACEKPBSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039145255 1230364453 /nfs/dbraw/zinc/36/44/53/1230364453.db2.gz XVDGJOFCQULLBI-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039145255 1230364459 /nfs/dbraw/zinc/36/44/59/1230364459.db2.gz XVDGJOFCQULLBI-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039168016 1230391862 /nfs/dbraw/zinc/39/18/62/1230391862.db2.gz JVTJOVJKEURYLK-FQEVSTJZSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039249563 1230486049 /nfs/dbraw/zinc/48/60/49/1230486049.db2.gz CADDMEAYNSHBBB-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474309 1230638014 /nfs/dbraw/zinc/63/80/14/1230638014.db2.gz AWAIYXRIJZFHDC-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC2CCC2)CC1 ZINC001040014239 1230964193 /nfs/dbraw/zinc/96/41/93/1230964193.db2.gz HXXWAVXPHGJSRW-BGYRXZFFSA-N 2 1 343.515 2.197 20 30 EEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240452 1231125293 /nfs/dbraw/zinc/12/52/93/1231125293.db2.gz GHBCPIONBUUNDL-LPHOPBHVSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240452 1231125294 /nfs/dbraw/zinc/12/52/94/1231125294.db2.gz GHBCPIONBUUNDL-LPHOPBHVSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040242690 1231127377 /nfs/dbraw/zinc/12/73/77/1231127377.db2.gz ZSIFGGNUFUGJPN-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040242690 1231127381 /nfs/dbraw/zinc/12/73/81/1231127381.db2.gz ZSIFGGNUFUGJPN-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040242690 1231127384 /nfs/dbraw/zinc/12/73/84/1231127384.db2.gz ZSIFGGNUFUGJPN-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040259731 1231137436 /nfs/dbraw/zinc/13/74/36/1231137436.db2.gz ZHGGUCZEAFMFEW-LJQANCHMSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040423727 1231222781 /nfs/dbraw/zinc/22/27/81/1231222781.db2.gz UZBGTKHZLDLEAL-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040423727 1231222784 /nfs/dbraw/zinc/22/27/84/1231222784.db2.gz UZBGTKHZLDLEAL-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001041288484 1231496696 /nfs/dbraw/zinc/49/66/96/1231496696.db2.gz XGABIMVQOCZTRM-RXVVDRJESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041288484 1231496700 /nfs/dbraw/zinc/49/67/00/1231496700.db2.gz XGABIMVQOCZTRM-RXVVDRJESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041288484 1231496702 /nfs/dbraw/zinc/49/67/02/1231496702.db2.gz XGABIMVQOCZTRM-RXVVDRJESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782584 1231691930 /nfs/dbraw/zinc/69/19/30/1231691930.db2.gz AQFGJVQUQRTPPC-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782584 1231691932 /nfs/dbraw/zinc/69/19/32/1231691932.db2.gz AQFGJVQUQRTPPC-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782584 1231691933 /nfs/dbraw/zinc/69/19/33/1231691933.db2.gz AQFGJVQUQRTPPC-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845576 1231728866 /nfs/dbraw/zinc/72/88/66/1231728866.db2.gz ISBFYTRPEJNYSO-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045939446 1234194802 /nfs/dbraw/zinc/19/48/02/1234194802.db2.gz BGXGDCVIEMDNJX-PZJWPPBQSA-N 2 1 343.515 2.056 20 30 EEEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000900418945 1234336489 /nfs/dbraw/zinc/33/64/89/1234336489.db2.gz RHYIBHGBZHNMDY-SFHVURJKSA-N 2 1 342.487 2.321 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047242870 1235731824 /nfs/dbraw/zinc/73/18/24/1235731824.db2.gz HQJRZNUDIHRQOE-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001047264206 1235775159 /nfs/dbraw/zinc/77/51/59/1235775159.db2.gz ICWJAVVJJUDSMM-IBGZPJMESA-N 2 1 342.487 2.165 20 30 EEEDMP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047266233 1235779699 /nfs/dbraw/zinc/77/96/99/1235779699.db2.gz UHLNUSSPTZKGOR-RBUKOAKNSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](C)F ZINC001048533239 1237896414 /nfs/dbraw/zinc/89/64/14/1237896414.db2.gz VFCZKTZIVDXHAM-OYSTVDSJSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)F ZINC001048533239 1237896423 /nfs/dbraw/zinc/89/64/23/1237896423.db2.gz VFCZKTZIVDXHAM-OYSTVDSJSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H](C)F ZINC001048533239 1237896431 /nfs/dbraw/zinc/89/64/31/1237896431.db2.gz VFCZKTZIVDXHAM-OYSTVDSJSA-N 2 1 349.494 2.191 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H](C)F ZINC001048533239 1237896445 /nfs/dbraw/zinc/89/64/45/1237896445.db2.gz VFCZKTZIVDXHAM-OYSTVDSJSA-N 2 1 349.494 2.191 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001048590714 1238043674 /nfs/dbraw/zinc/04/36/74/1238043674.db2.gz WEYPBATYFODYAM-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048590714 1238043681 /nfs/dbraw/zinc/04/36/81/1238043681.db2.gz WEYPBATYFODYAM-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048590714 1238043688 /nfs/dbraw/zinc/04/36/88/1238043688.db2.gz WEYPBATYFODYAM-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]2C1 ZINC001049057087 1239881120 /nfs/dbraw/zinc/88/11/20/1239881120.db2.gz LEELZXHMIKBEPR-BGYRXZFFSA-N 2 1 341.499 2.371 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232761 1240333010 /nfs/dbraw/zinc/33/30/10/1240333010.db2.gz YAGPGNDCBJGDQE-YHUYYLMFSA-N 2 1 325.884 2.002 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050067020 1242765423 /nfs/dbraw/zinc/76/54/23/1242765423.db2.gz KNPQTFFAQWHZLW-GBESFXJTSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067020 1242765431 /nfs/dbraw/zinc/76/54/31/1242765431.db2.gz KNPQTFFAQWHZLW-GBESFXJTSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067020 1242765438 /nfs/dbraw/zinc/76/54/38/1242765438.db2.gz KNPQTFFAQWHZLW-GBESFXJTSA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050728770 1244228951 /nfs/dbraw/zinc/22/89/51/1244228951.db2.gz VGCKUKWPIFNMQL-HNNXBMFYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731277 1244859538 /nfs/dbraw/zinc/85/95/38/1244859538.db2.gz NSDXJTALYUCLLV-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731277 1244859547 /nfs/dbraw/zinc/85/95/47/1244859547.db2.gz NSDXJTALYUCLLV-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731277 1244859558 /nfs/dbraw/zinc/85/95/58/1244859558.db2.gz NSDXJTALYUCLLV-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[NH+]1CCc2c(CNC(=O)[C@H]3CC[N@H+](C)C3)cccc2C1 ZINC001051307132 1245512820 /nfs/dbraw/zinc/51/28/20/1245512820.db2.gz MUJRBWGUWBPMNQ-SFHVURJKSA-N 2 1 327.472 2.189 20 30 EEEDMP C=CCC[N@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307132 1245512831 /nfs/dbraw/zinc/51/28/31/1245512831.db2.gz MUJRBWGUWBPMNQ-SFHVURJKSA-N 2 1 327.472 2.189 20 30 EEEDMP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307132 1245512838 /nfs/dbraw/zinc/51/28/38/1245512838.db2.gz MUJRBWGUWBPMNQ-SFHVURJKSA-N 2 1 327.472 2.189 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052958009 1245555001 /nfs/dbraw/zinc/55/50/01/1245555001.db2.gz KSZUKPJZZJPXRL-GOSISDBHSA-N 2 1 327.472 2.356 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046585 1245762947 /nfs/dbraw/zinc/76/29/47/1245762947.db2.gz LFHKZIZTWQBXOT-WOJBJXKFSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487214 1245891522 /nfs/dbraw/zinc/89/15/22/1245891522.db2.gz SZPPJHFPBGRACB-QUCCMNQESA-N 2 1 327.472 2.085 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487214 1245891531 /nfs/dbraw/zinc/89/15/31/1245891531.db2.gz SZPPJHFPBGRACB-QUCCMNQESA-N 2 1 327.472 2.085 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487214 1245891542 /nfs/dbraw/zinc/89/15/42/1245891542.db2.gz SZPPJHFPBGRACB-QUCCMNQESA-N 2 1 327.472 2.085 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487214 1245891551 /nfs/dbraw/zinc/89/15/51/1245891551.db2.gz SZPPJHFPBGRACB-QUCCMNQESA-N 2 1 327.472 2.085 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)O2 ZINC001053621600 1246545035 /nfs/dbraw/zinc/54/50/35/1246545035.db2.gz IKTMHWFKMBKLRI-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380964 1247161013 /nfs/dbraw/zinc/16/10/13/1247161013.db2.gz GUYVRUSWUCPUDE-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052380964 1247161016 /nfs/dbraw/zinc/16/10/16/1247161016.db2.gz GUYVRUSWUCPUDE-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052380964 1247161020 /nfs/dbraw/zinc/16/10/20/1247161020.db2.gz GUYVRUSWUCPUDE-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134566 1247487416 /nfs/dbraw/zinc/48/74/16/1247487416.db2.gz HXGVAZGSRHJANI-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134566 1247487421 /nfs/dbraw/zinc/48/74/21/1247487421.db2.gz HXGVAZGSRHJANI-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134566 1247487425 /nfs/dbraw/zinc/48/74/25/1247487425.db2.gz HXGVAZGSRHJANI-NUJGCVRESA-N 2 1 339.911 2.394 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186432 1247654887 /nfs/dbraw/zinc/65/48/87/1247654887.db2.gz SDNMTNFIIWRCDS-FQEVSTJZSA-N 2 1 343.471 2.293 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054229520 1247787965 /nfs/dbraw/zinc/78/79/65/1247787965.db2.gz XPIPAGZNNMCFAI-IBGZPJMESA-N 2 1 331.504 2.363 20 30 EEEDMP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270543 1247957873 /nfs/dbraw/zinc/95/78/73/1247957873.db2.gz RPAVQRYPMFDWTP-LJQANCHMSA-N 2 1 325.456 2.126 20 30 EEEDMP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270543 1247957883 /nfs/dbraw/zinc/95/78/83/1247957883.db2.gz RPAVQRYPMFDWTP-LJQANCHMSA-N 2 1 325.456 2.126 20 30 EEEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270543 1247957891 /nfs/dbraw/zinc/95/78/91/1247957891.db2.gz RPAVQRYPMFDWTP-LJQANCHMSA-N 2 1 325.456 2.126 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071828790 1254689320 /nfs/dbraw/zinc/68/93/20/1254689320.db2.gz UHZXBSWSFYFINO-YLJYHZDGSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099002460 1257926116 /nfs/dbraw/zinc/92/61/16/1257926116.db2.gz ZKLODMGHHYFNKW-ZWOKBUDYSA-N 2 1 342.487 2.301 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099002460 1257926120 /nfs/dbraw/zinc/92/61/20/1257926120.db2.gz ZKLODMGHHYFNKW-ZWOKBUDYSA-N 2 1 342.487 2.301 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001185659923 1278734367 /nfs/dbraw/zinc/73/43/67/1278734367.db2.gz TVNQPOUAQJFWLV-QAPCUYQASA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644971 1280992475 /nfs/dbraw/zinc/99/24/75/1280992475.db2.gz ONNFOLHITMBHOE-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001190644971 1280992477 /nfs/dbraw/zinc/99/24/77/1280992477.db2.gz ONNFOLHITMBHOE-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001190644971 1280992478 /nfs/dbraw/zinc/99/24/78/1280992478.db2.gz ONNFOLHITMBHOE-RTBURBONSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001192960060 1282246412 /nfs/dbraw/zinc/24/64/12/1282246412.db2.gz MPSTWVCTIKXKPO-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCC(C)C)CC2)CC1 ZINC001198236784 1285048292 /nfs/dbraw/zinc/04/82/92/1285048292.db2.gz YSGCYQSLMOKKFU-UHFFFAOYSA-N 2 1 333.520 2.302 20 30 EEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198959405 1285443287 /nfs/dbraw/zinc/44/32/87/1285443287.db2.gz AQBFMHLITOGRGL-WMZOPIPTSA-N 2 1 345.487 2.360 20 30 EEEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201931543 1289803562 /nfs/dbraw/zinc/80/35/62/1289803562.db2.gz LZTAMGPLHKXHCI-SFHVURJKSA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746482 1294111116 /nfs/dbraw/zinc/11/11/16/1294111116.db2.gz PDFZOVAUBLPGQN-KURKYZTESA-N 2 1 328.460 2.206 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](C/C=C\Cl)C2)CC1 ZINC001072094772 1295234184 /nfs/dbraw/zinc/23/41/84/1295234184.db2.gz CBNYLEIBSQTYIZ-PSQXPXBKSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](C/C=C\Cl)C2)CC1 ZINC001072094772 1295234191 /nfs/dbraw/zinc/23/41/91/1295234191.db2.gz CBNYLEIBSQTYIZ-PSQXPXBKSA-N 2 1 337.895 2.053 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921742 1296223023 /nfs/dbraw/zinc/22/30/23/1296223023.db2.gz JKVRCTLLJYIUOI-RCCFBDPRSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001103007218 1302057507 /nfs/dbraw/zinc/05/75/07/1302057507.db2.gz GDBBESOSZWVQOO-KZNAEPCWSA-N 2 1 344.503 2.494 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001103007218 1302057517 /nfs/dbraw/zinc/05/75/17/1302057517.db2.gz GDBBESOSZWVQOO-KZNAEPCWSA-N 2 1 344.503 2.494 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237213 1302556831 /nfs/dbraw/zinc/55/68/31/1302556831.db2.gz MRGRVDWTRRVAAU-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237213 1302556842 /nfs/dbraw/zinc/55/68/42/1302556842.db2.gz MRGRVDWTRRVAAU-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001230575513 1303289094 /nfs/dbraw/zinc/28/90/94/1303289094.db2.gz OXEDJSOEHYBUPC-GOSISDBHSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230575513 1303289099 /nfs/dbraw/zinc/28/90/99/1303289099.db2.gz OXEDJSOEHYBUPC-GOSISDBHSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230575513 1303289104 /nfs/dbraw/zinc/28/91/04/1303289104.db2.gz OXEDJSOEHYBUPC-GOSISDBHSA-N 2 1 333.520 2.443 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591745 1303299776 /nfs/dbraw/zinc/29/97/76/1303299776.db2.gz IJGDPWYWGHJQHL-INIZCTEOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=CCCC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccnc1 ZINC001230918023 1303545339 /nfs/dbraw/zinc/54/53/39/1303545339.db2.gz GAEDDWJTNUWPFV-LJQANCHMSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCCC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230918023 1303545345 /nfs/dbraw/zinc/54/53/45/1303545345.db2.gz GAEDDWJTNUWPFV-LJQANCHMSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCCC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230918023 1303545351 /nfs/dbraw/zinc/54/53/51/1303545351.db2.gz GAEDDWJTNUWPFV-LJQANCHMSA-N 2 1 344.503 2.308 20 30 EEEDMP C#Cc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001231656922 1303882804 /nfs/dbraw/zinc/88/28/04/1303882804.db2.gz IZYRFXXKLUPKAE-NHCUHLMSSA-N 2 1 334.467 2.355 20 30 EEEDMP C#Cc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001231656922 1303882809 /nfs/dbraw/zinc/88/28/09/1303882809.db2.gz IZYRFXXKLUPKAE-NHCUHLMSSA-N 2 1 334.467 2.355 20 30 EEEDMP C#Cc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001231656922 1303882815 /nfs/dbraw/zinc/88/28/15/1303882815.db2.gz IZYRFXXKLUPKAE-NHCUHLMSSA-N 2 1 334.467 2.355 20 30 EEEDMP C#Cc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001231656922 1303882820 /nfs/dbraw/zinc/88/28/20/1303882820.db2.gz IZYRFXXKLUPKAE-NHCUHLMSSA-N 2 1 334.467 2.355 20 30 EEEDMP CCOCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277858376 1304930563 /nfs/dbraw/zinc/93/05/63/1304930563.db2.gz ORIWHQYMLOSHCB-HDICACEKSA-N 2 1 330.476 2.077 20 30 EEEDMP CCOCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277858376 1304930565 /nfs/dbraw/zinc/93/05/65/1304930565.db2.gz ORIWHQYMLOSHCB-HDICACEKSA-N 2 1 330.476 2.077 20 30 EEEDMP CCOCC[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277858376 1304930568 /nfs/dbraw/zinc/93/05/68/1304930568.db2.gz ORIWHQYMLOSHCB-HDICACEKSA-N 2 1 330.476 2.077 20 30 EEEDMP N#CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277940777 1305209414 /nfs/dbraw/zinc/20/94/14/1305209414.db2.gz GFEXFFNETGYTLL-AZUAARDMSA-N 2 1 344.503 2.089 20 30 EEEDMP CCCCCCCCN(CC[NH3+])[C@@H]1C[NH2+][C@](CC)(C(=O)OC)C1 ZINC001246308764 1310277956 /nfs/dbraw/zinc/27/79/56/1310277956.db2.gz SDGNYUGDNFJHHM-WMZOPIPTSA-N 2 1 327.513 2.291 20 30 EEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C#CC1CC1 ZINC000837458115 1315084594 /nfs/dbraw/zinc/08/45/94/1315084594.db2.gz PRNKIONIILEDAN-UHFFFAOYSA-N 2 1 331.504 2.055 20 30 EEEDMP CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714959 1316352648 /nfs/dbraw/zinc/35/26/48/1316352648.db2.gz IWNCWRJCDUSFES-SFHVURJKSA-N 2 1 339.524 2.260 20 30 EEEDMP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001151388088 1316518556 /nfs/dbraw/zinc/51/85/56/1316518556.db2.gz UWCVSYYECWBVIH-UHFFFAOYSA-N 2 1 339.524 2.282 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001152147369 1316638473 /nfs/dbraw/zinc/63/84/73/1316638473.db2.gz MLHKZEGYJUYNRX-IYBDPMFKSA-N 2 1 347.890 2.270 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824561 1316893471 /nfs/dbraw/zinc/89/34/71/1316893471.db2.gz UEUPHUKDMXTOIR-BEFAXECRSA-N 2 1 342.487 2.225 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC001252848934 1317704118 /nfs/dbraw/zinc/70/41/18/1317704118.db2.gz WMYJJUWHMORLIV-HXUWFJFHSA-N 2 1 347.478 2.151 20 30 EEEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155834368 1317755978 /nfs/dbraw/zinc/75/59/78/1317755978.db2.gz VOINXSDOONWRGF-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155834368 1317755982 /nfs/dbraw/zinc/75/59/82/1317755982.db2.gz VOINXSDOONWRGF-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC001155900580 1317782120 /nfs/dbraw/zinc/78/21/20/1317782120.db2.gz ZMJOYRBPSOOZAW-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[NH+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156199630 1317916453 /nfs/dbraw/zinc/91/64/53/1317916453.db2.gz DMBSCIHGOPKUGQ-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[NH+](Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156199630 1317916458 /nfs/dbraw/zinc/91/64/58/1317916458.db2.gz DMBSCIHGOPKUGQ-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C#N)ccc1F ZINC001156199630 1317916461 /nfs/dbraw/zinc/91/64/61/1317916461.db2.gz DMBSCIHGOPKUGQ-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C#N)ccc1F ZINC001156199630 1317916464 /nfs/dbraw/zinc/91/64/64/1317916464.db2.gz DMBSCIHGOPKUGQ-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374510 1317985414 /nfs/dbraw/zinc/98/54/14/1317985414.db2.gz QWHCMZMMMZERLI-CABCVRRESA-N 2 1 348.516 2.288 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374510 1317985415 /nfs/dbraw/zinc/98/54/15/1317985415.db2.gz QWHCMZMMMZERLI-CABCVRRESA-N 2 1 348.516 2.288 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374510 1317985416 /nfs/dbraw/zinc/98/54/16/1317985416.db2.gz QWHCMZMMMZERLI-CABCVRRESA-N 2 1 348.516 2.288 20 30 EEEDMP CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109993 1318415535 /nfs/dbraw/zinc/41/55/35/1318415535.db2.gz XGZUVMSEZQTFCN-QGZVFWFLSA-N 2 1 347.478 2.344 20 30 EEEDMP CC[NH+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157109993 1318415544 /nfs/dbraw/zinc/41/55/44/1318415544.db2.gz XGZUVMSEZQTFCN-QGZVFWFLSA-N 2 1 347.478 2.344 20 30 EEEDMP CC[NH+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157109993 1318415551 /nfs/dbraw/zinc/41/55/51/1318415551.db2.gz XGZUVMSEZQTFCN-QGZVFWFLSA-N 2 1 347.478 2.344 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1c(C)cccc1Cl ZINC001160209544 1320099736 /nfs/dbraw/zinc/09/97/36/1320099736.db2.gz PSTVKQYDRQJCPV-SFHVURJKSA-N 2 1 347.890 2.342 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1c(C)cccc1Cl ZINC001160209544 1320099740 /nfs/dbraw/zinc/09/97/40/1320099740.db2.gz PSTVKQYDRQJCPV-SFHVURJKSA-N 2 1 347.890 2.342 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2COCCN2CCCC)CC1 ZINC001160778836 1320265987 /nfs/dbraw/zinc/26/59/87/1320265987.db2.gz QSWFZOYIZQFONI-LJQANCHMSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924807 1320678625 /nfs/dbraw/zinc/67/86/25/1320678625.db2.gz LXJKPWUJPATPMU-HDICACEKSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924807 1320678629 /nfs/dbraw/zinc/67/86/29/1320678629.db2.gz LXJKPWUJPATPMU-HDICACEKSA-N 2 1 349.519 2.200 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924807 1320678633 /nfs/dbraw/zinc/67/86/33/1320678633.db2.gz LXJKPWUJPATPMU-HDICACEKSA-N 2 1 349.519 2.200 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001161987327 1320709406 /nfs/dbraw/zinc/70/94/06/1320709406.db2.gz WRFHGPYKVRZASO-UHFFFAOYSA-N 2 1 339.483 2.280 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001161987327 1320709407 /nfs/dbraw/zinc/70/94/07/1320709407.db2.gz WRFHGPYKVRZASO-UHFFFAOYSA-N 2 1 339.483 2.280 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001161987327 1320709411 /nfs/dbraw/zinc/70/94/11/1320709411.db2.gz WRFHGPYKVRZASO-UHFFFAOYSA-N 2 1 339.483 2.280 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001161987327 1320709415 /nfs/dbraw/zinc/70/94/15/1320709415.db2.gz WRFHGPYKVRZASO-UHFFFAOYSA-N 2 1 339.483 2.280 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001162982967 1321004645 /nfs/dbraw/zinc/00/46/45/1321004645.db2.gz SXFIXJRPEZUFJH-FQEVSTJZSA-N 2 1 341.499 2.012 20 30 EEEDMP C=CCCC[NH2+]CC1(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001165911979 1321615572 /nfs/dbraw/zinc/61/55/72/1321615572.db2.gz JLSMOFNLDRXNFO-UHFFFAOYSA-N 2 1 334.464 2.192 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001166758145 1321782579 /nfs/dbraw/zinc/78/25/79/1321782579.db2.gz DYNYLCKFIWCRGO-UHFFFAOYSA-N 2 1 346.450 2.025 20 30 EEEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](C[C@H]2CCCCO2)CC3)cc1C#N ZINC001276442658 1322050004 /nfs/dbraw/zinc/05/00/04/1322050004.db2.gz DYQUIFIZXHCAIQ-LJQANCHMSA-N 2 1 342.487 2.364 20 30 EEEDMP CN(C)CC[NH+]1CCC2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001276463215 1322142496 /nfs/dbraw/zinc/14/24/96/1322142496.db2.gz FHLLLRFKSHCOCD-UHFFFAOYSA-N 2 1 343.519 2.136 20 30 EEEDMP Cn1cc(C[N@@H+]2CCCC3(CCN(CC[NH+](C)C)CC3)C2)cc1C#N ZINC001276463215 1322142499 /nfs/dbraw/zinc/14/24/99/1322142499.db2.gz FHLLLRFKSHCOCD-UHFFFAOYSA-N 2 1 343.519 2.136 20 30 EEEDMP Cn1cc(C[N@H+]2CCCC3(CCN(CC[NH+](C)C)CC3)C2)cc1C#N ZINC001276463215 1322142505 /nfs/dbraw/zinc/14/25/05/1322142505.db2.gz FHLLLRFKSHCOCD-UHFFFAOYSA-N 2 1 343.519 2.136 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458455 1323144979 /nfs/dbraw/zinc/14/49/79/1323144979.db2.gz MLJUXGFDBRHKIS-RBUKOAKNSA-N 2 1 345.462 2.073 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1CC#Cc1ccc(F)cc1 ZINC001316606867 1324599853 /nfs/dbraw/zinc/59/98/53/1324599853.db2.gz LYPOZTRKKJVVSJ-IBGZPJMESA-N 2 1 345.462 2.052 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001100674027 1338627612 /nfs/dbraw/zinc/62/76/12/1338627612.db2.gz JQIWGJAXGCWWRH-MNNVXMFVSA-N 2 1 340.471 2.027 20 30 EEEDMP N#Cc1cccc(CNC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC001580075990 1344466752 /nfs/dbraw/zinc/46/67/52/1344466752.db2.gz MQAVREMZADTJEM-OALUTQOASA-N 2 1 340.471 2.029 20 30 EEEDMP N#Cc1cccc(CNC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC001580075990 1344466755 /nfs/dbraw/zinc/46/67/55/1344466755.db2.gz MQAVREMZADTJEM-OALUTQOASA-N 2 1 340.471 2.029 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCCc2cc(-c3nn[nH]n3)ccc21 ZINC001588349704 1348893788 /nfs/dbraw/zinc/89/37/88/1348893788.db2.gz WDVJEKDJDIOTAD-GOSISDBHSA-N 2 1 338.459 2.179 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCCc2cc(-c3nn[nH]n3)ccc21 ZINC001588349704 1348893792 /nfs/dbraw/zinc/89/37/92/1348893792.db2.gz WDVJEKDJDIOTAD-GOSISDBHSA-N 2 1 338.459 2.179 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100678324 1373117307 /nfs/dbraw/zinc/11/73/07/1373117307.db2.gz HJXLCMWPGKXHDA-MQBCKMQZSA-N 2 1 345.890 2.436 20 30 EEEDMP C=CCNC(=[NH2+])NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000849076552 1373203887 /nfs/dbraw/zinc/20/38/87/1373203887.db2.gz LDTFBJWDRGAAOF-CALCHBBNSA-N 2 1 344.503 2.496 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@@H]([NH2+]Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001366033714 1373792134 /nfs/dbraw/zinc/79/21/34/1373792134.db2.gz HUVNUVIBPZDFJP-LJQANCHMSA-N 2 1 340.471 2.027 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001367837776 1374281030 /nfs/dbraw/zinc/28/10/30/1374281030.db2.gz UQMZNCZZQWXUEA-MAUKXSAKSA-N 2 1 330.476 2.081 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001370906480 1375116028 /nfs/dbraw/zinc/11/60/28/1375116028.db2.gz UXOBJDXQMFJKCW-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001370906480 1375116030 /nfs/dbraw/zinc/11/60/30/1375116030.db2.gz UXOBJDXQMFJKCW-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001370906480 1375116033 /nfs/dbraw/zinc/11/60/33/1375116033.db2.gz UXOBJDXQMFJKCW-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001373844111 1376560619 /nfs/dbraw/zinc/56/06/19/1376560619.db2.gz UWKKAFKQVKYPEB-MRXNPFEDSA-N 2 1 346.500 2.233 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001375562010 1377850618 /nfs/dbraw/zinc/85/06/18/1377850618.db2.gz QAHQLHWGPAVBAT-QAQDUYKDSA-N 2 1 335.879 2.355 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001375562010 1377850622 /nfs/dbraw/zinc/85/06/22/1377850622.db2.gz QAHQLHWGPAVBAT-QAQDUYKDSA-N 2 1 335.879 2.355 20 30 EEEDMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001378568832 1380071329 /nfs/dbraw/zinc/07/13/29/1380071329.db2.gz OLLVSJYSBFDWDL-CQSZACIVSA-N 2 1 346.450 2.024 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cc(C#N)ccc1F ZINC001390915445 1388874516 /nfs/dbraw/zinc/87/45/16/1388874516.db2.gz POHADLDQBYISAC-SFHVURJKSA-N 2 1 348.466 2.222 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cc(C#N)ccc1F ZINC001390915445 1388874523 /nfs/dbraw/zinc/87/45/23/1388874523.db2.gz POHADLDQBYISAC-SFHVURJKSA-N 2 1 348.466 2.222 20 30 EEEDMP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001391650459 1389500494 /nfs/dbraw/zinc/50/04/94/1389500494.db2.gz PLNFTPKLNVLSRU-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001391650459 1389500497 /nfs/dbraw/zinc/50/04/97/1389500497.db2.gz PLNFTPKLNVLSRU-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001391650459 1389500501 /nfs/dbraw/zinc/50/05/01/1389500501.db2.gz PLNFTPKLNVLSRU-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001391650459 1389500504 /nfs/dbraw/zinc/50/05/04/1389500504.db2.gz PLNFTPKLNVLSRU-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001392879630 1390232664 /nfs/dbraw/zinc/23/26/64/1390232664.db2.gz RGEZVJJDDBAWGO-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001392879630 1390232665 /nfs/dbraw/zinc/23/26/65/1390232665.db2.gz RGEZVJJDDBAWGO-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001752853748 1406488696 /nfs/dbraw/zinc/48/86/96/1406488696.db2.gz SFEYVHZARIQQCM-UHFFFAOYSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC001755097261 1407109816 /nfs/dbraw/zinc/10/98/16/1407109816.db2.gz BWOKGQGIFCNMMN-SJORKVTESA-N 2 1 337.508 2.080 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001424523198 1401150621 /nfs/dbraw/zinc/15/06/21/1401150621.db2.gz WHQVOLIUUITFKN-CQSZACIVSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001424523198 1401150629 /nfs/dbraw/zinc/15/06/29/1401150629.db2.gz WHQVOLIUUITFKN-CQSZACIVSA-N 2 1 327.900 2.297 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC#Cc1ccccc1 ZINC001755201363 1407210524 /nfs/dbraw/zinc/21/05/24/1407210524.db2.gz QJPRIPDXKVMYAZ-HXUWFJFHSA-N 2 1 341.499 2.303 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC#Cc1ccccc1 ZINC001755201363 1407210531 /nfs/dbraw/zinc/21/05/31/1407210531.db2.gz QJPRIPDXKVMYAZ-HXUWFJFHSA-N 2 1 341.499 2.303 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC#Cc1ccccc1 ZINC001755201363 1407210535 /nfs/dbraw/zinc/21/05/35/1407210535.db2.gz QJPRIPDXKVMYAZ-HXUWFJFHSA-N 2 1 341.499 2.303 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001725169169 1405784854 /nfs/dbraw/zinc/78/48/54/1405784854.db2.gz FYPQRPUATWWBSB-MJGOQNOKSA-N 2 1 329.488 2.061 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001725169169 1405784863 /nfs/dbraw/zinc/78/48/63/1405784863.db2.gz FYPQRPUATWWBSB-MJGOQNOKSA-N 2 1 329.488 2.061 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H](C)CCC=C)CC1 ZINC001755530777 1407596985 /nfs/dbraw/zinc/59/69/85/1407596985.db2.gz OGQJHYANBNFRFD-HKUYNNGSSA-N 2 1 331.504 2.362 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H](C)CCC=C)CC1 ZINC001755530777 1407596989 /nfs/dbraw/zinc/59/69/89/1407596989.db2.gz OGQJHYANBNFRFD-HKUYNNGSSA-N 2 1 331.504 2.362 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@@H](C)CCC=C)CC1 ZINC001755530777 1407596994 /nfs/dbraw/zinc/59/69/94/1407596994.db2.gz OGQJHYANBNFRFD-HKUYNNGSSA-N 2 1 331.504 2.362 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@@H](C)CCC=C)CC1 ZINC001755530777 1407596998 /nfs/dbraw/zinc/59/69/98/1407596998.db2.gz OGQJHYANBNFRFD-HKUYNNGSSA-N 2 1 331.504 2.362 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@H]21 ZINC001755708190 1407761755 /nfs/dbraw/zinc/76/17/55/1407761755.db2.gz LEZWXQVGAWVBTM-MISYRCLQSA-N 2 1 345.531 2.491 20 30 EEEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000691565044 1410397633 /nfs/dbraw/zinc/39/76/33/1410397633.db2.gz WVMGCZONESFSEJ-MOPGFXCFSA-N 2 1 342.487 2.426 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544485 1410728773 /nfs/dbraw/zinc/72/87/73/1410728773.db2.gz UOEBSQVOXAOJJP-QRVBRYPASA-N 2 1 335.536 2.450 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cncc3C)CC2)CC1 ZINC001075455855 760778248 /nfs/dbraw/zinc/77/82/48/760778248.db2.gz SBTMKFBXPAFDIN-GOSISDBHSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC001075455855 760778252 /nfs/dbraw/zinc/77/82/52/760778252.db2.gz SBTMKFBXPAFDIN-GOSISDBHSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC001075455855 760778258 /nfs/dbraw/zinc/77/82/58/760778258.db2.gz SBTMKFBXPAFDIN-GOSISDBHSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087302899 761540228 /nfs/dbraw/zinc/54/02/28/761540228.db2.gz BYPXDZAVKMKIRZ-NEWSRXKRSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087302899 761540235 /nfs/dbraw/zinc/54/02/35/761540235.db2.gz BYPXDZAVKMKIRZ-NEWSRXKRSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087302899 761540243 /nfs/dbraw/zinc/54/02/43/761540243.db2.gz BYPXDZAVKMKIRZ-NEWSRXKRSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC000979715802 770939829 /nfs/dbraw/zinc/93/98/29/770939829.db2.gz RXSKNNYOTVBTOA-OTWHNJEPSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980221668 774114498 /nfs/dbraw/zinc/11/44/98/774114498.db2.gz RVXIAKFKQUPFIN-SLFFLAALSA-N 2 1 345.531 2.347 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001167815314 774989879 /nfs/dbraw/zinc/98/98/79/774989879.db2.gz QUZJSXUBTJIRJF-UHFFFAOYSA-N 2 1 342.487 2.276 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000947722019 775836223 /nfs/dbraw/zinc/83/62/23/775836223.db2.gz CVCXKWGHWHNJNE-HUUCEWRRSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000947722019 775836232 /nfs/dbraw/zinc/83/62/32/775836232.db2.gz CVCXKWGHWHNJNE-HUUCEWRRSA-N 2 1 332.448 2.039 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723196 775932909 /nfs/dbraw/zinc/93/29/09/775932909.db2.gz SLUMLWOEVJUQTR-YLJYHZDGSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000981326924 777151656 /nfs/dbraw/zinc/15/16/56/777151656.db2.gz MHZALGWHEUETFC-LJQANCHMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000981326924 777151659 /nfs/dbraw/zinc/15/16/59/777151659.db2.gz MHZALGWHEUETFC-LJQANCHMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000981326924 777151663 /nfs/dbraw/zinc/15/16/63/777151663.db2.gz MHZALGWHEUETFC-LJQANCHMSA-N 2 1 349.519 2.130 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000981456544 777443939 /nfs/dbraw/zinc/44/39/39/777443939.db2.gz CLBGFHUQQPOFOV-QGZVFWFLSA-N 2 1 346.500 2.138 20 30 EEEDMP CN1CCCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000981456544 777443944 /nfs/dbraw/zinc/44/39/44/777443944.db2.gz CLBGFHUQQPOFOV-QGZVFWFLSA-N 2 1 346.500 2.138 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1CCC)CCO2 ZINC000949108823 778507733 /nfs/dbraw/zinc/50/77/33/778507733.db2.gz YFTKKOZHYKUYIO-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151773 778521628 /nfs/dbraw/zinc/52/16/28/778521628.db2.gz IAMGYFPWFVCRNL-OTWHNJEPSA-N 2 1 327.472 2.098 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982473647 779131556 /nfs/dbraw/zinc/13/15/56/779131556.db2.gz ZKNVJPSCQSVYJK-NRSPTQNISA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982473647 779131564 /nfs/dbraw/zinc/13/15/64/779131564.db2.gz ZKNVJPSCQSVYJK-NRSPTQNISA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982473647 779131569 /nfs/dbraw/zinc/13/15/69/779131569.db2.gz ZKNVJPSCQSVYJK-NRSPTQNISA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947359686 779374899 /nfs/dbraw/zinc/37/48/99/779374899.db2.gz AZRHMFUZAQJHIJ-GOEBONIOSA-N 2 1 333.501 2.416 20 30 EEEDMP CC[N+](C)(C)Cc1ccccc1NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001171256850 790700888 /nfs/dbraw/zinc/70/08/88/790700888.db2.gz MUZXYGHFDNJYOO-UHFFFAOYSA-O 2 1 325.436 2.419 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713610 779541287 /nfs/dbraw/zinc/54/12/87/779541287.db2.gz RLEMFQCHSCSHCX-RBUKOAKNSA-N 2 1 329.488 2.489 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCC(=C)C)C[C@]2(C)C1 ZINC000982298419 779621373 /nfs/dbraw/zinc/62/13/73/779621373.db2.gz DQXCKUAIJWYURM-SESVDKBCSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCC(=C)C)C[C@]2(C)C1 ZINC000982298419 779621376 /nfs/dbraw/zinc/62/13/76/779621376.db2.gz DQXCKUAIJWYURM-SESVDKBCSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCC(=C)C)C[C@]2(C)C1 ZINC000982298419 779621379 /nfs/dbraw/zinc/62/13/79/779621379.db2.gz DQXCKUAIJWYURM-SESVDKBCSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCC(=C)C)C[C@]2(C)C1 ZINC000982298419 779621383 /nfs/dbraw/zinc/62/13/83/779621383.db2.gz DQXCKUAIJWYURM-SESVDKBCSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982300170 779623897 /nfs/dbraw/zinc/62/38/97/779623897.db2.gz UYLKHRXFTGYJNZ-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300170 779623898 /nfs/dbraw/zinc/62/38/98/779623898.db2.gz UYLKHRXFTGYJNZ-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300170 779623900 /nfs/dbraw/zinc/62/39/00/779623900.db2.gz UYLKHRXFTGYJNZ-RLLQIKCJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087574248 781867450 /nfs/dbraw/zinc/86/74/50/781867450.db2.gz YXOCOXHLIMRFLM-HRCADAONSA-N 2 1 325.884 2.050 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087574248 781867454 /nfs/dbraw/zinc/86/74/54/781867454.db2.gz YXOCOXHLIMRFLM-HRCADAONSA-N 2 1 325.884 2.050 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945332284 783929545 /nfs/dbraw/zinc/92/95/45/783929545.db2.gz BXVWWJDJCCYFHU-DOTOQJQBSA-N 2 1 331.460 2.195 20 30 EEEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035721712 785017680 /nfs/dbraw/zinc/01/76/80/785017680.db2.gz YVUZSRKWJZRXLT-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccnc1C ZINC001089909693 789828516 /nfs/dbraw/zinc/82/85/16/789828516.db2.gz YELRFLKCOFUTCA-NXOAAHMSSA-N 2 1 348.878 2.113 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089909693 789828523 /nfs/dbraw/zinc/82/85/23/789828523.db2.gz YELRFLKCOFUTCA-NXOAAHMSSA-N 2 1 348.878 2.113 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146338903 791192316 /nfs/dbraw/zinc/19/23/16/791192316.db2.gz ISVYQLOJNRNOJJ-IAGOWNOFSA-N 2 1 338.455 2.116 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001146592809 791362549 /nfs/dbraw/zinc/36/25/49/791362549.db2.gz LMKAAPXJRZFBCD-HZPDHXFCSA-N 2 1 330.476 2.271 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998009252 791826228 /nfs/dbraw/zinc/82/62/28/791826228.db2.gz VEDXMUYOIJQYFW-CEXWTWQISA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998009252 791826234 /nfs/dbraw/zinc/82/62/34/791826234.db2.gz VEDXMUYOIJQYFW-CEXWTWQISA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998009252 791826239 /nfs/dbraw/zinc/82/62/39/791826239.db2.gz VEDXMUYOIJQYFW-CEXWTWQISA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3CC)C[C@]2(C)C1 ZINC001091684559 792224166 /nfs/dbraw/zinc/22/41/66/792224166.db2.gz JAISIXJFKAKMRT-QKLQHJQFSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684559 792224175 /nfs/dbraw/zinc/22/41/75/792224175.db2.gz JAISIXJFKAKMRT-QKLQHJQFSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684559 792224183 /nfs/dbraw/zinc/22/41/83/792224183.db2.gz JAISIXJFKAKMRT-QKLQHJQFSA-N 2 1 342.487 2.200 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCc3ccccc3)C2)C1 ZINC001148320727 792333315 /nfs/dbraw/zinc/33/33/15/792333315.db2.gz FRUSFEHNWNBQMQ-UHFFFAOYSA-N 2 1 341.499 2.271 20 30 EEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCc3ccccc3)C2)C1 ZINC001148320727 792333326 /nfs/dbraw/zinc/33/33/26/792333326.db2.gz FRUSFEHNWNBQMQ-UHFFFAOYSA-N 2 1 341.499 2.271 20 30 EEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCc3ccccc3)C2)C1 ZINC001148320727 792333336 /nfs/dbraw/zinc/33/33/36/792333336.db2.gz FRUSFEHNWNBQMQ-UHFFFAOYSA-N 2 1 341.499 2.271 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC000992149260 792927388 /nfs/dbraw/zinc/92/73/88/792927388.db2.gz NBLPUEUZZGHMNG-WSTZPKSXSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992149260 792927396 /nfs/dbraw/zinc/92/73/96/792927396.db2.gz NBLPUEUZZGHMNG-WSTZPKSXSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992149260 792927406 /nfs/dbraw/zinc/92/74/06/792927406.db2.gz NBLPUEUZZGHMNG-WSTZPKSXSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071200 793534643 /nfs/dbraw/zinc/53/46/43/793534643.db2.gz LNOUYQQWORRWBD-GGPKGHCWSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071200 793534648 /nfs/dbraw/zinc/53/46/48/793534648.db2.gz LNOUYQQWORRWBD-GGPKGHCWSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071200 793534655 /nfs/dbraw/zinc/53/46/55/793534655.db2.gz LNOUYQQWORRWBD-GGPKGHCWSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCCCC2)C1 ZINC000998929388 793572707 /nfs/dbraw/zinc/57/27/07/793572707.db2.gz UTOHEAMXXYUWJK-ACBHZAAOSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCCCC2)C1 ZINC000998929388 793572710 /nfs/dbraw/zinc/57/27/10/793572710.db2.gz UTOHEAMXXYUWJK-ACBHZAAOSA-N 2 1 331.504 2.243 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999406108 794420799 /nfs/dbraw/zinc/42/07/99/794420799.db2.gz KGIQPQUUSRBKTB-MNNVXMFVSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000999605630 794658908 /nfs/dbraw/zinc/65/89/08/794658908.db2.gz LVRDHNUKMKNYNF-UHFFFAOYSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992590 795244845 /nfs/dbraw/zinc/24/48/45/795244845.db2.gz ADPVOFXHBRDYGI-WMZOPIPTSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CC(OC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001093574833 795385157 /nfs/dbraw/zinc/38/51/57/795385157.db2.gz CDHYFIGKCGKANW-QGZVFWFLSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842523 795425469 /nfs/dbraw/zinc/42/54/69/795425469.db2.gz QKVYPWFIDGEBIM-PMACEKPBSA-N 2 1 339.483 2.308 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001094380061 796189306 /nfs/dbraw/zinc/18/93/06/796189306.db2.gz KXVBOHIUAAUSLZ-ZMSDIMECSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380061 796189309 /nfs/dbraw/zinc/18/93/09/796189309.db2.gz KXVBOHIUAAUSLZ-ZMSDIMECSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380061 796189313 /nfs/dbraw/zinc/18/93/13/796189313.db2.gz KXVBOHIUAAUSLZ-ZMSDIMECSA-N 2 1 325.884 2.194 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456553 796266026 /nfs/dbraw/zinc/26/60/26/796266026.db2.gz ICSDPQICZQYOSA-SFHLNBCPSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456553 796266031 /nfs/dbraw/zinc/26/60/31/796266031.db2.gz ICSDPQICZQYOSA-SFHLNBCPSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456553 796266035 /nfs/dbraw/zinc/26/60/35/796266035.db2.gz ICSDPQICZQYOSA-SFHLNBCPSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC(=C)Cl)C2)CC1 ZINC001036902136 796439937 /nfs/dbraw/zinc/43/99/37/796439937.db2.gz FTHUVCZDLFBQHE-QZTJIDSGSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCC(=C)C)C2)CC1 ZINC001036903032 796441266 /nfs/dbraw/zinc/44/12/66/796441266.db2.gz ULMWOKUAHJRCNJ-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902916 796441805 /nfs/dbraw/zinc/44/18/05/796441805.db2.gz SCARNJQWTCNXHU-UXHICEINSA-N 2 1 339.483 2.308 20 30 EEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171826744 796740993 /nfs/dbraw/zinc/74/09/93/796740993.db2.gz WBTUWUXSAWTRDT-INIZCTEOSA-N 2 1 330.476 2.050 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993622172 796847945 /nfs/dbraw/zinc/84/79/45/796847945.db2.gz NWQXUAWNSZGWCT-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993622172 796847947 /nfs/dbraw/zinc/84/79/47/796847947.db2.gz NWQXUAWNSZGWCT-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C[C@H](CCCC#N)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001172496583 797007558 /nfs/dbraw/zinc/00/75/58/797007558.db2.gz OGRPGZNRMIUSKE-HZPDHXFCSA-N 2 1 331.464 2.220 20 30 EEEDMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968394 797174564 /nfs/dbraw/zinc/17/45/64/797174564.db2.gz LIMGRKZSLWEXCK-CKUJCDMFSA-N 2 1 336.480 2.480 20 30 EEEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172990838 797175144 /nfs/dbraw/zinc/17/51/44/797175144.db2.gz RRZNQZHMUWMNBI-OAFZBRQQSA-N 2 1 348.491 2.162 20 30 EEEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172990838 797175148 /nfs/dbraw/zinc/17/51/48/797175148.db2.gz RRZNQZHMUWMNBI-OAFZBRQQSA-N 2 1 348.491 2.162 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCNc2ccc(C)c[nH+]2)CC1 ZINC000917097712 798075143 /nfs/dbraw/zinc/07/51/43/798075143.db2.gz GRIAOGXHWCZEQT-UHFFFAOYSA-N 2 1 331.464 2.142 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603683 798303441 /nfs/dbraw/zinc/30/34/41/798303441.db2.gz FQZYBAFPZOXTTQ-YZGWKJHDSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603683 798303448 /nfs/dbraw/zinc/30/34/48/798303448.db2.gz FQZYBAFPZOXTTQ-YZGWKJHDSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603683 798303455 /nfs/dbraw/zinc/30/34/55/798303455.db2.gz FQZYBAFPZOXTTQ-YZGWKJHDSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603835 798303671 /nfs/dbraw/zinc/30/36/71/798303671.db2.gz NHZGAOLXHGNBCP-MISYRCLQSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603835 798303677 /nfs/dbraw/zinc/30/36/77/798303677.db2.gz NHZGAOLXHGNBCP-MISYRCLQSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603835 798303684 /nfs/dbraw/zinc/30/36/84/798303684.db2.gz NHZGAOLXHGNBCP-MISYRCLQSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603835 798303690 /nfs/dbraw/zinc/30/36/90/798303690.db2.gz NHZGAOLXHGNBCP-MISYRCLQSA-N 2 1 343.515 2.340 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085032706 798625000 /nfs/dbraw/zinc/62/50/00/798625000.db2.gz VTGDEURPRLEVEE-BMFZPTHFSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085032706 798625005 /nfs/dbraw/zinc/62/50/05/798625005.db2.gz VTGDEURPRLEVEE-BMFZPTHFSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085032706 798625008 /nfs/dbraw/zinc/62/50/08/798625008.db2.gz VTGDEURPRLEVEE-BMFZPTHFSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085032706 798625012 /nfs/dbraw/zinc/62/50/12/798625012.db2.gz VTGDEURPRLEVEE-BMFZPTHFSA-N 2 1 325.884 2.004 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@H]21 ZINC001177056558 798719156 /nfs/dbraw/zinc/71/91/56/798719156.db2.gz XDZDRYSEBZAWDP-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@H]21 ZINC001177056558 798719159 /nfs/dbraw/zinc/71/91/59/798719159.db2.gz XDZDRYSEBZAWDP-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001177316783 798855829 /nfs/dbraw/zinc/85/58/29/798855829.db2.gz GZCDYPOSVOVRES-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC2CC2)CC1 ZINC001004460145 802127852 /nfs/dbraw/zinc/12/78/52/802127852.db2.gz XJHMNHZBEDIJQF-UXHICEINSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC2CC2)CC1 ZINC001004460145 802127858 /nfs/dbraw/zinc/12/78/58/802127858.db2.gz XJHMNHZBEDIJQF-UXHICEINSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004460145 802127862 /nfs/dbraw/zinc/12/78/62/802127862.db2.gz XJHMNHZBEDIJQF-UXHICEINSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004460145 802127866 /nfs/dbraw/zinc/12/78/66/802127866.db2.gz XJHMNHZBEDIJQF-UXHICEINSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141045 802316692 /nfs/dbraw/zinc/31/66/92/802316692.db2.gz JYRMTEUNDIRLNL-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033141045 802316700 /nfs/dbraw/zinc/31/67/00/802316700.db2.gz JYRMTEUNDIRLNL-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033141045 802316706 /nfs/dbraw/zinc/31/67/06/802316706.db2.gz JYRMTEUNDIRLNL-MOPGFXCFSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004549284 802351841 /nfs/dbraw/zinc/35/18/41/802351841.db2.gz XDSIBZYDUCJLBW-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001004549284 802351847 /nfs/dbraw/zinc/35/18/47/802351847.db2.gz XDSIBZYDUCJLBW-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001004549284 802351854 /nfs/dbraw/zinc/35/18/54/802351854.db2.gz XDSIBZYDUCJLBW-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC(=C)C)C[C@H]2CC1 ZINC000946627714 802365727 /nfs/dbraw/zinc/36/57/27/802365727.db2.gz BLKYFQWAPFCHNW-ZCNNSNEGSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC(=C)C)C[C@H]2CC1 ZINC000946627714 802365735 /nfs/dbraw/zinc/36/57/35/802365735.db2.gz BLKYFQWAPFCHNW-ZCNNSNEGSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC(=C)C)C[C@H]2CC1 ZINC000946627714 802365742 /nfs/dbraw/zinc/36/57/42/802365742.db2.gz BLKYFQWAPFCHNW-ZCNNSNEGSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC(=C)C)C[C@H]2CC1 ZINC000946627714 802365748 /nfs/dbraw/zinc/36/57/48/802365748.db2.gz BLKYFQWAPFCHNW-ZCNNSNEGSA-N 2 1 343.515 2.221 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004585795 802425899 /nfs/dbraw/zinc/42/58/99/802425899.db2.gz LGERDSJJQANYLA-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2cncn2C)CC1 ZINC001004595419 802447701 /nfs/dbraw/zinc/44/77/01/802447701.db2.gz GYSLDCBRDQOAHP-SFHVURJKSA-N 2 1 330.476 2.242 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004596531 802450774 /nfs/dbraw/zinc/45/07/74/802450774.db2.gz MWZOLOBQVOPHML-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004596531 802450778 /nfs/dbraw/zinc/45/07/78/802450778.db2.gz MWZOLOBQVOPHML-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004596531 802450782 /nfs/dbraw/zinc/45/07/82/802450782.db2.gz MWZOLOBQVOPHML-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCF)CC2)CC1 ZINC001004618136 802494537 /nfs/dbraw/zinc/49/45/37/802494537.db2.gz BLWPPRPMCUMSCI-IBGZPJMESA-N 2 1 349.494 2.004 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697038 802836721 /nfs/dbraw/zinc/83/67/21/802836721.db2.gz LOYJOBOBDSZBTI-OTWHNJEPSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001108419977 803511211 /nfs/dbraw/zinc/51/12/11/803511211.db2.gz UTGNUCHWHFIRAD-FQEVSTJZSA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449120 805476247 /nfs/dbraw/zinc/47/62/47/805476247.db2.gz FOYRHYPJYKEBKE-SQNIBIBYSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001086609614 810042864 /nfs/dbraw/zinc/04/28/64/810042864.db2.gz OPJNQKYGRILYKQ-YTQUADARSA-N 2 1 327.472 2.241 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609614 810042869 /nfs/dbraw/zinc/04/28/69/810042869.db2.gz OPJNQKYGRILYKQ-YTQUADARSA-N 2 1 327.472 2.241 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609614 810042872 /nfs/dbraw/zinc/04/28/72/810042872.db2.gz OPJNQKYGRILYKQ-YTQUADARSA-N 2 1 327.472 2.241 20 30 EEEDMP C=CCCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[N@H+](C)CC)C1 ZINC001130439407 811670643 /nfs/dbraw/zinc/67/06/43/811670643.db2.gz RPUYXBKBFPPJPT-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130439407 811670646 /nfs/dbraw/zinc/67/06/46/811670646.db2.gz RPUYXBKBFPPJPT-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130439407 811670653 /nfs/dbraw/zinc/67/06/53/811670653.db2.gz RPUYXBKBFPPJPT-MRXNPFEDSA-N 2 1 347.507 2.123 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001507329854 1115195811 /nfs/dbraw/zinc/19/58/11/1115195811.db2.gz WYURFPBJWRWUBP-ZIAGYGMSSA-N 2 1 334.489 2.041 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396218 781924341 /nfs/dbraw/zinc/92/43/41/781924341.db2.gz JRCFRMUFIDETBU-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105396746 781960435 /nfs/dbraw/zinc/96/04/35/781960435.db2.gz UUVILLYDZCBUEG-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396746 781960444 /nfs/dbraw/zinc/96/04/44/781960444.db2.gz UUVILLYDZCBUEG-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396746 781960450 /nfs/dbraw/zinc/96/04/50/781960450.db2.gz UUVILLYDZCBUEG-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000491617238 533099277 /nfs/dbraw/zinc/09/92/77/533099277.db2.gz CFVRPSZVQNTDMT-UHFFFAOYSA-N 2 1 342.365 2.154 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000130355455 533503230 /nfs/dbraw/zinc/50/32/30/533503230.db2.gz GLKRBGZWBUWOLW-UHFFFAOYSA-N 2 1 328.416 2.473 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130355455 533503236 /nfs/dbraw/zinc/50/32/36/533503236.db2.gz GLKRBGZWBUWOLW-UHFFFAOYSA-N 2 1 328.416 2.473 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528385630 268300092 /nfs/dbraw/zinc/30/00/92/268300092.db2.gz CAKAJPIVAMZZJM-RTBURBONSA-N 2 1 343.471 2.248 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528385630 268300095 /nfs/dbraw/zinc/30/00/95/268300095.db2.gz CAKAJPIVAMZZJM-RTBURBONSA-N 2 1 343.471 2.248 20 30 EEEDMP CC1(C)CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424139262 276126359 /nfs/dbraw/zinc/12/63/59/276126359.db2.gz ABJFKGYWORLEPI-QGZVFWFLSA-N 2 1 328.460 2.131 20 30 EEEDMP CC1(C)CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424139262 276126361 /nfs/dbraw/zinc/12/63/61/276126361.db2.gz ABJFKGYWORLEPI-QGZVFWFLSA-N 2 1 328.460 2.131 20 30 EEEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156402880 463019539 /nfs/dbraw/zinc/01/95/39/463019539.db2.gz VEELVFMALQKKHX-KSSFIOAISA-N 2 1 336.395 2.434 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000136300413 463232149 /nfs/dbraw/zinc/23/21/49/463232149.db2.gz ROHMPGXLFKSLCM-OAHLLOKOSA-N 2 1 331.464 2.245 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000136300413 463232154 /nfs/dbraw/zinc/23/21/54/463232154.db2.gz ROHMPGXLFKSLCM-OAHLLOKOSA-N 2 1 331.464 2.245 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2cccc(OC)c2)CC1 ZINC000290448261 464119086 /nfs/dbraw/zinc/11/90/86/464119086.db2.gz CJNBYAHFXUHQEZ-INIZCTEOSA-N 2 1 330.476 2.115 20 30 EEEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290753896 464130460 /nfs/dbraw/zinc/13/04/60/464130460.db2.gz YNPGCVBYSPOXNG-AEFFLSMTSA-N 2 1 332.492 2.228 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NC3CCCC3)c2)CCO1 ZINC000264134142 464286659 /nfs/dbraw/zinc/28/66/59/464286659.db2.gz ZAEWADRTYVOAEH-OAHLLOKOSA-N 2 1 330.476 2.254 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NC3CCCC3)c2)CCO1 ZINC000264134142 464286664 /nfs/dbraw/zinc/28/66/64/464286664.db2.gz ZAEWADRTYVOAEH-OAHLLOKOSA-N 2 1 330.476 2.254 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000182721581 464716111 /nfs/dbraw/zinc/71/61/11/464716111.db2.gz LQUOEZVJHRJYGJ-AEFFLSMTSA-N 2 1 334.508 2.153 20 30 EEEDMP CC#CCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000361634353 466164939 /nfs/dbraw/zinc/16/49/39/466164939.db2.gz AUCNCTOTJJBWDO-UHFFFAOYSA-N 2 1 348.535 2.238 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449120562 467619753 /nfs/dbraw/zinc/61/97/53/467619753.db2.gz DGONPQHFTDPTLY-HNNXBMFYSA-N 2 1 336.501 2.434 20 30 EEEDMP CC(C)(C#N)C[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000598611815 468933209 /nfs/dbraw/zinc/93/32/09/468933209.db2.gz PXQMVUBTMATGET-CEXWTWQISA-N 2 1 327.472 2.351 20 30 EEEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000598611815 468933213 /nfs/dbraw/zinc/93/32/13/468933213.db2.gz PXQMVUBTMATGET-CEXWTWQISA-N 2 1 327.472 2.351 20 30 EEEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000598611815 468933218 /nfs/dbraw/zinc/93/32/18/468933218.db2.gz PXQMVUBTMATGET-CEXWTWQISA-N 2 1 327.472 2.351 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660598357 471409569 /nfs/dbraw/zinc/40/95/69/471409569.db2.gz XJKVOZAVKOCOCR-SFHVURJKSA-N 2 1 348.535 2.448 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000730098553 576714233 /nfs/dbraw/zinc/71/42/33/576714233.db2.gz IRTVAXAQZZSBIK-SFHVURJKSA-N 2 1 343.496 2.272 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746637920 577931391 /nfs/dbraw/zinc/93/13/91/577931391.db2.gz UWGINGSRXGMASE-DLBZAZTESA-N 2 1 333.863 2.157 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001021090839 675716457 /nfs/dbraw/zinc/71/64/57/675716457.db2.gz LSRMDYWIXZKXJR-ZNZJMJLKSA-N 2 1 340.471 2.168 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637004 676292367 /nfs/dbraw/zinc/29/23/67/676292367.db2.gz VVIPSELAWKLMHS-QFBILLFUSA-N 2 1 336.439 2.284 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2cncn2C)C1 ZINC001021723195 676382595 /nfs/dbraw/zinc/38/25/95/676382595.db2.gz DCGMHROZAQFMQQ-SJLPKXTDSA-N 2 1 330.476 2.242 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001022071419 676637915 /nfs/dbraw/zinc/63/79/15/676637915.db2.gz PKQFBASZYLGLHH-CEXWTWQISA-N 2 1 340.471 2.168 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001022105860 676657546 /nfs/dbraw/zinc/65/75/46/676657546.db2.gz BJSGZQRIXMNPBJ-ZSYWTGECSA-N 2 1 340.471 2.025 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023464995 679324411 /nfs/dbraw/zinc/32/44/11/679324411.db2.gz JQGJVZHDJTXDCJ-HNNXBMFYSA-N 2 1 325.884 2.196 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023464995 679324412 /nfs/dbraw/zinc/32/44/12/679324412.db2.gz JQGJVZHDJTXDCJ-HNNXBMFYSA-N 2 1 325.884 2.196 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972583851 679356573 /nfs/dbraw/zinc/35/65/73/679356573.db2.gz ZKLSFGPMGLFVKC-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553126 679374346 /nfs/dbraw/zinc/37/43/46/679374346.db2.gz VWNGVYWHPHFLFS-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712469 681372786 /nfs/dbraw/zinc/37/27/86/681372786.db2.gz YXFKRZBNANWHJV-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc(-n4ccnc4)c3)C[C@@]2(C)C1 ZINC000982694411 682048856 /nfs/dbraw/zinc/04/88/56/682048856.db2.gz OEALBKDUWKWYKW-OYRHEFFESA-N 2 1 348.450 2.290 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001025629249 683160361 /nfs/dbraw/zinc/16/03/61/683160361.db2.gz DWCIDAZACWXREY-IEBWSBKVSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029107663 683161246 /nfs/dbraw/zinc/16/12/46/683161246.db2.gz BVQCQKPAYYXFKB-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029107663 683161249 /nfs/dbraw/zinc/16/12/49/683161249.db2.gz BVQCQKPAYYXFKB-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974864730 685640090 /nfs/dbraw/zinc/64/00/90/685640090.db2.gz QWBCSFGCFHVHTO-IBGZPJMESA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC000992746397 683361302 /nfs/dbraw/zinc/36/13/02/683361302.db2.gz WPMCTGQOFSOTCD-BHIYHBOVSA-N 2 1 345.531 2.489 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978616671 693750830 /nfs/dbraw/zinc/75/08/30/693750830.db2.gz PJBXNCZPCPCKPV-VQHPVUNQSA-N 2 1 339.911 2.155 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978616671 693750833 /nfs/dbraw/zinc/75/08/33/693750833.db2.gz PJBXNCZPCPCKPV-VQHPVUNQSA-N 2 1 339.911 2.155 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978616671 693750835 /nfs/dbraw/zinc/75/08/35/693750835.db2.gz PJBXNCZPCPCKPV-VQHPVUNQSA-N 2 1 339.911 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978800542 693903251 /nfs/dbraw/zinc/90/32/51/693903251.db2.gz RQSGJQYQXGODEH-NXOAAHMSSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978800542 693903255 /nfs/dbraw/zinc/90/32/55/693903255.db2.gz RQSGJQYQXGODEH-NXOAAHMSSA-N 2 1 339.911 2.296 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978800542 693903259 /nfs/dbraw/zinc/90/32/59/693903259.db2.gz RQSGJQYQXGODEH-NXOAAHMSSA-N 2 1 339.911 2.296 20 30 EEEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608717 685123096 /nfs/dbraw/zinc/12/30/96/685123096.db2.gz XXTMHKAIZWRRCH-FUHWJXTLSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608717 685123099 /nfs/dbraw/zinc/12/30/99/685123099.db2.gz XXTMHKAIZWRRCH-FUHWJXTLSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608717 685123101 /nfs/dbraw/zinc/12/31/01/685123101.db2.gz XXTMHKAIZWRRCH-FUHWJXTLSA-N 2 1 331.504 2.101 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001027062890 686020345 /nfs/dbraw/zinc/02/03/45/686020345.db2.gz DJFXRUVGMNOOBJ-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985328369 686331125 /nfs/dbraw/zinc/33/11/25/686331125.db2.gz SQDUCEMKTABRAW-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000985328369 686331130 /nfs/dbraw/zinc/33/11/30/686331130.db2.gz SQDUCEMKTABRAW-LJQANCHMSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027332420 687514987 /nfs/dbraw/zinc/51/49/87/687514987.db2.gz OZOXLSHKSUSYFL-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027332420 687514990 /nfs/dbraw/zinc/51/49/90/687514990.db2.gz OZOXLSHKSUSYFL-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988966340 691333102 /nfs/dbraw/zinc/33/31/02/691333102.db2.gz LEKXCCQLULIFHX-QAPCUYQASA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C(C)(C)C1 ZINC000977450043 692635951 /nfs/dbraw/zinc/63/59/51/692635951.db2.gz NCOTVYOSXBWZRV-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C(C)(C)C1 ZINC000977450043 692635952 /nfs/dbraw/zinc/63/59/52/692635952.db2.gz NCOTVYOSXBWZRV-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977450043 692635954 /nfs/dbraw/zinc/63/59/54/692635954.db2.gz NCOTVYOSXBWZRV-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977450043 692635956 /nfs/dbraw/zinc/63/59/56/692635956.db2.gz NCOTVYOSXBWZRV-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978253394 693415384 /nfs/dbraw/zinc/41/53/84/693415384.db2.gz VFKHZXYTNGINBZ-VQHPVUNQSA-N 2 1 339.911 2.011 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978253394 693415389 /nfs/dbraw/zinc/41/53/89/693415389.db2.gz VFKHZXYTNGINBZ-VQHPVUNQSA-N 2 1 339.911 2.011 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978271445 693437739 /nfs/dbraw/zinc/43/77/39/693437739.db2.gz MIPTVTVBFKUFBF-OKYOBFRVSA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978271445 693437742 /nfs/dbraw/zinc/43/77/42/693437742.db2.gz MIPTVTVBFKUFBF-OKYOBFRVSA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978271445 693437745 /nfs/dbraw/zinc/43/77/45/693437745.db2.gz MIPTVTVBFKUFBF-OKYOBFRVSA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272719388 1191981196 /nfs/dbraw/zinc/98/11/96/1191981196.db2.gz ULXIZHULGNKGTP-FQEVSTJZSA-N 2 1 347.503 2.280 20 30 EEEDMP C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272719388 1191981199 /nfs/dbraw/zinc/98/11/99/1191981199.db2.gz ULXIZHULGNKGTP-FQEVSTJZSA-N 2 1 347.503 2.280 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001753869400 1182594415 /nfs/dbraw/zinc/59/44/15/1182594415.db2.gz REJUGQYTOXEGPP-UHFFFAOYSA-N 2 1 333.520 2.158 20 30 EEEDMP C#CCN[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1CC ZINC001484325061 1191305579 /nfs/dbraw/zinc/30/55/79/1191305579.db2.gz XOPDXMVQUPATDL-OALUTQOASA-N 2 1 327.472 2.113 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C#N)cc1 ZINC001485072661 1191642525 /nfs/dbraw/zinc/64/25/25/1191642525.db2.gz JIXYLPYOMRVPJI-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001485072661 1191642526 /nfs/dbraw/zinc/64/25/26/1191642526.db2.gz JIXYLPYOMRVPJI-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001485072661 1191642528 /nfs/dbraw/zinc/64/25/28/1191642528.db2.gz JIXYLPYOMRVPJI-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001486178755 1193716652 /nfs/dbraw/zinc/71/66/52/1193716652.db2.gz DWODVYZEAOROSD-PBHICJAKSA-N 2 1 348.516 2.431 20 30 EEEDMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001486178755 1193716653 /nfs/dbraw/zinc/71/66/53/1193716653.db2.gz DWODVYZEAOROSD-PBHICJAKSA-N 2 1 348.516 2.431 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033417657 1194540535 /nfs/dbraw/zinc/54/05/35/1194540535.db2.gz WVOIUGCBGPCLMC-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033417657 1194540538 /nfs/dbraw/zinc/54/05/38/1194540538.db2.gz WVOIUGCBGPCLMC-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033417657 1194540541 /nfs/dbraw/zinc/54/05/41/1194540541.db2.gz WVOIUGCBGPCLMC-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033898879 1195466586 /nfs/dbraw/zinc/46/65/86/1195466586.db2.gz ZAWGZZATCAWRJY-QGZVFWFLSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001034046989 1195698763 /nfs/dbraw/zinc/69/87/63/1195698763.db2.gz WYBOXENXYYYJAW-ZWKOTPCHSA-N 2 1 337.483 2.003 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034240417 1195990976 /nfs/dbraw/zinc/99/09/76/1195990976.db2.gz IEQXIVIHTFFDJV-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034240417 1195990979 /nfs/dbraw/zinc/99/09/79/1195990979.db2.gz IEQXIVIHTFFDJV-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034240417 1195990980 /nfs/dbraw/zinc/99/09/80/1195990980.db2.gz IEQXIVIHTFFDJV-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1 ZINC001034818032 1196775677 /nfs/dbraw/zinc/77/56/77/1196775677.db2.gz HYUPTYCFROHHFR-FQEVSTJZSA-N 2 1 339.483 2.290 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1 ZINC001034818032 1196775685 /nfs/dbraw/zinc/77/56/85/1196775685.db2.gz HYUPTYCFROHHFR-FQEVSTJZSA-N 2 1 339.483 2.290 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132409530 1199675971 /nfs/dbraw/zinc/67/59/71/1199675971.db2.gz AOVXCHFJZYITJL-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132409530 1199675978 /nfs/dbraw/zinc/67/59/78/1199675978.db2.gz AOVXCHFJZYITJL-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132409530 1199675983 /nfs/dbraw/zinc/67/59/83/1199675983.db2.gz AOVXCHFJZYITJL-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134613573 1199690436 /nfs/dbraw/zinc/69/04/36/1199690436.db2.gz WEVMYWCWRNKTBH-HOTGVXAUSA-N 2 1 342.487 2.415 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)C1CCC1 ZINC001133398062 1200836867 /nfs/dbraw/zinc/83/68/67/1200836867.db2.gz BJNGTBOQYOXLOI-UHFFFAOYSA-N 2 1 347.890 2.376 20 30 EEEDMP CC[C@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)[NH+](CC)CC ZINC001133683918 1201179806 /nfs/dbraw/zinc/17/98/06/1201179806.db2.gz APZGTNRXLXCMHP-QGZVFWFLSA-N 2 1 334.439 2.024 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533682 1205862018 /nfs/dbraw/zinc/86/20/18/1205862018.db2.gz JMSGNEAXXZDDHM-XWSJACJDSA-N 2 1 329.488 2.138 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533682 1205862019 /nfs/dbraw/zinc/86/20/19/1205862019.db2.gz JMSGNEAXXZDDHM-XWSJACJDSA-N 2 1 329.488 2.138 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741155 1208454472 /nfs/dbraw/zinc/45/44/72/1208454472.db2.gz UEMBPKRUZUSCDE-NJAFHUGGSA-N 2 1 337.427 2.179 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947536939 1208611166 /nfs/dbraw/zinc/61/11/66/1208611166.db2.gz KDHQTBPKHIQEFT-GJZGRUSLSA-N 2 1 325.416 2.036 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@@H](C)C2)CC1 ZINC000948069985 1208854149 /nfs/dbraw/zinc/85/41/49/1208854149.db2.gz LYWHKQXFUUDGCR-HKUYNNGSSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000948565335 1209225608 /nfs/dbraw/zinc/22/56/08/1209225608.db2.gz CJPOIBQTEYRFTR-HZPDHXFCSA-N 2 1 330.476 2.322 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000948565335 1209225610 /nfs/dbraw/zinc/22/56/10/1209225610.db2.gz CJPOIBQTEYRFTR-HZPDHXFCSA-N 2 1 330.476 2.322 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000948624810 1209257772 /nfs/dbraw/zinc/25/77/72/1209257772.db2.gz IKCJNIVHQHVSCS-KRWDZBQOSA-N 2 1 342.487 2.098 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000948624810 1209257773 /nfs/dbraw/zinc/25/77/73/1209257773.db2.gz IKCJNIVHQHVSCS-KRWDZBQOSA-N 2 1 342.487 2.098 20 30 EEEDMP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000948899064 1209443310 /nfs/dbraw/zinc/44/33/10/1209443310.db2.gz QJKLYRMEQFIONW-RBUKOAKNSA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000948899064 1209443312 /nfs/dbraw/zinc/44/33/12/1209443312.db2.gz QJKLYRMEQFIONW-RBUKOAKNSA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948899064 1209443313 /nfs/dbraw/zinc/44/33/13/1209443313.db2.gz QJKLYRMEQFIONW-RBUKOAKNSA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948899064 1209443315 /nfs/dbraw/zinc/44/33/15/1209443315.db2.gz QJKLYRMEQFIONW-RBUKOAKNSA-N 2 1 327.472 2.372 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957545259 1215198697 /nfs/dbraw/zinc/19/86/97/1215198697.db2.gz KCAYZRIAHWZPGL-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)ccc1OC(F)F ZINC000305007611 1216131614 /nfs/dbraw/zinc/13/16/14/1216131614.db2.gz JJOVXJLMOKGGKQ-AWEZNQCLSA-N 2 1 340.418 2.485 20 30 EEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001412949517 1216145614 /nfs/dbraw/zinc/14/56/14/1216145614.db2.gz VGFVFQJCWYJLMI-RTBURBONSA-N 2 1 331.460 2.024 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC000960146087 1216384000 /nfs/dbraw/zinc/38/40/00/1216384000.db2.gz ANVPUYYAYGVUJO-ZSHCYNCHSA-N 2 1 333.501 2.436 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC000960347657 1216506610 /nfs/dbraw/zinc/50/66/10/1216506610.db2.gz PQLCFLJOVTZWCA-ZGXWSNOMSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC000960347657 1216506616 /nfs/dbraw/zinc/50/66/16/1216506616.db2.gz PQLCFLJOVTZWCA-ZGXWSNOMSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC3CCCCCC3)C[C@H]21 ZINC000960347657 1216506619 /nfs/dbraw/zinc/50/66/19/1216506619.db2.gz PQLCFLJOVTZWCA-ZGXWSNOMSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC3CCCCCC3)C[C@H]21 ZINC000960347657 1216506623 /nfs/dbraw/zinc/50/66/23/1216506623.db2.gz PQLCFLJOVTZWCA-ZGXWSNOMSA-N 2 1 343.515 2.101 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC000961189237 1217077722 /nfs/dbraw/zinc/07/77/22/1217077722.db2.gz YRYYWKKJOSCCKX-DLBZAZTESA-N 2 1 330.476 2.479 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961189237 1217077724 /nfs/dbraw/zinc/07/77/24/1217077724.db2.gz YRYYWKKJOSCCKX-DLBZAZTESA-N 2 1 330.476 2.479 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961189237 1217077726 /nfs/dbraw/zinc/07/77/26/1217077726.db2.gz YRYYWKKJOSCCKX-DLBZAZTESA-N 2 1 330.476 2.479 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961196864 1217082845 /nfs/dbraw/zinc/08/28/45/1217082845.db2.gz JPBDLMARNLQXDO-ZWKOTPCHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961196864 1217082848 /nfs/dbraw/zinc/08/28/48/1217082848.db2.gz JPBDLMARNLQXDO-ZWKOTPCHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000961570870 1217226825 /nfs/dbraw/zinc/22/68/25/1217226825.db2.gz ZUEQJWUMPGLCMZ-ZSYWTGECSA-N 2 1 331.504 2.406 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000961570870 1217226833 /nfs/dbraw/zinc/22/68/33/1217226833.db2.gz ZUEQJWUMPGLCMZ-ZSYWTGECSA-N 2 1 331.504 2.406 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000961570870 1217226836 /nfs/dbraw/zinc/22/68/36/1217226836.db2.gz ZUEQJWUMPGLCMZ-ZSYWTGECSA-N 2 1 331.504 2.406 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963390114 1217587207 /nfs/dbraw/zinc/58/72/07/1217587207.db2.gz JINUFOAHDAMZOU-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1CC ZINC001037952824 1220692087 /nfs/dbraw/zinc/69/20/87/1220692087.db2.gz WVWVOURTKGAKNA-QAPCUYQASA-N 2 1 339.443 2.284 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000968497314 1221352894 /nfs/dbraw/zinc/35/28/94/1221352894.db2.gz JKLGAINYQJIJHB-VQIMIIECSA-N 2 1 336.439 2.336 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000968890536 1221650151 /nfs/dbraw/zinc/65/01/51/1221650151.db2.gz JYBKSSKDQIRKNP-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000968890536 1221650153 /nfs/dbraw/zinc/65/01/53/1221650153.db2.gz JYBKSSKDQIRKNP-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000968890536 1221650157 /nfs/dbraw/zinc/65/01/57/1221650157.db2.gz JYBKSSKDQIRKNP-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001017572320 1227533906 /nfs/dbraw/zinc/53/39/06/1227533906.db2.gz CTFKTIHUEGEYPR-DAYGRLMNSA-N 2 1 343.475 2.041 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001018984973 1228606682 /nfs/dbraw/zinc/60/66/82/1228606682.db2.gz HIFIIBPXSDPYLO-ZCNNSNEGSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001018984973 1228606687 /nfs/dbraw/zinc/60/66/87/1228606687.db2.gz HIFIIBPXSDPYLO-ZCNNSNEGSA-N 2 1 339.483 2.426 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155807 1230375752 /nfs/dbraw/zinc/37/57/52/1230375752.db2.gz DNXJKBDTELPFGJ-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039165700 1230387071 /nfs/dbraw/zinc/38/70/71/1230387071.db2.gz RIPGKOLOBGYCBZ-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039165700 1230387075 /nfs/dbraw/zinc/38/70/75/1230387075.db2.gz RIPGKOLOBGYCBZ-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039165700 1230387081 /nfs/dbraw/zinc/38/70/81/1230387081.db2.gz RIPGKOLOBGYCBZ-PKOBYXMFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040208672 1231103957 /nfs/dbraw/zinc/10/39/57/1231103957.db2.gz AVIUIKKRLXOMKR-XLIONFOSSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040208672 1231103960 /nfs/dbraw/zinc/10/39/60/1231103960.db2.gz AVIUIKKRLXOMKR-XLIONFOSSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040208671 1231104273 /nfs/dbraw/zinc/10/42/73/1231104273.db2.gz AVIUIKKRLXOMKR-PXNSSMCTSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040208671 1231104274 /nfs/dbraw/zinc/10/42/74/1231104274.db2.gz AVIUIKKRLXOMKR-PXNSSMCTSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040493467 1231261392 /nfs/dbraw/zinc/26/13/92/1231261392.db2.gz LOTHLPHRRHWRQI-HXUWFJFHSA-N 2 1 340.471 2.099 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040493467 1231261393 /nfs/dbraw/zinc/26/13/93/1231261393.db2.gz LOTHLPHRRHWRQI-HXUWFJFHSA-N 2 1 340.471 2.099 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040757700 1231359660 /nfs/dbraw/zinc/35/96/60/1231359660.db2.gz XGHNHXCCTPURBM-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041596748 1231615890 /nfs/dbraw/zinc/61/58/90/1231615890.db2.gz CAQTUFWYDAFDRZ-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041596748 1231615892 /nfs/dbraw/zinc/61/58/92/1231615892.db2.gz CAQTUFWYDAFDRZ-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C[C@H](C)CC)C3)C2)CC1 ZINC001041842711 1231726696 /nfs/dbraw/zinc/72/66/96/1231726696.db2.gz ATOAOEWCQXEDRZ-WIYYLYMNSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844800 1231728164 /nfs/dbraw/zinc/72/81/64/1231728164.db2.gz NRRXKOWRVCVXKX-NRFANRHFSA-N 2 1 339.483 2.310 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042316736 1232024424 /nfs/dbraw/zinc/02/44/24/1232024424.db2.gz RTGKNPVBOXMZCV-QAPCUYQASA-N 2 1 328.460 2.260 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042316736 1232024426 /nfs/dbraw/zinc/02/44/26/1232024426.db2.gz RTGKNPVBOXMZCV-QAPCUYQASA-N 2 1 328.460 2.260 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045663321 1233892984 /nfs/dbraw/zinc/89/29/84/1233892984.db2.gz LTXIATJAHDJEMY-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045942846 1234201969 /nfs/dbraw/zinc/20/19/69/1234201969.db2.gz BEIHJXMOMTVGCD-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047241714 1235729069 /nfs/dbraw/zinc/72/90/69/1235729069.db2.gz SWXRCUJFJUVXKI-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818799 1238731285 /nfs/dbraw/zinc/73/12/85/1238731285.db2.gz NZNVPSMJFWFXBS-AKHDSKFASA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818799 1238731295 /nfs/dbraw/zinc/73/12/95/1238731295.db2.gz NZNVPSMJFWFXBS-AKHDSKFASA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818799 1238731306 /nfs/dbraw/zinc/73/13/06/1238731306.db2.gz NZNVPSMJFWFXBS-AKHDSKFASA-N 2 1 331.504 2.217 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049519774 1241220062 /nfs/dbraw/zinc/22/00/62/1241220062.db2.gz AZFMTJKWCXTLST-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049519774 1241220070 /nfs/dbraw/zinc/22/00/70/1241220070.db2.gz AZFMTJKWCXTLST-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049519774 1241220075 /nfs/dbraw/zinc/22/00/75/1241220075.db2.gz AZFMTJKWCXTLST-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049524898 1241245255 /nfs/dbraw/zinc/24/52/55/1241245255.db2.gz OKHPRSRSRGUNED-GVDBMIGSSA-N 2 1 328.460 2.402 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049524898 1241245271 /nfs/dbraw/zinc/24/52/71/1241245271.db2.gz OKHPRSRSRGUNED-GVDBMIGSSA-N 2 1 328.460 2.402 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001001469019 1242332549 /nfs/dbraw/zinc/33/25/49/1242332549.db2.gz ZCBQKPXPCMRWEI-UHFFFAOYSA-N 2 1 325.456 2.133 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846541 1242402360 /nfs/dbraw/zinc/40/23/60/1242402360.db2.gz JPYSHPOGAZKDBP-MSOLQXFVSA-N 2 1 328.460 2.403 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846541 1242402365 /nfs/dbraw/zinc/40/23/65/1242402365.db2.gz JPYSHPOGAZKDBP-MSOLQXFVSA-N 2 1 328.460 2.403 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC2CCC2)CC1 ZINC001049909419 1242656976 /nfs/dbraw/zinc/65/69/76/1242656976.db2.gz AXGQHWLZONKQLV-UXHICEINSA-N 2 1 343.515 2.197 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001073899504 1242762564 /nfs/dbraw/zinc/76/25/64/1242762564.db2.gz VTCFEWLYXUNPOS-IBGZPJMESA-N 2 1 345.487 2.145 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001050181250 1243060711 /nfs/dbraw/zinc/06/07/11/1243060711.db2.gz HLHGHPFCMMKMCV-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001050766306 1244321053 /nfs/dbraw/zinc/32/10/53/1244321053.db2.gz NXEWSGBYFGFVNM-GOSISDBHSA-N 2 1 327.472 2.400 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036613 1245735689 /nfs/dbraw/zinc/73/56/89/1245735689.db2.gz NRLJOUWDRKWQAN-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046582 1245763510 /nfs/dbraw/zinc/76/35/10/1245763510.db2.gz LFHKZIZTWQBXOT-PMACEKPBSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001101551625 1245956569 /nfs/dbraw/zinc/95/65/69/1245956569.db2.gz TXFCFMPDGIXYSJ-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCC)CC1 ZINC001111456689 1246239059 /nfs/dbraw/zinc/23/90/59/1246239059.db2.gz PUHHDJBLFODKLL-QRVBRYPASA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)O2 ZINC001053621596 1246545873 /nfs/dbraw/zinc/54/58/73/1246545873.db2.gz IKTMHWFKMBKLRI-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001054060435 1247272719 /nfs/dbraw/zinc/27/27/19/1247272719.db2.gz MSVJSUFMTOWUDC-UXHICEINSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054060435 1247272727 /nfs/dbraw/zinc/27/27/27/1247272727.db2.gz MSVJSUFMTOWUDC-UXHICEINSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054060435 1247272736 /nfs/dbraw/zinc/27/27/36/1247272736.db2.gz MSVJSUFMTOWUDC-UXHICEINSA-N 2 1 341.499 2.447 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448178 1247310336 /nfs/dbraw/zinc/31/03/36/1247310336.db2.gz WNQCUSOMRZLCMY-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448178 1247310351 /nfs/dbraw/zinc/31/03/51/1247310351.db2.gz WNQCUSOMRZLCMY-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448178 1247310362 /nfs/dbraw/zinc/31/03/62/1247310362.db2.gz WNQCUSOMRZLCMY-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)cc2C1 ZINC001054281492 1247998204 /nfs/dbraw/zinc/99/82/04/1247998204.db2.gz MYSOFZDZMQOICH-HNAYVOBHSA-N 2 1 327.472 2.392 20 30 EEEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281492 1247998212 /nfs/dbraw/zinc/99/82/12/1247998212.db2.gz MYSOFZDZMQOICH-HNAYVOBHSA-N 2 1 327.472 2.392 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281492 1247998218 /nfs/dbraw/zinc/99/82/18/1247998218.db2.gz MYSOFZDZMQOICH-HNAYVOBHSA-N 2 1 327.472 2.392 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099358 1254930350 /nfs/dbraw/zinc/93/03/50/1254930350.db2.gz PSKZFUOCRJRBTB-WMZOPIPTSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001201037480 1287266377 /nfs/dbraw/zinc/26/63/77/1287266377.db2.gz JVWUWAAJBPTMCC-IBGZPJMESA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135881 1280149020 /nfs/dbraw/zinc/14/90/20/1280149020.db2.gz QRGDKWCLUUBYIH-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135881 1280149025 /nfs/dbraw/zinc/14/90/25/1280149025.db2.gz QRGDKWCLUUBYIH-JENIJYKNSA-N 2 1 342.487 2.253 20 30 EEEDMP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900325 1281111172 /nfs/dbraw/zinc/11/11/72/1281111172.db2.gz OLDKZLVPUOPESZ-FGTMMUONSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900325 1281111176 /nfs/dbraw/zinc/11/11/76/1281111176.db2.gz OLDKZLVPUOPESZ-FGTMMUONSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190900325 1281111179 /nfs/dbraw/zinc/11/11/79/1281111179.db2.gz OLDKZLVPUOPESZ-FGTMMUONSA-N 2 1 339.524 2.209 20 30 EEEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190900325 1281111187 /nfs/dbraw/zinc/11/11/87/1281111187.db2.gz OLDKZLVPUOPESZ-FGTMMUONSA-N 2 1 339.524 2.209 20 30 EEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192353812 1281945507 /nfs/dbraw/zinc/94/55/07/1281945507.db2.gz ICZNVCJKWVPZCH-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001192353812 1281945510 /nfs/dbraw/zinc/94/55/10/1281945510.db2.gz ICZNVCJKWVPZCH-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001192353812 1281945512 /nfs/dbraw/zinc/94/55/12/1281945512.db2.gz ICZNVCJKWVPZCH-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C#Cc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)cc1 ZINC001273674115 1282955526 /nfs/dbraw/zinc/95/55/26/1282955526.db2.gz KKWCLKOCCLVDNX-OAQYLSRUSA-N 2 1 339.483 2.187 20 30 EEEDMP C#CC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198895503 1285398946 /nfs/dbraw/zinc/39/89/46/1285398946.db2.gz SNUAMSIKPJZDFT-MSOLQXFVSA-N 2 1 345.487 2.196 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110615088 1291585967 /nfs/dbraw/zinc/58/59/67/1291585967.db2.gz FPGVLXJGHCAMKZ-TWMKSMIVSA-N 2 1 325.472 2.354 20 30 EEEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001202494871 1293366762 /nfs/dbraw/zinc/36/67/62/1293366762.db2.gz KMTHCVLTCRGWBF-MJGOQNOKSA-N 2 1 333.451 2.401 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734847 1296074086 /nfs/dbraw/zinc/07/40/86/1296074086.db2.gz RHPPWQCOWPAEJT-CVEARBPZSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734847 1296074097 /nfs/dbraw/zinc/07/40/97/1296074097.db2.gz RHPPWQCOWPAEJT-CVEARBPZSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072734847 1296074106 /nfs/dbraw/zinc/07/41/06/1296074106.db2.gz RHPPWQCOWPAEJT-CVEARBPZSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734847 1296074116 /nfs/dbraw/zinc/07/41/16/1296074116.db2.gz RHPPWQCOWPAEJT-CVEARBPZSA-N 2 1 337.895 2.148 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214662209 1296549967 /nfs/dbraw/zinc/54/99/67/1296549967.db2.gz YUKOHZOPXOIQPK-IXDOHACOSA-N 2 1 348.491 2.036 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215387825 1296884685 /nfs/dbraw/zinc/88/46/85/1296884685.db2.gz VDLGFQNNCZNFFE-BHIYHBOVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216351629 1297144250 /nfs/dbraw/zinc/14/42/50/1297144250.db2.gz FYNKHLRSVZSABM-QRQLOZEOSA-N 2 1 327.472 2.139 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801670 1297544734 /nfs/dbraw/zinc/54/47/34/1297544734.db2.gz RFDRVMSXEHVRAW-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801670 1297544740 /nfs/dbraw/zinc/54/47/40/1297544740.db2.gz RFDRVMSXEHVRAW-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801670 1297544744 /nfs/dbraw/zinc/54/47/44/1297544744.db2.gz RFDRVMSXEHVRAW-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001073850411 1297601021 /nfs/dbraw/zinc/60/10/21/1297601021.db2.gz BSBSZENYJHGUHF-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001073850411 1297601028 /nfs/dbraw/zinc/60/10/28/1297601028.db2.gz BSBSZENYJHGUHF-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001073850411 1297601035 /nfs/dbraw/zinc/60/10/35/1297601035.db2.gz BSBSZENYJHGUHF-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCCCC)C[C@H]21 ZINC001221626254 1298965979 /nfs/dbraw/zinc/96/59/79/1298965979.db2.gz XMOJPLINARNYDS-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCCCC)C[C@H]21 ZINC001221626254 1298965980 /nfs/dbraw/zinc/96/59/80/1298965980.db2.gz XMOJPLINARNYDS-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCCCC)C[C@H]21 ZINC001221626254 1298965981 /nfs/dbraw/zinc/96/59/81/1298965981.db2.gz XMOJPLINARNYDS-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCCCC)C[C@H]21 ZINC001221626254 1298965985 /nfs/dbraw/zinc/96/59/85/1298965985.db2.gz XMOJPLINARNYDS-CEXWTWQISA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099521452 1299179771 /nfs/dbraw/zinc/17/97/71/1299179771.db2.gz RINTYYXTBIGHNK-MLHJIOFPSA-N 2 1 331.504 2.073 20 30 EEEDMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccccc3CC#N)C[C@@H]1C[NH2+]CCC2 ZINC001222135433 1299377479 /nfs/dbraw/zinc/37/74/79/1299377479.db2.gz CCBMNHRQLDPVKX-ICSRJNTNSA-N 2 1 341.455 2.117 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C[C@@H]21 ZINC001223901170 1300321516 /nfs/dbraw/zinc/32/15/16/1300321516.db2.gz SMOGJTIMLVAFSI-YZGWKJHDSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C[C@@H]21 ZINC001223901170 1300321525 /nfs/dbraw/zinc/32/15/25/1300321525.db2.gz SMOGJTIMLVAFSI-YZGWKJHDSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223901170 1300321538 /nfs/dbraw/zinc/32/15/38/1300321538.db2.gz SMOGJTIMLVAFSI-YZGWKJHDSA-N 2 1 339.483 2.235 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223901170 1300321552 /nfs/dbraw/zinc/32/15/52/1300321552.db2.gz SMOGJTIMLVAFSI-YZGWKJHDSA-N 2 1 339.483 2.235 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225558027 1301058000 /nfs/dbraw/zinc/05/80/00/1301058000.db2.gz YOENWEFCKWQPMR-UHFFFAOYSA-N 2 1 327.900 2.443 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CCC(=C)C)C[C@H]2C)CC1 ZINC001103751829 1303296731 /nfs/dbraw/zinc/29/67/31/1303296731.db2.gz UKDDUHFCDRXIOG-UYAOXDASSA-N 2 1 345.531 2.372 20 30 EEEDMP COC(C)(C)C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277584206 1303942049 /nfs/dbraw/zinc/94/20/49/1303942049.db2.gz BZPSLMQNEMZLQR-UHFFFAOYSA-N 2 1 330.476 2.220 20 30 EEEDMP N#CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277940778 1305209713 /nfs/dbraw/zinc/20/97/13/1305209713.db2.gz GFEXFFNETGYTLL-ICSRJNTNSA-N 2 1 344.503 2.089 20 30 EEEDMP C=CCN1CC[C@]2(CCC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)C1=O ZINC001235495028 1305252234 /nfs/dbraw/zinc/25/22/34/1305252234.db2.gz VNVVZJFMNGERFV-QUCCMNQESA-N 2 1 327.472 2.057 20 30 EEEDMP C=CCN1CC[C@]2(CCC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)C1=O ZINC001235495028 1305252241 /nfs/dbraw/zinc/25/22/41/1305252241.db2.gz VNVVZJFMNGERFV-QUCCMNQESA-N 2 1 327.472 2.057 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115578056 1305414096 /nfs/dbraw/zinc/41/40/96/1305414096.db2.gz WXPLAYTXFGDMQW-SFHVURJKSA-N 2 1 331.504 2.293 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115578056 1305414107 /nfs/dbraw/zinc/41/41/07/1305414107.db2.gz WXPLAYTXFGDMQW-SFHVURJKSA-N 2 1 331.504 2.293 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448659 1309545555 /nfs/dbraw/zinc/54/55/55/1309545555.db2.gz DCAKGLOWBRLXOD-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001246305663 1310276773 /nfs/dbraw/zinc/27/67/73/1310276773.db2.gz INJDZYWVVUWEEL-WMZOPIPTSA-N 3 1 337.508 2.210 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001161041837 1320365549 /nfs/dbraw/zinc/36/55/49/1320365549.db2.gz MSLYLSGTFOOTJC-SFHVURJKSA-N 2 1 347.890 2.272 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001151308799 1316501362 /nfs/dbraw/zinc/50/13/62/1316501362.db2.gz VQBQMISHGYHBAF-UHFFFAOYSA-N 2 1 339.524 2.138 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930623 1316918332 /nfs/dbraw/zinc/91/83/32/1316918332.db2.gz ULWGBSQSLKTFPR-APWZRJJASA-N 2 1 344.503 2.471 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930623 1316918333 /nfs/dbraw/zinc/91/83/33/1316918333.db2.gz ULWGBSQSLKTFPR-APWZRJJASA-N 2 1 344.503 2.471 20 30 EEEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)s1)[NH+](C)C ZINC001153998275 1316933131 /nfs/dbraw/zinc/93/31/31/1316933131.db2.gz LVZVSIHKZKNJQP-CZUORRHYSA-N 2 1 336.505 2.287 20 30 EEEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001154012653 1316936343 /nfs/dbraw/zinc/93/63/43/1316936343.db2.gz HYBMFNWDKXFLAP-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023474 1317423694 /nfs/dbraw/zinc/42/36/94/1317423694.db2.gz HJAIVTYDNGRUNC-MRXNPFEDSA-N 2 1 342.487 2.227 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158060176 1318988776 /nfs/dbraw/zinc/98/87/76/1318988776.db2.gz HWLSCCWHGFVWHD-SJORKVTESA-N 2 1 328.460 2.097 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158060176 1318988777 /nfs/dbraw/zinc/98/87/77/1318988777.db2.gz HWLSCCWHGFVWHD-SJORKVTESA-N 2 1 328.460 2.097 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158751019 1319418424 /nfs/dbraw/zinc/41/84/24/1319418424.db2.gz PGLFZHNEZDYDHY-QZTJIDSGSA-N 2 1 339.524 2.232 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001159901374 1320015780 /nfs/dbraw/zinc/01/57/80/1320015780.db2.gz FTKYLRMUFQSXCL-IBGZPJMESA-N 2 1 342.487 2.417 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1 ZINC001160870471 1320299241 /nfs/dbraw/zinc/29/92/41/1320299241.db2.gz YAUOPFQOIJIDSF-OALUTQOASA-N 2 1 340.471 2.171 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001161250716 1320434376 /nfs/dbraw/zinc/43/43/76/1320434376.db2.gz COHDGDXTCAOXKK-UHFFFAOYSA-N 2 1 334.439 2.024 20 30 EEEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946768 1320688567 /nfs/dbraw/zinc/68/85/67/1320688567.db2.gz BURFMAASTMTCPT-HXUWFJFHSA-N 2 1 339.483 2.451 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946768 1320688572 /nfs/dbraw/zinc/68/85/72/1320688572.db2.gz BURFMAASTMTCPT-HXUWFJFHSA-N 2 1 339.483 2.451 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953625 1320693602 /nfs/dbraw/zinc/69/36/02/1320693602.db2.gz YPNXAEPVHWXRNG-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001162836887 1320971245 /nfs/dbraw/zinc/97/12/45/1320971245.db2.gz VRUILHWFRJKYQM-HXUWFJFHSA-N 2 1 341.499 2.155 20 30 EEEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485134 1321533859 /nfs/dbraw/zinc/53/38/59/1321533859.db2.gz NIEMRRSTXWXHPG-SFHVURJKSA-N 2 1 331.504 2.293 20 30 EEEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C12CCC2 ZINC001203492713 1321895450 /nfs/dbraw/zinc/89/54/50/1321895450.db2.gz NONPFONRYCCPDG-QZTJIDSGSA-N 2 1 349.519 2.082 20 30 EEEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518876 1323174368 /nfs/dbraw/zinc/17/43/68/1323174368.db2.gz NUXYLJKELHWTOG-RTBURBONSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001206288724 1323449007 /nfs/dbraw/zinc/44/90/07/1323449007.db2.gz XWKVHNRRVWUQLD-UHFFFAOYSA-N 2 1 327.900 2.299 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001206953678 1323740998 /nfs/dbraw/zinc/74/09/98/1323740998.db2.gz ZJSBQCIVBSVZGI-UHFFFAOYSA-N 2 1 341.499 2.207 20 30 EEEDMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001207104197 1323851609 /nfs/dbraw/zinc/85/16/09/1323851609.db2.gz NKITVGQOVFPCQS-LJQANCHMSA-N 2 1 330.476 2.220 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001208090269 1324310755 /nfs/dbraw/zinc/31/07/55/1324310755.db2.gz PIEBEMPBJCBRCX-YJBOKZPZSA-N 2 1 345.491 2.337 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001208090269 1324310757 /nfs/dbraw/zinc/31/07/57/1324310757.db2.gz PIEBEMPBJCBRCX-YJBOKZPZSA-N 2 1 345.491 2.337 20 30 EEEDMP C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)C1 ZINC001209728399 1325022849 /nfs/dbraw/zinc/02/28/49/1325022849.db2.gz SRFUKYFPMMMBAK-UHFFFAOYSA-N 2 1 344.459 2.495 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCCCC)CC1 ZINC001316611685 1325211737 /nfs/dbraw/zinc/21/17/37/1325211737.db2.gz WQMRKYAOBKIPIW-LJQANCHMSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC001312787224 1331791537 /nfs/dbraw/zinc/79/15/37/1331791537.db2.gz DQXCTHMEEUZJCS-GOSISDBHSA-N 2 1 336.524 2.141 20 30 EEEDMP C#CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CC1 ZINC001319457725 1332705207 /nfs/dbraw/zinc/70/52/07/1332705207.db2.gz BMKQJUHGXHNFED-UHFFFAOYSA-N 2 1 339.483 2.244 20 30 EEEDMP C#CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CC1 ZINC001319457725 1332705212 /nfs/dbraw/zinc/70/52/12/1332705212.db2.gz BMKQJUHGXHNFED-UHFFFAOYSA-N 2 1 339.483 2.244 20 30 EEEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001343965477 1337359887 /nfs/dbraw/zinc/35/98/87/1337359887.db2.gz BZFLUNVJHSVGHB-KRWDZBQOSA-N 2 1 346.523 2.194 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1sccc1C#N ZINC001647455434 1353284122 /nfs/dbraw/zinc/28/41/22/1353284122.db2.gz BQWFTAMCRSLVOR-HNNXBMFYSA-N 2 1 349.504 2.500 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCCCC=C)CC1 ZINC001201094367 1368779245 /nfs/dbraw/zinc/77/92/45/1368779245.db2.gz RIUPLRQOLDTSKY-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCCCC=C)CC1 ZINC001201094367 1368779247 /nfs/dbraw/zinc/77/92/47/1368779247.db2.gz RIUPLRQOLDTSKY-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353348 1371409742 /nfs/dbraw/zinc/40/97/42/1371409742.db2.gz CVPCAJKPKGSCKE-NSHGMRRFSA-N 2 1 331.504 2.101 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1C#N ZINC001377395344 1379202539 /nfs/dbraw/zinc/20/25/39/1379202539.db2.gz RZZOOUWBWCXIIZ-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001381473194 1381618526 /nfs/dbraw/zinc/61/85/26/1381618526.db2.gz ROUDCQXBMPKQTJ-INIZCTEOSA-N 2 1 348.516 2.288 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752804037 1406423798 /nfs/dbraw/zinc/42/37/98/1406423798.db2.gz COJQGGHQIYHJTQ-SFHVURJKSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCc1ccccc1C ZINC001752878148 1406506531 /nfs/dbraw/zinc/50/65/31/1406506531.db2.gz IVGOIDFHGQDYDT-ICSRJNTNSA-N 2 1 341.499 2.120 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCc1ccccc1C ZINC001752878148 1406506542 /nfs/dbraw/zinc/50/65/42/1406506542.db2.gz IVGOIDFHGQDYDT-ICSRJNTNSA-N 2 1 341.499 2.120 20 30 EEEDMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001398551559 1394102753 /nfs/dbraw/zinc/10/27/53/1394102753.db2.gz DWSYGKRGZJHHEP-HDJSIYSDSA-N 2 1 348.516 2.334 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001754581978 1406931089 /nfs/dbraw/zinc/93/10/89/1406931089.db2.gz PBFCAPIJDGGSHX-HOCLYGCPSA-N 2 1 330.476 2.251 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001422517083 1399976754 /nfs/dbraw/zinc/97/67/54/1399976754.db2.gz LJTSLGHLBSRZPB-BBRMVZONSA-N 2 1 336.505 2.142 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001422517083 1399976757 /nfs/dbraw/zinc/97/67/57/1399976757.db2.gz LJTSLGHLBSRZPB-BBRMVZONSA-N 2 1 336.505 2.142 20 30 EEEDMP C=CC[NH2+]C1(CC)CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001755068814 1407078726 /nfs/dbraw/zinc/07/87/26/1407078726.db2.gz FLHWYOHCWRIKFA-QGZVFWFLSA-N 2 1 345.491 2.337 20 30 EEEDMP C=CC[NH2+]C1(CC)CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001755068814 1407078735 /nfs/dbraw/zinc/07/87/35/1407078735.db2.gz FLHWYOHCWRIKFA-QGZVFWFLSA-N 2 1 345.491 2.337 20 30 EEEDMP CC#CC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC001574970425 1403529769 /nfs/dbraw/zinc/52/97/69/1403529769.db2.gz VSCSZGJPJZRUQV-MAUKXSAKSA-N 2 1 329.444 2.086 20 30 EEEDMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001755445746 1407460085 /nfs/dbraw/zinc/46/00/85/1407460085.db2.gz QEOCZLKHFSBSBR-DLBZAZTESA-N 2 1 339.524 2.136 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075458507 760845974 /nfs/dbraw/zinc/84/59/74/760845974.db2.gz IHDCIHNKFWPWMJ-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075458507 760845985 /nfs/dbraw/zinc/84/59/85/760845985.db2.gz IHDCIHNKFWPWMJ-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075458507 760845999 /nfs/dbraw/zinc/84/59/99/760845999.db2.gz IHDCIHNKFWPWMJ-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023155 782782644 /nfs/dbraw/zinc/78/26/44/782782644.db2.gz QQLUIVZMCGMBIE-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023155 782782652 /nfs/dbraw/zinc/78/26/52/782782652.db2.gz QQLUIVZMCGMBIE-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023155 782782661 /nfs/dbraw/zinc/78/26/61/782782661.db2.gz QQLUIVZMCGMBIE-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001088084833 782883572 /nfs/dbraw/zinc/88/35/72/782883572.db2.gz HISVUSOLKQEHAT-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001088084833 782883579 /nfs/dbraw/zinc/88/35/79/782883579.db2.gz HISVUSOLKQEHAT-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980169829 774000199 /nfs/dbraw/zinc/00/01/99/774000199.db2.gz JJAVZLZHEYLKIV-BZSNNMDCSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH]ccc-2n1 ZINC001089825268 777110807 /nfs/dbraw/zinc/11/08/07/777110807.db2.gz ASVLHIKBVPURQZ-REGYPHIPSA-N 2 1 348.450 2.369 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CCC(C)CC2)CC1 ZINC000981361477 777253184 /nfs/dbraw/zinc/25/31/84/777253184.db2.gz OUGMVVKKHMSACP-MHJFOBGBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCC(C)CC2)CC1 ZINC000981361477 777253192 /nfs/dbraw/zinc/25/31/92/777253192.db2.gz OUGMVVKKHMSACP-MHJFOBGBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CCC(C)CC2)CC1 ZINC000981361477 777253202 /nfs/dbraw/zinc/25/32/02/777253202.db2.gz OUGMVVKKHMSACP-MHJFOBGBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CCC(C)CC2)CC1 ZINC000981361477 777253215 /nfs/dbraw/zinc/25/32/15/777253215.db2.gz OUGMVVKKHMSACP-MHJFOBGBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CCC(C)CC2)CC1 ZINC000981361477 777253224 /nfs/dbraw/zinc/25/32/24/777253224.db2.gz OUGMVVKKHMSACP-MHJFOBGBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC000982051568 778997506 /nfs/dbraw/zinc/99/75/06/778997506.db2.gz RYMXHSKOUJIAFJ-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC000982051568 778997512 /nfs/dbraw/zinc/99/75/12/778997512.db2.gz RYMXHSKOUJIAFJ-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720305 779709290 /nfs/dbraw/zinc/70/92/90/779709290.db2.gz DQQNGPPUUOTVOU-CEXWTWQISA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942172719 781888157 /nfs/dbraw/zinc/88/81/57/781888157.db2.gz MDGGLBBGMHIWGG-ZBFHGGJFSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942172719 781888167 /nfs/dbraw/zinc/88/81/67/781888167.db2.gz MDGGLBBGMHIWGG-ZBFHGGJFSA-N 2 1 339.911 2.442 20 30 EEEDMP C[N@@H+](CCC(=O)NCC[NH2+]CC#Cc1ccccc1)C1CCCCC1 ZINC001131815365 783298742 /nfs/dbraw/zinc/29/87/42/783298742.db2.gz AAEVPVULGUQCPL-UHFFFAOYSA-N 2 1 341.499 2.399 20 30 EEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035191974 784077886 /nfs/dbraw/zinc/07/78/86/784077886.db2.gz ICXYUTVZPXEIQZ-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035191974 784077896 /nfs/dbraw/zinc/07/78/96/784077896.db2.gz ICXYUTVZPXEIQZ-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035191974 784077902 /nfs/dbraw/zinc/07/79/02/784077902.db2.gz ICXYUTVZPXEIQZ-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233508 784145674 /nfs/dbraw/zinc/14/56/74/784145674.db2.gz GAHZLOPVGZQHFX-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001035423694 784466269 /nfs/dbraw/zinc/46/62/69/784466269.db2.gz LHDUKGQZXOPZPK-KRWDZBQOSA-N 2 1 342.443 2.040 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001035423697 784467731 /nfs/dbraw/zinc/46/77/31/784467731.db2.gz LHDUKGQZXOPZPK-QGZVFWFLSA-N 2 1 342.443 2.040 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086788204 784487571 /nfs/dbraw/zinc/48/75/71/784487571.db2.gz FQBQORVPZYVCSF-YESZJQIVSA-N 2 1 330.476 2.205 20 30 EEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)CC2 ZINC001035794803 785144380 /nfs/dbraw/zinc/14/43/80/785144380.db2.gz KAFFNQLSFPQFEM-LJQANCHMSA-N 2 1 337.483 2.309 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996478686 786433939 /nfs/dbraw/zinc/43/39/39/786433939.db2.gz TUQQHGAUVRLXEI-GDBMZVCRSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cncn1C ZINC001089895749 787022041 /nfs/dbraw/zinc/02/20/41/787022041.db2.gz GZTFQPICZZAECY-KANFNMMFSA-N 2 1 342.487 2.098 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424407 787199055 /nfs/dbraw/zinc/19/90/55/787199055.db2.gz MNXUOHCTNIDIEL-YQVWRLOYSA-N 2 1 337.483 2.050 20 30 EEEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546521 787586143 /nfs/dbraw/zinc/58/61/43/787586143.db2.gz GDKICSJKCDVMOB-QWFCFKBJSA-N 2 1 349.519 2.034 20 30 EEEDMP CCCC[NH+]=C(NC[C@@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000912496991 788206688 /nfs/dbraw/zinc/20/66/88/788206688.db2.gz JWAORJGMUDEPGV-MRXNPFEDSA-N 2 1 325.545 2.004 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997132394 789038961 /nfs/dbraw/zinc/03/89/61/789038961.db2.gz KVOBHVWEJMBKNO-NVXWUHKLSA-N 2 1 328.460 2.001 20 30 EEEDMP C=CCCC[NH+]1CC(OC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001105724396 789261590 /nfs/dbraw/zinc/26/15/90/789261590.db2.gz ACOIPZDFGOLRJB-KRWDZBQOSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000923555437 789763235 /nfs/dbraw/zinc/76/32/35/789763235.db2.gz QAZJGCZZJCBTEU-FQEVSTJZSA-N 2 1 339.483 2.500 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000923555437 789763239 /nfs/dbraw/zinc/76/32/39/789763239.db2.gz QAZJGCZZJCBTEU-FQEVSTJZSA-N 2 1 339.483 2.500 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001091198757 790102785 /nfs/dbraw/zinc/10/27/85/790102785.db2.gz SBLGSIAPNXDUFZ-HWOWSKLDSA-N 2 1 327.900 2.345 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(F)(F)F ZINC001171307307 791851597 /nfs/dbraw/zinc/85/15/97/791851597.db2.gz HWYFFVAGIDYDNS-CABCVRRESA-N 2 1 347.425 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(F)(F)F ZINC001171307307 791851601 /nfs/dbraw/zinc/85/16/01/791851601.db2.gz HWYFFVAGIDYDNS-CABCVRRESA-N 2 1 347.425 2.301 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2cnc[nH]2)CC[C@H]1C(F)(F)F ZINC000998265370 792384886 /nfs/dbraw/zinc/38/48/86/792384886.db2.gz HJWRHNZMBZPXFE-KGLIPLIRSA-N 2 1 344.381 2.287 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001148619810 792594461 /nfs/dbraw/zinc/59/44/61/792594461.db2.gz BBCFPYRIXIIIRY-UHFFFAOYSA-N 2 1 328.460 2.262 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001148619810 792594465 /nfs/dbraw/zinc/59/44/65/792594465.db2.gz BBCFPYRIXIIIRY-UHFFFAOYSA-N 2 1 328.460 2.262 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939705 793027651 /nfs/dbraw/zinc/02/76/51/793027651.db2.gz XWIPFFMZRZKXAV-FHWLQOOXSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540251 794072638 /nfs/dbraw/zinc/07/26/38/794072638.db2.gz NBTQAMVTCHLCPS-NSHGMRRFSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540250 794072751 /nfs/dbraw/zinc/07/27/51/794072751.db2.gz NBTQAMVTCHLCPS-BJLQDIEVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992504039 794433378 /nfs/dbraw/zinc/43/33/78/794433378.db2.gz GAWCYIOWCOLCCO-FPOVZHCZSA-N 2 1 339.483 2.498 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133747 794650609 /nfs/dbraw/zinc/65/06/09/794650609.db2.gz MKROGQSQXXKFTR-CEXWTWQISA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036748224 794761592 /nfs/dbraw/zinc/76/15/92/794761592.db2.gz ZMFMOKXQPBNPHR-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001093371826 795103699 /nfs/dbraw/zinc/10/36/99/795103699.db2.gz VNAGUDYEDKHFOM-RTBURBONSA-N 2 1 343.515 2.053 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871141 795596071 /nfs/dbraw/zinc/59/60/71/795596071.db2.gz HDGOFBMXNVNJAB-RDJZCZTQSA-N 2 1 328.460 2.260 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871141 795596072 /nfs/dbraw/zinc/59/60/72/795596072.db2.gz HDGOFBMXNVNJAB-RDJZCZTQSA-N 2 1 328.460 2.260 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342298 795903352 /nfs/dbraw/zinc/90/33/52/795903352.db2.gz PQDCOSMAJGNVDE-QGPMSJSTSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342298 795903356 /nfs/dbraw/zinc/90/33/56/795903356.db2.gz PQDCOSMAJGNVDE-QGPMSJSTSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC001080997408 796548527 /nfs/dbraw/zinc/54/85/27/796548527.db2.gz BZKPZGMJWPVNFI-YLJYHZDGSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993622225 796847297 /nfs/dbraw/zinc/84/72/97/796847297.db2.gz OEVYHIBSABJBGG-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993622225 796847303 /nfs/dbraw/zinc/84/73/03/796847303.db2.gz OEVYHIBSABJBGG-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001094964370 797122658 /nfs/dbraw/zinc/12/26/58/797122658.db2.gz PZBBVZSGVWWXTC-BBWFWOEESA-N 2 1 342.487 2.307 20 30 EEEDMP CC(C)[N@@H+](CCC[NH3+])C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173422861 797442070 /nfs/dbraw/zinc/44/20/70/797442070.db2.gz XYKLKUQXEYLFMU-UHFFFAOYSA-N 2 1 328.460 2.222 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082782690 797694346 /nfs/dbraw/zinc/69/43/46/797694346.db2.gz LIWRIRAZCJRSBP-FVQBIDKESA-N 2 1 327.900 2.438 20 30 EEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001175929300 798292017 /nfs/dbraw/zinc/29/20/17/798292017.db2.gz FRFBUYNSZHQSPZ-HNNXBMFYSA-N 2 1 327.432 2.332 20 30 EEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001175929949 798292253 /nfs/dbraw/zinc/29/22/53/798292253.db2.gz LRFJNTIHGMKVGP-INIZCTEOSA-N 2 1 339.443 2.169 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563775 798497705 /nfs/dbraw/zinc/49/77/05/798497705.db2.gz HGUCJLMSKIUAKW-QFBILLFUSA-N 2 1 342.487 2.275 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072611 798653977 /nfs/dbraw/zinc/65/39/77/798653977.db2.gz JUURXACIUOZFFC-QYZOEREBSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072611 798653980 /nfs/dbraw/zinc/65/39/80/798653980.db2.gz JUURXACIUOZFFC-QYZOEREBSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072611 798653986 /nfs/dbraw/zinc/65/39/86/798653986.db2.gz JUURXACIUOZFFC-QYZOEREBSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1c[nH+]cc1C ZINC001177368667 798884718 /nfs/dbraw/zinc/88/47/18/798884718.db2.gz QVYIKIJXDOOCIS-UHFFFAOYSA-N 2 1 330.476 2.213 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001085422491 800480890 /nfs/dbraw/zinc/48/08/90/800480890.db2.gz VQAMKXGLVPVIOM-IPMKNSEASA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181930531 800962635 /nfs/dbraw/zinc/96/26/35/800962635.db2.gz CVQLTTCFAKVUIB-FRFSOERESA-N 2 1 327.900 2.297 20 30 EEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001182401387 801152751 /nfs/dbraw/zinc/15/27/51/801152751.db2.gz JLQBLBCGTDCDAP-WRWLIDTKSA-N 2 1 344.503 2.404 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182807285 801356419 /nfs/dbraw/zinc/35/64/19/801356419.db2.gz QCIARWLCCRUOJX-VQIMIIECSA-N 2 1 330.476 2.104 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946590719 801612012 /nfs/dbraw/zinc/61/20/12/801612012.db2.gz HVRHJOFDKCGHLT-HSALFYBXSA-N 2 1 345.531 2.465 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184424802 802029802 /nfs/dbraw/zinc/02/98/02/802029802.db2.gz MOUJFVOYZAVQHT-NNVNDSJASA-N 2 1 349.519 2.011 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472235 802161865 /nfs/dbraw/zinc/16/18/65/802161865.db2.gz FLZZCUVEBZVTBC-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001004472235 802161869 /nfs/dbraw/zinc/16/18/69/802161869.db2.gz FLZZCUVEBZVTBC-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001004472235 802161870 /nfs/dbraw/zinc/16/18/70/802161870.db2.gz FLZZCUVEBZVTBC-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001004475560 802175141 /nfs/dbraw/zinc/17/51/41/802175141.db2.gz UTRXUOVBTWVYLQ-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004475560 802175145 /nfs/dbraw/zinc/17/51/45/802175145.db2.gz UTRXUOVBTWVYLQ-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004475560 802175150 /nfs/dbraw/zinc/17/51/50/802175150.db2.gz UTRXUOVBTWVYLQ-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001086110059 802200021 /nfs/dbraw/zinc/20/00/21/802200021.db2.gz RPWTXWMBTCSAIT-SXLOBPIMSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001086110059 802200028 /nfs/dbraw/zinc/20/00/28/802200028.db2.gz RPWTXWMBTCSAIT-SXLOBPIMSA-N 2 1 339.483 2.077 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185225842 802405869 /nfs/dbraw/zinc/40/58/69/802405869.db2.gz MEPQVKDFVUVNQE-IRXDYDNUSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697517 802837276 /nfs/dbraw/zinc/83/72/76/802837276.db2.gz VDIKHCPJCDLTGF-HSALFYBXSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946709899 802862729 /nfs/dbraw/zinc/86/27/29/802862729.db2.gz BNZVTXDSFGXVIF-HDICACEKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001112964476 807714827 /nfs/dbraw/zinc/71/48/27/807714827.db2.gz XVRKURPGVDXCHW-MJGOQNOKSA-N 2 1 349.519 2.129 20 30 EEEDMP CCOC(=O)[C@@H](C#N)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001170373000 809928297 /nfs/dbraw/zinc/92/82/97/809928297.db2.gz DPTATJTYTOPLKK-GDBMZVCRSA-N 2 1 341.415 2.218 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001130711236 811960928 /nfs/dbraw/zinc/96/09/28/811960928.db2.gz RKPVOUZKYRJENM-SFHVURJKSA-N 2 1 346.450 2.024 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001440653199 1093925160 /nfs/dbraw/zinc/92/51/60/1093925160.db2.gz YRQKAVCJTBIIDQ-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001440653199 1093925163 /nfs/dbraw/zinc/92/51/63/1093925163.db2.gz YRQKAVCJTBIIDQ-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001440653199 1093925167 /nfs/dbraw/zinc/92/51/67/1093925167.db2.gz YRQKAVCJTBIIDQ-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cccc(C#N)c1 ZINC001442471101 1096800381 /nfs/dbraw/zinc/80/03/81/1096800381.db2.gz WKJSANVJNTXJMN-IBGZPJMESA-N 2 1 342.487 2.227 20 30 EEEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001442471101 1096800388 /nfs/dbraw/zinc/80/03/88/1096800388.db2.gz WKJSANVJNTXJMN-IBGZPJMESA-N 2 1 342.487 2.227 20 30 EEEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001442471101 1096800395 /nfs/dbraw/zinc/80/03/95/1096800395.db2.gz WKJSANVJNTXJMN-IBGZPJMESA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001446421674 1100834778 /nfs/dbraw/zinc/83/47/78/1100834778.db2.gz QMBWQSFFNMQIPV-UONOGXRCSA-N 2 1 346.313 2.206 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001496370340 1100963446 /nfs/dbraw/zinc/96/34/46/1100963446.db2.gz UGQSBGLHTUAWHM-LPHOPBHVSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C[C@@H]1C ZINC001499852067 1112513039 /nfs/dbraw/zinc/51/30/39/1112513039.db2.gz CYCPNTULRYDKIT-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP COc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1OCCCC#N ZINC000194542278 463880987 /nfs/dbraw/zinc/88/09/87/463880987.db2.gz TXACEVJZBWLKFP-CALCHBBNSA-N 2 1 329.444 2.371 20 30 EEEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000264105465 464283651 /nfs/dbraw/zinc/28/36/51/464283651.db2.gz PHEPNFMNVCYFGN-UHFFFAOYSA-N 2 1 331.508 2.027 20 30 EEEDMP CC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000264136518 464287124 /nfs/dbraw/zinc/28/71/24/464287124.db2.gz ZVWRQTOTOMRYGB-SJLPKXTDSA-N 2 1 331.508 2.068 20 30 EEEDMP CC[C@@H](C)NC(=[NH2+])NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000264136518 464287130 /nfs/dbraw/zinc/28/71/30/464287130.db2.gz ZVWRQTOTOMRYGB-SJLPKXTDSA-N 2 1 331.508 2.068 20 30 EEEDMP CC[C@@H](C)NC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000264136518 464287134 /nfs/dbraw/zinc/28/71/34/464287134.db2.gz ZVWRQTOTOMRYGB-SJLPKXTDSA-N 2 1 331.508 2.068 20 30 EEEDMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329967802 465490538 /nfs/dbraw/zinc/49/05/38/465490538.db2.gz VSAOBJSTXVCXBD-PMPSAXMXSA-N 2 1 333.480 2.070 20 30 EEEDMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329967802 465490544 /nfs/dbraw/zinc/49/05/44/465490544.db2.gz VSAOBJSTXVCXBD-PMPSAXMXSA-N 2 1 333.480 2.070 20 30 EEEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304764808 466315077 /nfs/dbraw/zinc/31/50/77/466315077.db2.gz YLQHFQQERMCPAJ-INIZCTEOSA-N 2 1 327.432 2.400 20 30 EEEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424138071 466987177 /nfs/dbraw/zinc/98/71/77/466987177.db2.gz BSMQLRMQDKRIAP-GUYCJALGSA-N 2 1 325.416 2.379 20 30 EEEDMP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424179629 466998203 /nfs/dbraw/zinc/99/82/03/466998203.db2.gz ZEFLYLVZGLQEOA-CGTJXYLNSA-N 2 1 328.460 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000433608670 467342428 /nfs/dbraw/zinc/34/24/28/467342428.db2.gz ONDYQGJEUKPJOU-GOSISDBHSA-N 2 1 334.508 2.343 20 30 EEEDMP C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000586781285 469064952 /nfs/dbraw/zinc/06/49/52/469064952.db2.gz YMHOAHHITPNCRG-SWDXFRIISA-N 2 1 343.471 2.049 20 30 EEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093132664 526870589 /nfs/dbraw/zinc/87/05/89/526870589.db2.gz MQAIQNPZNQTKTO-LJQANCHMSA-N 2 1 329.488 2.463 20 30 EEEDMP CCCCCNC(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771550307 577217684 /nfs/dbraw/zinc/21/76/84/577217684.db2.gz NSEWAWOPPYTRJD-UHFFFAOYSA-N 2 1 347.532 2.427 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039204981 676087700 /nfs/dbraw/zinc/08/77/00/676087700.db2.gz JGOBMPMTXWITAH-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039204981 676087701 /nfs/dbraw/zinc/08/77/01/676087701.db2.gz JGOBMPMTXWITAH-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039204981 676087702 /nfs/dbraw/zinc/08/77/02/676087702.db2.gz JGOBMPMTXWITAH-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970327020 675790592 /nfs/dbraw/zinc/79/05/92/675790592.db2.gz YNYBSMHKGUCXRM-VQIMIIECSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021619005 676272748 /nfs/dbraw/zinc/27/27/48/676272748.db2.gz IUSOEHLBKNIWCR-QFBILLFUSA-N 2 1 336.439 2.202 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700444 676359720 /nfs/dbraw/zinc/35/97/20/676359720.db2.gz PWZSSBAUASVDEK-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCS[C@H](C(C)C)C2)C1 ZINC000261779240 681187628 /nfs/dbraw/zinc/18/76/28/681187628.db2.gz PBAOZHWUPLEDSI-CVEARBPZSA-N 2 1 326.554 2.367 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@@H](F)CC)CC1 ZINC001024813236 681466126 /nfs/dbraw/zinc/46/61/26/681466126.db2.gz WURYTXVGCMUTHH-ZWKOTPCHSA-N 2 1 337.483 2.050 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768168 682165794 /nfs/dbraw/zinc/16/57/94/682165794.db2.gz WLDUUMPUKRMDKB-DLBZAZTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768168 682165798 /nfs/dbraw/zinc/16/57/98/682165798.db2.gz WLDUUMPUKRMDKB-DLBZAZTESA-N 2 1 330.476 2.158 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258046 682336587 /nfs/dbraw/zinc/33/65/87/682336587.db2.gz CHBYXQGETCWWDY-MSOLQXFVSA-N 2 1 343.471 2.434 20 30 EEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974679271 685216644 /nfs/dbraw/zinc/21/66/44/685216644.db2.gz GSTGLXJNTWLNMG-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974679271 685216647 /nfs/dbraw/zinc/21/66/47/685216647.db2.gz GSTGLXJNTWLNMG-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974679271 685216650 /nfs/dbraw/zinc/21/66/50/685216650.db2.gz GSTGLXJNTWLNMG-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974679271 685216652 /nfs/dbraw/zinc/21/66/52/685216652.db2.gz GSTGLXJNTWLNMG-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029758206 687023280 /nfs/dbraw/zinc/02/32/80/687023280.db2.gz VGTUPYBWYISJEM-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029758206 687023286 /nfs/dbraw/zinc/02/32/86/687023286.db2.gz VGTUPYBWYISJEM-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029758206 687023290 /nfs/dbraw/zinc/02/32/90/687023290.db2.gz VGTUPYBWYISJEM-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029758206 687023296 /nfs/dbraw/zinc/02/32/96/687023296.db2.gz VGTUPYBWYISJEM-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029758206 687023302 /nfs/dbraw/zinc/02/33/02/687023302.db2.gz VGTUPYBWYISJEM-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001029767038 687035128 /nfs/dbraw/zinc/03/51/28/687035128.db2.gz KSFVSROZUIQERW-QFBILLFUSA-N 2 1 342.487 2.179 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001009627770 688045906 /nfs/dbraw/zinc/04/59/06/688045906.db2.gz MKVATWGEYDTSPY-IBGZPJMESA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000986962583 689132047 /nfs/dbraw/zinc/13/20/47/689132047.db2.gz TUZABXAJSVYONY-GDBMZVCRSA-N 2 1 332.448 2.039 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947909230 1192500303 /nfs/dbraw/zinc/50/03/03/1192500303.db2.gz YGSUHHNTHCEBGA-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943770889 1192554512 /nfs/dbraw/zinc/55/45/12/1192554512.db2.gz BMKBSBAWPAHWGN-MAUKXSAKSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943770889 1192554515 /nfs/dbraw/zinc/55/45/15/1192554515.db2.gz BMKBSBAWPAHWGN-MAUKXSAKSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107072549 1193138878 /nfs/dbraw/zinc/13/88/78/1193138878.db2.gz ULIWFKISZDTDIZ-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107072549 1193138880 /nfs/dbraw/zinc/13/88/80/1193138880.db2.gz ULIWFKISZDTDIZ-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC=C)CC1 ZINC001752825453 1187510663 /nfs/dbraw/zinc/51/06/63/1187510663.db2.gz STWBDDSEVJFETO-IBGZPJMESA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539662 1188161050 /nfs/dbraw/zinc/16/10/50/1188161050.db2.gz MNKJANNJCAKJCA-KZNAEPCWSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366460 1194482122 /nfs/dbraw/zinc/48/21/22/1194482122.db2.gz QRIGJXGMXBQCPN-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366460 1194482124 /nfs/dbraw/zinc/48/21/24/1194482124.db2.gz QRIGJXGMXBQCPN-WMZOPIPTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418095 1194541369 /nfs/dbraw/zinc/54/13/69/1194541369.db2.gz ZRMPILLEUAXXRF-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418095 1194541370 /nfs/dbraw/zinc/54/13/70/1194541370.db2.gz ZRMPILLEUAXXRF-DLBZAZTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001033837292 1195355902 /nfs/dbraw/zinc/35/59/02/1195355902.db2.gz HACOYHAASIQDRI-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001033837292 1195355906 /nfs/dbraw/zinc/35/59/06/1195355906.db2.gz HACOYHAASIQDRI-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC[C@@H](C)F)C2)CC1 ZINC001034045494 1195697101 /nfs/dbraw/zinc/69/71/01/1195697101.db2.gz JWYSRSCRSAFKDT-AEFFLSMTSA-N 2 1 337.483 2.003 20 30 EEEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001034644777 1196466455 /nfs/dbraw/zinc/46/64/55/1196466455.db2.gz NKYPIOKEUHDMMT-BZSNNMDCSA-N 2 1 331.504 2.291 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001086717038 1199303625 /nfs/dbraw/zinc/30/36/25/1199303625.db2.gz CMVVFJCHDPQSLC-SCTDSRPQSA-N 2 1 349.519 2.080 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132215321 1199441229 /nfs/dbraw/zinc/44/12/29/1199441229.db2.gz VTHIODRERZGNHQ-IRXDYDNUSA-N 2 1 337.508 2.033 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001132273484 1199520286 /nfs/dbraw/zinc/52/02/86/1199520286.db2.gz GGDPMXRQXWRDAY-WMLDXEAASA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001132273484 1199520288 /nfs/dbraw/zinc/52/02/88/1199520288.db2.gz GGDPMXRQXWRDAY-WMLDXEAASA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132348967 1199612033 /nfs/dbraw/zinc/61/20/33/1199612033.db2.gz VVEXFGWXBRVUKZ-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132348967 1199612037 /nfs/dbraw/zinc/61/20/37/1199612037.db2.gz VVEXFGWXBRVUKZ-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086695147 1200074659 /nfs/dbraw/zinc/07/46/59/1200074659.db2.gz DFEQKPHOOKIQGZ-ARFHVFGLSA-N 2 1 327.900 2.486 20 30 EEEDMP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001133410664 1200879479 /nfs/dbraw/zinc/87/94/79/1200879479.db2.gz UJIXSDACYAQTQL-QGZVFWFLSA-N 2 1 347.890 2.233 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OC2CCCC2)c1 ZINC000104164156 1204611643 /nfs/dbraw/zinc/61/16/43/1204611643.db2.gz WTHDCCKMMNRGES-MRXNPFEDSA-N 2 1 345.491 2.292 20 30 EEEDMP C#CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000926530366 1206226177 /nfs/dbraw/zinc/22/61/77/1206226177.db2.gz NANAYPSLTVFEES-YQQQUEKLSA-N 2 1 328.456 2.430 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948378269 1209101605 /nfs/dbraw/zinc/10/16/05/1209101605.db2.gz SQFDRHWLBRIIPT-IRXDYDNUSA-N 2 1 339.911 2.394 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642667 1209268737 /nfs/dbraw/zinc/26/87/37/1209268737.db2.gz NASCAGGMPHEJND-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000959907927 1216219451 /nfs/dbraw/zinc/21/94/51/1216219451.db2.gz CYPSLCOSXCJPSO-YSHGAJCASA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000959907927 1216219457 /nfs/dbraw/zinc/21/94/57/1216219457.db2.gz CYPSLCOSXCJPSO-YSHGAJCASA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000959907927 1216219461 /nfs/dbraw/zinc/21/94/61/1216219461.db2.gz CYPSLCOSXCJPSO-YSHGAJCASA-N 2 1 331.504 2.264 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3cncn3C)C2)C1 ZINC000961262853 1217116961 /nfs/dbraw/zinc/11/69/61/1217116961.db2.gz QNXBATGIYYKYEF-IAGOWNOFSA-N 2 1 330.476 2.099 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327545 1217523002 /nfs/dbraw/zinc/52/30/02/1217523002.db2.gz DFCRTPXAZWONBE-PKOBYXMFSA-N 2 1 336.439 2.284 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963428219 1217622404 /nfs/dbraw/zinc/62/24/04/1217622404.db2.gz KEMFMBBTNNTYOO-RBUKOAKNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887412 1221646977 /nfs/dbraw/zinc/64/69/77/1221646977.db2.gz DFTKSNNXRBEPAO-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887412 1221646980 /nfs/dbraw/zinc/64/69/80/1221646980.db2.gz DFTKSNNXRBEPAO-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968887412 1221646984 /nfs/dbraw/zinc/64/69/84/1221646984.db2.gz DFTKSNNXRBEPAO-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008990772 1223105955 /nfs/dbraw/zinc/10/59/55/1223105955.db2.gz AQQIAWKUKJTMBL-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008990772 1223105958 /nfs/dbraw/zinc/10/59/58/1223105958.db2.gz AQQIAWKUKJTMBL-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001016818413 1226901897 /nfs/dbraw/zinc/90/18/97/1226901897.db2.gz DKQKHJUWKLJYFP-OXQOHEQNSA-N 2 1 349.494 2.193 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001018984959 1228607064 /nfs/dbraw/zinc/60/70/64/1228607064.db2.gz HGMUEPJFNVZMTO-PMACEKPBSA-N 2 1 339.483 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001018984959 1228607066 /nfs/dbraw/zinc/60/70/66/1228607066.db2.gz HGMUEPJFNVZMTO-PMACEKPBSA-N 2 1 339.483 2.092 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001018985475 1228607195 /nfs/dbraw/zinc/60/71/95/1228607195.db2.gz UGEIGGDPFGNURV-NEWSRXKRSA-N 2 1 325.456 2.036 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001018985475 1228607199 /nfs/dbraw/zinc/60/71/99/1228607199.db2.gz UGEIGGDPFGNURV-NEWSRXKRSA-N 2 1 325.456 2.036 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155809 1230375458 /nfs/dbraw/zinc/37/54/58/1230375458.db2.gz DNXJKBDTELPFGJ-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039233238 1230465967 /nfs/dbraw/zinc/46/59/67/1230465967.db2.gz JJEUXDYOKCMTQZ-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039233238 1230465969 /nfs/dbraw/zinc/46/59/69/1230465969.db2.gz JJEUXDYOKCMTQZ-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039233238 1230465972 /nfs/dbraw/zinc/46/59/72/1230465972.db2.gz JJEUXDYOKCMTQZ-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001039251253 1230487663 /nfs/dbraw/zinc/48/76/63/1230487663.db2.gz QYBFMEYBQJGAKO-RTBURBONSA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001039375308 1230561487 /nfs/dbraw/zinc/56/14/87/1230561487.db2.gz XFAWHBHWLRTLII-SXLOBPIMSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001039375308 1230561488 /nfs/dbraw/zinc/56/14/88/1230561488.db2.gz XFAWHBHWLRTLII-SXLOBPIMSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001039375308 1230561489 /nfs/dbraw/zinc/56/14/89/1230561489.db2.gz XFAWHBHWLRTLII-SXLOBPIMSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377111 1230563127 /nfs/dbraw/zinc/56/31/27/1230563127.db2.gz FLLOCQQLMWUGPH-KSZLIROESA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377111 1230563129 /nfs/dbraw/zinc/56/31/29/1230563129.db2.gz FLLOCQQLMWUGPH-KSZLIROESA-N 2 1 342.487 2.485 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001039437615 1230610087 /nfs/dbraw/zinc/61/00/87/1230610087.db2.gz QOXPVWBWJWPNGY-KURKYZTESA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001039437615 1230610089 /nfs/dbraw/zinc/61/00/89/1230610089.db2.gz QOXPVWBWJWPNGY-KURKYZTESA-N 2 1 342.487 2.395 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040200902 1231097279 /nfs/dbraw/zinc/09/72/79/1231097279.db2.gz JHRKOIRJABWEQR-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040200902 1231097283 /nfs/dbraw/zinc/09/72/83/1231097283.db2.gz JHRKOIRJABWEQR-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040200902 1231097286 /nfs/dbraw/zinc/09/72/86/1231097286.db2.gz JHRKOIRJABWEQR-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347368 1231181138 /nfs/dbraw/zinc/18/11/38/1231181138.db2.gz KAIMKOUDGQDPTJ-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347368 1231181141 /nfs/dbraw/zinc/18/11/41/1231181141.db2.gz KAIMKOUDGQDPTJ-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347368 1231181142 /nfs/dbraw/zinc/18/11/42/1231181142.db2.gz KAIMKOUDGQDPTJ-PZJWPPBQSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001040432621 1231229511 /nfs/dbraw/zinc/22/95/11/1231229511.db2.gz ODVCKOZEQXZPEU-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001040432621 1231229513 /nfs/dbraw/zinc/22/95/13/1231229513.db2.gz ODVCKOZEQXZPEU-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040847848 1231387094 /nfs/dbraw/zinc/38/70/94/1231387094.db2.gz AHFROMXIJYRITP-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041723340 1231661905 /nfs/dbraw/zinc/66/19/05/1231661905.db2.gz FYZBHBNFMLEOQF-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041723340 1231661906 /nfs/dbraw/zinc/66/19/06/1231661906.db2.gz FYZBHBNFMLEOQF-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CCC(=C)C)C3)C2)CC1 ZINC001041844770 1231728051 /nfs/dbraw/zinc/72/80/51/1231728051.db2.gz MPXQQXFRCWNPRW-NRFANRHFSA-N 2 1 343.515 2.222 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845863 1231728725 /nfs/dbraw/zinc/72/87/25/1231728725.db2.gz PVIPZFDHGCUJEL-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC001045385462 1233711236 /nfs/dbraw/zinc/71/12/36/1233711236.db2.gz PRTKBOMDXFSQLJ-LJQANCHMSA-N 2 1 339.483 2.103 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045967563 1234247820 /nfs/dbraw/zinc/24/78/20/1234247820.db2.gz XLQYPZKRGKVCAJ-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045967563 1234247822 /nfs/dbraw/zinc/24/78/22/1234247822.db2.gz XLQYPZKRGKVCAJ-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979842 1234269726 /nfs/dbraw/zinc/26/97/26/1234269726.db2.gz KJLQOEKCSHRELB-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045979842 1234269728 /nfs/dbraw/zinc/26/97/28/1234269728.db2.gz KJLQOEKCSHRELB-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045979842 1234269729 /nfs/dbraw/zinc/26/97/29/1234269729.db2.gz KJLQOEKCSHRELB-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001000195684 1240051375 /nfs/dbraw/zinc/05/13/75/1240051375.db2.gz ZHQNANXYVOYUBT-LSDHHAIUSA-N 2 1 346.500 2.185 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049753507 1242093124 /nfs/dbraw/zinc/09/31/24/1242093124.db2.gz KKKVMPAWGHLHBH-IRXDYDNUSA-N 2 1 328.460 2.095 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049753507 1242093131 /nfs/dbraw/zinc/09/31/31/1242093131.db2.gz KKKVMPAWGHLHBH-IRXDYDNUSA-N 2 1 328.460 2.095 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462455 1242507058 /nfs/dbraw/zinc/50/70/58/1242507058.db2.gz SGNPBXAJAQMBPZ-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001073678684 1242638706 /nfs/dbraw/zinc/63/87/06/1242638706.db2.gz BMQGLRQIUHRQTE-GOSISDBHSA-N 2 1 342.443 2.121 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001073821304 1242735121 /nfs/dbraw/zinc/73/51/21/1242735121.db2.gz GMJARGVRZANSPB-LJQANCHMSA-N 2 1 345.487 2.145 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001050103383 1242874514 /nfs/dbraw/zinc/87/45/14/1242874514.db2.gz GSXSVLAAXTVWPE-OTWHNJEPSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CN(CC)CC)o1)C2 ZINC001096643080 1243035055 /nfs/dbraw/zinc/03/50/55/1243035055.db2.gz DUQUHEHFSFLKFL-PVAVHDDUSA-N 2 1 329.444 2.090 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052701275 1244783654 /nfs/dbraw/zinc/78/36/54/1244783654.db2.gz CALFXXHCSJBBRT-LPHOPBHVSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701275 1244783655 /nfs/dbraw/zinc/78/36/55/1244783655.db2.gz CALFXXHCSJBBRT-LPHOPBHVSA-N 2 1 337.483 2.193 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701275 1244783656 /nfs/dbraw/zinc/78/36/56/1244783656.db2.gz CALFXXHCSJBBRT-LPHOPBHVSA-N 2 1 337.483 2.193 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052827916 1245093560 /nfs/dbraw/zinc/09/35/60/1245093560.db2.gz XAJXRBLAVWPVCA-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052827916 1245093567 /nfs/dbraw/zinc/09/35/67/1245093567.db2.gz XAJXRBLAVWPVCA-INIZCTEOSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036612 1245735353 /nfs/dbraw/zinc/73/53/53/1245735353.db2.gz NRLJOUWDRKWQAN-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001101574833 1245978648 /nfs/dbraw/zinc/97/86/48/1245978648.db2.gz GEAUKENDIXTRJM-UHFFFAOYSA-N 2 1 333.520 2.206 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145508 1247520284 /nfs/dbraw/zinc/52/02/84/1247520284.db2.gz QWZQJWXDZYMWDZ-FXAWDEMLSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145508 1247520297 /nfs/dbraw/zinc/52/02/97/1247520297.db2.gz QWZQJWXDZYMWDZ-FXAWDEMLSA-N 2 1 340.471 2.098 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054198519 1247691914 /nfs/dbraw/zinc/69/19/14/1247691914.db2.gz YVMMWUUPATXLTK-MAUKXSAKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198519 1247691923 /nfs/dbraw/zinc/69/19/23/1247691923.db2.gz YVMMWUUPATXLTK-MAUKXSAKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198519 1247691933 /nfs/dbraw/zinc/69/19/33/1247691933.db2.gz YVMMWUUPATXLTK-MAUKXSAKSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052654076 1247782796 /nfs/dbraw/zinc/78/27/96/1247782796.db2.gz UNTJZUNDZPFCKE-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052654076 1247782803 /nfs/dbraw/zinc/78/28/03/1247782803.db2.gz UNTJZUNDZPFCKE-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052654076 1247782806 /nfs/dbraw/zinc/78/28/06/1247782806.db2.gz UNTJZUNDZPFCKE-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052654076 1247782810 /nfs/dbraw/zinc/78/28/10/1247782810.db2.gz UNTJZUNDZPFCKE-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246111 1247866487 /nfs/dbraw/zinc/86/64/87/1247866487.db2.gz NZLHERDZNSCGEE-CTNGQTDRSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246111 1247866498 /nfs/dbraw/zinc/86/64/98/1247866498.db2.gz NZLHERDZNSCGEE-CTNGQTDRSA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001072910114 1255482179 /nfs/dbraw/zinc/48/21/79/1255482179.db2.gz UNZZRXMSNYYDFO-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072910114 1255482182 /nfs/dbraw/zinc/48/21/82/1255482182.db2.gz UNZZRXMSNYYDFO-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001072910114 1255482186 /nfs/dbraw/zinc/48/21/86/1255482186.db2.gz UNZZRXMSNYYDFO-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050291 1255612370 /nfs/dbraw/zinc/61/23/70/1255612370.db2.gz SBXWUDKQXUTJPJ-JKSUJKDBSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050291 1255612380 /nfs/dbraw/zinc/61/23/80/1255612380.db2.gz SBXWUDKQXUTJPJ-JKSUJKDBSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001073050291 1255612396 /nfs/dbraw/zinc/61/23/96/1255612396.db2.gz SBXWUDKQXUTJPJ-JKSUJKDBSA-N 2 1 337.895 2.290 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073050291 1255612410 /nfs/dbraw/zinc/61/24/10/1255612410.db2.gz SBXWUDKQXUTJPJ-JKSUJKDBSA-N 2 1 337.895 2.290 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099262032 1258048603 /nfs/dbraw/zinc/04/86/03/1258048603.db2.gz BMHLMRBFYJKLMT-RRFJBIMHSA-N 2 1 347.425 2.414 20 30 EEEDMP C=CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001099527946 1258191981 /nfs/dbraw/zinc/19/19/81/1258191981.db2.gz FGOYMNISOGMPSA-MHORFTMASA-N 2 1 333.520 2.319 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099527946 1258191982 /nfs/dbraw/zinc/19/19/82/1258191982.db2.gz FGOYMNISOGMPSA-MHORFTMASA-N 2 1 333.520 2.319 20 30 EEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099527946 1258191984 /nfs/dbraw/zinc/19/19/84/1258191984.db2.gz FGOYMNISOGMPSA-MHORFTMASA-N 2 1 333.520 2.319 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190722660 1281033116 /nfs/dbraw/zinc/03/31/16/1281033116.db2.gz FPIICGRVOBQFNG-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190722660 1281033127 /nfs/dbraw/zinc/03/31/27/1281033127.db2.gz FPIICGRVOBQFNG-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190722660 1281033138 /nfs/dbraw/zinc/03/31/38/1281033138.db2.gz FPIICGRVOBQFNG-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190722660 1281033147 /nfs/dbraw/zinc/03/31/47/1281033147.db2.gz FPIICGRVOBQFNG-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190722660 1281033158 /nfs/dbraw/zinc/03/31/58/1281033158.db2.gz FPIICGRVOBQFNG-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191069678 1281198679 /nfs/dbraw/zinc/19/86/79/1281198679.db2.gz JRQMBVPFUWKAEN-HUUCEWRRSA-N 2 1 334.464 2.237 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191069678 1281198681 /nfs/dbraw/zinc/19/86/81/1281198681.db2.gz JRQMBVPFUWKAEN-HUUCEWRRSA-N 2 1 334.464 2.237 20 30 EEEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192848889 1282209966 /nfs/dbraw/zinc/20/99/66/1282209966.db2.gz YHVHCSVVNWFMTJ-LJQANCHMSA-N 2 1 345.487 2.097 20 30 EEEDMP C=CCOCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448112 1284594716 /nfs/dbraw/zinc/59/47/16/1284594716.db2.gz QIOXYSZKZJXUOU-UHFFFAOYSA-N 2 1 345.487 2.099 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001072800121 1296156753 /nfs/dbraw/zinc/15/67/53/1296156753.db2.gz CQAWHRFZJHUBDN-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001072800121 1296156763 /nfs/dbraw/zinc/15/67/63/1296156763.db2.gz CQAWHRFZJHUBDN-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001072800121 1296156773 /nfs/dbraw/zinc/15/67/73/1296156773.db2.gz CQAWHRFZJHUBDN-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001072800121 1296156774 /nfs/dbraw/zinc/15/67/74/1296156774.db2.gz CQAWHRFZJHUBDN-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001215161747 1296744823 /nfs/dbraw/zinc/74/48/23/1296744823.db2.gz CSYPUURTEHHYII-NVXWUHKLSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C)C(C)C ZINC001220600227 1298470233 /nfs/dbraw/zinc/47/02/33/1298470233.db2.gz FLUWJHHKGBGMQU-QZTJIDSGSA-N 2 1 336.524 2.469 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001223938082 1300339957 /nfs/dbraw/zinc/33/99/57/1300339957.db2.gz QKFCPEOWGKTYLV-UHFFFAOYSA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102184265 1300519880 /nfs/dbraw/zinc/51/98/80/1300519880.db2.gz AMBUXBXOYYSDIS-QZTJIDSGSA-N 2 1 333.520 2.206 20 30 EEEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001224796910 1300740934 /nfs/dbraw/zinc/74/09/34/1300740934.db2.gz UYLNZWCACAFEBI-OALUTQOASA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102377099 1300957157 /nfs/dbraw/zinc/95/71/57/1300957157.db2.gz OEPFCTRONSTHIV-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102377099 1300957158 /nfs/dbraw/zinc/95/71/58/1300957158.db2.gz OEPFCTRONSTHIV-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102377099 1300957161 /nfs/dbraw/zinc/95/71/61/1300957161.db2.gz OEPFCTRONSTHIV-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001225542269 1301049920 /nfs/dbraw/zinc/04/99/20/1301049920.db2.gz JMQBQCJGXYZPQV-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227792156 1301966814 /nfs/dbraw/zinc/96/68/14/1301966814.db2.gz LJSKXRUGXBGOOZ-IBGZPJMESA-N 2 1 349.519 2.177 20 30 EEEDMP CC(C)[C@@H](C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001227899326 1302002393 /nfs/dbraw/zinc/00/23/93/1302002393.db2.gz DZVXJFVROSVTDN-FQEVSTJZSA-N 2 1 341.499 2.205 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001228167576 1302136047 /nfs/dbraw/zinc/13/60/47/1302136047.db2.gz OQDOCBGRNGZTSR-KZNAEPCWSA-N 2 1 337.508 2.079 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001228167576 1302136051 /nfs/dbraw/zinc/13/60/51/1302136051.db2.gz OQDOCBGRNGZTSR-KZNAEPCWSA-N 2 1 337.508 2.079 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCC=C)C[C@H]1C ZINC001103099119 1302221744 /nfs/dbraw/zinc/22/17/44/1302221744.db2.gz BMVURTORJIYRDN-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCCC=C)C[C@H]1C ZINC001103099119 1302221756 /nfs/dbraw/zinc/22/17/56/1302221756.db2.gz BMVURTORJIYRDN-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCC=C)C[C@H]1C ZINC001103099119 1302221765 /nfs/dbraw/zinc/22/17/65/1302221765.db2.gz BMVURTORJIYRDN-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCC=C)C[C@H]1C ZINC001103099119 1302221776 /nfs/dbraw/zinc/22/17/76/1302221776.db2.gz BMVURTORJIYRDN-QRVBRYPASA-N 2 1 331.504 2.124 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483722 1303017110 /nfs/dbraw/zinc/01/71/10/1303017110.db2.gz NFZLPVXIYYCCQL-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483722 1303017118 /nfs/dbraw/zinc/01/71/18/1303017118.db2.gz NFZLPVXIYYCCQL-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166268 1304291039 /nfs/dbraw/zinc/29/10/39/1304291039.db2.gz MAOMNSWRPKNBII-RBSFLKMASA-N 2 1 347.425 2.273 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234401908 1304910539 /nfs/dbraw/zinc/91/05/39/1304910539.db2.gz IGFMUTOEJDZZND-IAGOWNOFSA-N 2 1 348.491 2.132 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234401908 1304910544 /nfs/dbraw/zinc/91/05/44/1304910544.db2.gz IGFMUTOEJDZZND-IAGOWNOFSA-N 2 1 348.491 2.132 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001115578083 1305414474 /nfs/dbraw/zinc/41/44/74/1305414474.db2.gz YLVRFAILYTVGBL-SJORKVTESA-N 2 1 337.483 2.241 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001115578083 1305414481 /nfs/dbraw/zinc/41/44/81/1305414481.db2.gz YLVRFAILYTVGBL-SJORKVTESA-N 2 1 337.483 2.241 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150036480 1316134588 /nfs/dbraw/zinc/13/45/88/1316134588.db2.gz OPQQITPEBQOFFP-QGZVFWFLSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150299706 1316229455 /nfs/dbraw/zinc/22/94/55/1316229455.db2.gz RECFLDZWPLSHHX-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001151129075 1316454508 /nfs/dbraw/zinc/45/45/08/1316454508.db2.gz WZFJZHBPHJIDAL-QGZVFWFLSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCOC[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001252498922 1317617874 /nfs/dbraw/zinc/61/78/74/1317617874.db2.gz SIHLUNUWDHHIRI-YZGWKJHDSA-N 2 1 332.488 2.298 20 30 EEEDMP C=CCC[C@H](O)C[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001252620857 1317648041 /nfs/dbraw/zinc/64/80/41/1317648041.db2.gz PSIQPTCQCNRXQB-UFYCRDLUSA-N 2 1 335.536 2.242 20 30 EEEDMP CCCCCCCCCC[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252983554 1317745609 /nfs/dbraw/zinc/74/56/09/1317745609.db2.gz XQDOPUPJYVDZQE-LJQANCHMSA-N 2 1 346.556 2.144 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478914 1320173151 /nfs/dbraw/zinc/17/31/51/1320173151.db2.gz DNXQGTKIWDHDLB-ZHALLVOQSA-N 2 1 349.519 2.199 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478914 1320173153 /nfs/dbraw/zinc/17/31/53/1320173153.db2.gz DNXQGTKIWDHDLB-ZHALLVOQSA-N 2 1 349.519 2.199 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160478914 1320173156 /nfs/dbraw/zinc/17/31/56/1320173156.db2.gz DNXQGTKIWDHDLB-ZHALLVOQSA-N 2 1 349.519 2.199 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160478914 1320173158 /nfs/dbraw/zinc/17/31/58/1320173158.db2.gz DNXQGTKIWDHDLB-ZHALLVOQSA-N 2 1 349.519 2.199 20 30 EEEDMP C=CC[N@H+]1CC=C(CCNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001161214050 1320422329 /nfs/dbraw/zinc/42/23/29/1320422329.db2.gz QPQNSNHENUWCDM-UHFFFAOYSA-N 2 1 344.459 2.208 20 30 EEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001161214050 1320422330 /nfs/dbraw/zinc/42/23/30/1320422330.db2.gz QPQNSNHENUWCDM-UHFFFAOYSA-N 2 1 344.459 2.208 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001161649511 1320570229 /nfs/dbraw/zinc/57/02/29/1320570229.db2.gz KQPKOYDGPJGZSF-IBGZPJMESA-N 2 1 342.487 2.275 20 30 EEEDMP C=CCCC[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)(COC)CC1 ZINC001162617277 1320912992 /nfs/dbraw/zinc/91/29/92/1320912992.db2.gz DRNRWPPGHVBOLY-UHFFFAOYSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001165464597 1321530313 /nfs/dbraw/zinc/53/03/13/1321530313.db2.gz HHDMDFADDBWMAX-SFHVURJKSA-N 2 1 349.519 2.082 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001166667979 1321761520 /nfs/dbraw/zinc/76/15/20/1321761520.db2.gz NCCAGIHEIOMMNE-MRXNPFEDSA-N 2 1 347.890 2.129 20 30 EEEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2(C)COC2)cc1C#N ZINC001276415807 1321941877 /nfs/dbraw/zinc/94/18/77/1321941877.db2.gz SGLXHOXAUFQYCK-ALOPSCKCSA-N 2 1 328.460 2.018 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001203925863 1321991567 /nfs/dbraw/zinc/99/15/67/1321991567.db2.gz WXGJCUSTJXMWJR-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCCO2)CC3)cc1C#N ZINC001276431056 1321998518 /nfs/dbraw/zinc/99/85/18/1321998518.db2.gz AJCVFBJRNSFYOG-IBGZPJMESA-N 2 1 342.487 2.364 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205456363 1323143772 /nfs/dbraw/zinc/14/37/72/1323143772.db2.gz SCUZLURGOHIYDE-YTQUADARSA-N 2 1 345.462 2.238 20 30 EEEDMP C[NH+]1CCC(CC[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001207484866 1323991293 /nfs/dbraw/zinc/99/12/93/1323991293.db2.gz OCBWNYBAAHQAJR-UHFFFAOYSA-N 2 1 327.476 2.197 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411423 1324481281 /nfs/dbraw/zinc/48/12/81/1324481281.db2.gz UAMOQFRVEXKAJR-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411423 1324481285 /nfs/dbraw/zinc/48/12/85/1324481285.db2.gz UAMOQFRVEXKAJR-KZNAEPCWSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001209427192 1324931244 /nfs/dbraw/zinc/93/12/44/1324931244.db2.gz JCOHUISRJBYMFX-UHFFFAOYSA-N 2 1 343.519 2.375 20 30 EEEDMP C=CCCCCC[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001209427192 1324931249 /nfs/dbraw/zinc/93/12/49/1324931249.db2.gz JCOHUISRJBYMFX-UHFFFAOYSA-N 2 1 343.519 2.375 20 30 EEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210645832 1325365957 /nfs/dbraw/zinc/36/59/57/1325365957.db2.gz UZHBKAIAWIKHOY-RBUKOAKNSA-N 2 1 327.472 2.283 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001201094108 1368779039 /nfs/dbraw/zinc/77/90/39/1368779039.db2.gz NXAWITCNCCGCMJ-SFHVURJKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001201094108 1368779041 /nfs/dbraw/zinc/77/90/41/1368779041.db2.gz NXAWITCNCCGCMJ-SFHVURJKSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001112353340 1371410087 /nfs/dbraw/zinc/41/00/87/1371410087.db2.gz CNFDFXIFGQUTJC-NSHGMRRFSA-N 2 1 331.504 2.101 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001366443273 1373899901 /nfs/dbraw/zinc/89/99/01/1373899901.db2.gz XYWJHXOKXKGQRB-RBUKOAKNSA-N 2 1 342.487 2.417 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001367168768 1374111947 /nfs/dbraw/zinc/11/19/47/1374111947.db2.gz BWWUQLDMFSILSK-AEFFLSMTSA-N 2 1 346.500 2.088 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001376065350 1378273422 /nfs/dbraw/zinc/27/34/22/1378273422.db2.gz AROSAVPIXRXPAX-RBUKOAKNSA-N 2 1 342.487 2.225 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001376065350 1378273434 /nfs/dbraw/zinc/27/34/34/1378273434.db2.gz AROSAVPIXRXPAX-RBUKOAKNSA-N 2 1 342.487 2.225 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CN(C)Cc3ccccc3)C[C@H]2C1 ZINC001376409491 1378527537 /nfs/dbraw/zinc/52/75/37/1378527537.db2.gz FVKZCBZRCQSVOJ-HDICACEKSA-N 2 1 347.890 2.261 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001390921748 1388878349 /nfs/dbraw/zinc/87/83/49/1388878349.db2.gz CNXPHUUTVRDEFP-MRXNPFEDSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001390921748 1388878353 /nfs/dbraw/zinc/87/83/53/1388878353.db2.gz CNXPHUUTVRDEFP-MRXNPFEDSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)s1 ZINC001390921748 1388878355 /nfs/dbraw/zinc/87/83/55/1388878355.db2.gz CNXPHUUTVRDEFP-MRXNPFEDSA-N 2 1 334.489 2.042 20 30 EEEDMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC001390921748 1388878357 /nfs/dbraw/zinc/87/83/57/1388878357.db2.gz CNXPHUUTVRDEFP-MRXNPFEDSA-N 2 1 334.489 2.042 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC001391592379 1389457860 /nfs/dbraw/zinc/45/78/60/1389457860.db2.gz GXKHSTUXUIRVPT-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001754313428 1406889339 /nfs/dbraw/zinc/88/93/39/1406889339.db2.gz VYEUCSMDJNFBNF-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001754313428 1406889345 /nfs/dbraw/zinc/88/93/45/1406889345.db2.gz VYEUCSMDJNFBNF-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001754313428 1406889349 /nfs/dbraw/zinc/88/93/49/1406889349.db2.gz VYEUCSMDJNFBNF-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001754313428 1406889354 /nfs/dbraw/zinc/88/93/54/1406889354.db2.gz VYEUCSMDJNFBNF-UYAOXDASSA-N 2 1 341.499 2.349 20 30 EEEDMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001422518669 1399977699 /nfs/dbraw/zinc/97/76/99/1399977699.db2.gz BTCPENDJOJBFJH-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001422518669 1399977702 /nfs/dbraw/zinc/97/77/02/1399977702.db2.gz BTCPENDJOJBFJH-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001422547479 1400006068 /nfs/dbraw/zinc/00/60/68/1400006068.db2.gz CFYOMDRKMQWPFV-CYBMUJFWSA-N 2 1 336.505 2.192 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001422705268 1400141916 /nfs/dbraw/zinc/14/19/16/1400141916.db2.gz UNTYEBSXUFRUQL-HNNXBMFYSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001422705268 1400141918 /nfs/dbraw/zinc/14/19/18/1400141918.db2.gz UNTYEBSXUFRUQL-HNNXBMFYSA-N 2 1 327.900 2.442 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001423423958 1400574342 /nfs/dbraw/zinc/57/43/42/1400574342.db2.gz ZWMPVQGDJOEUOM-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001423423958 1400574344 /nfs/dbraw/zinc/57/43/44/1400574344.db2.gz ZWMPVQGDJOEUOM-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001423423958 1400574348 /nfs/dbraw/zinc/57/43/48/1400574348.db2.gz ZWMPVQGDJOEUOM-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001755477720 1407513233 /nfs/dbraw/zinc/51/32/33/1407513233.db2.gz ZAMIWKUOZDMWIN-ULQDDVLXSA-N 2 1 330.476 2.205 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001755591877 1407662202 /nfs/dbraw/zinc/66/22/02/1407662202.db2.gz SLEJBZGXEWNECC-HKUYNNGSSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001755591877 1407662205 /nfs/dbraw/zinc/66/22/05/1407662205.db2.gz SLEJBZGXEWNECC-HKUYNNGSSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCC=C)CC1 ZINC001755848421 1407899446 /nfs/dbraw/zinc/89/94/46/1407899446.db2.gz HNJKGAXCTRGFRD-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCC=C)CC1 ZINC001755848421 1407899449 /nfs/dbraw/zinc/89/94/49/1407899449.db2.gz HNJKGAXCTRGFRD-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439741 782356109 /nfs/dbraw/zinc/35/61/09/782356109.db2.gz UEHQZVXFBQERCL-MJGOQNOKSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439741 782356120 /nfs/dbraw/zinc/35/61/20/782356120.db2.gz UEHQZVXFBQERCL-MJGOQNOKSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439741 782356129 /nfs/dbraw/zinc/35/61/29/782356129.db2.gz UEHQZVXFBQERCL-MJGOQNOKSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448091 760371417 /nfs/dbraw/zinc/37/14/17/760371417.db2.gz NOVQMYCQJCSJIK-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448091 760371428 /nfs/dbraw/zinc/37/14/28/760371428.db2.gz NOVQMYCQJCSJIK-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448091 760371436 /nfs/dbraw/zinc/37/14/36/760371436.db2.gz NOVQMYCQJCSJIK-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1c[nH+]cc1C ZINC001087297772 761518236 /nfs/dbraw/zinc/51/82/36/761518236.db2.gz TUQAMFDJMRAMRZ-BPQIPLTHSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1c[nH+]cc1C ZINC001087297772 761518242 /nfs/dbraw/zinc/51/82/42/761518242.db2.gz TUQAMFDJMRAMRZ-BPQIPLTHSA-N 2 1 330.476 2.373 20 30 EEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104680121 764720269 /nfs/dbraw/zinc/72/02/69/764720269.db2.gz PSYGYPUCFRSTSE-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001104896146 765522630 /nfs/dbraw/zinc/52/26/30/765522630.db2.gz MOJMFGZJEDBQHM-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971720 782670444 /nfs/dbraw/zinc/67/04/44/782670444.db2.gz PDQSULUJWLIPHA-KSZLIROESA-N 2 1 342.487 2.200 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971720 782670447 /nfs/dbraw/zinc/67/04/47/782670447.db2.gz PDQSULUJWLIPHA-KSZLIROESA-N 2 1 342.487 2.200 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4nccn43)C[C@@H]2C1 ZINC001087994005 782732946 /nfs/dbraw/zinc/73/29/46/782732946.db2.gz MWYIYAPWWQXBKX-PMPSAXMXSA-N 2 1 348.878 2.293 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4nccn43)C[C@@H]2C1 ZINC001087994005 782732951 /nfs/dbraw/zinc/73/29/51/782732951.db2.gz MWYIYAPWWQXBKX-PMPSAXMXSA-N 2 1 348.878 2.293 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457604 769412672 /nfs/dbraw/zinc/41/26/72/769412672.db2.gz CLHUFEGZUYVKIG-QGZVFWFLSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088019925 782778033 /nfs/dbraw/zinc/77/80/33/782778033.db2.gz MPXSAJBQCCULOK-SJORKVTESA-N 2 1 336.439 2.060 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC(C)(C)C1 ZINC001089548558 770254990 /nfs/dbraw/zinc/25/49/90/770254990.db2.gz LNYGMDIPCUPLFB-PXNSSMCTSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC(C)(C)C1 ZINC001089548558 770254999 /nfs/dbraw/zinc/25/49/99/770254999.db2.gz LNYGMDIPCUPLFB-PXNSSMCTSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC(C)(C)C1 ZINC001089548558 770255007 /nfs/dbraw/zinc/25/50/07/770255007.db2.gz LNYGMDIPCUPLFB-PXNSSMCTSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001087427951 773671781 /nfs/dbraw/zinc/67/17/81/773671781.db2.gz FGWBJMQHIHRUQK-VBSBHUPXSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001087427951 773671785 /nfs/dbraw/zinc/67/17/85/773671785.db2.gz FGWBJMQHIHRUQK-VBSBHUPXSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001087427951 773671788 /nfs/dbraw/zinc/67/17/88/773671788.db2.gz FGWBJMQHIHRUQK-VBSBHUPXSA-N 2 1 341.499 2.487 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC000980083252 773838937 /nfs/dbraw/zinc/83/89/37/773838937.db2.gz HNVDTZDQSBERPU-HRCADAONSA-N 2 1 346.475 2.143 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC000980083252 773838939 /nfs/dbraw/zinc/83/89/39/773838939.db2.gz HNVDTZDQSBERPU-HRCADAONSA-N 2 1 346.475 2.143 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001031740852 774185590 /nfs/dbraw/zinc/18/55/90/774185590.db2.gz MFIBLPIZLINWLJ-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001031740852 774185594 /nfs/dbraw/zinc/18/55/94/774185594.db2.gz MFIBLPIZLINWLJ-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779433 783190751 /nfs/dbraw/zinc/19/07/51/783190751.db2.gz ORPCXVSFLZEHRH-OKYOBFRVSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779433 783190760 /nfs/dbraw/zinc/19/07/60/783190760.db2.gz ORPCXVSFLZEHRH-OKYOBFRVSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779433 783190763 /nfs/dbraw/zinc/19/07/63/783190763.db2.gz ORPCXVSFLZEHRH-OKYOBFRVSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](OC)C1 ZINC001212301327 775482427 /nfs/dbraw/zinc/48/24/27/775482427.db2.gz NAEGHTCVOCDZCG-BRWVUGGUSA-N 2 1 348.491 2.178 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](OC)C1 ZINC001212301327 775482431 /nfs/dbraw/zinc/48/24/31/775482431.db2.gz NAEGHTCVOCDZCG-BRWVUGGUSA-N 2 1 348.491 2.178 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@H]12 ZINC000991778629 790449171 /nfs/dbraw/zinc/44/91/71/790449171.db2.gz GTWXUERLVGPVRD-AZUAARDMSA-N 2 1 349.438 2.017 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089831725 777326429 /nfs/dbraw/zinc/32/64/29/777326429.db2.gz OIXCRWZIBAWZHW-RDGPPVDQSA-N 2 1 343.515 2.360 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001089831727 777326570 /nfs/dbraw/zinc/32/65/70/777326570.db2.gz OIXCRWZIBAWZHW-VJANTYMQSA-N 2 1 343.515 2.360 20 30 EEEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089847742 777907068 /nfs/dbraw/zinc/90/70/68/777907068.db2.gz XKPGGMOLKYYABI-MANSERQUSA-N 2 1 343.515 2.053 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813833 778240257 /nfs/dbraw/zinc/24/02/57/778240257.db2.gz RXPRLKDIOLIWEL-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981813833 778240265 /nfs/dbraw/zinc/24/02/65/778240265.db2.gz RXPRLKDIOLIWEL-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000981813833 778240271 /nfs/dbraw/zinc/24/02/71/778240271.db2.gz RXPRLKDIOLIWEL-LJQANCHMSA-N 2 1 343.515 2.341 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001127689962 779358243 /nfs/dbraw/zinc/35/82/43/779358243.db2.gz DIWJQJCFGNTEQX-ZWKOTPCHSA-N 2 1 347.890 2.128 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982276496 779486136 /nfs/dbraw/zinc/48/61/36/779486136.db2.gz WGHQGMQZTDZMEN-RLLQIKCJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982276496 779486140 /nfs/dbraw/zinc/48/61/40/779486140.db2.gz WGHQGMQZTDZMEN-RLLQIKCJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982298773 779623925 /nfs/dbraw/zinc/62/39/25/779623925.db2.gz MUPPSGQPXDPTTF-SESVDKBCSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982298773 779623927 /nfs/dbraw/zinc/62/39/27/779623927.db2.gz MUPPSGQPXDPTTF-SESVDKBCSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982298773 779623928 /nfs/dbraw/zinc/62/39/28/779623928.db2.gz MUPPSGQPXDPTTF-SESVDKBCSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCC3CC3)C[C@]2(C)C1 ZINC000982298773 779623931 /nfs/dbraw/zinc/62/39/31/779623931.db2.gz MUPPSGQPXDPTTF-SESVDKBCSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCC3CC3)C[C@]2(C)C1 ZINC000982298773 779623932 /nfs/dbraw/zinc/62/39/32/779623932.db2.gz MUPPSGQPXDPTTF-SESVDKBCSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982332776 779751397 /nfs/dbraw/zinc/75/13/97/779751397.db2.gz NMVWMNYNJSISML-NRSPTQNISA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982332776 779751400 /nfs/dbraw/zinc/75/14/00/779751400.db2.gz NMVWMNYNJSISML-NRSPTQNISA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982332776 779751405 /nfs/dbraw/zinc/75/14/05/779751405.db2.gz NMVWMNYNJSISML-NRSPTQNISA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087459920 780926633 /nfs/dbraw/zinc/92/66/33/780926633.db2.gz FIYQICUZEYUEEJ-QXAKKESOSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087459920 780926636 /nfs/dbraw/zinc/92/66/36/780926636.db2.gz FIYQICUZEYUEEJ-QXAKKESOSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087459920 780926640 /nfs/dbraw/zinc/92/66/40/780926640.db2.gz FIYQICUZEYUEEJ-QXAKKESOSA-N 2 1 345.462 2.238 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035227129 784114578 /nfs/dbraw/zinc/11/45/78/784114578.db2.gz OMHMCMOSHZKKBM-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227129 784114584 /nfs/dbraw/zinc/11/45/84/784114584.db2.gz OMHMCMOSHZKKBM-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227129 784114587 /nfs/dbraw/zinc/11/45/87/784114587.db2.gz OMHMCMOSHZKKBM-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035243956 784175252 /nfs/dbraw/zinc/17/52/52/784175252.db2.gz FMZHYLCURZZJPC-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244897 784179257 /nfs/dbraw/zinc/17/92/57/784179257.db2.gz WHRDMFWNMZSTLO-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135783431 784423495 /nfs/dbraw/zinc/42/34/95/784423495.db2.gz ARFVGVMOJVITDL-LSDHHAIUSA-N 2 1 327.432 2.330 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035395432 784439582 /nfs/dbraw/zinc/43/95/82/784439582.db2.gz WNPNRSLBBIFUOY-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001035395432 784439593 /nfs/dbraw/zinc/43/95/93/784439593.db2.gz WNPNRSLBBIFUOY-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001035395432 784439600 /nfs/dbraw/zinc/43/96/00/784439600.db2.gz WNPNRSLBBIFUOY-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135857554 784638800 /nfs/dbraw/zinc/63/88/00/784638800.db2.gz KDKUSODTAOXZON-LSDHHAIUSA-N 2 1 348.466 2.412 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035705521 784986780 /nfs/dbraw/zinc/98/67/80/784986780.db2.gz DYWGJIQIRTVVEB-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CC2 ZINC001035794215 785143014 /nfs/dbraw/zinc/14/30/14/785143014.db2.gz ANHJEYXDYBQAMS-QGZVFWFLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000996711711 787235081 /nfs/dbraw/zinc/23/50/81/787235081.db2.gz KOROLKSJMWHHKV-HZPDHXFCSA-N 2 1 325.884 2.336 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831207 788320919 /nfs/dbraw/zinc/32/09/19/788320919.db2.gz NIMNMQJUOZWITG-KDURUIRLSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@H]12 ZINC000991881432 791238295 /nfs/dbraw/zinc/23/82/95/791238295.db2.gz DXUVGDICDSOHKH-AZUAARDMSA-N 2 1 342.487 2.451 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@H]12 ZINC000991881432 791238304 /nfs/dbraw/zinc/23/83/04/791238304.db2.gz DXUVGDICDSOHKH-AZUAARDMSA-N 2 1 342.487 2.451 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031765 791858772 /nfs/dbraw/zinc/85/87/72/791858772.db2.gz SFUXTSDQZZORQO-MSOLQXFVSA-N 2 1 342.487 2.487 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000998031765 791858778 /nfs/dbraw/zinc/85/87/78/791858778.db2.gz SFUXTSDQZZORQO-MSOLQXFVSA-N 2 1 342.487 2.487 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@H]12 ZINC000992144938 792908979 /nfs/dbraw/zinc/90/89/79/792908979.db2.gz IRBXLJDGDXFKPP-XKGZKEIXSA-N 2 1 342.487 2.443 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@H]12 ZINC000992144938 792908984 /nfs/dbraw/zinc/90/89/84/792908984.db2.gz IRBXLJDGDXFKPP-XKGZKEIXSA-N 2 1 342.487 2.443 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091807493 793279914 /nfs/dbraw/zinc/27/99/14/793279914.db2.gz GQWNWWFOWNRCOV-UZLBHIALSA-N 2 1 336.439 2.060 20 30 EEEDMP C=C(Cl)CN1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992421981 794045591 /nfs/dbraw/zinc/04/55/91/794045591.db2.gz YVSYVYDTMASJES-BFYDXBDKSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992421981 794045607 /nfs/dbraw/zinc/04/56/07/794045607.db2.gz YVSYVYDTMASJES-BFYDXBDKSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992421981 794045614 /nfs/dbraw/zinc/04/56/14/794045614.db2.gz YVSYVYDTMASJES-BFYDXBDKSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992421981 794045618 /nfs/dbraw/zinc/04/56/18/794045618.db2.gz YVSYVYDTMASJES-BFYDXBDKSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992421981 794045626 /nfs/dbraw/zinc/04/56/26/794045626.db2.gz YVSYVYDTMASJES-BFYDXBDKSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966206 806306230 /nfs/dbraw/zinc/30/62/30/806306230.db2.gz HSOAPMHXMKPUSQ-XODKDNOYSA-N 2 1 339.483 2.208 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966206 806306240 /nfs/dbraw/zinc/30/62/40/806306240.db2.gz HSOAPMHXMKPUSQ-XODKDNOYSA-N 2 1 339.483 2.208 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC2CCC2)CC3)CC1 ZINC000992512356 794463796 /nfs/dbraw/zinc/46/37/96/794463796.db2.gz RXXFRXCQTZGPKI-TZIWHRDSSA-N 2 1 343.515 2.245 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081227112 796678232 /nfs/dbraw/zinc/67/82/32/796678232.db2.gz QPZWSTNPDMGONO-FGTMMUONSA-N 2 1 347.890 2.275 20 30 EEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001772572 797162636 /nfs/dbraw/zinc/16/26/36/797162636.db2.gz LDDWTXLIOKFLER-KRWDZBQOSA-N 2 1 330.476 2.158 20 30 EEEDMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972042 797177084 /nfs/dbraw/zinc/17/70/84/797177084.db2.gz VXOMEJQWQOIEIR-XHSDSOJGSA-N 2 1 336.480 2.352 20 30 EEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262153 798058838 /nfs/dbraw/zinc/05/88/38/798058838.db2.gz CDDCUFRSTLFFMQ-QFBILLFUSA-N 2 1 339.499 2.487 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)[C@H]2C)CC1 ZINC000994501163 798107396 /nfs/dbraw/zinc/10/73/96/798107396.db2.gz SEPPHIMQSKNYNR-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001175929950 798292114 /nfs/dbraw/zinc/29/21/14/798292114.db2.gz LRFJNTIHGMKVGP-MRXNPFEDSA-N 2 1 339.443 2.169 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176758423 798570751 /nfs/dbraw/zinc/57/07/51/798570751.db2.gz BKDOOZRVIBGMTE-ZWKOTPCHSA-N 2 1 339.524 2.328 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958260 798578036 /nfs/dbraw/zinc/57/80/36/798578036.db2.gz RZGHZIZWWMQFFO-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958260 798578038 /nfs/dbraw/zinc/57/80/38/798578038.db2.gz RZGHZIZWWMQFFO-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958260 798578039 /nfs/dbraw/zinc/57/80/39/798578039.db2.gz RZGHZIZWWMQFFO-QRVBRYPASA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085033095 798623428 /nfs/dbraw/zinc/62/34/28/798623428.db2.gz QDNFZFGCGVVELX-LMMKCTJWSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085033095 798623431 /nfs/dbraw/zinc/62/34/31/798623431.db2.gz QDNFZFGCGVVELX-LMMKCTJWSA-N 2 1 342.487 2.253 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001003056870 799141216 /nfs/dbraw/zinc/14/12/16/799141216.db2.gz VDAQDFCNRXGFRR-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001003056870 799141218 /nfs/dbraw/zinc/14/12/18/799141218.db2.gz VDAQDFCNRXGFRR-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003624858 799905664 /nfs/dbraw/zinc/90/56/64/799905664.db2.gz VKHPQMKCRNSMGY-SFHVURJKSA-N 2 1 339.483 2.103 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003624858 799905670 /nfs/dbraw/zinc/90/56/70/799905670.db2.gz VKHPQMKCRNSMGY-SFHVURJKSA-N 2 1 339.483 2.103 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182614672 801278954 /nfs/dbraw/zinc/27/89/54/801278954.db2.gz MOXPVIHOKHUPMB-CKEIUWERSA-N 2 1 327.900 2.155 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004455732 802114565 /nfs/dbraw/zinc/11/45/65/802114565.db2.gz ABTJMHCTLHEWEO-RTBURBONSA-N 2 1 331.504 2.053 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086122563 802223000 /nfs/dbraw/zinc/22/30/00/802223000.db2.gz QCYIHHWJFHRVIG-AYOQOUSVSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185119538 802358718 /nfs/dbraw/zinc/35/87/18/802358718.db2.gz FYHYNVIIVGXYFO-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185307570 802453060 /nfs/dbraw/zinc/45/30/60/802453060.db2.gz RAAWGYVHHCGZEH-FUHWJXTLSA-N 2 1 330.476 2.069 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033199514 803068935 /nfs/dbraw/zinc/06/89/35/803068935.db2.gz ULQFWTIGEHTZBQ-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033199514 803068941 /nfs/dbraw/zinc/06/89/41/803068941.db2.gz ULQFWTIGEHTZBQ-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033199514 803068948 /nfs/dbraw/zinc/06/89/48/803068948.db2.gz ULQFWTIGEHTZBQ-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033199514 803068954 /nfs/dbraw/zinc/06/89/54/803068954.db2.gz ULQFWTIGEHTZBQ-OALUTQOASA-N 2 1 340.471 2.075 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001113348672 808789956 /nfs/dbraw/zinc/78/99/56/808789956.db2.gz YOFQTSQTGHGQQY-RDJZCZTQSA-N 2 1 330.476 2.253 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086659098 812429301 /nfs/dbraw/zinc/42/93/01/812429301.db2.gz KGTRKEPQPNGLTI-OTWHNJEPSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001439711686 1092671528 /nfs/dbraw/zinc/67/15/28/1092671528.db2.gz YKDIJXPGGDTYEP-UHFFFAOYSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001448978032 1093981837 /nfs/dbraw/zinc/98/18/37/1093981837.db2.gz PGPLPKPMINUHAQ-DOTOQJQBSA-N 2 1 335.879 2.450 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001448978032 1093981839 /nfs/dbraw/zinc/98/18/39/1093981839.db2.gz PGPLPKPMINUHAQ-DOTOQJQBSA-N 2 1 335.879 2.450 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001441937063 1096130617 /nfs/dbraw/zinc/13/06/17/1096130617.db2.gz RRGDGEYTAZWNKK-RBUKOAKNSA-N 2 1 342.487 2.275 20 30 EEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1CC ZINC001087601552 781919410 /nfs/dbraw/zinc/91/94/10/781919410.db2.gz XHKQBKPNWNESGY-OTWHNJEPSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H]1CC ZINC001087601552 781919418 /nfs/dbraw/zinc/91/94/18/781919418.db2.gz XHKQBKPNWNESGY-OTWHNJEPSA-N 2 1 349.519 2.175 20 30 EEEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)o1 ZINC000180986796 234052653 /nfs/dbraw/zinc/05/26/53/234052653.db2.gz HONUTPOWGJJTQE-QGZVFWFLSA-N 2 1 325.412 2.398 20 30 EEEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000180986796 234052656 /nfs/dbraw/zinc/05/26/56/234052656.db2.gz HONUTPOWGJJTQE-QGZVFWFLSA-N 2 1 325.412 2.398 20 30 EEEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)o1 ZINC000180986819 234052850 /nfs/dbraw/zinc/05/28/50/234052850.db2.gz HONUTPOWGJJTQE-KRWDZBQOSA-N 2 1 325.412 2.398 20 30 EEEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000180986819 234052852 /nfs/dbraw/zinc/05/28/52/234052852.db2.gz HONUTPOWGJJTQE-KRWDZBQOSA-N 2 1 325.412 2.398 20 30 EEEDMP Cn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1C#N ZINC000191580742 239196858 /nfs/dbraw/zinc/19/68/58/239196858.db2.gz LOOQWMYXRDZIMA-IBGZPJMESA-N 2 1 338.455 2.143 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000491724703 246127341 /nfs/dbraw/zinc/12/73/41/246127341.db2.gz GUYLJGLSEYPOSB-UHFFFAOYSA-N 2 1 327.428 2.179 20 30 EEEDMP CC[NH+](C)CCNc1cc(NCC[N@H+](C)CC)cc(C#N)c1[N+](=O)[O-] ZINC000091461669 218009961 /nfs/dbraw/zinc/00/99/61/218009961.db2.gz YRNFQSPSWJKAEW-UHFFFAOYSA-N 2 1 348.451 2.194 20 30 EEEDMP CC[NH+](C)CCNc1cc(C#N)c([N+](=O)[O-])c(NCC[N@H+](C)CC)c1 ZINC000091461669 218009963 /nfs/dbraw/zinc/00/99/63/218009963.db2.gz YRNFQSPSWJKAEW-UHFFFAOYSA-N 2 1 348.451 2.194 20 30 EEEDMP CC[NH+](C)CCNc1cc(C#N)c([N+](=O)[O-])c(NCC[N@@H+](C)CC)c1 ZINC000091461669 218009966 /nfs/dbraw/zinc/00/99/66/218009966.db2.gz YRNFQSPSWJKAEW-UHFFFAOYSA-N 2 1 348.451 2.194 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSCc1ccccc1C#N ZINC000170908144 266143943 /nfs/dbraw/zinc/14/39/43/266143943.db2.gz DYFXMNGKIZNOLT-QGZVFWFLSA-N 2 1 345.516 2.180 20 30 EEEDMP C[C@@H]1CC[N@@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000537296602 318015556 /nfs/dbraw/zinc/01/55/56/318015556.db2.gz UWIJYCHWCZNZPY-QGZVFWFLSA-N 2 1 326.488 2.454 20 30 EEEDMP C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129116207 462690297 /nfs/dbraw/zinc/69/02/97/462690297.db2.gz QSBSHAXOUFNULJ-QGPMSJSTSA-N 2 1 326.444 2.301 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000491198689 468320448 /nfs/dbraw/zinc/32/04/48/468320448.db2.gz DRVVEQZPFAJILE-AATRIKPKSA-N 2 1 347.422 2.357 20 30 EEEDMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000052209051 463068262 /nfs/dbraw/zinc/06/82/62/463068262.db2.gz CKGZLLFFNMSJLF-IBGZPJMESA-N 2 1 334.508 2.239 20 30 EEEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000052209051 463068265 /nfs/dbraw/zinc/06/82/65/463068265.db2.gz CKGZLLFFNMSJLF-IBGZPJMESA-N 2 1 334.508 2.239 20 30 EEEDMP N#Cc1c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cn2ccccc12 ZINC000069453063 463249261 /nfs/dbraw/zinc/24/92/61/463249261.db2.gz ZYDBMGKWXVHLIW-UHFFFAOYSA-N 2 1 338.455 2.355 20 30 EEEDMP C[NH+]=C(NCc1ccc(C)s1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262792831 464047015 /nfs/dbraw/zinc/04/70/15/464047015.db2.gz OOGSDELRZAWTJV-OAHLLOKOSA-N 2 1 326.535 2.159 20 30 EEEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1C1CC1)N[C@@H]1CCOc2ccccc21 ZINC000262849899 464049264 /nfs/dbraw/zinc/04/92/64/464049264.db2.gz SFVZUOFWJHMAAU-NVXWUHKLSA-N 2 1 328.460 2.431 20 30 EEEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000579704451 468398622 /nfs/dbraw/zinc/39/86/22/468398622.db2.gz ACDBFRKHWJRJGX-VQIMIIECSA-N 2 1 330.472 2.395 20 30 EEEDMP C[N@H+](CCN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1)Cc1ccccc1 ZINC000292979841 464379629 /nfs/dbraw/zinc/37/96/29/464379629.db2.gz FEPCCAJXVWIGGK-PMACEKPBSA-N 2 1 326.488 2.428 20 30 EEEDMP C[N@@H+](CCN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1)Cc1ccccc1 ZINC000292979841 464379635 /nfs/dbraw/zinc/37/96/35/464379635.db2.gz FEPCCAJXVWIGGK-PMACEKPBSA-N 2 1 326.488 2.428 20 30 EEEDMP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](Oc4ccncc4)C3)C2=O)cc1 ZINC000568960109 468411670 /nfs/dbraw/zinc/41/16/70/468411670.db2.gz CXZMOBCZYAGSRL-RTBURBONSA-N 2 1 348.406 2.212 20 30 EEEDMP CC#CC[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000339758737 465494144 /nfs/dbraw/zinc/49/41/44/465494144.db2.gz YCUBQYNPHRJCQM-KRWDZBQOSA-N 2 1 327.472 2.111 20 30 EEEDMP CC#CC[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000339758737 465494152 /nfs/dbraw/zinc/49/41/52/465494152.db2.gz YCUBQYNPHRJCQM-KRWDZBQOSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370699495 466970026 /nfs/dbraw/zinc/97/00/26/466970026.db2.gz QVLRXKVHPJTJHY-UYAOXDASSA-N 2 1 341.499 2.156 20 30 EEEDMP C#CCOc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370699495 466970032 /nfs/dbraw/zinc/97/00/32/466970032.db2.gz QVLRXKVHPJTJHY-UYAOXDASSA-N 2 1 341.499 2.156 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000429005475 467290548 /nfs/dbraw/zinc/29/05/48/467290548.db2.gz GRYCWRIOCMUOTI-HXUWFJFHSA-N 2 1 335.455 2.486 20 30 EEEDMP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000429005475 467290553 /nfs/dbraw/zinc/29/05/53/467290553.db2.gz GRYCWRIOCMUOTI-HXUWFJFHSA-N 2 1 335.455 2.486 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000429005475 467290556 /nfs/dbraw/zinc/29/05/56/467290556.db2.gz GRYCWRIOCMUOTI-HXUWFJFHSA-N 2 1 335.455 2.486 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000429005475 467290562 /nfs/dbraw/zinc/29/05/62/467290562.db2.gz GRYCWRIOCMUOTI-HXUWFJFHSA-N 2 1 335.455 2.486 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000429005474 467290857 /nfs/dbraw/zinc/29/08/57/467290857.db2.gz GRYCWRIOCMUOTI-FQEVSTJZSA-N 2 1 335.455 2.486 20 30 EEEDMP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000429005474 467290861 /nfs/dbraw/zinc/29/08/61/467290861.db2.gz GRYCWRIOCMUOTI-FQEVSTJZSA-N 2 1 335.455 2.486 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000429005474 467290864 /nfs/dbraw/zinc/29/08/64/467290864.db2.gz GRYCWRIOCMUOTI-FQEVSTJZSA-N 2 1 335.455 2.486 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000429005474 467290868 /nfs/dbraw/zinc/29/08/68/467290868.db2.gz GRYCWRIOCMUOTI-FQEVSTJZSA-N 2 1 335.455 2.486 20 30 EEEDMP N#CC1(C[C@H](O)C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528509515 467692092 /nfs/dbraw/zinc/69/20/92/467692092.db2.gz PWBVPLCJNPORMW-UFYCRDLUSA-N 2 1 339.483 2.495 20 30 EEEDMP N#CC1(C[C@H](O)C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528509515 467692096 /nfs/dbraw/zinc/69/20/96/467692096.db2.gz PWBVPLCJNPORMW-UFYCRDLUSA-N 2 1 339.483 2.495 20 30 EEEDMP COCCN(CCOC)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595484721 468872198 /nfs/dbraw/zinc/87/21/98/468872198.db2.gz RYLPSJPFQFHCCL-UHFFFAOYSA-N 2 1 345.487 2.160 20 30 EEEDMP COCC[NH+](CCOC)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595484721 468872200 /nfs/dbraw/zinc/87/22/00/468872200.db2.gz RYLPSJPFQFHCCL-UHFFFAOYSA-N 2 1 345.487 2.160 20 30 EEEDMP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C#N ZINC000599301774 469200767 /nfs/dbraw/zinc/20/07/67/469200767.db2.gz ABXAJFZWPWJWGH-HXUWFJFHSA-N 2 1 326.488 2.467 20 30 EEEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000447534239 536406515 /nfs/dbraw/zinc/40/65/15/536406515.db2.gz VSIGDUGJFDIJSC-MJGOQNOKSA-N 2 1 340.471 2.246 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000730098073 576714288 /nfs/dbraw/zinc/71/42/88/576714288.db2.gz UFCUUEAZMLMERU-DLBZAZTESA-N 2 1 333.501 2.345 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000730098073 576714290 /nfs/dbraw/zinc/71/42/90/576714290.db2.gz UFCUUEAZMLMERU-DLBZAZTESA-N 2 1 333.501 2.345 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118282 674593607 /nfs/dbraw/zinc/59/36/07/674593607.db2.gz KAZFHQWAYLRVOL-INIZCTEOSA-N 2 1 328.460 2.145 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118282 674593609 /nfs/dbraw/zinc/59/36/09/674593609.db2.gz KAZFHQWAYLRVOL-INIZCTEOSA-N 2 1 328.460 2.145 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CCO2 ZINC000949250909 674624800 /nfs/dbraw/zinc/62/48/00/674624800.db2.gz CXWUMVGBTANSNV-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000970425881 675872810 /nfs/dbraw/zinc/87/28/10/675872810.db2.gz BLSUFTVZCIASIS-HNNXBMFYSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021716986 676375932 /nfs/dbraw/zinc/37/59/32/676375932.db2.gz NCQMVYPOXNRJQM-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001022166353 676713558 /nfs/dbraw/zinc/71/35/58/676713558.db2.gz UQXWAZWIPIQTPF-CEXWTWQISA-N 2 1 340.471 2.169 20 30 EEEDMP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971688570 676738687 /nfs/dbraw/zinc/73/86/87/676738687.db2.gz YDCHBPGPJSAXDC-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000971688570 676738688 /nfs/dbraw/zinc/73/86/88/676738688.db2.gz YDCHBPGPJSAXDC-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000971688570 676738689 /nfs/dbraw/zinc/73/86/89/676738689.db2.gz YDCHBPGPJSAXDC-IBGZPJMESA-N 2 1 340.471 2.075 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000971703250 676747778 /nfs/dbraw/zinc/74/77/78/676747778.db2.gz BKIOZQFRXVLJDY-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC000971703250 676747779 /nfs/dbraw/zinc/74/77/79/676747779.db2.gz BKIOZQFRXVLJDY-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000971703250 676747780 /nfs/dbraw/zinc/74/77/80/676747780.db2.gz BKIOZQFRXVLJDY-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC000971703250 676747781 /nfs/dbraw/zinc/74/77/81/676747781.db2.gz BKIOZQFRXVLJDY-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC000971703250 676747782 /nfs/dbraw/zinc/74/77/82/676747782.db2.gz BKIOZQFRXVLJDY-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC000971736485 676768130 /nfs/dbraw/zinc/76/81/30/676768130.db2.gz QAVVYBXPDHPROO-MOPGFXCFSA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC000971736485 676768133 /nfs/dbraw/zinc/76/81/33/676768133.db2.gz QAVVYBXPDHPROO-MOPGFXCFSA-N 2 1 342.487 2.177 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947497689 678310685 /nfs/dbraw/zinc/31/06/85/678310685.db2.gz LCXZICCSMQPWSY-GJZGRUSLSA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947497689 678310689 /nfs/dbraw/zinc/31/06/89/678310689.db2.gz LCXZICCSMQPWSY-GJZGRUSLSA-N 2 1 325.884 2.336 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023421591 679300967 /nfs/dbraw/zinc/30/09/67/679300967.db2.gz CWCMGWHCTSUQCU-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023421591 679300968 /nfs/dbraw/zinc/30/09/68/679300968.db2.gz CWCMGWHCTSUQCU-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023421591 679300969 /nfs/dbraw/zinc/30/09/69/679300969.db2.gz CWCMGWHCTSUQCU-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023421591 679300970 /nfs/dbraw/zinc/30/09/70/679300970.db2.gz CWCMGWHCTSUQCU-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023421591 679300971 /nfs/dbraw/zinc/30/09/71/679300971.db2.gz CWCMGWHCTSUQCU-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023695674 679486261 /nfs/dbraw/zinc/48/62/61/679486261.db2.gz FBORZTMHSMJBMJ-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001024366755 679883739 /nfs/dbraw/zinc/88/37/39/679883739.db2.gz VFOYBOAARHEBJJ-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001024366755 679883740 /nfs/dbraw/zinc/88/37/40/679883740.db2.gz VFOYBOAARHEBJJ-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001024366755 679883741 /nfs/dbraw/zinc/88/37/41/679883741.db2.gz VFOYBOAARHEBJJ-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000984800806 685276313 /nfs/dbraw/zinc/27/63/13/685276313.db2.gz TTWWLEJGASPMTR-KKUMJFAQSA-N 2 1 346.500 2.088 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001024647669 681311144 /nfs/dbraw/zinc/31/11/44/681311144.db2.gz RJKFPYUYUGRODD-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647669 681311147 /nfs/dbraw/zinc/31/11/47/681311147.db2.gz RJKFPYUYUGRODD-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647669 681311150 /nfs/dbraw/zinc/31/11/50/681311150.db2.gz RJKFPYUYUGRODD-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001024647668 681311567 /nfs/dbraw/zinc/31/15/67/681311567.db2.gz RJKFPYUYUGRODD-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647668 681311569 /nfs/dbraw/zinc/31/15/69/681311569.db2.gz RJKFPYUYUGRODD-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647668 681311571 /nfs/dbraw/zinc/31/15/71/681311571.db2.gz RJKFPYUYUGRODD-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001028601311 681349413 /nfs/dbraw/zinc/34/94/13/681349413.db2.gz MXPHURZTOGTMAH-QUCCMNQESA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001028601311 681349417 /nfs/dbraw/zinc/34/94/17/681349417.db2.gz MXPHURZTOGTMAH-QUCCMNQESA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001028601311 681349421 /nfs/dbraw/zinc/34/94/21/681349421.db2.gz MXPHURZTOGTMAH-QUCCMNQESA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001028601311 681349425 /nfs/dbraw/zinc/34/94/25/681349425.db2.gz MXPHURZTOGTMAH-QUCCMNQESA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001028601311 681349428 /nfs/dbraw/zinc/34/94/28/681349428.db2.gz MXPHURZTOGTMAH-QUCCMNQESA-N 2 1 339.483 2.031 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000983000076 681635669 /nfs/dbraw/zinc/63/56/69/681635669.db2.gz UWUCGXAATHPZJE-UHFFFAOYSA-N 2 1 339.443 2.381 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000983000076 681635673 /nfs/dbraw/zinc/63/56/73/681635673.db2.gz UWUCGXAATHPZJE-UHFFFAOYSA-N 2 1 339.443 2.381 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642582 681950833 /nfs/dbraw/zinc/95/08/33/681950833.db2.gz RRIHLZPJMNUALH-IZZBFERCSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982642582 681950836 /nfs/dbraw/zinc/95/08/36/681950836.db2.gz RRIHLZPJMNUALH-IZZBFERCSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982642582 681950841 /nfs/dbraw/zinc/95/08/41/681950841.db2.gz RRIHLZPJMNUALH-IZZBFERCSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028802201 682258923 /nfs/dbraw/zinc/25/89/23/682258923.db2.gz KGBYVARPALZOHT-SFHVURJKSA-N 2 1 329.488 2.419 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240044 682295797 /nfs/dbraw/zinc/29/57/97/682295797.db2.gz KPTIEFIKIIYXJW-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240044 682295801 /nfs/dbraw/zinc/29/58/01/682295801.db2.gz KPTIEFIKIIYXJW-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025241450 682300795 /nfs/dbraw/zinc/30/07/95/682300795.db2.gz XNVGQBOGCOBXPX-MSOLQXFVSA-N 2 1 331.504 2.340 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001025481611 682888751 /nfs/dbraw/zinc/88/87/51/682888751.db2.gz JLABXHMWPWXPCD-HOTGVXAUSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001025630731 683168631 /nfs/dbraw/zinc/16/86/31/683168631.db2.gz VKHULFCFKQSWDM-FXAWDEMLSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC000992704635 683283112 /nfs/dbraw/zinc/28/31/12/683283112.db2.gz CHTJSYCYXONFOL-DJIMGWMZSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001026505265 684701139 /nfs/dbraw/zinc/70/11/39/684701139.db2.gz WHTTUABVVPABJD-FAFZWHIHSA-N 2 1 349.519 2.223 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511703 684805137 /nfs/dbraw/zinc/80/51/37/684805137.db2.gz YCGRWBWOTXBHOL-YJBOKZPZSA-N 2 1 325.472 2.356 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680802 693938398 /nfs/dbraw/zinc/93/83/98/693938398.db2.gz JQFMOERRLQNAJS-IBGZPJMESA-N 2 1 340.471 2.077 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974962268 685815195 /nfs/dbraw/zinc/81/51/95/685815195.db2.gz JTEOWVWHXDKLHJ-WBVHZDCISA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974962268 685815199 /nfs/dbraw/zinc/81/51/99/685815199.db2.gz JTEOWVWHXDKLHJ-WBVHZDCISA-N 2 1 330.476 2.157 20 30 EEEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000985435666 686716050 /nfs/dbraw/zinc/71/60/50/686716050.db2.gz MDLUIYQJNUXAAE-QGZVFWFLSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000985435666 686716054 /nfs/dbraw/zinc/71/60/54/686716054.db2.gz MDLUIYQJNUXAAE-QGZVFWFLSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000985435666 686716060 /nfs/dbraw/zinc/71/60/60/686716060.db2.gz MDLUIYQJNUXAAE-QGZVFWFLSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001027420173 688041630 /nfs/dbraw/zinc/04/16/30/688041630.db2.gz ZENXEUWWHVGWQH-HRCADAONSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001027420173 688041637 /nfs/dbraw/zinc/04/16/37/688041637.db2.gz ZENXEUWWHVGWQH-HRCADAONSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001027420173 688041644 /nfs/dbraw/zinc/04/16/44/688041644.db2.gz ZENXEUWWHVGWQH-HRCADAONSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001027420173 688041653 /nfs/dbraw/zinc/04/16/53/688041653.db2.gz ZENXEUWWHVGWQH-HRCADAONSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001027420173 688041660 /nfs/dbraw/zinc/04/16/60/688041660.db2.gz ZENXEUWWHVGWQH-HRCADAONSA-N 2 1 327.900 2.392 20 30 EEEDMP C[C@@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986353850 688503996 /nfs/dbraw/zinc/50/39/96/688503996.db2.gz JPKAMCJKXMMZKD-DNVCBOLYSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989610129 692076784 /nfs/dbraw/zinc/07/67/84/692076784.db2.gz XWXYCNHHELSSBN-ZBFHGGJFSA-N 2 1 325.416 2.036 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989616591 692081679 /nfs/dbraw/zinc/08/16/79/692081679.db2.gz XSKLBJSVOHIWFT-DZGCQCFKSA-N 2 1 345.834 2.212 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977335675 692478214 /nfs/dbraw/zinc/47/82/14/692478214.db2.gz MYIQKHGUPPWTKK-GOSISDBHSA-N 2 1 327.472 2.212 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027605107 693448126 /nfs/dbraw/zinc/44/81/26/693448126.db2.gz VSVKSZOQBMZAJM-MRXNPFEDSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027605107 693448127 /nfs/dbraw/zinc/44/81/27/693448127.db2.gz VSVKSZOQBMZAJM-MRXNPFEDSA-N 2 1 327.900 2.394 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1cccc(C#N)c1 ZINC001480920746 1178356658 /nfs/dbraw/zinc/35/66/58/1178356658.db2.gz XDZVBOHKJPTIEH-LJQANCHMSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001088370028 1186687563 /nfs/dbraw/zinc/68/75/63/1186687563.db2.gz YLGBHKWFQPWPKL-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001088381961 1186750567 /nfs/dbraw/zinc/75/05/67/1186750567.db2.gz QQEJVBCDWDYXEB-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033958883 1195560812 /nfs/dbraw/zinc/56/08/12/1195560812.db2.gz RKGHUIWKGPTGBD-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033958883 1195560814 /nfs/dbraw/zinc/56/08/14/1195560814.db2.gz RKGHUIWKGPTGBD-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CCC(=C)C)C2)CC1 ZINC001034046017 1195698353 /nfs/dbraw/zinc/69/83/53/1195698353.db2.gz OLTNSSWMGNWIOF-LJQANCHMSA-N 2 1 331.504 2.221 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001034612008 1196435290 /nfs/dbraw/zinc/43/52/90/1196435290.db2.gz OGQNTGBIGWLISA-CKEIUWERSA-N 2 1 346.500 2.231 20 30 EEEDMP C#Cc1ccccc1CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000810300311 1199408157 /nfs/dbraw/zinc/40/81/57/1199408157.db2.gz QRUSTGWGHNZCPB-HXUWFJFHSA-N 2 1 341.499 2.085 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001132273904 1199522460 /nfs/dbraw/zinc/52/24/60/1199522460.db2.gz LPKLBHZZGMTKKQ-WMLDXEAASA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001132273904 1199522461 /nfs/dbraw/zinc/52/24/61/1199522461.db2.gz LPKLBHZZGMTKKQ-WMLDXEAASA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170749974 1199559691 /nfs/dbraw/zinc/55/96/91/1199559691.db2.gz FEOXTDRKOQQYLM-QZTJIDSGSA-N 2 1 339.524 2.326 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133404077 1200866632 /nfs/dbraw/zinc/86/66/32/1200866632.db2.gz WQKLHWHZLYUGIC-YJBOKZPZSA-N 2 1 347.890 2.089 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131046 1204212290 /nfs/dbraw/zinc/21/22/90/1204212290.db2.gz PZLRBOOUNCBSME-DLBZAZTESA-N 2 1 328.460 2.181 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131046 1204212293 /nfs/dbraw/zinc/21/22/93/1204212293.db2.gz PZLRBOOUNCBSME-DLBZAZTESA-N 2 1 328.460 2.181 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)nc1 ZINC001275032165 1205239176 /nfs/dbraw/zinc/23/91/76/1205239176.db2.gz IKKREPKYRKWVFV-HDICACEKSA-N 2 1 336.443 2.020 20 30 EEEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)nc1 ZINC001275032165 1205239177 /nfs/dbraw/zinc/23/91/77/1205239177.db2.gz IKKREPKYRKWVFV-HDICACEKSA-N 2 1 336.443 2.020 20 30 EEEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)nc1 ZINC001275032165 1205239179 /nfs/dbraw/zinc/23/91/79/1205239179.db2.gz IKKREPKYRKWVFV-HDICACEKSA-N 2 1 336.443 2.020 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095417294 1205719109 /nfs/dbraw/zinc/71/91/09/1205719109.db2.gz MHXWSUXENMTBPP-RNQOJCNYSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001095417294 1205719110 /nfs/dbraw/zinc/71/91/10/1205719110.db2.gz MHXWSUXENMTBPP-RNQOJCNYSA-N 2 1 343.515 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001095417294 1205719112 /nfs/dbraw/zinc/71/91/12/1205719112.db2.gz MHXWSUXENMTBPP-RNQOJCNYSA-N 2 1 343.515 2.386 20 30 EEEDMP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(F)c(C#N)c(F)c1 ZINC001276117988 1205782194 /nfs/dbraw/zinc/78/21/94/1205782194.db2.gz IJVSUSCYXRWLPA-ROUUACIJSA-N 2 1 334.414 2.047 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948056885 1208847388 /nfs/dbraw/zinc/84/73/88/1208847388.db2.gz NKEPJYHPBIYIFS-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000948624811 1209257974 /nfs/dbraw/zinc/25/79/74/1209257974.db2.gz IKCJNIVHQHVSCS-QGZVFWFLSA-N 2 1 342.487 2.098 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000948624811 1209257976 /nfs/dbraw/zinc/25/79/76/1209257976.db2.gz IKCJNIVHQHVSCS-QGZVFWFLSA-N 2 1 342.487 2.098 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC(C)C)cc1 ZINC000303891718 1213921109 /nfs/dbraw/zinc/92/11/09/1213921109.db2.gz NHCJTIGZFAYMGU-KRWDZBQOSA-N 2 1 332.492 2.405 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292525 1217131845 /nfs/dbraw/zinc/13/18/45/1217131845.db2.gz JQFXRFVZGDWJBF-UXHICEINSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000961367008 1217160465 /nfs/dbraw/zinc/16/04/65/1217160465.db2.gz KPXXAOQIIBKHFC-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961367008 1217160467 /nfs/dbraw/zinc/16/04/67/1217160467.db2.gz KPXXAOQIIBKHFC-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC000961367008 1217160468 /nfs/dbraw/zinc/16/04/68/1217160468.db2.gz KPXXAOQIIBKHFC-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961439175 1217190458 /nfs/dbraw/zinc/19/04/58/1217190458.db2.gz FTYRAUCKKCASHJ-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961439175 1217190461 /nfs/dbraw/zinc/19/04/61/1217190461.db2.gz FTYRAUCKKCASHJ-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961439175 1217190463 /nfs/dbraw/zinc/19/04/63/1217190463.db2.gz FTYRAUCKKCASHJ-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963326918 1217522022 /nfs/dbraw/zinc/52/20/22/1217522022.db2.gz ZSAUSUGOGLDWOP-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360168 1217555046 /nfs/dbraw/zinc/55/50/46/1217555046.db2.gz KZWRCGOXCNPPKT-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360168 1217555050 /nfs/dbraw/zinc/55/50/50/1217555050.db2.gz KZWRCGOXCNPPKT-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360168 1217555054 /nfs/dbraw/zinc/55/50/54/1217555054.db2.gz KZWRCGOXCNPPKT-RBUKOAKNSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000965063181 1218867406 /nfs/dbraw/zinc/86/74/06/1218867406.db2.gz LKAFAMOGABKWLJ-AKJOHPPZSA-N 2 1 342.487 2.347 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001007376734 1222197079 /nfs/dbraw/zinc/19/70/79/1222197079.db2.gz MFEVWEUZTIRRLP-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001007376734 1222197083 /nfs/dbraw/zinc/19/70/83/1222197083.db2.gz MFEVWEUZTIRRLP-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001007376734 1222197088 /nfs/dbraw/zinc/19/70/88/1222197088.db2.gz MFEVWEUZTIRRLP-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001007376734 1222197091 /nfs/dbraw/zinc/19/70/91/1222197091.db2.gz MFEVWEUZTIRRLP-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001016826309 1226907674 /nfs/dbraw/zinc/90/76/74/1226907674.db2.gz ORXMDRGNPHUOHN-ZFWWWQNUSA-N 2 1 325.884 2.051 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001020250889 1229583203 /nfs/dbraw/zinc/58/32/03/1229583203.db2.gz VULWPBRKUSUMFK-BQFCYCMXSA-N 2 1 345.874 2.174 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138402 1230352207 /nfs/dbraw/zinc/35/22/07/1230352207.db2.gz QCCFXENOOBFHFN-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039138402 1230352210 /nfs/dbraw/zinc/35/22/10/1230352210.db2.gz QCCFXENOOBFHFN-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039138402 1230352216 /nfs/dbraw/zinc/35/22/16/1230352216.db2.gz QCCFXENOOBFHFN-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039165247 1230387205 /nfs/dbraw/zinc/38/72/05/1230387205.db2.gz LDPRCTKVEVECQG-HXUWFJFHSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039180493 1230407075 /nfs/dbraw/zinc/40/70/75/1230407075.db2.gz QYFARKAKPGHTIF-GOSISDBHSA-N 2 1 331.504 2.219 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230100 1230463361 /nfs/dbraw/zinc/46/33/61/1230463361.db2.gz PLCARGUPFSKFES-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230100 1230463363 /nfs/dbraw/zinc/46/33/63/1230463363.db2.gz PLCARGUPFSKFES-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039235857 1230469163 /nfs/dbraw/zinc/46/91/63/1230469163.db2.gz RTYNXDDEAAMTNB-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039312208 1230521694 /nfs/dbraw/zinc/52/16/94/1230521694.db2.gz MNVCBQRITNWJHA-MQVJKMGUSA-N 2 1 336.867 2.446 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001039425316 1230602508 /nfs/dbraw/zinc/60/25/08/1230602508.db2.gz XTPMJJBDZKDHIL-CEXWTWQISA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001039425316 1230602513 /nfs/dbraw/zinc/60/25/13/1230602513.db2.gz XTPMJJBDZKDHIL-CEXWTWQISA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001039425316 1230602517 /nfs/dbraw/zinc/60/25/17/1230602517.db2.gz XTPMJJBDZKDHIL-CEXWTWQISA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001039425316 1230602521 /nfs/dbraw/zinc/60/25/21/1230602521.db2.gz XTPMJJBDZKDHIL-CEXWTWQISA-N 2 1 349.519 2.127 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041586076 1231609816 /nfs/dbraw/zinc/60/98/16/1231609816.db2.gz HVXYJRQDEPNMLT-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586076 1231609818 /nfs/dbraw/zinc/60/98/18/1231609818.db2.gz HVXYJRQDEPNMLT-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041586076 1231609820 /nfs/dbraw/zinc/60/98/20/1231609820.db2.gz HVXYJRQDEPNMLT-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001041677382 1231647016 /nfs/dbraw/zinc/64/70/16/1231647016.db2.gz BJOHAHIUYRDQNQ-RBUKOAKNSA-N 2 1 337.483 2.309 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677382 1231647017 /nfs/dbraw/zinc/64/70/17/1231647017.db2.gz BJOHAHIUYRDQNQ-RBUKOAKNSA-N 2 1 337.483 2.309 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677382 1231647020 /nfs/dbraw/zinc/64/70/20/1231647020.db2.gz BJOHAHIUYRDQNQ-RBUKOAKNSA-N 2 1 337.483 2.309 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042365009 1232047689 /nfs/dbraw/zinc/04/76/89/1232047689.db2.gz ICOOADUQSUKFOI-ICSRJNTNSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045939445 1234194655 /nfs/dbraw/zinc/19/46/55/1234194655.db2.gz BGXGDCVIEMDNJX-FPOVZHCZSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCc3nc[nH]c31)C2 ZINC001045965838 1234244072 /nfs/dbraw/zinc/24/40/72/1234244072.db2.gz LXUNIEKZJVVTIQ-OXJNMPFZSA-N 2 1 340.471 2.167 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985808 1234281400 /nfs/dbraw/zinc/28/14/00/1234281400.db2.gz CRBICHQOAHCSMM-FQEVSTJZSA-N 2 1 331.504 2.200 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001048557414 1237959166 /nfs/dbraw/zinc/95/91/66/1237959166.db2.gz NMAUNXUJORWPML-YSTOQKLRSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048557414 1237959172 /nfs/dbraw/zinc/95/91/72/1237959172.db2.gz NMAUNXUJORWPML-YSTOQKLRSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048557414 1237959180 /nfs/dbraw/zinc/95/91/80/1237959180.db2.gz NMAUNXUJORWPML-YSTOQKLRSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180719 1241780257 /nfs/dbraw/zinc/78/02/57/1241780257.db2.gz GZPAJFYTDSLRCU-UXHICEINSA-N 2 1 339.483 2.266 20 30 EEEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180719 1241780264 /nfs/dbraw/zinc/78/02/64/1241780264.db2.gz GZPAJFYTDSLRCU-UXHICEINSA-N 2 1 339.483 2.266 20 30 EEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180719 1241780272 /nfs/dbraw/zinc/78/02/72/1241780272.db2.gz GZPAJFYTDSLRCU-UXHICEINSA-N 2 1 339.483 2.266 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001049719911 1241987685 /nfs/dbraw/zinc/98/76/85/1241987685.db2.gz PINVTAFRDWZQJO-FRQCXROJSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049719911 1241987690 /nfs/dbraw/zinc/98/76/90/1241987690.db2.gz PINVTAFRDWZQJO-FRQCXROJSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049719911 1241987698 /nfs/dbraw/zinc/98/76/98/1241987698.db2.gz PINVTAFRDWZQJO-FRQCXROJSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001049720691 1241988874 /nfs/dbraw/zinc/98/88/74/1241988874.db2.gz SJHPMXIDJUTNNB-ZWKOTPCHSA-N 2 1 344.459 2.135 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001049720691 1241988882 /nfs/dbraw/zinc/98/88/82/1241988882.db2.gz SJHPMXIDJUTNNB-ZWKOTPCHSA-N 2 1 344.459 2.135 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001001491861 1242377399 /nfs/dbraw/zinc/37/73/99/1242377399.db2.gz LWGYMBIDZOGYQD-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001001491861 1242377412 /nfs/dbraw/zinc/37/74/12/1242377412.db2.gz LWGYMBIDZOGYQD-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049842515 1242384476 /nfs/dbraw/zinc/38/44/76/1242384476.db2.gz LSXQQYMDPXYLDM-VQTJNVASSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096609148 1242802049 /nfs/dbraw/zinc/80/20/49/1242802049.db2.gz KJIFJTWFSFEVKX-NEWSRXKRSA-N 2 1 325.456 2.107 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786786 1244981677 /nfs/dbraw/zinc/98/16/77/1244981677.db2.gz BSOILSNKLQHERR-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857832 1245396850 /nfs/dbraw/zinc/39/68/50/1245396850.db2.gz VIVNQVSBTIRIEQ-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@H+]1CCc2c(CNC(=O)[C@H]3CCCC[NH+]3C)cccc2C1 ZINC001051293075 1245489655 /nfs/dbraw/zinc/48/96/55/1245489655.db2.gz NXKCXZKLAXALTN-HXUWFJFHSA-N 2 1 339.483 2.169 20 30 EEEDMP CC#CC[NH+]1CCc2c(CNC(=O)[C@H]3CCCC[N@@H+]3C)cccc2C1 ZINC001051293075 1245489666 /nfs/dbraw/zinc/48/96/66/1245489666.db2.gz NXKCXZKLAXALTN-HXUWFJFHSA-N 2 1 339.483 2.169 20 30 EEEDMP CC#CC[NH+]1CCc2c(CNC(=O)[C@H]3CCCC[N@H+]3C)cccc2C1 ZINC001051293075 1245489669 /nfs/dbraw/zinc/48/96/69/1245489669.db2.gz NXKCXZKLAXALTN-HXUWFJFHSA-N 2 1 339.483 2.169 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051192 1245773396 /nfs/dbraw/zinc/77/33/96/1245773396.db2.gz KSLCYKVSXCZHBA-RTBURBONSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)O2 ZINC001053601144 1246515590 /nfs/dbraw/zinc/51/55/90/1246515590.db2.gz BOJMFPUTWMGJIK-FGTMMUONSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)O2 ZINC001053646708 1246583889 /nfs/dbraw/zinc/58/38/89/1246583889.db2.gz CRPGBKVRVFWQEB-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC3CCC3)C2)C1 ZINC001054146203 1247521248 /nfs/dbraw/zinc/52/12/48/1247521248.db2.gz AGUBHYOKRRYYGO-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC3CCC3)C2)C1 ZINC001054146203 1247521251 /nfs/dbraw/zinc/52/12/51/1247521251.db2.gz AGUBHYOKRRYYGO-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054146203 1247521254 /nfs/dbraw/zinc/52/12/54/1247521254.db2.gz AGUBHYOKRRYYGO-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054146203 1247521255 /nfs/dbraw/zinc/52/12/55/1247521255.db2.gz AGUBHYOKRRYYGO-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001054185300 1247649454 /nfs/dbraw/zinc/64/94/54/1247649454.db2.gz XREJUFJYKVULMN-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001054185300 1247649465 /nfs/dbraw/zinc/64/94/65/1247649465.db2.gz XREJUFJYKVULMN-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001071062039 1253932533 /nfs/dbraw/zinc/93/25/33/1253932533.db2.gz HATPFLRKZONWMS-QUCCMNQESA-N 2 1 349.519 2.033 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H]1C ZINC001074877960 1257186830 /nfs/dbraw/zinc/18/68/30/1257186830.db2.gz TYLKKVPPZALKRX-GJYPPUQNSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)C[C@H](C)O2 ZINC001098635766 1257735556 /nfs/dbraw/zinc/73/55/56/1257735556.db2.gz RWXJYOVSHINLNA-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C[C@H](C)O2 ZINC001098635768 1257735692 /nfs/dbraw/zinc/73/56/92/1257735692.db2.gz RWXJYOVSHINLNA-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193290004 1282424718 /nfs/dbraw/zinc/42/47/18/1282424718.db2.gz CCGLGDMXOGMOOI-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193290004 1282424725 /nfs/dbraw/zinc/42/47/25/1282424725.db2.gz CCGLGDMXOGMOOI-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193290004 1282424730 /nfs/dbraw/zinc/42/47/30/1282424730.db2.gz CCGLGDMXOGMOOI-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001193290004 1282424735 /nfs/dbraw/zinc/42/47/35/1282424735.db2.gz CCGLGDMXOGMOOI-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)CCC=C)C2)CC1 ZINC001194245552 1282955784 /nfs/dbraw/zinc/95/57/84/1282955784.db2.gz CBJVBBCJNXLMRN-MJGOQNOKSA-N 2 1 331.504 2.219 20 30 EEEDMP CC[N@H+](C)C(C)(C)C(=O)N1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001196348754 1284014522 /nfs/dbraw/zinc/01/45/22/1284014522.db2.gz AOHODYKFOYJXMC-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001196348754 1284014533 /nfs/dbraw/zinc/01/45/33/1284014533.db2.gz AOHODYKFOYJXMC-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001196348754 1284014543 /nfs/dbraw/zinc/01/45/43/1284014543.db2.gz AOHODYKFOYJXMC-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001196348754 1284014552 /nfs/dbraw/zinc/01/45/52/1284014552.db2.gz AOHODYKFOYJXMC-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(C)C[NH+]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001197171883 1284491330 /nfs/dbraw/zinc/49/13/30/1284491330.db2.gz DXSBTAYDEZQNLK-UHFFFAOYSA-N 2 1 329.488 2.271 20 30 EEEDMP C=C(C)C[NH+]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001197171883 1284491332 /nfs/dbraw/zinc/49/13/32/1284491332.db2.gz DXSBTAYDEZQNLK-UHFFFAOYSA-N 2 1 329.488 2.271 20 30 EEEDMP C=C(C)C[N@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001197171883 1284491333 /nfs/dbraw/zinc/49/13/33/1284491333.db2.gz DXSBTAYDEZQNLK-UHFFFAOYSA-N 2 1 329.488 2.271 20 30 EEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001197171883 1284491334 /nfs/dbraw/zinc/49/13/34/1284491334.db2.gz DXSBTAYDEZQNLK-UHFFFAOYSA-N 2 1 329.488 2.271 20 30 EEEDMP C#Cc1cccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c1 ZINC001273800808 1285990051 /nfs/dbraw/zinc/99/00/51/1285990051.db2.gz WNEFJNIYYKUKSP-NRFANRHFSA-N 2 1 339.483 2.187 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410166 1296896714 /nfs/dbraw/zinc/89/67/14/1296896714.db2.gz OJUNUCOMPRPYDU-QGPMSJSTSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc3nccn32)C1 ZINC001039216719 1297243159 /nfs/dbraw/zinc/24/31/59/1297243159.db2.gz RJFDFTCFZMQZKQ-IAGOWNOFSA-N 2 1 336.439 2.284 20 30 EEEDMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@](C)(CO[C@H]2C[NH2+]C[C@@H]2C#N)O1 ZINC001217831036 1297518276 /nfs/dbraw/zinc/51/82/76/1297518276.db2.gz IRBXIEDEEHUZDF-CMKODMSKSA-N 2 1 343.471 2.184 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001220868615 1298566818 /nfs/dbraw/zinc/56/68/18/1298566818.db2.gz MDOJSOJTNMWWIL-GBESFXJTSA-N 2 1 327.472 2.494 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221662525 1298978917 /nfs/dbraw/zinc/97/89/17/1298978917.db2.gz QLHLGOXTFUNBBI-IEBWSBKVSA-N 2 1 342.487 2.407 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548498 1299209934 /nfs/dbraw/zinc/20/99/34/1299209934.db2.gz WLAZITCKHFITIC-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376929 1300956791 /nfs/dbraw/zinc/95/67/91/1300956791.db2.gz DNAUVFRLGBLSTI-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376929 1300956798 /nfs/dbraw/zinc/95/67/98/1300956798.db2.gz DNAUVFRLGBLSTI-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376929 1300956801 /nfs/dbraw/zinc/95/68/01/1300956801.db2.gz DNAUVFRLGBLSTI-UYAOXDASSA-N 2 1 343.515 2.421 20 30 EEEDMP CCc1cc(C#N)ccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277238778 1301958541 /nfs/dbraw/zinc/95/85/41/1301958541.db2.gz IAUKYPVJZRXJOU-PMACEKPBSA-N 2 1 326.488 2.331 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001228053353 1302076001 /nfs/dbraw/zinc/07/60/01/1302076001.db2.gz DVEZMMJCBLDVLV-UHFFFAOYSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001229678332 1302913275 /nfs/dbraw/zinc/91/32/75/1302913275.db2.gz ATXLWHKMQCOQSK-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001230316104 1303156613 /nfs/dbraw/zinc/15/66/13/1303156613.db2.gz UQDAMOXFMQMIQR-GOSISDBHSA-N 2 1 339.524 2.258 20 30 EEEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001230316104 1303156617 /nfs/dbraw/zinc/15/66/17/1303156617.db2.gz UQDAMOXFMQMIQR-GOSISDBHSA-N 2 1 339.524 2.258 20 30 EEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001103773719 1303317433 /nfs/dbraw/zinc/31/74/33/1303317433.db2.gz NPRJASXXNGQQJW-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001103773719 1303317443 /nfs/dbraw/zinc/31/74/43/1303317443.db2.gz NPRJASXXNGQQJW-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001103773719 1303317452 /nfs/dbraw/zinc/31/74/52/1303317452.db2.gz NPRJASXXNGQQJW-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001103773719 1303317457 /nfs/dbraw/zinc/31/74/57/1303317457.db2.gz NPRJASXXNGQQJW-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cccnc1 ZINC001230906803 1303539225 /nfs/dbraw/zinc/53/92/25/1303539225.db2.gz VKZOSAYPSBSOBL-UHFFFAOYSA-N 2 1 342.487 2.062 20 30 EEEDMP CC[NH+](CC)CCCN1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232680182 1304215449 /nfs/dbraw/zinc/21/54/49/1304215449.db2.gz YUBSLHQKKRBWBH-UHFFFAOYSA-N 2 1 330.476 2.113 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116092 1304254438 /nfs/dbraw/zinc/25/44/38/1304254438.db2.gz JQHCXVIWLNTKIZ-HUUCEWRRSA-N 2 1 347.425 2.416 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198441 1304321326 /nfs/dbraw/zinc/32/13/26/1304321326.db2.gz VZZRQYQIQKIDDV-VXGBXAGGSA-N 2 1 341.805 2.060 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198441 1304321330 /nfs/dbraw/zinc/32/13/30/1304321330.db2.gz VZZRQYQIQKIDDV-VXGBXAGGSA-N 2 1 341.805 2.060 20 30 EEEDMP CCc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)ccc1C#N ZINC001278034139 1305750034 /nfs/dbraw/zinc/75/00/34/1305750034.db2.gz PEEHRVJJTBZISO-BGYRXZFFSA-N 2 1 326.488 2.331 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCC(=O)OCCCC ZINC001246305439 1310276858 /nfs/dbraw/zinc/27/68/58/1310276858.db2.gz RTOPBPNCLWIGAR-CVEARBPZSA-N 2 1 342.480 2.315 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001246304568 1310276887 /nfs/dbraw/zinc/27/68/87/1310276887.db2.gz NNFKKJRNIUXMKC-QAPCUYQASA-N 2 1 329.444 2.306 20 30 EEEDMP CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000835230730 1314906128 /nfs/dbraw/zinc/90/61/28/1314906128.db2.gz HITHZISIEBNBRL-OAHLLOKOSA-N 2 1 326.400 2.158 20 30 EEEDMP C#CCOC[C@@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001251844235 1317508220 /nfs/dbraw/zinc/50/82/20/1317508220.db2.gz PWUVAEYYNVZFOG-FIRPJDEBSA-N 2 1 342.483 2.108 20 30 EEEDMP C#CCOC[C@@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001251844235 1317508223 /nfs/dbraw/zinc/50/82/23/1317508223.db2.gz PWUVAEYYNVZFOG-FIRPJDEBSA-N 2 1 342.483 2.108 20 30 EEEDMP C#CCOC[C@@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001251844235 1317508229 /nfs/dbraw/zinc/50/82/29/1317508229.db2.gz PWUVAEYYNVZFOG-FIRPJDEBSA-N 2 1 342.483 2.108 20 30 EEEDMP C#CCOC[C@@H](O)C[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001251844235 1317508233 /nfs/dbraw/zinc/50/82/33/1317508233.db2.gz PWUVAEYYNVZFOG-FIRPJDEBSA-N 2 1 342.483 2.108 20 30 EEEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001252594967 1317641193 /nfs/dbraw/zinc/64/11/93/1317641193.db2.gz CURMWZXRMWWWEM-FUHWJXTLSA-N 2 1 338.492 2.053 20 30 EEEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001252594967 1317641196 /nfs/dbraw/zinc/64/11/96/1317641196.db2.gz CURMWZXRMWWWEM-FUHWJXTLSA-N 2 1 338.492 2.053 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374511 1317985006 /nfs/dbraw/zinc/98/50/06/1317985006.db2.gz QWHCMZMMMZERLI-HUUCEWRRSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374511 1317985010 /nfs/dbraw/zinc/98/50/10/1317985010.db2.gz QWHCMZMMMZERLI-HUUCEWRRSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374511 1317985012 /nfs/dbraw/zinc/98/50/12/1317985012.db2.gz QWHCMZMMMZERLI-HUUCEWRRSA-N 2 1 348.516 2.288 20 30 EEEDMP CS(=O)(=O)c1ccc(C(=[NH2+])N[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256904761 1318891966 /nfs/dbraw/zinc/89/19/66/1318891966.db2.gz MYCRRZCXSCNLQS-HNNXBMFYSA-N 2 1 349.500 2.202 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160290880 1320123990 /nfs/dbraw/zinc/12/39/90/1320123990.db2.gz BLYDECFJIPEJLD-QGZVFWFLSA-N 2 1 325.472 2.381 20 30 EEEDMP C=CC[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001160694086 1320236340 /nfs/dbraw/zinc/23/63/40/1320236340.db2.gz DLGPITSCBPUHJF-UHFFFAOYSA-N 2 1 328.460 2.086 20 30 EEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001160694086 1320236346 /nfs/dbraw/zinc/23/63/46/1320236346.db2.gz DLGPITSCBPUHJF-UHFFFAOYSA-N 2 1 328.460 2.086 20 30 EEEDMP CC#CC[N@H+]1CC=C(CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001161585682 1320547996 /nfs/dbraw/zinc/54/79/96/1320547996.db2.gz TXDRIXZEZSJQHQ-UHFFFAOYSA-N 2 1 349.438 2.043 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001161585682 1320548000 /nfs/dbraw/zinc/54/80/00/1320548000.db2.gz TXDRIXZEZSJQHQ-UHFFFAOYSA-N 2 1 349.438 2.043 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001205572883 1323200788 /nfs/dbraw/zinc/20/07/88/1323200788.db2.gz QELZMFXFPFZVBD-UHOSZYNNSA-N 2 1 345.462 2.380 20 30 EEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001207391978 1323955503 /nfs/dbraw/zinc/95/55/03/1323955503.db2.gz SEPFARJGECKZGT-IBGZPJMESA-N 2 1 335.492 2.439 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331273 1324430951 /nfs/dbraw/zinc/43/09/51/1324430951.db2.gz PBNKEYJGQLUTLO-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411052 1324481037 /nfs/dbraw/zinc/48/10/37/1324481037.db2.gz LJKSPGCMBLUWOO-FGTMMUONSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411052 1324481039 /nfs/dbraw/zinc/48/10/39/1324481039.db2.gz LJKSPGCMBLUWOO-FGTMMUONSA-N 2 1 339.524 2.257 20 30 EEEDMP C=CCOC(=O)N1CCC[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001208604753 1324586103 /nfs/dbraw/zinc/58/61/03/1324586103.db2.gz SZGXIMHUQZRFQU-IEBWSBKVSA-N 2 1 335.492 2.439 20 30 EEEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001208604753 1324586106 /nfs/dbraw/zinc/58/61/06/1324586106.db2.gz SZGXIMHUQZRFQU-IEBWSBKVSA-N 2 1 335.492 2.439 20 30 EEEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001208604753 1324586109 /nfs/dbraw/zinc/58/61/09/1324586109.db2.gz SZGXIMHUQZRFQU-IEBWSBKVSA-N 2 1 335.492 2.439 20 30 EEEDMP Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC(C)(C)C[NH+](C)C)cc1C#N ZINC001276658115 1324989582 /nfs/dbraw/zinc/98/95/82/1324989582.db2.gz HHLHBWRZVMFRDA-OALUTQOASA-N 2 1 343.519 2.133 20 30 EEEDMP Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CC(C)(C)C[NH+](C)C)cc1C#N ZINC001276658115 1324989584 /nfs/dbraw/zinc/98/95/84/1324989584.db2.gz HHLHBWRZVMFRDA-OALUTQOASA-N 2 1 343.519 2.133 20 30 EEEDMP Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CC(C)(C)C[NH+](C)C)cc1C#N ZINC001276658115 1324989589 /nfs/dbraw/zinc/98/95/89/1324989589.db2.gz HHLHBWRZVMFRDA-OALUTQOASA-N 2 1 343.519 2.133 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209726105 1325022813 /nfs/dbraw/zinc/02/28/13/1325022813.db2.gz VMQPXCFOVNORSB-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001332078643 1335721626 /nfs/dbraw/zinc/72/16/26/1335721626.db2.gz ZSNGQLJRLQIOLJ-IRXDYDNUSA-N 2 1 348.878 2.379 20 30 EEEDMP C=CCOCC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001100345918 1338288305 /nfs/dbraw/zinc/28/83/05/1338288305.db2.gz GOLIGHBORDTIJG-GTPINHCMSA-N 2 1 348.491 2.084 20 30 EEEDMP N#CCCn1cc(C[NH2+]CC2([NH3+])CCOCC2)c(-c2ccccc2)n1 ZINC001580052183 1344460256 /nfs/dbraw/zinc/46/02/56/1344460256.db2.gz HDEMAMNJOYECTL-UHFFFAOYSA-N 2 1 339.443 2.061 20 30 EEEDMP C[N@@H+](CC(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C1CC1)C1CCC1 ZINC001367904203 1374302942 /nfs/dbraw/zinc/30/29/42/1374302942.db2.gz SLTCSXRCSHDBPY-IBGZPJMESA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001379588974 1380769838 /nfs/dbraw/zinc/76/98/38/1380769838.db2.gz TUFAVXIHASSCCC-KBPBESRZSA-N 2 1 346.313 2.206 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001379588976 1380769438 /nfs/dbraw/zinc/76/94/38/1380769438.db2.gz TUFAVXIHASSCCC-KGLIPLIRSA-N 2 1 346.313 2.206 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001391352832 1389302606 /nfs/dbraw/zinc/30/26/06/1389302606.db2.gz JHDHSOYGTHDNMP-IBGZPJMESA-N 2 1 342.487 2.180 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001398467727 1392888066 /nfs/dbraw/zinc/88/80/66/1392888066.db2.gz OCNNRRUJKAQBRZ-JKSUJKDBSA-N 2 1 329.916 2.496 20 30 EEEDMP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001577710969 1403669683 /nfs/dbraw/zinc/66/96/83/1403669683.db2.gz KSSQYAMPUUIPAO-SJLPKXTDSA-N 2 1 334.508 2.368 20 30 EEEDMP N#CC1(C[C@H](O)C[N@H+](Cc2ccccn2)C2CC[NH2+]CC2)CCC1 ZINC001580038012 1403811691 /nfs/dbraw/zinc/81/16/91/1403811691.db2.gz BXNUCHKAFHVFEG-SFHVURJKSA-N 2 1 328.460 2.080 20 30 EEEDMP N#CC1(C[C@H](O)C[N@@H+](Cc2ccccn2)C2CC[NH2+]CC2)CCC1 ZINC001580038012 1403811704 /nfs/dbraw/zinc/81/17/04/1403811704.db2.gz BXNUCHKAFHVFEG-SFHVURJKSA-N 2 1 328.460 2.080 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001755768663 1407829011 /nfs/dbraw/zinc/82/90/11/1407829011.db2.gz SRUAMHNRYWKYGN-DZGCQCFKSA-N 2 1 347.425 2.273 20 30 EEEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CCC)c(F)c1 ZINC001755901355 1407975959 /nfs/dbraw/zinc/97/59/59/1407975959.db2.gz ONDKPUXPGBHFBB-LJQANCHMSA-N 2 1 345.462 2.429 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942442811 782438058 /nfs/dbraw/zinc/43/80/58/782438058.db2.gz AKYNQNJNEDFXDX-RDJZCZTQSA-N 2 1 339.443 2.284 20 30 EEEDMP Cn1cc(CN2CC[C@@H]3C[N@@H+](CCc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001208926268 757242179 /nfs/dbraw/zinc/24/21/79/757242179.db2.gz DGHPFGSRGLGDDJ-NHCUHLMSSA-N 2 1 349.482 2.288 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1c[nH+]cc1C ZINC001087296512 761513742 /nfs/dbraw/zinc/51/37/42/761513742.db2.gz ADOJDSFYNFTDSH-BPQIPLTHSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1c[nH+]cc1C ZINC001087296512 761513749 /nfs/dbraw/zinc/51/37/49/761513749.db2.gz ADOJDSFYNFTDSH-BPQIPLTHSA-N 2 1 330.476 2.373 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@@H]21 ZINC001087311618 761586943 /nfs/dbraw/zinc/58/69/43/761586943.db2.gz RESZHEWFABYHOY-GUDVDZBRSA-N 2 1 345.531 2.345 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000979712470 770929695 /nfs/dbraw/zinc/92/96/95/770929695.db2.gz MUFBCCJVTXLNPN-FHWLQOOXSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=C)Cl)[C@H](C)C2)CC1 ZINC000948070536 773454474 /nfs/dbraw/zinc/45/44/74/773454474.db2.gz QBGKNWFQKKQTAN-WBVHZDCISA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)Cl)[C@H](C)C2)CC1 ZINC000948070536 773454476 /nfs/dbraw/zinc/45/44/76/773454476.db2.gz QBGKNWFQKKQTAN-WBVHZDCISA-N 2 1 337.895 2.053 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC=C ZINC001089654231 773869359 /nfs/dbraw/zinc/86/93/59/773869359.db2.gz VXOMSNORXAGNKF-MSOLQXFVSA-N 2 1 331.504 2.267 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089870019 783166626 /nfs/dbraw/zinc/16/66/26/783166626.db2.gz PLKUETWDIFKYMO-HAGHYFMRSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098526 783190654 /nfs/dbraw/zinc/19/06/54/783190654.db2.gz UWUXZSFLEJKCNL-AZUAARDMSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725716 774786174 /nfs/dbraw/zinc/78/61/74/774786174.db2.gz KYGZNQJJCACHHV-INIZCTEOSA-N 2 1 342.487 2.391 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001171248512 790474333 /nfs/dbraw/zinc/47/43/33/790474333.db2.gz VZRNYFGRKXCFMA-QZTJIDSGSA-N 2 1 349.523 2.044 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]cn1 ZINC001089820711 776949466 /nfs/dbraw/zinc/94/94/66/776949466.db2.gz OGUUPOKJMOBPAY-AITUJVMLSA-N 2 1 342.487 2.477 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnc[nH]1 ZINC001089820711 776949471 /nfs/dbraw/zinc/94/94/71/776949471.db2.gz OGUUPOKJMOBPAY-AITUJVMLSA-N 2 1 342.487 2.477 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnc[nH]1 ZINC001089820711 776949475 /nfs/dbraw/zinc/94/94/75/776949475.db2.gz OGUUPOKJMOBPAY-AITUJVMLSA-N 2 1 342.487 2.477 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001089851585 778034088 /nfs/dbraw/zinc/03/40/88/778034088.db2.gz WWWSGCVLIQBYIJ-VJANTYMQSA-N 2 1 331.504 2.073 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981780639 778200835 /nfs/dbraw/zinc/20/08/35/778200835.db2.gz NZBQZPXLLNWZIE-QGZVFWFLSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC000981780639 778200839 /nfs/dbraw/zinc/20/08/39/778200839.db2.gz NZBQZPXLLNWZIE-QGZVFWFLSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052582 779000170 /nfs/dbraw/zinc/00/01/70/779000170.db2.gz QSKLKIVEMYBLAR-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC000982159264 779198522 /nfs/dbraw/zinc/19/85/22/779198522.db2.gz BNBHXOHJDZTLTF-UHFFFAOYSA-N 2 1 339.483 2.310 20 30 EEEDMP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C)C[C@H](C)O2 ZINC001111540064 790718694 /nfs/dbraw/zinc/71/86/94/790718694.db2.gz DAOPLAXBHGVMAB-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296702 779615454 /nfs/dbraw/zinc/61/54/54/779615454.db2.gz XSTLSQNYOPFWEV-NXHRZFHOSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296702 779615456 /nfs/dbraw/zinc/61/54/56/779615456.db2.gz XSTLSQNYOPFWEV-NXHRZFHOSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519756 780261734 /nfs/dbraw/zinc/26/17/34/780261734.db2.gz KCNMXBVBAZRYIS-YVSFHVDLSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033268871 783284534 /nfs/dbraw/zinc/28/45/34/783284534.db2.gz MGKOVTUJXAJOKQ-INIZCTEOSA-N 2 1 330.476 2.261 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033268871 783284542 /nfs/dbraw/zinc/28/45/42/783284542.db2.gz MGKOVTUJXAJOKQ-INIZCTEOSA-N 2 1 330.476 2.261 20 30 EEEDMP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481537 783836892 /nfs/dbraw/zinc/83/68/92/783836892.db2.gz VHZXRYAGLIFTRM-JKSUJKDBSA-N 2 1 327.513 2.040 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035257691 784208682 /nfs/dbraw/zinc/20/86/82/784208682.db2.gz BVGBEGDXHVQNAJ-HNNXBMFYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001035257691 784208686 /nfs/dbraw/zinc/20/86/86/784208686.db2.gz BVGBEGDXHVQNAJ-HNNXBMFYSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001035257691 784208690 /nfs/dbraw/zinc/20/86/90/784208690.db2.gz BVGBEGDXHVQNAJ-HNNXBMFYSA-N 2 1 325.884 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035260552 784216494 /nfs/dbraw/zinc/21/64/94/784216494.db2.gz ZMVSUEAGOKYUAG-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035255885 784263242 /nfs/dbraw/zinc/26/32/42/784263242.db2.gz ASGUKOCFVLFNMT-UHFFFAOYSA-N 2 1 331.504 2.200 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135858205 784641667 /nfs/dbraw/zinc/64/16/67/784641667.db2.gz UZJOHPGAEVTSPV-UONOGXRCSA-N 2 1 336.505 2.334 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCC(C)CC2)CC1 ZINC000996685353 787132407 /nfs/dbraw/zinc/13/24/07/787132407.db2.gz OTKPMWCOSGPXLY-QLOJAFMTSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCC(C)CC2)CC1 ZINC000996685353 787132412 /nfs/dbraw/zinc/13/24/12/787132412.db2.gz OTKPMWCOSGPXLY-QLOJAFMTSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2c(N)cc[nH+]c2c1 ZINC001171072745 788384804 /nfs/dbraw/zinc/38/48/04/788384804.db2.gz UDRWYBXTIGDYTO-INIZCTEOSA-N 2 1 328.416 2.456 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109735750 805914618 /nfs/dbraw/zinc/91/46/18/805914618.db2.gz VIMBRTBMVYFLAO-YRXWBPOGSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCC[C@H](O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000923397302 789493534 /nfs/dbraw/zinc/49/35/34/789493534.db2.gz KWLVQSOSMNTUJV-KRWDZBQOSA-N 2 1 332.492 2.383 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC000998271700 792415860 /nfs/dbraw/zinc/41/58/60/792415860.db2.gz YGXTXWKXEVMQSY-ZIAGYGMSSA-N 2 1 333.398 2.026 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C(F)(F)F ZINC000998284385 792463967 /nfs/dbraw/zinc/46/39/67/792463967.db2.gz YJHOWMLSHMJLCM-UONOGXRCSA-N 2 1 344.381 2.137 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001091748299 792718774 /nfs/dbraw/zinc/71/87/74/792718774.db2.gz JUUZLOXQUSWRNO-DYXWJJEUSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001091748299 792718778 /nfs/dbraw/zinc/71/87/78/792718778.db2.gz JUUZLOXQUSWRNO-DYXWJJEUSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC3CCCC3)C[C@@]2(C)C1 ZINC001091748299 792718781 /nfs/dbraw/zinc/71/87/81/792718781.db2.gz JUUZLOXQUSWRNO-DYXWJJEUSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC3CCCC3)C[C@@]2(C)C1 ZINC001091748299 792718785 /nfs/dbraw/zinc/71/87/85/792718785.db2.gz JUUZLOXQUSWRNO-DYXWJJEUSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921380 792986557 /nfs/dbraw/zinc/98/65/57/792986557.db2.gz NYIBGVAQSHHNKV-ROUUACIJSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001086926658 793004465 /nfs/dbraw/zinc/00/44/65/793004465.db2.gz GLIVLPTULIQCCK-DLBZAZTESA-N 2 1 340.471 2.097 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942629 793035651 /nfs/dbraw/zinc/03/56/51/793035651.db2.gz WZGNYAFUWCPBBZ-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946517860 793853265 /nfs/dbraw/zinc/85/32/65/793853265.db2.gz JXGRDVBUEWBMCV-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517860 793853276 /nfs/dbraw/zinc/85/32/76/793853276.db2.gz JXGRDVBUEWBMCV-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517860 793853285 /nfs/dbraw/zinc/85/32/85/793853285.db2.gz JXGRDVBUEWBMCV-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000999300524 794262156 /nfs/dbraw/zinc/26/21/56/794262156.db2.gz LZPDIBNPMDXYLO-VQCLRJIVSA-N 2 1 336.867 2.085 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000999391572 794404585 /nfs/dbraw/zinc/40/45/85/794404585.db2.gz LYLDSHKIODVCTC-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000999391572 794404590 /nfs/dbraw/zinc/40/45/90/794404590.db2.gz LYLDSHKIODVCTC-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1F ZINC001079311140 794600347 /nfs/dbraw/zinc/60/03/47/794600347.db2.gz QUSSNVQQAWHYRI-VDZJLULYSA-N 2 1 345.462 2.238 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093120755 794652762 /nfs/dbraw/zinc/65/27/62/794652762.db2.gz MJFUKUWCFBWUMI-VQIMIIECSA-N 2 1 333.520 2.369 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000999612597 794737315 /nfs/dbraw/zinc/73/73/15/794737315.db2.gz MXHGFDGAZOCOAT-UHFFFAOYSA-N 2 1 345.834 2.212 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089944093 794996195 /nfs/dbraw/zinc/99/61/95/794996195.db2.gz YAHWWYLBCGHCFC-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089944093 794996201 /nfs/dbraw/zinc/99/62/01/794996201.db2.gz YAHWWYLBCGHCFC-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944093 794996207 /nfs/dbraw/zinc/99/62/07/794996207.db2.gz YAHWWYLBCGHCFC-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944093 794996216 /nfs/dbraw/zinc/99/62/16/794996216.db2.gz YAHWWYLBCGHCFC-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036802226 795080113 /nfs/dbraw/zinc/08/01/13/795080113.db2.gz ZYRFQOOBQYPSHW-WBVHZDCISA-N 2 1 331.460 2.454 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036802226 795080120 /nfs/dbraw/zinc/08/01/20/795080120.db2.gz ZYRFQOOBQYPSHW-WBVHZDCISA-N 2 1 331.460 2.454 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093378844 795115522 /nfs/dbraw/zinc/11/55/22/795115522.db2.gz UWPNXRCZZCHLST-ZWKOTPCHSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)CCO2 ZINC001093408090 795146809 /nfs/dbraw/zinc/14/68/09/795146809.db2.gz UDAIMOGVMVLOCZ-ZJRDLVKKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249266 795288891 /nfs/dbraw/zinc/28/88/91/795288891.db2.gz FCKXGOIDHRLADV-BRWVUGGUSA-N 2 1 330.476 2.411 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036858719 795508406 /nfs/dbraw/zinc/50/84/06/795508406.db2.gz DBQVBSKZJHOZHJ-MOPGFXCFSA-N 2 1 331.504 2.053 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436906 795870924 /nfs/dbraw/zinc/87/09/24/795870924.db2.gz PSYGHKOELNWBFT-KURKYZTESA-N 2 1 341.540 2.358 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(C)C)CC3)CC1 ZINC001094582347 796422752 /nfs/dbraw/zinc/42/27/52/796422752.db2.gz NBURCDUEYVIQAW-TZIWHRDSSA-N 2 1 345.531 2.348 20 30 EEEDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970608 797175908 /nfs/dbraw/zinc/17/59/08/797175908.db2.gz HTJGOYFNMFXLBX-CABCVRRESA-N 2 1 333.436 2.073 20 30 EEEDMP CCC[N@@H+](CCC[NH3+])C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173421897 797441142 /nfs/dbraw/zinc/44/11/42/797441142.db2.gz GPPOWQHYEWILRW-UHFFFAOYSA-N 2 1 328.460 2.224 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176267317 798411743 /nfs/dbraw/zinc/41/17/43/798411743.db2.gz ANJXCQJWRMBLFF-QGZVFWFLSA-N 2 1 327.513 2.186 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084944042 798568189 /nfs/dbraw/zinc/56/81/89/798568189.db2.gz OUFCNOCNVHCBPY-FPCVCCKLSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084944042 798568193 /nfs/dbraw/zinc/56/81/93/798568193.db2.gz OUFCNOCNVHCBPY-FPCVCCKLSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001084944042 798568196 /nfs/dbraw/zinc/56/81/96/798568196.db2.gz OUFCNOCNVHCBPY-FPCVCCKLSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001084944042 798568198 /nfs/dbraw/zinc/56/81/98/798568198.db2.gz OUFCNOCNVHCBPY-FPCVCCKLSA-N 2 1 325.884 2.002 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3CCCC3)[C@H]2C1 ZINC001084961149 798579904 /nfs/dbraw/zinc/57/99/04/798579904.db2.gz NRCPPHRWTYGEOX-AABGKKOBSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3CCCC3)[C@H]2C1 ZINC001084961149 798579906 /nfs/dbraw/zinc/57/99/06/798579906.db2.gz NRCPPHRWTYGEOX-AABGKKOBSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@H]2C1 ZINC001084961149 798579908 /nfs/dbraw/zinc/57/99/08/798579908.db2.gz NRCPPHRWTYGEOX-AABGKKOBSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1 ZINC001084961149 798579909 /nfs/dbraw/zinc/57/99/09/798579909.db2.gz NRCPPHRWTYGEOX-AABGKKOBSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032923 798625363 /nfs/dbraw/zinc/62/53/63/798625363.db2.gz JDDAXVKGUQLFTP-FUHIMQAGSA-N 2 1 349.494 2.145 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032923 798625364 /nfs/dbraw/zinc/62/53/64/798625364.db2.gz JDDAXVKGUQLFTP-FUHIMQAGSA-N 2 1 349.494 2.145 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032923 798625365 /nfs/dbraw/zinc/62/53/65/798625365.db2.gz JDDAXVKGUQLFTP-FUHIMQAGSA-N 2 1 349.494 2.145 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101679 798675218 /nfs/dbraw/zinc/67/52/18/798675218.db2.gz YXOKBVQFEQABMR-NEWSRXKRSA-N 2 1 327.472 2.398 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101679 798675220 /nfs/dbraw/zinc/67/52/20/798675220.db2.gz YXOKBVQFEQABMR-NEWSRXKRSA-N 2 1 327.472 2.398 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001177150049 798774478 /nfs/dbraw/zinc/77/44/78/798774478.db2.gz HBWNPUVNPJHINI-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001177150049 798774483 /nfs/dbraw/zinc/77/44/83/798774483.db2.gz HBWNPUVNPJHINI-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707966 799598881 /nfs/dbraw/zinc/59/88/81/799598881.db2.gz PVWARWXRKSANSI-SCTDSRPQSA-N 2 1 331.504 2.243 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001003622917 799901980 /nfs/dbraw/zinc/90/19/80/799901980.db2.gz CKUDPOBNOUCYBT-INIZCTEOSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003776193 800142741 /nfs/dbraw/zinc/14/27/41/800142741.db2.gz JYXSXMBIMKDLFZ-JKSUJKDBSA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003776193 800142742 /nfs/dbraw/zinc/14/27/42/800142742.db2.gz JYXSXMBIMKDLFZ-JKSUJKDBSA-N 2 1 325.884 2.336 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199580 800237155 /nfs/dbraw/zinc/23/71/55/800237155.db2.gz SEGQSGLWMJJFTP-BHIYHBOVSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085230309 800266038 /nfs/dbraw/zinc/26/60/38/800266038.db2.gz OSHLRPGGCYQZEY-KURKYZTESA-N 2 1 345.512 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085230309 800266043 /nfs/dbraw/zinc/26/60/43/800266043.db2.gz OSHLRPGGCYQZEY-KURKYZTESA-N 2 1 345.512 2.363 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182885 800290175 /nfs/dbraw/zinc/29/01/75/800290175.db2.gz SKMSHSZYVJIXHN-OKZBNKHCSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182885 800290183 /nfs/dbraw/zinc/29/01/83/800290183.db2.gz SKMSHSZYVJIXHN-OKZBNKHCSA-N 2 1 339.524 2.257 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001180222663 800315106 /nfs/dbraw/zinc/31/51/06/800315106.db2.gz RZVLBDGWAGSQQG-KSSFIOAISA-N 2 1 346.450 2.117 20 30 EEEDMP CC#CC[NH2+]CCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001180452696 800435683 /nfs/dbraw/zinc/43/56/83/800435683.db2.gz ZFDHJAWTXWPNKA-UHFFFAOYSA-N 2 1 329.488 2.408 20 30 EEEDMP CC#CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180452696 800435686 /nfs/dbraw/zinc/43/56/86/800435686.db2.gz ZFDHJAWTXWPNKA-UHFFFAOYSA-N 2 1 329.488 2.408 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001085422490 800481269 /nfs/dbraw/zinc/48/12/69/800481269.db2.gz VQAMKXGLVPVIOM-GUDVDZBRSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C1 ZINC001181763666 800896673 /nfs/dbraw/zinc/89/66/73/800896673.db2.gz GLWBHYZKYUWILW-WSTZPKSXSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C1 ZINC001181763666 800896680 /nfs/dbraw/zinc/89/66/80/800896680.db2.gz GLWBHYZKYUWILW-WSTZPKSXSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182807850 801356784 /nfs/dbraw/zinc/35/67/84/801356784.db2.gz YWQOLLBIKRGXFW-WSTZPKSXSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081207 801502151 /nfs/dbraw/zinc/50/21/51/801502151.db2.gz FZXPOPKJQAUTND-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033081207 801502159 /nfs/dbraw/zinc/50/21/59/801502159.db2.gz FZXPOPKJQAUTND-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033081207 801502163 /nfs/dbraw/zinc/50/21/63/801502163.db2.gz FZXPOPKJQAUTND-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592326 801681291 /nfs/dbraw/zinc/68/12/91/801681291.db2.gz HTYDOTWLIMEQCV-YRPNKDGESA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592326 801681296 /nfs/dbraw/zinc/68/12/96/801681296.db2.gz HTYDOTWLIMEQCV-YRPNKDGESA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592326 801681300 /nfs/dbraw/zinc/68/13/00/801681300.db2.gz HTYDOTWLIMEQCV-YRPNKDGESA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185234889 802435729 /nfs/dbraw/zinc/43/57/29/802435729.db2.gz JOUIHSRZBPOMSG-ZWKOTPCHSA-N 2 1 344.503 2.494 20 30 EEEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001108258023 802598164 /nfs/dbraw/zinc/59/81/64/802598164.db2.gz OVJXYZSDOSSBJT-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001108258023 802598169 /nfs/dbraw/zinc/59/81/69/802598169.db2.gz OVJXYZSDOSSBJT-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001108258023 802598171 /nfs/dbraw/zinc/59/81/71/802598171.db2.gz OVJXYZSDOSSBJT-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086365174 802832609 /nfs/dbraw/zinc/83/26/09/802832609.db2.gz HNACMYFOXFNTIT-KLHDSHLOSA-N 2 1 325.884 2.098 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001113348673 808789570 /nfs/dbraw/zinc/78/95/70/808789570.db2.gz YOFQTSQTGHGQQY-WBVHZDCISA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@H](C)O2 ZINC001131701513 813132643 /nfs/dbraw/zinc/13/26/43/813132643.db2.gz WKMSKBUGPRIXIZ-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001440599679 1093864074 /nfs/dbraw/zinc/86/40/74/1093864074.db2.gz QEPHBBJTPDYSSF-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC001442975986 1097399994 /nfs/dbraw/zinc/39/99/94/1097399994.db2.gz VSFFQHXUPICPHK-UHFFFAOYSA-N 2 1 339.443 2.092 20 30 EEEDMP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC001442975986 1097400007 /nfs/dbraw/zinc/40/00/07/1097400007.db2.gz VSFFQHXUPICPHK-UHFFFAOYSA-N 2 1 339.443 2.092 20 30 EEEDMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)CCC1 ZINC001493108478 1107509414 /nfs/dbraw/zinc/50/94/14/1107509414.db2.gz OXRFQFBCDDARDO-CQSZACIVSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)CCC1 ZINC001493108478 1107509426 /nfs/dbraw/zinc/50/94/26/1107509426.db2.gz OXRFQFBCDDARDO-CQSZACIVSA-N 2 1 346.500 2.185 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1c(F)cccc1Cl ZINC000073772772 216422454 /nfs/dbraw/zinc/42/24/54/216422454.db2.gz CHUHAAVGEWFYLN-LBPRGKRZSA-N 2 1 326.847 2.438 20 30 EEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000422830943 240251423 /nfs/dbraw/zinc/25/14/23/240251423.db2.gz JAKQHZPRPUGZDG-VNTMZGSJSA-N 2 1 335.536 2.432 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000491418439 246025786 /nfs/dbraw/zinc/02/57/86/246025786.db2.gz QUCIBHFBTYZYBM-HNNXBMFYSA-N 2 1 330.350 2.163 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000491418439 246025792 /nfs/dbraw/zinc/02/57/92/246025792.db2.gz QUCIBHFBTYZYBM-HNNXBMFYSA-N 2 1 330.350 2.163 20 30 EEEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000104166528 285205146 /nfs/dbraw/zinc/20/51/46/285205146.db2.gz GNSUKKIHJHQCBV-WBVHZDCISA-N 2 1 348.491 2.161 20 30 EEEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000491504552 533163521 /nfs/dbraw/zinc/16/35/21/533163521.db2.gz IJYHDQYNJGUUHU-QGZVFWFLSA-N 2 1 327.472 2.290 20 30 EEEDMP Cc1nccn1CCC[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000130816402 292379048 /nfs/dbraw/zinc/37/90/48/292379048.db2.gz VQQXYCMLMMUYJK-UHFFFAOYSA-N 2 1 331.445 2.475 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000130816402 292379049 /nfs/dbraw/zinc/37/90/49/292379049.db2.gz VQQXYCMLMMUYJK-UHFFFAOYSA-N 2 1 331.445 2.475 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000130816402 292379050 /nfs/dbraw/zinc/37/90/50/292379050.db2.gz VQQXYCMLMMUYJK-UHFFFAOYSA-N 2 1 331.445 2.475 20 30 EEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000247974900 160334768 /nfs/dbraw/zinc/33/47/68/160334768.db2.gz KNQLAMGSIFHCDI-SJLPKXTDSA-N 2 1 326.444 2.303 20 30 EEEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)C23CCC[NH+]2CCC3)CCC[N@H+]1C ZINC000329017049 465204215 /nfs/dbraw/zinc/20/42/15/465204215.db2.gz QXAQFGONQUFHNK-DOTOQJQBSA-N 2 1 345.491 2.388 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)C(C)C ZINC000355469314 465250782 /nfs/dbraw/zinc/25/07/82/465250782.db2.gz FIGHVESLYOIYHS-QZTJIDSGSA-N 2 1 336.524 2.421 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCOCc1ccccc1 ZINC000264318450 464294681 /nfs/dbraw/zinc/29/46/81/464294681.db2.gz XAOAMDBZQKZDJC-GOSISDBHSA-N 2 1 332.492 2.372 20 30 EEEDMP C#CCNC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292895568 464376036 /nfs/dbraw/zinc/37/60/36/464376036.db2.gz VOXGJJMCQRYDNM-PMACEKPBSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000292895568 464376043 /nfs/dbraw/zinc/37/60/43/464376043.db2.gz VOXGJJMCQRYDNM-PMACEKPBSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000292895568 464376053 /nfs/dbraw/zinc/37/60/53/464376053.db2.gz VOXGJJMCQRYDNM-PMACEKPBSA-N 2 1 339.483 2.112 20 30 EEEDMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1C#N ZINC000281850348 464607978 /nfs/dbraw/zinc/60/79/78/464607978.db2.gz ZDWCYGFSFCUGBD-RTBURBONSA-N 2 1 343.471 2.424 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000369331363 466726826 /nfs/dbraw/zinc/72/68/26/466726826.db2.gz OVHWFRVAONYTJG-UHFFFAOYSA-N 2 1 341.455 2.105 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000365232951 466751771 /nfs/dbraw/zinc/75/17/71/466751771.db2.gz GFSRRAPTDWECMP-GOSISDBHSA-N 2 1 330.451 2.298 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000365232951 466751776 /nfs/dbraw/zinc/75/17/76/466751776.db2.gz GFSRRAPTDWECMP-GOSISDBHSA-N 2 1 330.451 2.298 20 30 EEEDMP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000518817287 468127979 /nfs/dbraw/zinc/12/79/79/468127979.db2.gz NCSUJMSPNPPCOY-SFHVURJKSA-N 2 1 340.471 2.003 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CC1 ZINC000490635307 468228219 /nfs/dbraw/zinc/22/82/19/468228219.db2.gz FTZYTLUQSRCCFQ-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)c1 ZINC000594446635 468592618 /nfs/dbraw/zinc/59/26/18/468592618.db2.gz VMCYQUHPWZSXKZ-GOSISDBHSA-N 2 1 328.460 2.051 20 30 EEEDMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000447564059 535803784 /nfs/dbraw/zinc/80/37/84/535803784.db2.gz UNJCKZJPDWCNGC-ZWKOTPCHSA-N 2 1 328.460 2.186 20 30 EEEDMP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000265038047 535944856 /nfs/dbraw/zinc/94/48/56/535944856.db2.gz MJGAEPKCDOAWCZ-ZDUSSCGKSA-N 2 1 346.500 2.321 20 30 EEEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000265038047 535944860 /nfs/dbraw/zinc/94/48/60/535944860.db2.gz MJGAEPKCDOAWCZ-ZDUSSCGKSA-N 2 1 346.500 2.321 20 30 EEEDMP N#CCCNC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127954 577513605 /nfs/dbraw/zinc/51/36/05/577513605.db2.gz GGQAMJODDTUGTH-RBUKOAKNSA-N 2 1 340.471 2.003 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000750848211 577743625 /nfs/dbraw/zinc/74/36/25/577743625.db2.gz PUEJMBKBUIGRLM-HOJAQTOUSA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000750848211 577743626 /nfs/dbraw/zinc/74/36/26/577743626.db2.gz PUEJMBKBUIGRLM-HOJAQTOUSA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000750848211 577743627 /nfs/dbraw/zinc/74/36/27/577743627.db2.gz PUEJMBKBUIGRLM-HOJAQTOUSA-N 2 1 339.483 2.253 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000750848211 577743628 /nfs/dbraw/zinc/74/36/28/577743628.db2.gz PUEJMBKBUIGRLM-HOJAQTOUSA-N 2 1 339.483 2.253 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC000749546306 577977880 /nfs/dbraw/zinc/97/78/80/577977880.db2.gz OQDJDNVKNFOFLE-NZSAHSFTSA-N 2 1 329.444 2.272 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(OCC#N)cc1 ZINC000749546306 577977881 /nfs/dbraw/zinc/97/78/81/577977881.db2.gz OQDJDNVKNFOFLE-NZSAHSFTSA-N 2 1 329.444 2.272 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021619006 676272736 /nfs/dbraw/zinc/27/27/36/676272736.db2.gz IUSOEHLBKNIWCR-VQIMIIECSA-N 2 1 336.439 2.202 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001022166161 676713289 /nfs/dbraw/zinc/71/32/89/676713289.db2.gz NGQNHTQJVXSQBP-CEXWTWQISA-N 2 1 340.471 2.169 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023423532 679300415 /nfs/dbraw/zinc/30/04/15/679300415.db2.gz YRYHCIXFHLAVNR-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023423532 679300416 /nfs/dbraw/zinc/30/04/16/679300416.db2.gz YRYHCIXFHLAVNR-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023423532 679300417 /nfs/dbraw/zinc/30/04/17/679300417.db2.gz YRYHCIXFHLAVNR-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023423532 679300418 /nfs/dbraw/zinc/30/04/18/679300418.db2.gz YRYHCIXFHLAVNR-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023423532 679300419 /nfs/dbraw/zinc/30/04/19/679300419.db2.gz YRYHCIXFHLAVNR-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972650982 679510887 /nfs/dbraw/zinc/51/08/87/679510887.db2.gz NGXBUOHLGMXYJP-MRXNPFEDSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972650982 679510889 /nfs/dbraw/zinc/51/08/89/679510889.db2.gz NGXBUOHLGMXYJP-MRXNPFEDSA-N 2 1 327.900 2.392 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CC(C)C2)CC1 ZINC001024813294 681466081 /nfs/dbraw/zinc/46/60/81/681466081.db2.gz YNQLMJCMSFXEMU-QLOJAFMTSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982555518 681640866 /nfs/dbraw/zinc/64/08/66/681640866.db2.gz ALXYSMPDNSOCTL-QXRTWZOPSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982555518 681640870 /nfs/dbraw/zinc/64/08/70/681640870.db2.gz ALXYSMPDNSOCTL-QXRTWZOPSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982555518 681640879 /nfs/dbraw/zinc/64/08/79/681640879.db2.gz ALXYSMPDNSOCTL-QXRTWZOPSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982555518 681640884 /nfs/dbraw/zinc/64/08/84/681640884.db2.gz ALXYSMPDNSOCTL-QXRTWZOPSA-N 2 1 339.911 2.107 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641474 681938120 /nfs/dbraw/zinc/93/81/20/681938120.db2.gz NDVUFBCESKFEBF-BWPNAZKDSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982641474 681938123 /nfs/dbraw/zinc/93/81/23/681938123.db2.gz NDVUFBCESKFEBF-BWPNAZKDSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982641474 681938125 /nfs/dbraw/zinc/93/81/25/681938125.db2.gz NDVUFBCESKFEBF-BWPNAZKDSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001025279439 682388726 /nfs/dbraw/zinc/38/87/26/682388726.db2.gz BQLHADYJQVNING-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460756 682824416 /nfs/dbraw/zinc/82/44/16/682824416.db2.gz MCVVJIQAINWGQZ-CABCVRRESA-N 2 1 334.464 2.143 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460756 682824420 /nfs/dbraw/zinc/82/44/20/682824420.db2.gz MCVVJIQAINWGQZ-CABCVRRESA-N 2 1 334.464 2.143 20 30 EEEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001026299550 684218795 /nfs/dbraw/zinc/21/87/95/684218795.db2.gz WOVKVTOJKIADKW-RYQLBKOJSA-N 2 1 331.504 2.099 20 30 EEEDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000895684226 684686662 /nfs/dbraw/zinc/68/66/62/684686662.db2.gz BMGQNCPBNGQCLO-UHFFFAOYSA-N 2 1 326.448 2.299 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975033676 686084210 /nfs/dbraw/zinc/08/42/10/686084210.db2.gz FVDZCSUKFIEVDB-WBVHZDCISA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975033676 686084213 /nfs/dbraw/zinc/08/42/13/686084213.db2.gz FVDZCSUKFIEVDB-WBVHZDCISA-N 2 1 330.476 2.157 20 30 EEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027699609 694022696 /nfs/dbraw/zinc/02/26/96/694022696.db2.gz GUODZRMWMMKBIR-INIZCTEOSA-N 2 1 331.460 2.291 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC(CC)CC)CC2)CC1 ZINC000989734996 692230459 /nfs/dbraw/zinc/23/04/59/692230459.db2.gz NLIYDSZHNILBKH-UHFFFAOYSA-N 2 1 333.520 2.302 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000977391392 692560528 /nfs/dbraw/zinc/56/05/28/692560528.db2.gz UCQTZAREHPMABV-QGZVFWFLSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000977391392 692560529 /nfs/dbraw/zinc/56/05/29/692560529.db2.gz UCQTZAREHPMABV-QGZVFWFLSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040245703 692639717 /nfs/dbraw/zinc/63/97/17/692639717.db2.gz WMDSPLYLJRVGMH-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040245703 692639721 /nfs/dbraw/zinc/63/97/21/692639721.db2.gz WMDSPLYLJRVGMH-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040245703 692639724 /nfs/dbraw/zinc/63/97/24/692639724.db2.gz WMDSPLYLJRVGMH-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027545547 692842513 /nfs/dbraw/zinc/84/25/13/692842513.db2.gz CUFQCCJFSLOTRQ-JYJNAYRXSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001027545547 692842519 /nfs/dbraw/zinc/84/25/19/692842519.db2.gz CUFQCCJFSLOTRQ-JYJNAYRXSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001027545547 692842523 /nfs/dbraw/zinc/84/25/23/692842523.db2.gz CUFQCCJFSLOTRQ-JYJNAYRXSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001027545547 692842529 /nfs/dbraw/zinc/84/25/29/692842529.db2.gz CUFQCCJFSLOTRQ-JYJNAYRXSA-N 2 1 327.900 2.392 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990664067 693170698 /nfs/dbraw/zinc/17/06/98/693170698.db2.gz SSQILJFQKVBRAS-SLYNCCJLSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990664067 693170700 /nfs/dbraw/zinc/17/07/00/693170700.db2.gz SSQILJFQKVBRAS-SLYNCCJLSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990664067 693170701 /nfs/dbraw/zinc/17/07/01/693170701.db2.gz SSQILJFQKVBRAS-SLYNCCJLSA-N 2 1 343.515 2.387 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943515444 1192325573 /nfs/dbraw/zinc/32/55/73/1192325573.db2.gz GVQHWPZRWNBLKF-QFBILLFUSA-N 2 1 327.472 2.212 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001482693567 1187660848 /nfs/dbraw/zinc/66/08/48/1187660848.db2.gz LDIFICZKAXLTDO-RBUKOAKNSA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076051088 1188681190 /nfs/dbraw/zinc/68/11/90/1188681190.db2.gz FRVKSLREQMQKEU-QFBILLFUSA-N 2 1 342.487 2.261 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076051088 1188681191 /nfs/dbraw/zinc/68/11/91/1188681191.db2.gz FRVKSLREQMQKEU-QFBILLFUSA-N 2 1 342.487 2.261 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272699703 1191782122 /nfs/dbraw/zinc/78/21/22/1191782122.db2.gz NAHONZXPPLSVMD-LJQANCHMSA-N 2 1 335.492 2.136 20 30 EEEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001273128105 1194411488 /nfs/dbraw/zinc/41/14/88/1194411488.db2.gz NKXPAJYNVFDSDP-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC001034138112 1195810388 /nfs/dbraw/zinc/81/03/88/1195810388.db2.gz NSXFTRPLUXOMAT-YOEHRIQHSA-N 2 1 346.500 2.185 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034403952 1196196391 /nfs/dbraw/zinc/19/63/91/1196196391.db2.gz FILAAGOAGZGZRZ-FQEVSTJZSA-N 2 1 341.499 2.398 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001045533159 1196528903 /nfs/dbraw/zinc/52/89/03/1196528903.db2.gz CXFKBTAXOBNYST-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001045533159 1196528906 /nfs/dbraw/zinc/52/89/06/1196528906.db2.gz CXFKBTAXOBNYST-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000871187349 1201091099 /nfs/dbraw/zinc/09/10/99/1201091099.db2.gz CZEAGHGCENWQDH-FQEVSTJZSA-N 2 1 339.483 2.031 20 30 EEEDMP CN(C(=O)C[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001006405195 1202498882 /nfs/dbraw/zinc/49/88/82/1202498882.db2.gz BEQIZTFSTHVJGY-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095416984 1205717957 /nfs/dbraw/zinc/71/79/57/1205717957.db2.gz BYVYWKKBQFKTMK-RNQOJCNYSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001095416984 1205717958 /nfs/dbraw/zinc/71/79/58/1205717958.db2.gz BYVYWKKBQFKTMK-RNQOJCNYSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001095416984 1205717960 /nfs/dbraw/zinc/71/79/60/1205717960.db2.gz BYVYWKKBQFKTMK-RNQOJCNYSA-N 2 1 343.515 2.386 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015230952 1224953051 /nfs/dbraw/zinc/95/30/51/1224953051.db2.gz AXHQEMSONDVXDQ-HNNXBMFYSA-N 2 1 325.416 2.038 20 30 EEEDMP CN1CC[N@@H+](CCCNC(=[NH2+])N2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000303908881 1213924302 /nfs/dbraw/zinc/92/43/02/1213924302.db2.gz XWSAYINWEAJFPC-LJQANCHMSA-N 2 1 343.519 2.166 20 30 EEEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])N2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000303908881 1213924304 /nfs/dbraw/zinc/92/43/04/1213924304.db2.gz XWSAYINWEAJFPC-LJQANCHMSA-N 2 1 343.519 2.166 20 30 EEEDMP C[N@H+]1CCN(CCCNC(=[NH2+])N2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000303908881 1213924312 /nfs/dbraw/zinc/92/43/12/1213924312.db2.gz XWSAYINWEAJFPC-LJQANCHMSA-N 2 1 343.519 2.166 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](OC)c1ccccc1Cl ZINC000305062766 1216138879 /nfs/dbraw/zinc/13/88/79/1216138879.db2.gz KGKACEIZHKKGQL-CJNGLKHVSA-N 2 1 338.883 2.416 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000961375547 1217163386 /nfs/dbraw/zinc/16/33/86/1217163386.db2.gz OQDPBUKTWSSKMF-OALUTQOASA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CCF)C2)CC1 ZINC000961375547 1217163387 /nfs/dbraw/zinc/16/33/87/1217163387.db2.gz OQDPBUKTWSSKMF-OALUTQOASA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CCF)C2)CC1 ZINC000961375547 1217163389 /nfs/dbraw/zinc/16/33/89/1217163389.db2.gz OQDPBUKTWSSKMF-OALUTQOASA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CCF)C2)CC1 ZINC000961375547 1217163392 /nfs/dbraw/zinc/16/33/92/1217163392.db2.gz OQDPBUKTWSSKMF-OALUTQOASA-N 2 1 349.494 2.004 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961374958 1217163423 /nfs/dbraw/zinc/16/34/23/1217163423.db2.gz MNRJFPROOCEGNE-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000961374958 1217163426 /nfs/dbraw/zinc/16/34/26/1217163426.db2.gz MNRJFPROOCEGNE-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961374958 1217163428 /nfs/dbraw/zinc/16/34/28/1217163428.db2.gz MNRJFPROOCEGNE-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961374958 1217163430 /nfs/dbraw/zinc/16/34/30/1217163430.db2.gz MNRJFPROOCEGNE-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC000964372902 1218308236 /nfs/dbraw/zinc/30/82/36/1218308236.db2.gz YASPKMSEHIDTRL-UHFFFAOYSA-N 2 1 342.487 2.355 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000968645080 1221460326 /nfs/dbraw/zinc/46/03/26/1221460326.db2.gz MDQOPUBBUVDZRX-MOPGFXCFSA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C)CC1 ZINC000968681236 1221486932 /nfs/dbraw/zinc/48/69/32/1221486932.db2.gz HXKZIJQRJAFKEW-HKUYNNGSSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969073277 1221784407 /nfs/dbraw/zinc/78/44/07/1221784407.db2.gz YTHAARKRLSSONG-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007961512 1222532371 /nfs/dbraw/zinc/53/23/71/1222532371.db2.gz KMCYJHNRTYZMJI-MRXNPFEDSA-N 2 1 330.476 2.309 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007961512 1222532378 /nfs/dbraw/zinc/53/23/78/1222532378.db2.gz KMCYJHNRTYZMJI-MRXNPFEDSA-N 2 1 330.476 2.309 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001008534318 1222911888 /nfs/dbraw/zinc/91/18/88/1222911888.db2.gz XNFHQBFRXGNGJW-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001008534318 1222911890 /nfs/dbraw/zinc/91/18/90/1222911890.db2.gz XNFHQBFRXGNGJW-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001008534318 1222911892 /nfs/dbraw/zinc/91/18/92/1222911892.db2.gz XNFHQBFRXGNGJW-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001008534318 1222911895 /nfs/dbraw/zinc/91/18/95/1222911895.db2.gz XNFHQBFRXGNGJW-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001008549796 1222921537 /nfs/dbraw/zinc/92/15/37/1222921537.db2.gz GUTIBADGEPTLEZ-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001008549796 1222921539 /nfs/dbraw/zinc/92/15/39/1222921539.db2.gz GUTIBADGEPTLEZ-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001016697403 1226791987 /nfs/dbraw/zinc/79/19/87/1226791987.db2.gz FOBOACGAFQTGKH-QGZVFWFLSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039131506 1230341016 /nfs/dbraw/zinc/34/10/16/1230341016.db2.gz NXZZYWZOYALSER-RTBURBONSA-N 2 1 331.504 2.075 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C/C=C/Cl)C2 ZINC001040244819 1231129736 /nfs/dbraw/zinc/12/97/36/1231129736.db2.gz OESFOQNXJVLSFX-FMKYGRDNSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C/C=C/Cl)C2 ZINC001040244819 1231129737 /nfs/dbraw/zinc/12/97/37/1231129737.db2.gz OESFOQNXJVLSFX-FMKYGRDNSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C/C=C/Cl)C2 ZINC001040244819 1231129738 /nfs/dbraw/zinc/12/97/38/1231129738.db2.gz OESFOQNXJVLSFX-FMKYGRDNSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C/C=C/Cl)C2 ZINC001040244819 1231129741 /nfs/dbraw/zinc/12/97/41/1231129741.db2.gz OESFOQNXJVLSFX-FMKYGRDNSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430353 1231227890 /nfs/dbraw/zinc/22/78/90/1231227890.db2.gz BGJWPJUJQBQSRY-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546317 1231286506 /nfs/dbraw/zinc/28/65/06/1231286506.db2.gz CFXMMUAXBJNOPY-PZJWPPBQSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546317 1231286510 /nfs/dbraw/zinc/28/65/10/1231286510.db2.gz CFXMMUAXBJNOPY-PZJWPPBQSA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040953216 1231409042 /nfs/dbraw/zinc/40/90/42/1231409042.db2.gz LCKCRSNUBRATLE-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001041677380 1231647053 /nfs/dbraw/zinc/64/70/53/1231647053.db2.gz BJOHAHIUYRDQNQ-OALUTQOASA-N 2 1 337.483 2.309 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677380 1231647054 /nfs/dbraw/zinc/64/70/54/1231647054.db2.gz BJOHAHIUYRDQNQ-OALUTQOASA-N 2 1 337.483 2.309 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677380 1231647056 /nfs/dbraw/zinc/64/70/56/1231647056.db2.gz BJOHAHIUYRDQNQ-OALUTQOASA-N 2 1 337.483 2.309 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001045385857 1233711109 /nfs/dbraw/zinc/71/11/09/1233711109.db2.gz ZNPRLWBURVBADR-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001046556601 1234935663 /nfs/dbraw/zinc/93/56/63/1234935663.db2.gz JOHZZIHIGABVDR-ICSRJNTNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001046556601 1234935667 /nfs/dbraw/zinc/93/56/67/1234935667.db2.gz JOHZZIHIGABVDR-ICSRJNTNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046556601 1234935669 /nfs/dbraw/zinc/93/56/69/1234935669.db2.gz JOHZZIHIGABVDR-ICSRJNTNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046626119 1235008898 /nfs/dbraw/zinc/00/88/98/1235008898.db2.gz PSQRXICYCWDTBV-GOSISDBHSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046626119 1235008901 /nfs/dbraw/zinc/00/89/01/1235008901.db2.gz PSQRXICYCWDTBV-GOSISDBHSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCc3nccn32)C1 ZINC001046943196 1235337166 /nfs/dbraw/zinc/33/71/66/1235337166.db2.gz QOFFQOCSLIJBLJ-UONOGXRCSA-N 2 1 338.402 2.020 20 30 EEEDMP C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCc3nccn32)C1 ZINC001046943196 1235337168 /nfs/dbraw/zinc/33/71/68/1235337168.db2.gz QOFFQOCSLIJBLJ-UONOGXRCSA-N 2 1 338.402 2.020 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171010 1240174347 /nfs/dbraw/zinc/17/43/47/1240174347.db2.gz IAZYXUAUEUCEEE-MWDXBVQZSA-N 2 1 339.911 2.250 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049475696 1241064976 /nfs/dbraw/zinc/06/49/76/1241064976.db2.gz ALTCBVHHHADVHD-ROUUACIJSA-N 2 1 336.439 2.345 20 30 EEEDMP CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049475696 1241064983 /nfs/dbraw/zinc/06/49/83/1241064983.db2.gz ALTCBVHHHADVHD-ROUUACIJSA-N 2 1 336.439 2.345 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049753501 1242094721 /nfs/dbraw/zinc/09/47/21/1242094721.db2.gz KKKVMPAWGHLHBH-DLBZAZTESA-N 2 1 328.460 2.095 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049753501 1242094729 /nfs/dbraw/zinc/09/47/29/1242094729.db2.gz KKKVMPAWGHLHBH-DLBZAZTESA-N 2 1 328.460 2.095 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001001404197 1242207233 /nfs/dbraw/zinc/20/72/33/1242207233.db2.gz HLJBRBNBOFHJTC-IRXDYDNUSA-N 2 1 339.911 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001404197 1242207242 /nfs/dbraw/zinc/20/72/42/1242207242.db2.gz HLJBRBNBOFHJTC-IRXDYDNUSA-N 2 1 339.911 2.442 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001001475382 1242344167 /nfs/dbraw/zinc/34/41/67/1242344167.db2.gz CLTMRQKOQHOGNZ-IBGZPJMESA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C/C=C/Cl)CC2)CC1 ZINC001052952056 1245541303 /nfs/dbraw/zinc/54/13/03/1245541303.db2.gz BJHCYOLXFIRQET-QVNOTHCHSA-N 2 1 337.895 2.055 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461511 1245859410 /nfs/dbraw/zinc/85/94/10/1245859410.db2.gz GOQWXABBEWCBOF-SUMDDJOVSA-N 2 1 330.476 2.327 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461511 1245859419 /nfs/dbraw/zinc/85/94/19/1245859419.db2.gz GOQWXABBEWCBOF-SUMDDJOVSA-N 2 1 330.476 2.327 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054132196 1247480082 /nfs/dbraw/zinc/48/00/82/1247480082.db2.gz BCRFVSHRCOYXPO-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186433 1247655166 /nfs/dbraw/zinc/65/51/66/1247655166.db2.gz SDNMTNFIIWRCDS-HXUWFJFHSA-N 2 1 343.471 2.293 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054239726 1247830246 /nfs/dbraw/zinc/83/02/46/1247830246.db2.gz KQTMARIRGOTCHZ-RDJZCZTQSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054239726 1247830258 /nfs/dbraw/zinc/83/02/58/1247830258.db2.gz KQTMARIRGOTCHZ-RDJZCZTQSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054239726 1247830272 /nfs/dbraw/zinc/83/02/72/1247830272.db2.gz KQTMARIRGOTCHZ-RDJZCZTQSA-N 2 1 325.884 2.005 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244997 1247861502 /nfs/dbraw/zinc/86/15/02/1247861502.db2.gz MNBNVPHEBSSGRD-CTNGQTDRSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc3c(c2)C[N@@H+](C(C)C)C3)CC1 ZINC001054292593 1248033134 /nfs/dbraw/zinc/03/31/34/1248033134.db2.gz MXZQOYTVGJRUJQ-UHFFFAOYSA-N 2 1 339.483 2.372 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001072752533 1255343691 /nfs/dbraw/zinc/34/36/91/1255343691.db2.gz OJIBLEJDXTYNHB-LSDHHAIUSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001072752533 1255343698 /nfs/dbraw/zinc/34/36/98/1255343698.db2.gz OJIBLEJDXTYNHB-LSDHHAIUSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072752533 1255343707 /nfs/dbraw/zinc/34/37/07/1255343707.db2.gz OJIBLEJDXTYNHB-LSDHHAIUSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072752533 1255343717 /nfs/dbraw/zinc/34/37/17/1255343717.db2.gz OJIBLEJDXTYNHB-LSDHHAIUSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001074314529 1256907842 /nfs/dbraw/zinc/90/78/42/1256907842.db2.gz HGAKPPWSCVZUOM-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001074314529 1256907845 /nfs/dbraw/zinc/90/78/45/1256907845.db2.gz HGAKPPWSCVZUOM-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C(F)(F)F ZINC001099315966 1258078526 /nfs/dbraw/zinc/07/85/26/1258078526.db2.gz PYPRPZCTFUJHQX-CHWSQXEVSA-N 2 1 344.381 2.171 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673479 1279982811 /nfs/dbraw/zinc/98/28/11/1279982811.db2.gz OEDKKRGUXFCEPM-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001192036973 1281774854 /nfs/dbraw/zinc/77/48/54/1281774854.db2.gz DQPFSNXFKDSDMS-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001192036973 1281774857 /nfs/dbraw/zinc/77/48/57/1281774857.db2.gz DQPFSNXFKDSDMS-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccccc2Cl)C1 ZINC001192162552 1281831592 /nfs/dbraw/zinc/83/15/92/1281831592.db2.gz QFOBRWARBCWWKR-QGZVFWFLSA-N 2 1 347.890 2.176 20 30 EEEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2Cl)C1 ZINC001192162552 1281831595 /nfs/dbraw/zinc/83/15/95/1281831595.db2.gz QFOBRWARBCWWKR-QGZVFWFLSA-N 2 1 347.890 2.176 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354549 1281946419 /nfs/dbraw/zinc/94/64/19/1281946419.db2.gz MQVUZKUUOSQAOV-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354549 1281946425 /nfs/dbraw/zinc/94/64/25/1281946425.db2.gz MQVUZKUUOSQAOV-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001192958168 1282246761 /nfs/dbraw/zinc/24/67/61/1282246761.db2.gz FPMYMAHGILSFCK-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCC(C)C)C2)CC1 ZINC001194246458 1282955836 /nfs/dbraw/zinc/95/58/36/1282955836.db2.gz MRPPADRBTYNUIC-IBGZPJMESA-N 2 1 333.520 2.301 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001194284684 1282978241 /nfs/dbraw/zinc/97/82/41/1282978241.db2.gz LNFTZEKDMJMHKD-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001194284684 1282978248 /nfs/dbraw/zinc/97/82/48/1282978248.db2.gz LNFTZEKDMJMHKD-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001194284684 1282978251 /nfs/dbraw/zinc/97/82/51/1282978251.db2.gz LNFTZEKDMJMHKD-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001071059870 1286742946 /nfs/dbraw/zinc/74/29/46/1286742946.db2.gz GGGGBWNHBGXJJF-QRVBRYPASA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754138 1294187708 /nfs/dbraw/zinc/18/77/08/1294187708.db2.gz GLHJLLIAIJUMMB-AKHDSKFASA-N 2 1 349.519 2.031 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754138 1294187711 /nfs/dbraw/zinc/18/77/11/1294187711.db2.gz GLHJLLIAIJUMMB-AKHDSKFASA-N 2 1 349.519 2.031 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754138 1294187713 /nfs/dbraw/zinc/18/77/13/1294187713.db2.gz GLHJLLIAIJUMMB-AKHDSKFASA-N 2 1 349.519 2.031 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001216494561 1297193249 /nfs/dbraw/zinc/19/32/49/1297193249.db2.gz NCNWNNZQHNOKGF-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216981100 1297343901 /nfs/dbraw/zinc/34/39/01/1297343901.db2.gz VIRYNKLUEUJBRD-RHSMWYFYSA-N 2 1 335.879 2.307 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216981100 1297343909 /nfs/dbraw/zinc/34/39/09/1297343909.db2.gz VIRYNKLUEUJBRD-RHSMWYFYSA-N 2 1 335.879 2.307 20 30 EEEDMP C#C[C@](C)([NH3+])C(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001219486677 1298040163 /nfs/dbraw/zinc/04/01/63/1298040163.db2.gz PJBTUJMICIIXPG-QUCCMNQESA-N 2 1 325.456 2.319 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001220008738 1298216912 /nfs/dbraw/zinc/21/69/12/1298216912.db2.gz FMHYWVJBAVKUBG-MSOLQXFVSA-N 2 1 344.459 2.080 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cccc2ccccc21 ZINC001220868724 1298566251 /nfs/dbraw/zinc/56/62/51/1298566251.db2.gz QLBRRJZQRFABAU-ICSRJNTNSA-N 2 1 337.467 2.476 20 30 EEEDMP C=CCOCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340387 1299053647 /nfs/dbraw/zinc/05/36/47/1299053647.db2.gz STFKECSVDCYILK-KRWDZBQOSA-N 2 1 348.491 2.001 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340387 1299053662 /nfs/dbraw/zinc/05/36/62/1299053662.db2.gz STFKECSVDCYILK-KRWDZBQOSA-N 2 1 348.491 2.001 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001221770323 1299072257 /nfs/dbraw/zinc/07/22/57/1299072257.db2.gz ILWQTYCHTQBAEF-ZHALLVOQSA-N 2 1 342.487 2.253 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001221770323 1299072270 /nfs/dbraw/zinc/07/22/70/1299072270.db2.gz ILWQTYCHTQBAEF-ZHALLVOQSA-N 2 1 342.487 2.253 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950416 1299221620 /nfs/dbraw/zinc/22/16/20/1299221620.db2.gz GXQCVNAEYKLXEB-QZTJIDSGSA-N 2 1 339.524 2.068 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001099570549 1299232829 /nfs/dbraw/zinc/23/28/29/1299232829.db2.gz RTJGRZNJLOXHFN-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099570549 1299232842 /nfs/dbraw/zinc/23/28/42/1299232842.db2.gz RTJGRZNJLOXHFN-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099570549 1299232857 /nfs/dbraw/zinc/23/28/57/1299232857.db2.gz RTJGRZNJLOXHFN-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001226332761 1301361782 /nfs/dbraw/zinc/36/17/82/1301361782.db2.gz AGCWJQUSJYHZRC-GVDBMIGSSA-N 2 1 330.476 2.437 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCCCC=C)CC1 ZINC001227849213 1301987063 /nfs/dbraw/zinc/98/70/63/1301987063.db2.gz KXGTWWPBVGSBAP-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCCCC=C)CC1 ZINC001227849213 1301987068 /nfs/dbraw/zinc/98/70/68/1301987068.db2.gz KXGTWWPBVGSBAP-IBGZPJMESA-N 2 1 331.504 2.411 20 30 EEEDMP CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1)[NH+](C)C ZINC001227979901 1302037820 /nfs/dbraw/zinc/03/78/20/1302037820.db2.gz NOSKKZUUWGKWGB-GOSISDBHSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103083646 1302187512 /nfs/dbraw/zinc/18/75/12/1302187512.db2.gz BTPVMRDKIQWIHM-QRVBRYPASA-N 2 1 333.520 2.062 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083646 1302187516 /nfs/dbraw/zinc/18/75/16/1302187516.db2.gz BTPVMRDKIQWIHM-QRVBRYPASA-N 2 1 333.520 2.062 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083646 1302187524 /nfs/dbraw/zinc/18/75/24/1302187524.db2.gz BTPVMRDKIQWIHM-QRVBRYPASA-N 2 1 333.520 2.062 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001228827663 1302469734 /nfs/dbraw/zinc/46/97/34/1302469734.db2.gz XGDWWHBYCWWJAH-AEFFLSMTSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001228827663 1302469742 /nfs/dbraw/zinc/46/97/42/1302469742.db2.gz XGDWWHBYCWWJAH-AEFFLSMTSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229127270 1302630557 /nfs/dbraw/zinc/63/05/57/1302630557.db2.gz UTPUUMRUHNKDTD-QZTJIDSGSA-N 2 1 348.491 2.191 20 30 EEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103583331 1303133636 /nfs/dbraw/zinc/13/36/36/1303133636.db2.gz QIFXIKSNBKLSCK-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103583331 1303133640 /nfs/dbraw/zinc/13/36/40/1303133640.db2.gz QIFXIKSNBKLSCK-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001103732570 1303272824 /nfs/dbraw/zinc/27/28/24/1303272824.db2.gz HFVNOBUPCUZQPQ-RTBURBONSA-N 2 1 333.520 2.350 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230597990 1303303915 /nfs/dbraw/zinc/30/39/15/1303303915.db2.gz BUULNFPRFCLMLI-MOPGFXCFSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+](CCCNC(=O)[C@H](CC)[NH+](CC)CC)Cc1cccnc1 ZINC001230846646 1303498662 /nfs/dbraw/zinc/49/86/62/1303498662.db2.gz SJNANJWGTJFEPM-IBGZPJMESA-N 2 1 344.503 2.144 20 30 EEEDMP C#CC[N@H+](CCCNC(=O)[C@H](CC)[NH+](CC)CC)Cc1cccnc1 ZINC001230846646 1303498665 /nfs/dbraw/zinc/49/86/65/1303498665.db2.gz SJNANJWGTJFEPM-IBGZPJMESA-N 2 1 344.503 2.144 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001115109032 1304691040 /nfs/dbraw/zinc/69/10/40/1304691040.db2.gz ROHIEVBAMFTLEU-XFKSJGNHSA-N 2 1 327.472 2.086 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCCCC=C ZINC001235455979 1305238665 /nfs/dbraw/zinc/23/86/65/1305238665.db2.gz SWYIRVDKBKIIEA-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCCCC=C ZINC001235455979 1305238669 /nfs/dbraw/zinc/23/86/69/1305238669.db2.gz SWYIRVDKBKIIEA-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCCCC=C ZINC001235455979 1305238675 /nfs/dbraw/zinc/23/86/75/1305238675.db2.gz SWYIRVDKBKIIEA-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCCCC=C ZINC001235455979 1305238678 /nfs/dbraw/zinc/23/86/78/1305238678.db2.gz SWYIRVDKBKIIEA-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCCCC1 ZINC001115696045 1305629963 /nfs/dbraw/zinc/62/99/63/1305629963.db2.gz CZOLSUKMFPHTSG-KRWDZBQOSA-N 2 1 342.487 2.186 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120401641 1309511830 /nfs/dbraw/zinc/51/18/30/1309511830.db2.gz KQAKQVDEUPZMGN-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120401641 1309511834 /nfs/dbraw/zinc/51/18/34/1309511834.db2.gz KQAKQVDEUPZMGN-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCn2ccnc2)C1 ZINC001120458254 1309554298 /nfs/dbraw/zinc/55/42/98/1309554298.db2.gz DLKJSLDEFIGLHR-RBUKOAKNSA-N 2 1 342.487 2.390 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246305070 1310277047 /nfs/dbraw/zinc/27/70/47/1310277047.db2.gz OKGRHRLXLKPHFO-HFCFLWKCSA-N 3 1 337.508 2.115 20 30 EEEDMP CCCCCCC[C@@H](CC)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923600 1310467607 /nfs/dbraw/zinc/46/76/07/1310467607.db2.gz CQZVALQXTAKAJW-QGZVFWFLSA-N 3 1 328.545 2.241 20 30 EEEDMP CCCCCCC[C@@H](CC)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923600 1310467638 /nfs/dbraw/zinc/46/76/38/1310467638.db2.gz CQZVALQXTAKAJW-QGZVFWFLSA-N 2 1 328.545 2.241 20 30 EEEDMP C=C(C)COc1ccccc1C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001138665293 1314641839 /nfs/dbraw/zinc/64/18/39/1314641839.db2.gz LUUVBYALOSDKEB-UHFFFAOYSA-N 2 1 345.487 2.237 20 30 EEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001139031974 1314691635 /nfs/dbraw/zinc/69/16/35/1314691635.db2.gz FPZDYYUGUPYOSZ-RBUKOAKNSA-N 2 1 329.488 2.462 20 30 EEEDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2c1cccc2C#N ZINC001139705025 1314762690 /nfs/dbraw/zinc/76/26/90/1314762690.db2.gz JWIWFALXJIQJKM-UHFFFAOYSA-N 2 1 342.443 2.356 20 30 EEEDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2c1cccc2C#N ZINC001139705025 1314762691 /nfs/dbraw/zinc/76/26/91/1314762691.db2.gz JWIWFALXJIQJKM-UHFFFAOYSA-N 2 1 342.443 2.356 20 30 EEEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149841847 1316062087 /nfs/dbraw/zinc/06/20/87/1316062087.db2.gz KYRZLZGQILMOIO-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149841847 1316062092 /nfs/dbraw/zinc/06/20/92/1316062092.db2.gz KYRZLZGQILMOIO-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149841847 1316062097 /nfs/dbraw/zinc/06/20/97/1316062097.db2.gz KYRZLZGQILMOIO-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149847625 1316064219 /nfs/dbraw/zinc/06/42/19/1316064219.db2.gz GCFBHXUZUDCSKN-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149847625 1316064224 /nfs/dbraw/zinc/06/42/24/1316064224.db2.gz GCFBHXUZUDCSKN-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149847625 1316064229 /nfs/dbraw/zinc/06/42/29/1316064229.db2.gz GCFBHXUZUDCSKN-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001151132536 1316456306 /nfs/dbraw/zinc/45/63/06/1316456306.db2.gz RSKOLUHQRWFNGE-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCCCF ZINC001153864555 1316904203 /nfs/dbraw/zinc/90/42/03/1316904203.db2.gz XPWZXJVTYKWZJV-SJORKVTESA-N 2 1 325.472 2.050 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF ZINC001153864555 1316904205 /nfs/dbraw/zinc/90/42/05/1316904205.db2.gz XPWZXJVTYKWZJV-SJORKVTESA-N 2 1 325.472 2.050 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCCCF ZINC001153864555 1316904207 /nfs/dbraw/zinc/90/42/07/1316904207.db2.gz XPWZXJVTYKWZJV-SJORKVTESA-N 2 1 325.472 2.050 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCCCF ZINC001153864555 1316904210 /nfs/dbraw/zinc/90/42/10/1316904210.db2.gz XPWZXJVTYKWZJV-SJORKVTESA-N 2 1 325.472 2.050 20 30 EEEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001252495162 1317617142 /nfs/dbraw/zinc/61/71/42/1317617142.db2.gz KJNHLFWTXRHREB-RTBURBONSA-N 2 1 332.488 2.440 20 30 EEEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001252495162 1317617143 /nfs/dbraw/zinc/61/71/43/1317617143.db2.gz KJNHLFWTXRHREB-RTBURBONSA-N 2 1 332.488 2.440 20 30 EEEDMP C=C[C@](C)(O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252552424 1317634659 /nfs/dbraw/zinc/63/46/59/1317634659.db2.gz JSJCVDSBNIMDAW-MOPGFXCFSA-N 2 1 345.487 2.074 20 30 EEEDMP C=C[C@](C)(O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001252553490 1317635420 /nfs/dbraw/zinc/63/54/20/1317635420.db2.gz YFERKKFCDKKLKV-ACRUOGEOSA-N 2 1 348.531 2.384 20 30 EEEDMP C=C[C@](C)(O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001252553490 1317635426 /nfs/dbraw/zinc/63/54/26/1317635426.db2.gz YFERKKFCDKKLKV-ACRUOGEOSA-N 2 1 348.531 2.384 20 30 EEEDMP C=C[C@](C)(O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001252553490 1317635433 /nfs/dbraw/zinc/63/54/33/1317635433.db2.gz YFERKKFCDKKLKV-ACRUOGEOSA-N 2 1 348.531 2.384 20 30 EEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001158474240 1319259147 /nfs/dbraw/zinc/25/91/47/1319259147.db2.gz URQSYGJMLCXNPR-APWZRJJASA-N 2 1 337.483 2.145 20 30 EEEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001158474240 1319259154 /nfs/dbraw/zinc/25/91/54/1319259154.db2.gz URQSYGJMLCXNPR-APWZRJJASA-N 2 1 337.483 2.145 20 30 EEEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001158474240 1319259161 /nfs/dbraw/zinc/25/91/61/1319259161.db2.gz URQSYGJMLCXNPR-APWZRJJASA-N 2 1 337.483 2.145 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CCC ZINC001162987434 1321006104 /nfs/dbraw/zinc/00/61/04/1321006104.db2.gz RMXDJTMZEKZOSO-UHFFFAOYSA-N 2 1 329.488 2.012 20 30 EEEDMP C[N@@H+]1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)[C@@H](c2ccccc2)C1 ZINC001163669446 1321187619 /nfs/dbraw/zinc/18/76/19/1321187619.db2.gz QVYOLGVZCQYPKR-HXUWFJFHSA-N 2 1 347.466 2.482 20 30 EEEDMP C[N@H+]1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)[C@@H](c2ccccc2)C1 ZINC001163669446 1321187621 /nfs/dbraw/zinc/18/76/21/1321187621.db2.gz QVYOLGVZCQYPKR-HXUWFJFHSA-N 2 1 347.466 2.482 20 30 EEEDMP C[NH+](C)C1(CNc2cnc(C#N)c(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC001164212804 1321319783 /nfs/dbraw/zinc/31/97/83/1321319783.db2.gz DMYNOPCQKGUPDO-UHFFFAOYSA-N 2 1 341.381 2.410 20 30 EEEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206548001 1323530086 /nfs/dbraw/zinc/53/00/86/1323530086.db2.gz MIKXEEMQEWDUHY-RTBURBONSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001208330819 1324429674 /nfs/dbraw/zinc/42/96/74/1324429674.db2.gz GLHIZSFDYXYZDN-IEBWSBKVSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1OC ZINC001276577281 1324612112 /nfs/dbraw/zinc/61/21/12/1324612112.db2.gz XFXNPRKFJXFVSI-HDICACEKSA-N 2 1 328.456 2.481 20 30 EEEDMP C#CCOc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1OC ZINC001276577281 1324612117 /nfs/dbraw/zinc/61/21/17/1324612117.db2.gz XFXNPRKFJXFVSI-HDICACEKSA-N 2 1 328.456 2.481 20 30 EEEDMP C#CCOc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1OC ZINC001276577281 1324612121 /nfs/dbraw/zinc/61/21/21/1324612121.db2.gz XFXNPRKFJXFVSI-HDICACEKSA-N 2 1 328.456 2.481 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001209631611 1324994044 /nfs/dbraw/zinc/99/40/44/1324994044.db2.gz FSPBPEGMDHTBFA-UYAOXDASSA-N 2 1 339.483 2.103 20 30 EEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001209650674 1325000103 /nfs/dbraw/zinc/00/01/03/1325000103.db2.gz JYANHUGJTJLOJW-IBGZPJMESA-N 2 1 329.488 2.318 20 30 EEEDMP CC(C)(C)n1ncc(C#N)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210261917 1325218026 /nfs/dbraw/zinc/21/80/26/1325218026.db2.gz JXYFPZXNDDIBRH-UHFFFAOYSA-N 2 1 325.420 2.058 20 30 EEEDMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001316620547 1325728851 /nfs/dbraw/zinc/72/88/51/1325728851.db2.gz FKOCXPUPVNZNSG-ZACQAIPSSA-N 2 1 330.476 2.205 20 30 EEEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001335385396 1336369381 /nfs/dbraw/zinc/36/93/81/1336369381.db2.gz ZJSWJVHZLSFMCW-PKOBYXMFSA-N 2 1 345.487 2.346 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC001336782250 1336594221 /nfs/dbraw/zinc/59/42/21/1336594221.db2.gz ZMQWSQGCOUCWIX-UHFFFAOYSA-N 2 1 342.487 2.159 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCCc2cc(-c3nn[nH]n3)ccc21 ZINC001588349708 1348894452 /nfs/dbraw/zinc/89/44/52/1348894452.db2.gz WDVJEKDJDIOTAD-SFHVURJKSA-N 2 1 338.459 2.179 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCCc2cc(-c3nn[nH]n3)ccc21 ZINC001588349708 1348894455 /nfs/dbraw/zinc/89/44/55/1348894455.db2.gz WDVJEKDJDIOTAD-SFHVURJKSA-N 2 1 338.459 2.179 20 30 EEEDMP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccccc3C#N)C[C@]2(C)C1 ZINC000931307800 1369888020 /nfs/dbraw/zinc/88/80/20/1369888020.db2.gz OJLMXLIWJBZDOK-KDURUIRLSA-N 2 1 326.444 2.160 20 30 EEEDMP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccccc3C#N)C[C@]2(C)C1 ZINC000931307800 1369888024 /nfs/dbraw/zinc/88/80/24/1369888024.db2.gz OJLMXLIWJBZDOK-KDURUIRLSA-N 2 1 326.444 2.160 20 30 EEEDMP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)Nc3ccccc3C#N)C[C@]2(C)C1 ZINC000931307800 1369888029 /nfs/dbraw/zinc/88/80/29/1369888029.db2.gz OJLMXLIWJBZDOK-KDURUIRLSA-N 2 1 326.444 2.160 20 30 EEEDMP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)Nc3ccccc3C#N)C[C@]2(C)C1 ZINC000931307800 1369888034 /nfs/dbraw/zinc/88/80/34/1369888034.db2.gz OJLMXLIWJBZDOK-KDURUIRLSA-N 2 1 326.444 2.160 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001369843839 1374677387 /nfs/dbraw/zinc/67/73/87/1374677387.db2.gz DZXKRDFHCZJZOD-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001369843839 1374677391 /nfs/dbraw/zinc/67/73/91/1374677391.db2.gz DZXKRDFHCZJZOD-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001369843839 1374677395 /nfs/dbraw/zinc/67/73/95/1374677395.db2.gz DZXKRDFHCZJZOD-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001369843839 1374677401 /nfs/dbraw/zinc/67/74/01/1374677401.db2.gz DZXKRDFHCZJZOD-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001376327566 1378465975 /nfs/dbraw/zinc/46/59/75/1378465975.db2.gz BAUUKYLLYRKICP-ZDUSSCGKSA-N 2 1 346.313 2.063 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1ccc(F)c(C#N)c1 ZINC001377339269 1379146608 /nfs/dbraw/zinc/14/66/08/1379146608.db2.gz KNNZXAHCPJWMSI-GOSISDBHSA-N 2 1 348.466 2.222 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001380176458 1381092309 /nfs/dbraw/zinc/09/23/09/1381092309.db2.gz LUIKDUFKBOEHFG-UHFFFAOYSA-N 2 1 342.487 2.369 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1([NH+](C)C)CCC1 ZINC001393622667 1390499064 /nfs/dbraw/zinc/49/90/64/1390499064.db2.gz MCYDNLHZFHOCPB-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001397700122 1391436378 /nfs/dbraw/zinc/43/63/78/1391436378.db2.gz QWLNAJGRORIQRZ-JCNLHEQBSA-N 2 1 346.450 2.024 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCO1 ZINC001755010488 1407031497 /nfs/dbraw/zinc/03/14/97/1407031497.db2.gz FJAMHMNGIOJFDT-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccccc1C#N ZINC001422255162 1399841377 /nfs/dbraw/zinc/84/13/77/1399841377.db2.gz ZRAUATDDXAKTCA-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccccc1C#N ZINC001422255162 1399841387 /nfs/dbraw/zinc/84/13/87/1399841387.db2.gz ZRAUATDDXAKTCA-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1C#N ZINC001422255162 1399841397 /nfs/dbraw/zinc/84/13/97/1399841397.db2.gz ZRAUATDDXAKTCA-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1C#N ZINC001422255162 1399841408 /nfs/dbraw/zinc/84/14/08/1399841408.db2.gz ZRAUATDDXAKTCA-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001425969653 1401823938 /nfs/dbraw/zinc/82/39/38/1401823938.db2.gz PVAUIQOSENRTDE-ZIAGYGMSSA-N 2 1 346.313 2.111 20 30 EEEDMP CCCC[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001755361093 1407359597 /nfs/dbraw/zinc/35/95/97/1407359597.db2.gz LYLBPUNFMNLQBI-WOJBJXKFSA-N 2 1 341.499 2.254 20 30 EEEDMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001755383748 1407391512 /nfs/dbraw/zinc/39/15/12/1407391512.db2.gz XWVHVJIIJPFRPB-HOCLYGCPSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1CCCC1)C(C)C ZINC001755551345 1407624574 /nfs/dbraw/zinc/62/45/74/1407624574.db2.gz XXEOBQSESUDEIV-MOPGFXCFSA-N 2 1 333.520 2.395 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1CCCC1)C(C)C ZINC001755551345 1407624579 /nfs/dbraw/zinc/62/45/79/1407624579.db2.gz XXEOBQSESUDEIV-MOPGFXCFSA-N 2 1 333.520 2.395 20 30 EEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001121866897 1410248370 /nfs/dbraw/zinc/24/83/70/1410248370.db2.gz IGXJQAICBIZEGQ-UHFFFAOYSA-N 2 1 328.460 2.047 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536731 1411034274 /nfs/dbraw/zinc/03/42/74/1411034274.db2.gz FWJNWHSUPCQMFT-MSOLQXFVSA-N 2 1 331.504 2.293 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001087829470 782324144 /nfs/dbraw/zinc/32/41/44/782324144.db2.gz DYHFVTCTKHXNHD-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087829470 782324154 /nfs/dbraw/zinc/32/41/54/782324154.db2.gz DYHFVTCTKHXNHD-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC001083215035 759539873 /nfs/dbraw/zinc/53/98/73/759539873.db2.gz FCTHVPKFOPTTOJ-GBESFXJTSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440064 761374798 /nfs/dbraw/zinc/37/47/98/761374798.db2.gz KCZZTQZLXLIQOD-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440064 761374807 /nfs/dbraw/zinc/37/48/07/761374807.db2.gz KCZZTQZLXLIQOD-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440064 761374815 /nfs/dbraw/zinc/37/48/15/761374815.db2.gz KCZZTQZLXLIQOD-MJGOQNOKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087306402 761554365 /nfs/dbraw/zinc/55/43/65/761554365.db2.gz IMWLSVGQZWLPHR-RLLQIKCJSA-N 2 1 345.531 2.347 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980179959 774012371 /nfs/dbraw/zinc/01/23/71/774012371.db2.gz UFMABIGHKCYHCL-YESZJQIVSA-N 2 1 339.911 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779652 783196934 /nfs/dbraw/zinc/19/69/34/783196934.db2.gz SFXFERCQZMHVJX-MXASKKJJSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779652 783196937 /nfs/dbraw/zinc/19/69/37/783196937.db2.gz SFXFERCQZMHVJX-MXASKKJJSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779652 783196941 /nfs/dbraw/zinc/19/69/41/783196941.db2.gz SFXFERCQZMHVJX-MXASKKJJSA-N 2 1 339.911 2.107 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001089828281 777216244 /nfs/dbraw/zinc/21/62/44/777216244.db2.gz RXKBCCUDPNNLJT-QLIIJSOBSA-N 2 1 348.450 2.058 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028094352 777424417 /nfs/dbraw/zinc/42/44/17/777424417.db2.gz XYCFBVJLGWTSHB-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094352 777424421 /nfs/dbraw/zinc/42/44/21/777424421.db2.gz XYCFBVJLGWTSHB-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094352 777424427 /nfs/dbraw/zinc/42/44/27/777424427.db2.gz XYCFBVJLGWTSHB-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000981628976 777833995 /nfs/dbraw/zinc/83/39/95/777833995.db2.gz AUIMXEBPOSXEIW-UHFFFAOYSA-N 2 1 330.476 2.262 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000981628976 777834002 /nfs/dbraw/zinc/83/40/02/777834002.db2.gz AUIMXEBPOSXEIW-UHFFFAOYSA-N 2 1 330.476 2.262 20 30 EEEDMP C=C(Cl)CN1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000981804211 778232139 /nfs/dbraw/zinc/23/21/39/778232139.db2.gz KKISDHIUKGKWHX-MRXNPFEDSA-N 2 1 327.900 2.395 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CCO2 ZINC000949108824 778507272 /nfs/dbraw/zinc/50/72/72/778507272.db2.gz YFTKKOZHYKUYIO-SFHVURJKSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000982109982 779118705 /nfs/dbraw/zinc/11/87/05/779118705.db2.gz DSHTYRMKHLVCKA-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CC2CCC2)C3)CC1 ZINC000982162511 779182459 /nfs/dbraw/zinc/18/24/59/779182459.db2.gz RSICGDSQDSRXBH-UHFFFAOYSA-N 2 1 343.515 2.056 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947359688 779374289 /nfs/dbraw/zinc/37/42/89/779374289.db2.gz AZRHMFUZAQJHIJ-ZBFHGGJFSA-N 2 1 333.501 2.416 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035215499 784140250 /nfs/dbraw/zinc/14/02/50/784140250.db2.gz GSEVSTSLMZESKK-IBGZPJMESA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215499 784140257 /nfs/dbraw/zinc/14/02/57/784140257.db2.gz GSEVSTSLMZESKK-IBGZPJMESA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215499 784140262 /nfs/dbraw/zinc/14/02/62/784140262.db2.gz GSEVSTSLMZESKK-IBGZPJMESA-N 2 1 345.531 2.446 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135858092 784641196 /nfs/dbraw/zinc/64/11/96/784641196.db2.gz SJTZAOIZMOOYRQ-QZTJIDSGSA-N 2 1 329.488 2.253 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135974410 784919665 /nfs/dbraw/zinc/91/96/65/784919665.db2.gz ORZXYMZITPZJOD-ZIAGYGMSSA-N 2 1 348.329 2.500 20 30 EEEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)CC2 ZINC001035794519 785143980 /nfs/dbraw/zinc/14/39/80/785143980.db2.gz FALCWXLWKWOIIV-HXUWFJFHSA-N 2 1 349.494 2.147 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995802901 785691740 /nfs/dbraw/zinc/69/17/40/785691740.db2.gz PNEYACHHADDRNB-CABCVRRESA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1(C)C ZINC000996462161 786406220 /nfs/dbraw/zinc/40/62/20/786406220.db2.gz NMSCGVVHLUBUNM-QGZVFWFLSA-N 2 1 339.443 2.284 20 30 EEEDMP CCC[N@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]CCCOCC)C1 ZINC000912499118 788210952 /nfs/dbraw/zinc/21/09/52/788210952.db2.gz LCRMRTMCTOKQLN-MRXNPFEDSA-N 2 1 326.529 2.479 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991501994 789143859 /nfs/dbraw/zinc/14/38/59/789143859.db2.gz JOPAFVDMNHBYPK-ICSRJNTNSA-N 2 1 336.439 2.393 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000923354309 789432935 /nfs/dbraw/zinc/43/29/35/789432935.db2.gz RXNFOHZKLYBVDW-GOSISDBHSA-N 2 1 331.460 2.139 20 30 EEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997299150 789592718 /nfs/dbraw/zinc/59/27/18/789592718.db2.gz XMOGPEVPTRNOEU-PBHICJAKSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001091198758 790103006 /nfs/dbraw/zinc/10/30/06/790103006.db2.gz SBLGSIAPNXDUFZ-PCKAHOCUSA-N 2 1 327.900 2.345 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC000998927596 793570918 /nfs/dbraw/zinc/57/09/18/793570918.db2.gz GPVBAXIRUUPOIP-ACBHZAAOSA-N 2 1 343.515 2.243 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC000998927596 793570924 /nfs/dbraw/zinc/57/09/24/793570924.db2.gz GPVBAXIRUUPOIP-ACBHZAAOSA-N 2 1 343.515 2.243 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4ccnc4)cn3)CCC[C@H]12 ZINC000992393110 793937469 /nfs/dbraw/zinc/93/74/69/793937469.db2.gz CDPPOPSSEIBZOS-AZUAARDMSA-N 2 1 349.438 2.017 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC2CCC2)CC3)CC1 ZINC000992512339 794463843 /nfs/dbraw/zinc/46/38/43/794463843.db2.gz RXXFRXCQTZGPKI-CTNGQTDRSA-N 2 1 343.515 2.245 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@@]3(NC(=O)Cn4ccnc4)CCC[C@@H]23)cc1 ZINC000992528048 794512192 /nfs/dbraw/zinc/51/21/92/794512192.db2.gz GEFGFEKXDQQWDR-QUCCMNQESA-N 2 1 349.438 2.068 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000999508371 794560457 /nfs/dbraw/zinc/56/04/57/794560457.db2.gz HMNTTWOVTRDQFL-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999573761 794671870 /nfs/dbraw/zinc/67/18/70/794671870.db2.gz JTYARYXRJVOSOJ-HZPDHXFCSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731787 794678446 /nfs/dbraw/zinc/67/84/46/794678446.db2.gz YVPBIVMQPWRRBF-DOTOQJQBSA-N 2 1 345.512 2.369 20 30 EEEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001172312667 796952915 /nfs/dbraw/zinc/95/29/15/796952915.db2.gz IDDQAFHZCJJGHF-SFHVURJKSA-N 2 1 340.515 2.449 20 30 EEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001833928 797264387 /nfs/dbraw/zinc/26/43/87/797264387.db2.gz MTKWRGPKEFZRRV-KRWDZBQOSA-N 2 1 330.476 2.158 20 30 EEEDMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082740715 797674923 /nfs/dbraw/zinc/67/49/23/797674923.db2.gz DCSHFXVRUVLQFO-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)[C@H]2C)CC1 ZINC000994498551 798095621 /nfs/dbraw/zinc/09/56/21/798095621.db2.gz NBMKCTBVRLTGCC-PXNSSMCTSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998026 798600439 /nfs/dbraw/zinc/60/04/39/798600439.db2.gz OLFUUGJWFNMDMN-NZSAHSFTSA-N 2 1 331.504 2.360 20 30 EEEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001002823925 798664974 /nfs/dbraw/zinc/66/49/74/798664974.db2.gz OOQICPRKUDTTNY-KRWDZBQOSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001177416236 798933887 /nfs/dbraw/zinc/93/38/87/798933887.db2.gz WZUMXGYMFPIFTJ-IEBWSBKVSA-N 2 1 333.520 2.206 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598101 800866806 /nfs/dbraw/zinc/86/68/06/800866806.db2.gz MXGWXJNXVGJUQW-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598101 800866813 /nfs/dbraw/zinc/86/68/13/800866813.db2.gz MXGWXJNXVGJUQW-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598101 800866819 /nfs/dbraw/zinc/86/68/19/800866819.db2.gz MXGWXJNXVGJUQW-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586766 801484644 /nfs/dbraw/zinc/48/46/44/801484644.db2.gz VTPRMCOFDFIMED-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586766 801484648 /nfs/dbraw/zinc/48/46/48/801484648.db2.gz VTPRMCOFDFIMED-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586766 801484652 /nfs/dbraw/zinc/48/46/52/801484652.db2.gz VTPRMCOFDFIMED-OTWHNJEPSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184578222 802080228 /nfs/dbraw/zinc/08/02/28/802080228.db2.gz SJHYEZJNLFAANG-UKRRQHHQSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004457413 802118285 /nfs/dbraw/zinc/11/82/85/802118285.db2.gz KQFSXIIQPIRTIV-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001184700864 802135289 /nfs/dbraw/zinc/13/52/89/802135289.db2.gz HBWCUIOSSQOFMZ-HZPDHXFCSA-N 2 1 348.491 2.390 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086109921 802199832 /nfs/dbraw/zinc/19/98/32/802199832.db2.gz LPAWYDDSFBXONH-OTWHNJEPSA-N 2 1 329.488 2.069 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086109921 802199836 /nfs/dbraw/zinc/19/98/36/802199836.db2.gz LPAWYDDSFBXONH-OTWHNJEPSA-N 2 1 329.488 2.069 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC3CCC3)C[C@H]2CC1 ZINC000946628028 802367831 /nfs/dbraw/zinc/36/78/31/802367831.db2.gz HVRAWECNSHRSEY-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC3CCC3)C[C@H]2CC1 ZINC000946628028 802367839 /nfs/dbraw/zinc/36/78/39/802367839.db2.gz HVRAWECNSHRSEY-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1 ZINC000946628028 802367847 /nfs/dbraw/zinc/36/78/47/802367847.db2.gz HVRAWECNSHRSEY-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1 ZINC000946628028 802367854 /nfs/dbraw/zinc/36/78/54/802367854.db2.gz HVRAWECNSHRSEY-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946678072 802802784 /nfs/dbraw/zinc/80/27/84/802802784.db2.gz TUSREICBWKBKMN-HDICACEKSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946678072 802802789 /nfs/dbraw/zinc/80/27/89/802802789.db2.gz TUSREICBWKBKMN-HDICACEKSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086389595 802876832 /nfs/dbraw/zinc/87/68/32/802876832.db2.gz SNZXIQPJFGXAOI-ZULIPRJHSA-N 2 1 339.483 2.330 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086389595 802876837 /nfs/dbraw/zinc/87/68/37/802876837.db2.gz SNZXIQPJFGXAOI-ZULIPRJHSA-N 2 1 339.483 2.330 20 30 EEEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001086579223 808153349 /nfs/dbraw/zinc/15/33/49/808153349.db2.gz RMXPRKCUECBOFO-OTWHNJEPSA-N 2 1 327.472 2.241 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001086579223 808153355 /nfs/dbraw/zinc/15/33/55/808153355.db2.gz RMXPRKCUECBOFO-OTWHNJEPSA-N 2 1 327.472 2.241 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001086579223 808153358 /nfs/dbraw/zinc/15/33/58/808153358.db2.gz RMXPRKCUECBOFO-OTWHNJEPSA-N 2 1 327.472 2.241 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609401 810020540 /nfs/dbraw/zinc/02/05/40/810020540.db2.gz DPCOMCHNKOVOKC-YZGWKJHDSA-N 2 1 339.483 2.078 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609401 810020542 /nfs/dbraw/zinc/02/05/42/810020542.db2.gz DPCOMCHNKOVOKC-YZGWKJHDSA-N 2 1 339.483 2.078 20 30 EEEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001086609401 810020544 /nfs/dbraw/zinc/02/05/44/810020544.db2.gz DPCOMCHNKOVOKC-YZGWKJHDSA-N 2 1 339.483 2.078 20 30 EEEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001086609401 810020546 /nfs/dbraw/zinc/02/05/46/810020546.db2.gz DPCOMCHNKOVOKC-YZGWKJHDSA-N 2 1 339.483 2.078 20 30 EEEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001086619898 810645920 /nfs/dbraw/zinc/64/59/20/810645920.db2.gz MXWUUIVURXNMMC-YTQUADARSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001086619898 810645925 /nfs/dbraw/zinc/64/59/25/810645925.db2.gz MXWUUIVURXNMMC-YTQUADARSA-N 2 1 327.472 2.098 20 30 EEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001086619898 810645932 /nfs/dbraw/zinc/64/59/32/810645932.db2.gz MXWUUIVURXNMMC-YTQUADARSA-N 2 1 327.472 2.098 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001129771118 810995051 /nfs/dbraw/zinc/99/50/51/810995051.db2.gz RMQGRQFDTONTLV-MSOLQXFVSA-N 2 1 331.435 2.080 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001129771118 810995059 /nfs/dbraw/zinc/99/50/59/810995059.db2.gz RMQGRQFDTONTLV-MSOLQXFVSA-N 2 1 331.435 2.080 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415343 811603359 /nfs/dbraw/zinc/60/33/59/811603359.db2.gz FSLCKVMDDJRQNR-CVEARBPZSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001130453250 811690370 /nfs/dbraw/zinc/69/03/70/811690370.db2.gz VSPNLQOUAYKAPZ-MRXNPFEDSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130453250 811690377 /nfs/dbraw/zinc/69/03/77/811690377.db2.gz VSPNLQOUAYKAPZ-MRXNPFEDSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130453250 811690384 /nfs/dbraw/zinc/69/03/84/811690384.db2.gz VSPNLQOUAYKAPZ-MRXNPFEDSA-N 2 1 347.507 2.122 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001436923460 1088584028 /nfs/dbraw/zinc/58/40/28/1088584028.db2.gz DRTICSYAIGULLP-IYARVYRRSA-N 2 1 328.460 2.027 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H]1C ZINC001448983534 1093987367 /nfs/dbraw/zinc/98/73/67/1093987367.db2.gz RSULWASLBBCYKZ-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001496370342 1100963583 /nfs/dbraw/zinc/96/35/83/1100963583.db2.gz UGQSBGLHTUAWHM-QFBILLFUSA-N 2 1 342.487 2.227 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001447341079 1102481270 /nfs/dbraw/zinc/48/12/70/1102481270.db2.gz DVWFXCDPSYEYJU-VQIMIIECSA-N 2 1 342.487 2.179 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001447341079 1102481276 /nfs/dbraw/zinc/48/12/76/1102481276.db2.gz DVWFXCDPSYEYJU-VQIMIIECSA-N 2 1 342.487 2.179 20 30 EEEDMP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)Cc1cccc(C#N)c1 ZINC001493331812 1107943682 /nfs/dbraw/zinc/94/36/82/1107943682.db2.gz KEVSQAAXYRGJOR-UHFFFAOYSA-N 2 1 339.443 2.092 20 30 EEEDMP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)Cc1cccc(C#N)c1 ZINC001493331812 1107943692 /nfs/dbraw/zinc/94/36/92/1107943692.db2.gz KEVSQAAXYRGJOR-UHFFFAOYSA-N 2 1 339.443 2.092 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCC2)C1 ZINC001502000338 1113553796 /nfs/dbraw/zinc/55/37/96/1113553796.db2.gz ZYCALJZRUXZZLZ-INIZCTEOSA-N 2 1 340.471 2.029 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001505847965 1114230844 /nfs/dbraw/zinc/23/08/44/1114230844.db2.gz HQZOLAWJYQLYRX-CQSZACIVSA-N 2 1 348.516 2.146 20 30 EEEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001520497119 1119170061 /nfs/dbraw/zinc/17/00/61/1119170061.db2.gz NSRGBSWHCXAVPC-IRXDYDNUSA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001520497119 1119170063 /nfs/dbraw/zinc/17/00/63/1119170063.db2.gz NSRGBSWHCXAVPC-IRXDYDNUSA-N 2 1 346.523 2.399 20 30 EEEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(OC)c(C#N)c1 ZINC000344131023 161200998 /nfs/dbraw/zinc/20/09/98/161200998.db2.gz NDIJIMMHYMILGS-UHFFFAOYSA-N 2 1 344.503 2.416 20 30 EEEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000366862550 165873317 /nfs/dbraw/zinc/87/33/17/165873317.db2.gz BUESTBQIDBBNPV-UHFFFAOYSA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000552113638 468308829 /nfs/dbraw/zinc/30/88/29/468308829.db2.gz BUWLHRFVEWVAKR-UHFFFAOYSA-N 2 1 342.487 2.324 20 30 EEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)Nc1ccccc1OC(F)(F)F ZINC000160591206 463352195 /nfs/dbraw/zinc/35/21/95/463352195.db2.gz MGEQOQOHCHUZSP-UHFFFAOYSA-N 2 1 346.353 2.034 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccn3)c2)CCO1 ZINC000170910735 463739316 /nfs/dbraw/zinc/73/93/16/463739316.db2.gz QFPPFRZEZCZDIC-OAHLLOKOSA-N 2 1 339.443 2.229 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccn3)c2)CCO1 ZINC000170910735 463739319 /nfs/dbraw/zinc/73/93/19/463739319.db2.gz QFPPFRZEZCZDIC-OAHLLOKOSA-N 2 1 339.443 2.229 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1cc(Cl)cn1C ZINC000261673648 463823234 /nfs/dbraw/zinc/82/32/34/463823234.db2.gz CIAJJLYSZIGRSM-ZDUSSCGKSA-N 2 1 325.888 2.028 20 30 EEEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330197717 465566051 /nfs/dbraw/zinc/56/60/51/465566051.db2.gz SEOWZLRGMDXIFV-GVDBMIGSSA-N 2 1 331.464 2.197 20 30 EEEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330197717 465566054 /nfs/dbraw/zinc/56/60/54/465566054.db2.gz SEOWZLRGMDXIFV-GVDBMIGSSA-N 2 1 331.464 2.197 20 30 EEEDMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)NC1(C#N)CCCCC1 ZINC000333532987 466622808 /nfs/dbraw/zinc/62/28/08/466622808.db2.gz MMZBZHLRLQCRQB-HNNXBMFYSA-N 2 1 332.492 2.324 20 30 EEEDMP C=CCn1cccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000488985620 468114305 /nfs/dbraw/zinc/11/43/05/468114305.db2.gz RIRWSSCPJHIHQL-QGZVFWFLSA-N 2 1 332.492 2.162 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(O)CCC(C(=O)OCC)CC2)CC1 ZINC000519597502 468179241 /nfs/dbraw/zinc/17/92/41/468179241.db2.gz OPSDDYRYOYJBAJ-UHFFFAOYSA-N 2 1 338.492 2.101 20 30 EEEDMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000595484279 468872062 /nfs/dbraw/zinc/87/20/62/468872062.db2.gz PGPLGNZNKKJBAC-INIZCTEOSA-N 2 1 349.450 2.242 20 30 EEEDMP C[C@@H]1COCC[N@H+]1C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000562478101 468965284 /nfs/dbraw/zinc/96/52/84/468965284.db2.gz VHVUBVFWZAJYIM-MRXNPFEDSA-N 2 1 329.444 2.122 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000644531769 470974967 /nfs/dbraw/zinc/97/49/67/470974967.db2.gz IQQKJPNTEOHUTG-LPHOPBHVSA-N 2 1 330.472 2.229 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004031 527626635 /nfs/dbraw/zinc/62/66/35/527626635.db2.gz GCEXXUHHCQUAOM-IAGOWNOFSA-N 2 1 330.476 2.264 20 30 EEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004031 527626639 /nfs/dbraw/zinc/62/66/39/527626639.db2.gz GCEXXUHHCQUAOM-IAGOWNOFSA-N 2 1 330.476 2.264 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1c(C)nc2ccccc21 ZINC000104156033 529072410 /nfs/dbraw/zinc/07/24/10/529072410.db2.gz PSVOFBANFBRRNU-MRXNPFEDSA-N 2 1 342.491 2.123 20 30 EEEDMP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764468423 577736817 /nfs/dbraw/zinc/73/68/17/577736817.db2.gz JBSHIWHPESFTAT-XLIONFOSSA-N 2 1 342.487 2.047 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764468423 577736818 /nfs/dbraw/zinc/73/68/18/577736818.db2.gz JBSHIWHPESFTAT-XLIONFOSSA-N 2 1 342.487 2.047 20 30 EEEDMP C[NH+]1CCN(c2ncc(C=[NH+][N-]c3ccccc3Cl)cn2)CC1 ZINC000755473683 577825589 /nfs/dbraw/zinc/82/55/89/577825589.db2.gz YDHWPVILIDZQIS-UHFFFAOYSA-N 2 1 330.823 2.328 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CC2)CC1 ZINC000969156222 674642762 /nfs/dbraw/zinc/64/27/62/674642762.db2.gz MXQRIPMNZJCTJS-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180135 675923155 /nfs/dbraw/zinc/92/31/55/675923155.db2.gz LWXCKESWQBYBFW-MOPGFXCFSA-N 2 1 333.520 2.156 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000970799705 676157422 /nfs/dbraw/zinc/15/74/22/676157422.db2.gz HDDZPMGXTUTZDG-PBHICJAKSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cnccc2OC)C1 ZINC001021610627 676264839 /nfs/dbraw/zinc/26/48/39/676264839.db2.gz JWGJOBHCXIIBEO-RDJZCZTQSA-N 2 1 329.444 2.132 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971800728 676811544 /nfs/dbraw/zinc/81/15/44/676811544.db2.gz LYBQAWXIWVVXFE-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971800728 676811546 /nfs/dbraw/zinc/81/15/46/676811546.db2.gz LYBQAWXIWVVXFE-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971800728 676811549 /nfs/dbraw/zinc/81/15/49/676811549.db2.gz LYBQAWXIWVVXFE-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473619 676879330 /nfs/dbraw/zinc/87/93/30/676879330.db2.gz OAEGQJBTFNXCOO-HUUCEWRRSA-N 2 1 334.464 2.285 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473619 676879332 /nfs/dbraw/zinc/87/93/32/676879332.db2.gz OAEGQJBTFNXCOO-HUUCEWRRSA-N 2 1 334.464 2.285 20 30 EEEDMP N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001022691885 678237738 /nfs/dbraw/zinc/23/77/38/678237738.db2.gz BHWIQYKRUAQHOB-BBWFWOEESA-N 2 1 349.438 2.138 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972155118 678326051 /nfs/dbraw/zinc/32/60/51/678326051.db2.gz URODVLQOEXNJEJ-JKSUJKDBSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000972155118 678326055 /nfs/dbraw/zinc/32/60/55/678326055.db2.gz URODVLQOEXNJEJ-JKSUJKDBSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC000972155118 678326056 /nfs/dbraw/zinc/32/60/56/678326056.db2.gz URODVLQOEXNJEJ-JKSUJKDBSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC000972155118 678326060 /nfs/dbraw/zinc/32/60/60/678326060.db2.gz URODVLQOEXNJEJ-JKSUJKDBSA-N 2 1 327.900 2.394 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC000972354191 678593157 /nfs/dbraw/zinc/59/31/57/678593157.db2.gz KATPSAMDRLWKOT-AEFFLSMTSA-N 2 1 346.450 2.070 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC000972354191 678593159 /nfs/dbraw/zinc/59/31/59/678593159.db2.gz KATPSAMDRLWKOT-AEFFLSMTSA-N 2 1 346.450 2.070 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000972400829 678685626 /nfs/dbraw/zinc/68/56/26/678685626.db2.gz BLIOREUNQPDDJN-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972400829 678685629 /nfs/dbraw/zinc/68/56/29/678685629.db2.gz BLIOREUNQPDDJN-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972400829 678685633 /nfs/dbraw/zinc/68/56/33/678685633.db2.gz BLIOREUNQPDDJN-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023397134 679289641 /nfs/dbraw/zinc/28/96/41/679289641.db2.gz XNURXEGAESMTEX-OAHLLOKOSA-N 2 1 333.501 2.275 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587994 679399883 /nfs/dbraw/zinc/39/98/83/679399883.db2.gz PJBMPMPWJVDZSO-IAGOWNOFSA-N 2 1 330.476 2.158 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587994 679399885 /nfs/dbraw/zinc/39/98/85/679399885.db2.gz PJBMPMPWJVDZSO-IAGOWNOFSA-N 2 1 330.476 2.158 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479951 679962943 /nfs/dbraw/zinc/96/29/43/679962943.db2.gz VEJDERXIJPGGRP-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712433 681373373 /nfs/dbraw/zinc/37/33/73/681373373.db2.gz XNRNDRIMBKWTLT-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754991 682101558 /nfs/dbraw/zinc/10/15/58/682101558.db2.gz DPAGOBKOAXHNEK-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028754991 682101561 /nfs/dbraw/zinc/10/15/61/682101561.db2.gz DPAGOBKOAXHNEK-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028754991 682101567 /nfs/dbraw/zinc/10/15/67/682101567.db2.gz DPAGOBKOAXHNEK-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025240063 682295728 /nfs/dbraw/zinc/29/57/28/682295728.db2.gz KWQUUIVGMMQSMP-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025240063 682295733 /nfs/dbraw/zinc/29/57/33/682295733.db2.gz KWQUUIVGMMQSMP-MOPGFXCFSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586107 683044427 /nfs/dbraw/zinc/04/44/27/683044427.db2.gz WECKVEHDDLOKNA-HKUYNNGSSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978625413 693757385 /nfs/dbraw/zinc/75/73/85/693757385.db2.gz BUUWWSCSQSZURL-AKHDSKFASA-N 2 1 331.504 2.264 20 30 EEEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978625413 693757390 /nfs/dbraw/zinc/75/73/90/693757390.db2.gz BUUWWSCSQSZURL-AKHDSKFASA-N 2 1 331.504 2.264 20 30 EEEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978625413 693757394 /nfs/dbraw/zinc/75/73/94/693757394.db2.gz BUUWWSCSQSZURL-AKHDSKFASA-N 2 1 331.504 2.264 20 30 EEEDMP C[C@H](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[NH+](C)C ZINC000895291718 684451344 /nfs/dbraw/zinc/45/13/44/684451344.db2.gz BVORRDGWAGZAIH-OAHLLOKOSA-N 2 1 326.448 2.289 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]12 ZINC001026401046 684568133 /nfs/dbraw/zinc/56/81/33/684568133.db2.gz UBWQIKXXIGGGRZ-HZSPNIEDSA-N 2 1 336.867 2.266 20 30 EEEDMP C[N@@H+](CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001026891156 685254750 /nfs/dbraw/zinc/25/47/50/685254750.db2.gz NIMBOOCIAJDFEM-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC(=C)Cl)C2)CC1 ZINC001027693853 694000606 /nfs/dbraw/zinc/00/06/06/694000606.db2.gz KSFCSRCANWVLMV-QGZVFWFLSA-N 2 1 337.895 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=C)Cl)C2)CC1 ZINC001027693853 694000610 /nfs/dbraw/zinc/00/06/10/694000610.db2.gz KSFCSRCANWVLMV-QGZVFWFLSA-N 2 1 337.895 2.007 20 30 EEEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCc2ccccc2C1 ZINC000262784789 688458325 /nfs/dbraw/zinc/45/83/25/688458325.db2.gz MBRBUNURVCAISR-SFHVURJKSA-N 2 1 332.517 2.057 20 30 EEEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988964727 691331337 /nfs/dbraw/zinc/33/13/37/691331337.db2.gz DVLNOZYQGUENGQ-UONOGXRCSA-N 2 1 346.500 2.183 20 30 EEEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N1CCCC1 ZINC000264098836 691482526 /nfs/dbraw/zinc/48/25/26/691482526.db2.gz MNJLOHOJWUVWMD-JKSUJKDBSA-N 2 1 349.548 2.274 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N1CCCC1 ZINC000264098836 691482528 /nfs/dbraw/zinc/48/25/28/691482528.db2.gz MNJLOHOJWUVWMD-JKSUJKDBSA-N 2 1 349.548 2.274 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000989450015 691849710 /nfs/dbraw/zinc/84/97/10/691849710.db2.gz MFQPVYORYWNXKK-GJZGRUSLSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000977391385 692560458 /nfs/dbraw/zinc/56/04/58/692560458.db2.gz UCQTZAREHPMABV-KRWDZBQOSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000977391385 692560459 /nfs/dbraw/zinc/56/04/59/692560459.db2.gz UCQTZAREHPMABV-KRWDZBQOSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418919 1188902711 /nfs/dbraw/zinc/90/27/11/1188902711.db2.gz WDIZOXUDNJJDSR-DLBZAZTESA-N 2 1 339.911 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418919 1188902715 /nfs/dbraw/zinc/90/27/15/1188902715.db2.gz WDIZOXUDNJJDSR-DLBZAZTESA-N 2 1 339.911 2.392 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001486129141 1193689502 /nfs/dbraw/zinc/68/95/02/1193689502.db2.gz MMYRLVKGXGQIAK-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417280 1194539323 /nfs/dbraw/zinc/53/93/23/1194539323.db2.gz VVAUXJCSRFGKHU-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033417280 1194539326 /nfs/dbraw/zinc/53/93/26/1194539326.db2.gz VVAUXJCSRFGKHU-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033417280 1194539329 /nfs/dbraw/zinc/53/93/29/1194539329.db2.gz VVAUXJCSRFGKHU-MAUKXSAKSA-N 2 1 325.472 2.308 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001005518928 1195897552 /nfs/dbraw/zinc/89/75/52/1195897552.db2.gz OIKMWEPFEOMNHE-TVPLGVNVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001005518928 1195897559 /nfs/dbraw/zinc/89/75/59/1195897559.db2.gz OIKMWEPFEOMNHE-TVPLGVNVSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001273143552 1197003979 /nfs/dbraw/zinc/00/39/79/1197003979.db2.gz IBOHOPWRVJNPKR-FQEVSTJZSA-N 2 1 347.503 2.136 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001132273005 1199520901 /nfs/dbraw/zinc/52/09/01/1199520901.db2.gz CWWJBKSTGYSONT-ZIAGYGMSSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)s1 ZINC001132273005 1199520905 /nfs/dbraw/zinc/52/09/05/1199520905.db2.gz CWWJBKSTGYSONT-ZIAGYGMSSA-N 2 1 334.489 2.041 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406513 1199664616 /nfs/dbraw/zinc/66/46/16/1199664616.db2.gz KIRAZUWGPMIKMO-IRXDYDNUSA-N 2 1 337.508 2.033 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132441675 1199726961 /nfs/dbraw/zinc/72/69/61/1199726961.db2.gz SODRFLKDUGVMNN-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132441675 1199726967 /nfs/dbraw/zinc/72/69/67/1199726967.db2.gz SODRFLKDUGVMNN-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132441675 1199726973 /nfs/dbraw/zinc/72/69/73/1199726973.db2.gz SODRFLKDUGVMNN-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132441675 1199726981 /nfs/dbraw/zinc/72/69/81/1199726981.db2.gz SODRFLKDUGVMNN-AZUAARDMSA-N 2 1 341.499 2.349 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132522268 1199831809 /nfs/dbraw/zinc/83/18/09/1199831809.db2.gz NSCLIHYAAJEBCV-QFBILLFUSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132522268 1199831813 /nfs/dbraw/zinc/83/18/13/1199831813.db2.gz NSCLIHYAAJEBCV-QFBILLFUSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132522268 1199831817 /nfs/dbraw/zinc/83/18/17/1199831817.db2.gz NSCLIHYAAJEBCV-QFBILLFUSA-N 2 1 342.487 2.368 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132522268 1199831822 /nfs/dbraw/zinc/83/18/22/1199831822.db2.gz NSCLIHYAAJEBCV-QFBILLFUSA-N 2 1 342.487 2.368 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133147418 1200521081 /nfs/dbraw/zinc/52/10/81/1200521081.db2.gz SUQHLTJVCLMRGA-ROUUACIJSA-N 2 1 344.503 2.494 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114455759 1200565970 /nfs/dbraw/zinc/56/59/70/1200565970.db2.gz ITTYZFLPJJSMBZ-BDXSIMOUSA-N 2 1 331.504 2.264 20 30 EEEDMP CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129315238 1201782142 /nfs/dbraw/zinc/78/21/42/1201782142.db2.gz NSWDKHZXSDXJQF-SMDDNHRTSA-N 2 1 335.521 2.440 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)C2 ZINC001275950132 1205599600 /nfs/dbraw/zinc/59/96/00/1205599600.db2.gz PQPPRCUHENAMRP-AEFFLSMTSA-N 2 1 337.471 2.107 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001095556236 1205872833 /nfs/dbraw/zinc/87/28/33/1205872833.db2.gz GMTKOIVLNCZAOJ-FYQPLNBISA-N 2 1 343.515 2.386 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001111229845 1208396683 /nfs/dbraw/zinc/39/66/83/1208396683.db2.gz CBAMBZLZGRMOCE-XYPHTWIQSA-N 2 1 346.500 2.183 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001111229845 1208396686 /nfs/dbraw/zinc/39/66/86/1208396686.db2.gz CBAMBZLZGRMOCE-XYPHTWIQSA-N 2 1 346.500 2.183 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001111229845 1208396690 /nfs/dbraw/zinc/39/66/90/1208396690.db2.gz CBAMBZLZGRMOCE-XYPHTWIQSA-N 2 1 346.500 2.183 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001111229845 1208396692 /nfs/dbraw/zinc/39/66/92/1208396692.db2.gz CBAMBZLZGRMOCE-XYPHTWIQSA-N 2 1 346.500 2.183 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947780104 1208713504 /nfs/dbraw/zinc/71/35/04/1208713504.db2.gz VSKNKZTUKQQPGW-HOCLYGCPSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947780104 1208713509 /nfs/dbraw/zinc/71/35/09/1208713509.db2.gz VSKNKZTUKQQPGW-HOCLYGCPSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948056884 1208846849 /nfs/dbraw/zinc/84/68/49/1208846849.db2.gz NKEPJYHPBIYIFS-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000948432440 1209135017 /nfs/dbraw/zinc/13/50/17/1209135017.db2.gz GWYITFHVAICDHP-IEBWSBKVSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000948432440 1209135019 /nfs/dbraw/zinc/13/50/19/1209135019.db2.gz GWYITFHVAICDHP-IEBWSBKVSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000948432440 1209135020 /nfs/dbraw/zinc/13/50/20/1209135020.db2.gz GWYITFHVAICDHP-IEBWSBKVSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439160 1209138809 /nfs/dbraw/zinc/13/88/09/1209138809.db2.gz ISRDCEWKFNUUNS-SJORKVTESA-N 2 1 328.460 2.097 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439160 1209138811 /nfs/dbraw/zinc/13/88/11/1209138811.db2.gz ISRDCEWKFNUUNS-SJORKVTESA-N 2 1 328.460 2.097 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000948705646 1209312531 /nfs/dbraw/zinc/31/25/31/1209312531.db2.gz ITKFANPRFOSWKE-PKOBYXMFSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000948923850 1209455774 /nfs/dbraw/zinc/45/57/74/1209455774.db2.gz VJPHYBMLKSAPSI-POAQFYNOSA-N 2 1 339.483 2.066 20 30 EEEDMP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000948923850 1209455777 /nfs/dbraw/zinc/45/57/77/1209455777.db2.gz VJPHYBMLKSAPSI-POAQFYNOSA-N 2 1 339.483 2.066 20 30 EEEDMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000948923850 1209455778 /nfs/dbraw/zinc/45/57/78/1209455778.db2.gz VJPHYBMLKSAPSI-POAQFYNOSA-N 2 1 339.483 2.066 20 30 EEEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=[NH2+])N2CCOCC2)C1 ZINC000303883381 1213919599 /nfs/dbraw/zinc/91/95/99/1213919599.db2.gz IOBWZYGMAGYEJO-CALCHBBNSA-N 2 1 344.503 2.311 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)CC1 ZINC000957559077 1215209606 /nfs/dbraw/zinc/20/96/06/1215209606.db2.gz AHPHZNAKDQNCRD-LJQANCHMSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000960268006 1216459920 /nfs/dbraw/zinc/45/99/20/1216459920.db2.gz KXSOERJEHXRFNF-WJFTUGDTSA-N 2 1 327.472 2.275 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000960325815 1216495270 /nfs/dbraw/zinc/49/52/70/1216495270.db2.gz DSFXTSLXSBBXPY-XFQXTVEOSA-N 2 1 327.472 2.276 20 30 EEEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961373259 1217162726 /nfs/dbraw/zinc/16/27/26/1217162726.db2.gz NBQJIBKCJFNDJX-NZSAHSFTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961373259 1217162729 /nfs/dbraw/zinc/16/27/29/1217162729.db2.gz NBQJIBKCJFNDJX-NZSAHSFTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961373259 1217162731 /nfs/dbraw/zinc/16/27/31/1217162731.db2.gz NBQJIBKCJFNDJX-NZSAHSFTSA-N 2 1 333.520 2.463 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961376949 1217165026 /nfs/dbraw/zinc/16/50/26/1217165026.db2.gz UKQNRQPKBAWRTD-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961432786 1217187999 /nfs/dbraw/zinc/18/79/99/1217187999.db2.gz SHKOFLWEPKPNTB-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432786 1217188002 /nfs/dbraw/zinc/18/80/02/1217188002.db2.gz SHKOFLWEPKPNTB-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432786 1217188005 /nfs/dbraw/zinc/18/80/05/1217188005.db2.gz SHKOFLWEPKPNTB-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967311952 1220403351 /nfs/dbraw/zinc/40/33/51/1220403351.db2.gz LHVCITKFEUZCMA-YJBOKZPZSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967311949 1220403401 /nfs/dbraw/zinc/40/34/01/1220403401.db2.gz LHVCITKFEUZCMA-QAPCUYQASA-N 2 1 339.443 2.284 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022249 1221747854 /nfs/dbraw/zinc/74/78/54/1221747854.db2.gz AFCKMBRWNFJMMC-MSOLQXFVSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022249 1221747859 /nfs/dbraw/zinc/74/78/59/1221747859.db2.gz AFCKMBRWNFJMMC-MSOLQXFVSA-N 2 1 342.487 2.138 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001007649704 1222345843 /nfs/dbraw/zinc/34/58/43/1222345843.db2.gz WXPFXSBEOPORCG-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533116 1222910214 /nfs/dbraw/zinc/91/02/14/1222910214.db2.gz JZTDZTGBDNGKTG-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533116 1222910217 /nfs/dbraw/zinc/91/02/17/1222910217.db2.gz JZTDZTGBDNGKTG-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014412039 1226587856 /nfs/dbraw/zinc/58/78/56/1226587856.db2.gz FDUROUZZFLVWSR-MOPGFXCFSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014412039 1226587861 /nfs/dbraw/zinc/58/78/61/1226587861.db2.gz FDUROUZZFLVWSR-MOPGFXCFSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001014412039 1226587865 /nfs/dbraw/zinc/58/78/65/1226587865.db2.gz FDUROUZZFLVWSR-MOPGFXCFSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001014412039 1226587869 /nfs/dbraw/zinc/58/78/69/1226587869.db2.gz FDUROUZZFLVWSR-MOPGFXCFSA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182915 1230410495 /nfs/dbraw/zinc/41/04/95/1230410495.db2.gz UMZFZDXWTACCCJ-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182915 1230410499 /nfs/dbraw/zinc/41/04/99/1230410499.db2.gz UMZFZDXWTACCCJ-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182915 1230410502 /nfs/dbraw/zinc/41/05/02/1230410502.db2.gz UMZFZDXWTACCCJ-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039288631 1230510561 /nfs/dbraw/zinc/51/05/61/1230510561.db2.gz CMPRDMXFWKPGTH-HRVKUGKESA-N 2 1 331.504 2.384 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240454 1231125182 /nfs/dbraw/zinc/12/51/82/1231125182.db2.gz GHBCPIONBUUNDL-VQIMIIECSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240454 1231125185 /nfs/dbraw/zinc/12/51/85/1231125185.db2.gz GHBCPIONBUUNDL-VQIMIIECSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242729 1231128084 /nfs/dbraw/zinc/12/80/84/1231128084.db2.gz ZZUJXKXVIXOQAU-YLJYHZDGSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040242729 1231128085 /nfs/dbraw/zinc/12/80/85/1231128085.db2.gz ZZUJXKXVIXOQAU-YLJYHZDGSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040493466 1231261886 /nfs/dbraw/zinc/26/18/86/1231261886.db2.gz LOTHLPHRRHWRQI-FQEVSTJZSA-N 2 1 340.471 2.099 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001040493466 1231261888 /nfs/dbraw/zinc/26/18/88/1231261888.db2.gz LOTHLPHRRHWRQI-FQEVSTJZSA-N 2 1 340.471 2.099 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001041679866 1231647870 /nfs/dbraw/zinc/64/78/70/1231647870.db2.gz PHQSUWGUVLIYMM-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001041679866 1231647872 /nfs/dbraw/zinc/64/78/72/1231647872.db2.gz PHQSUWGUVLIYMM-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041679866 1231647873 /nfs/dbraw/zinc/64/78/73/1231647873.db2.gz PHQSUWGUVLIYMM-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041679866 1231647876 /nfs/dbraw/zinc/64/78/76/1231647876.db2.gz PHQSUWGUVLIYMM-NVXWUHKLSA-N 2 1 325.884 2.148 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CCC(=C)C)C3)C2)CC1 ZINC001041844771 1231728287 /nfs/dbraw/zinc/72/82/87/1231728287.db2.gz MPXQQXFRCWNPRW-OAQYLSRUSA-N 2 1 343.515 2.222 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042366963 1232048867 /nfs/dbraw/zinc/04/88/67/1232048867.db2.gz YPXKBFQOMXOUMO-AZUAARDMSA-N 2 1 339.483 2.308 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045939017 1234194842 /nfs/dbraw/zinc/19/48/42/1234194842.db2.gz RTPGIECSNBOESL-ZVDOUQERSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045939017 1234194843 /nfs/dbraw/zinc/19/48/43/1234194843.db2.gz RTPGIECSNBOESL-ZVDOUQERSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045939017 1234194844 /nfs/dbraw/zinc/19/48/44/1234194844.db2.gz RTPGIECSNBOESL-ZVDOUQERSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC3CC3)C2)C1 ZINC001045944086 1234204561 /nfs/dbraw/zinc/20/45/61/1234204561.db2.gz WXODAYPJKTWJEB-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC3CC3)C2)C1 ZINC001045944086 1234204563 /nfs/dbraw/zinc/20/45/63/1234204563.db2.gz WXODAYPJKTWJEB-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045944086 1234204567 /nfs/dbraw/zinc/20/45/67/1234204567.db2.gz WXODAYPJKTWJEB-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045944086 1234204570 /nfs/dbraw/zinc/20/45/70/1234204570.db2.gz WXODAYPJKTWJEB-FPOVZHCZSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045944788 1234205225 /nfs/dbraw/zinc/20/52/25/1234205225.db2.gz ILNCUOBJBWELRT-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045944788 1234205226 /nfs/dbraw/zinc/20/52/26/1234205226.db2.gz ILNCUOBJBWELRT-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001045944788 1234205228 /nfs/dbraw/zinc/20/52/28/1234205228.db2.gz ILNCUOBJBWELRT-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001045944788 1234205231 /nfs/dbraw/zinc/20/52/31/1234205231.db2.gz ILNCUOBJBWELRT-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCF)CC1 ZINC001048590613 1238043294 /nfs/dbraw/zinc/04/32/94/1238043294.db2.gz QYRRNLLHJPREOJ-GGPHIMKMSA-N 2 1 349.494 2.050 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001049061292 1239893992 /nfs/dbraw/zinc/89/39/92/1239893992.db2.gz YBOZCBCXUYZKMP-OKZBNKHCSA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001049061292 1239893994 /nfs/dbraw/zinc/89/39/94/1239893994.db2.gz YBOZCBCXUYZKMP-OKZBNKHCSA-N 2 1 342.487 2.110 20 30 EEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CC2)CC1 ZINC001000240367 1240092508 /nfs/dbraw/zinc/09/25/08/1240092508.db2.gz GXPZCXNKNOAGNR-INIZCTEOSA-N 2 1 342.487 2.301 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)CC1 ZINC001000246598 1240098658 /nfs/dbraw/zinc/09/86/58/1240098658.db2.gz CSLPUOUGTMMNEE-SFHVURJKSA-N 2 1 345.531 2.493 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000259336 1240108316 /nfs/dbraw/zinc/10/83/16/1240108316.db2.gz HAMHAIXOLCPASL-XJKSGUPXSA-N 2 1 339.911 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000259336 1240108318 /nfs/dbraw/zinc/10/83/18/1240108318.db2.gz HAMHAIXOLCPASL-XJKSGUPXSA-N 2 1 339.911 2.297 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049485182 1241097932 /nfs/dbraw/zinc/09/79/32/1241097932.db2.gz MCCNTMZNSIXQTB-RCCFBDPRSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049485182 1241097941 /nfs/dbraw/zinc/09/79/41/1241097941.db2.gz MCCNTMZNSIXQTB-RCCFBDPRSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049566174 1241440794 /nfs/dbraw/zinc/44/07/94/1241440794.db2.gz GYJZHYPOPLTCCZ-GUDVDZBRSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C(C)C)cc1F ZINC001001518781 1242422358 /nfs/dbraw/zinc/42/23/58/1242422358.db2.gz CENLUYISUUKQHS-SFHVURJKSA-N 2 1 331.435 2.038 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C(C)C)cc1F ZINC001001518781 1242422366 /nfs/dbraw/zinc/42/23/66/1242422366.db2.gz CENLUYISUUKQHS-SFHVURJKSA-N 2 1 331.435 2.038 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073899214 1242763325 /nfs/dbraw/zinc/76/33/25/1242763325.db2.gz NVRNVGYLGMUYJJ-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899214 1242763334 /nfs/dbraw/zinc/76/33/34/1242763334.db2.gz NVRNVGYLGMUYJJ-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899214 1242763346 /nfs/dbraw/zinc/76/33/46/1242763346.db2.gz NVRNVGYLGMUYJJ-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCCC[NH+]3C)cccc2C1 ZINC001051293074 1245490555 /nfs/dbraw/zinc/49/05/55/1245490555.db2.gz NXKCXZKLAXALTN-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP CC#CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cccc2C1 ZINC001051293074 1245490561 /nfs/dbraw/zinc/49/05/61/1245490561.db2.gz NXKCXZKLAXALTN-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP CC#CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCCC[N@H+]3C)cccc2C1 ZINC001051293074 1245490566 /nfs/dbraw/zinc/49/05/66/1245490566.db2.gz NXKCXZKLAXALTN-FQEVSTJZSA-N 2 1 339.483 2.169 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055276 1245785836 /nfs/dbraw/zinc/78/58/36/1245785836.db2.gz WQRRKTDCDRXDSJ-RBUKOAKNSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053055276 1245785844 /nfs/dbraw/zinc/78/58/44/1245785844.db2.gz WQRRKTDCDRXDSJ-RBUKOAKNSA-N 2 1 342.487 2.165 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101437881 1245823931 /nfs/dbraw/zinc/82/39/31/1245823931.db2.gz USGVPDCRLRFHRR-WBVHZDCISA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101437881 1245823938 /nfs/dbraw/zinc/82/39/38/1245823938.db2.gz USGVPDCRLRFHRR-WBVHZDCISA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(C)CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001054060437 1247271060 /nfs/dbraw/zinc/27/10/60/1247271060.db2.gz MSVJSUFMTOWUDC-WOJBJXKFSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054060437 1247271069 /nfs/dbraw/zinc/27/10/69/1247271069.db2.gz MSVJSUFMTOWUDC-WOJBJXKFSA-N 2 1 341.499 2.447 20 30 EEEDMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054060437 1247271078 /nfs/dbraw/zinc/27/10/78/1247271078.db2.gz MSVJSUFMTOWUDC-WOJBJXKFSA-N 2 1 341.499 2.447 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001491221416 1258789882 /nfs/dbraw/zinc/78/98/82/1258789882.db2.gz GVHQNEUBZMESTH-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001491221416 1258789885 /nfs/dbraw/zinc/78/98/85/1258789885.db2.gz GVHQNEUBZMESTH-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP N#Cc1c(Cl)c(F)cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1Cl ZINC001189847158 1280538718 /nfs/dbraw/zinc/53/87/18/1280538718.db2.gz PXPWYOBRHLHKNT-UHFFFAOYSA-N 2 1 346.193 2.079 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001191019164 1281178396 /nfs/dbraw/zinc/17/83/96/1281178396.db2.gz KDEFEAYPEJANJM-GOSISDBHSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001191019164 1281178400 /nfs/dbraw/zinc/17/84/00/1281178400.db2.gz KDEFEAYPEJANJM-GOSISDBHSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001191019164 1281178403 /nfs/dbraw/zinc/17/84/03/1281178403.db2.gz KDEFEAYPEJANJM-GOSISDBHSA-N 2 1 342.487 2.321 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001192342356 1281938446 /nfs/dbraw/zinc/93/84/46/1281938446.db2.gz DIMOFWNUPNNMMY-AZUAARDMSA-N 2 1 339.483 2.055 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001192342356 1281938450 /nfs/dbraw/zinc/93/84/50/1281938450.db2.gz DIMOFWNUPNNMMY-AZUAARDMSA-N 2 1 339.483 2.055 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001192342356 1281938454 /nfs/dbraw/zinc/93/84/54/1281938454.db2.gz DIMOFWNUPNNMMY-AZUAARDMSA-N 2 1 339.483 2.055 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001192342356 1281938455 /nfs/dbraw/zinc/93/84/55/1281938455.db2.gz DIMOFWNUPNNMMY-AZUAARDMSA-N 2 1 339.483 2.055 20 30 EEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001197158733 1284486215 /nfs/dbraw/zinc/48/62/15/1284486215.db2.gz VJDLDDZRDPHKGV-QGZVFWFLSA-N 2 1 330.476 2.254 20 30 EEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001197158733 1284486221 /nfs/dbraw/zinc/48/62/21/1284486221.db2.gz VJDLDDZRDPHKGV-QGZVFWFLSA-N 2 1 330.476 2.254 20 30 EEEDMP CC#CC[NH2+][C@@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198969938 1285452034 /nfs/dbraw/zinc/45/20/34/1285452034.db2.gz YYHIKSRHTYQXNI-SFHVURJKSA-N 2 1 345.487 2.197 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252777 1295949452 /nfs/dbraw/zinc/94/94/52/1295949452.db2.gz PYCZZNRFMFLZGU-GVDBMIGSSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001073748293 1297480769 /nfs/dbraw/zinc/48/07/69/1297480769.db2.gz CUYIWIMOQRIAND-KRWDZBQOSA-N 2 1 349.475 2.128 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218376991 1297646822 /nfs/dbraw/zinc/64/68/22/1297646822.db2.gz KHEDZIICPXCXMK-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001073904794 1297676186 /nfs/dbraw/zinc/67/61/86/1297676186.db2.gz NMPCYVJGIVBXFY-KRWDZBQOSA-N 2 1 349.475 2.128 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099521450 1299181054 /nfs/dbraw/zinc/18/10/54/1299181054.db2.gz RINTYYXTBIGHNK-MHORFTMASA-N 2 1 331.504 2.073 20 30 EEEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001223578408 1300180249 /nfs/dbraw/zinc/18/02/49/1300180249.db2.gz WPRTZZPEPCRZLX-MOPGFXCFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059297 1300219349 /nfs/dbraw/zinc/21/93/49/1300219349.db2.gz JZRAIAQXELJEAP-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102059297 1300219361 /nfs/dbraw/zinc/21/93/61/1300219361.db2.gz JZRAIAQXELJEAP-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102059297 1300219369 /nfs/dbraw/zinc/21/93/69/1300219369.db2.gz JZRAIAQXELJEAP-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375691 1300954752 /nfs/dbraw/zinc/95/47/52/1300954752.db2.gz XGIXWVMCMQLBMZ-UKRRQHHQSA-N 2 1 329.916 2.401 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375691 1300954754 /nfs/dbraw/zinc/95/47/54/1300954754.db2.gz XGIXWVMCMQLBMZ-UKRRQHHQSA-N 2 1 329.916 2.401 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375691 1300954757 /nfs/dbraw/zinc/95/47/57/1300954757.db2.gz XGIXWVMCMQLBMZ-UKRRQHHQSA-N 2 1 329.916 2.401 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001228166809 1302134561 /nfs/dbraw/zinc/13/45/61/1302134561.db2.gz AZFHAHAWRJJQRO-KURKYZTESA-N 2 1 337.508 2.079 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001228166809 1302134563 /nfs/dbraw/zinc/13/45/63/1302134563.db2.gz AZFHAHAWRJJQRO-KURKYZTESA-N 2 1 337.508 2.079 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103493718 1303033318 /nfs/dbraw/zinc/03/33/18/1303033318.db2.gz CHLNSJBGKDOWBM-QZTJIDSGSA-N 2 1 344.503 2.494 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103493718 1303033325 /nfs/dbraw/zinc/03/33/25/1303033325.db2.gz CHLNSJBGKDOWBM-QZTJIDSGSA-N 2 1 344.503 2.494 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495868 1303035720 /nfs/dbraw/zinc/03/57/20/1303035720.db2.gz WPCUXAJSIHPRAK-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495868 1303035729 /nfs/dbraw/zinc/03/57/29/1303035729.db2.gz WPCUXAJSIHPRAK-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001103495868 1303035738 /nfs/dbraw/zinc/03/57/38/1303035738.db2.gz WPCUXAJSIHPRAK-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001111817080 1303934695 /nfs/dbraw/zinc/93/46/95/1303934695.db2.gz MXSRYOSKHYQMMR-RXVVDRJESA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001111817086 1303935052 /nfs/dbraw/zinc/93/50/52/1303935052.db2.gz NHHQNOSJRBRBKD-PXNSSMCTSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111817086 1303935057 /nfs/dbraw/zinc/93/50/57/1303935057.db2.gz NHHQNOSJRBRBKD-PXNSSMCTSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111817086 1303935060 /nfs/dbraw/zinc/93/50/60/1303935060.db2.gz NHHQNOSJRBRBKD-PXNSSMCTSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115730226 1305682227 /nfs/dbraw/zinc/68/22/27/1305682227.db2.gz GEJBMMROYJKVAE-AWEZNQCLSA-N 2 1 327.900 2.489 20 30 EEEDMP N#Cc1ccc(C2CCC([N@@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])CC2)cc1 ZINC001246860030 1310452466 /nfs/dbraw/zinc/45/24/66/1310452466.db2.gz NEQPPEDMKSDNEB-HGVRWNOSSA-N 2 1 325.456 2.490 20 30 EEEDMP N#Cc1ccc(C2CCC([N@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])CC2)cc1 ZINC001246860030 1310452471 /nfs/dbraw/zinc/45/24/71/1310452471.db2.gz NEQPPEDMKSDNEB-HGVRWNOSSA-N 2 1 325.456 2.490 20 30 EEEDMP Cc1cc(F)ccc1C[N@H+](C1CC[NH2+]CC1)[C@@H]1CCN[C@H](C#N)C1 ZINC001246959441 1310479107 /nfs/dbraw/zinc/47/91/07/1310479107.db2.gz IKRFRRKIMFGTCQ-PKOBYXMFSA-N 2 1 330.451 2.332 20 30 EEEDMP Cc1cc(F)ccc1C[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCN[C@H](C#N)C1 ZINC001246959441 1310479114 /nfs/dbraw/zinc/47/91/14/1310479114.db2.gz IKRFRRKIMFGTCQ-PKOBYXMFSA-N 2 1 330.451 2.332 20 30 EEEDMP C=CCCC[NH+]1CCC(CCOC)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001151410083 1316526078 /nfs/dbraw/zinc/52/60/78/1316526078.db2.gz OKALCSGUUPWZRT-UHFFFAOYSA-N 2 1 348.491 2.145 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033580 1316941128 /nfs/dbraw/zinc/94/11/28/1316941128.db2.gz DWGCJRMYLOCHFO-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033580 1316941130 /nfs/dbraw/zinc/94/11/30/1316941130.db2.gz DWGCJRMYLOCHFO-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033580 1316941131 /nfs/dbraw/zinc/94/11/31/1316941131.db2.gz DWGCJRMYLOCHFO-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033580 1316941133 /nfs/dbraw/zinc/94/11/33/1316941133.db2.gz DWGCJRMYLOCHFO-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001155249204 1317522472 /nfs/dbraw/zinc/52/24/72/1317522472.db2.gz ISJHRLBADUWXEJ-OAHLLOKOSA-N 2 1 334.464 2.287 20 30 EEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001155249204 1317522477 /nfs/dbraw/zinc/52/24/77/1317522477.db2.gz ISJHRLBADUWXEJ-OAHLLOKOSA-N 2 1 334.464 2.287 20 30 EEEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001155314244 1317548008 /nfs/dbraw/zinc/54/80/08/1317548008.db2.gz RTFDSTRWBQGXIU-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158724116 1319402895 /nfs/dbraw/zinc/40/28/95/1319402895.db2.gz ZMZCLPOGCUGHEZ-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001159839233 1320002310 /nfs/dbraw/zinc/00/23/10/1320002310.db2.gz VHIVFMVNUPAKDT-HXUWFJFHSA-N 2 1 341.499 2.112 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001159923888 1320023294 /nfs/dbraw/zinc/02/32/94/1320023294.db2.gz BGVISBFVRQOBHN-KRWDZBQOSA-N 2 1 346.475 2.315 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(C[N@H+](C)C2CC2)cn1 ZINC001159923888 1320023301 /nfs/dbraw/zinc/02/33/01/1320023301.db2.gz BGVISBFVRQOBHN-KRWDZBQOSA-N 2 1 346.475 2.315 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1ccccc1Cl ZINC001160209196 1320100251 /nfs/dbraw/zinc/10/02/51/1320100251.db2.gz CNNPNTUADZYAFI-SFHVURJKSA-N 2 1 347.890 2.076 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1ccccc1Cl ZINC001160209196 1320100256 /nfs/dbraw/zinc/10/02/56/1320100256.db2.gz CNNPNTUADZYAFI-SFHVURJKSA-N 2 1 347.890 2.076 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466832 1320169558 /nfs/dbraw/zinc/16/95/58/1320169558.db2.gz KPBIKKBFNHPESX-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160466832 1320169559 /nfs/dbraw/zinc/16/95/59/1320169559.db2.gz KPBIKKBFNHPESX-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160466832 1320169562 /nfs/dbraw/zinc/16/95/62/1320169562.db2.gz KPBIKKBFNHPESX-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001160688477 1320234686 /nfs/dbraw/zinc/23/46/86/1320234686.db2.gz OBOJXMXQQYOETG-UHFFFAOYSA-N 2 1 342.487 2.476 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001160688477 1320234690 /nfs/dbraw/zinc/23/46/90/1320234690.db2.gz OBOJXMXQQYOETG-UHFFFAOYSA-N 2 1 342.487 2.476 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161207756 1320420592 /nfs/dbraw/zinc/42/05/92/1320420592.db2.gz VTIJKWJRNRFPAU-OAHLLOKOSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161207756 1320420595 /nfs/dbraw/zinc/42/05/95/1320420595.db2.gz VTIJKWJRNRFPAU-OAHLLOKOSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161207756 1320420600 /nfs/dbraw/zinc/42/06/00/1320420600.db2.gz VTIJKWJRNRFPAU-OAHLLOKOSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161207756 1320420603 /nfs/dbraw/zinc/42/06/03/1320420603.db2.gz VTIJKWJRNRFPAU-OAHLLOKOSA-N 2 1 325.884 2.362 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994111 1320711497 /nfs/dbraw/zinc/71/14/97/1320711497.db2.gz UGYSPNNDZTVZCP-UHFFFAOYSA-N 2 1 331.504 2.414 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001162928686 1320990382 /nfs/dbraw/zinc/99/03/82/1320990382.db2.gz NFFAJCVOSRFEFM-SFHVURJKSA-N 2 1 329.488 2.318 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001164449382 1321381876 /nfs/dbraw/zinc/38/18/76/1321381876.db2.gz JZFHFEFOPWIOPY-IBGZPJMESA-N 2 1 342.487 2.276 20 30 EEEDMP C#CCC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578863 1321424913 /nfs/dbraw/zinc/42/49/13/1321424913.db2.gz WKVKRDZUGXKLNH-MRXNPFEDSA-N 2 1 330.476 2.296 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001206307418 1323451867 /nfs/dbraw/zinc/45/18/67/1323451867.db2.gz HBABCNUQITWOGJ-UHFFFAOYSA-N 2 1 341.499 2.012 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208668048 1324611777 /nfs/dbraw/zinc/61/17/77/1324611777.db2.gz KWNLUZXVVBDLEM-IEBWSBKVSA-N 2 1 329.488 2.174 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208668048 1324611790 /nfs/dbraw/zinc/61/17/90/1324611790.db2.gz KWNLUZXVVBDLEM-IEBWSBKVSA-N 2 1 329.488 2.174 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208668048 1324611796 /nfs/dbraw/zinc/61/17/96/1324611796.db2.gz KWNLUZXVVBDLEM-IEBWSBKVSA-N 2 1 329.488 2.174 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208668048 1324611808 /nfs/dbraw/zinc/61/18/08/1324611808.db2.gz KWNLUZXVVBDLEM-IEBWSBKVSA-N 2 1 329.488 2.174 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210144841 1325177630 /nfs/dbraw/zinc/17/76/30/1325177630.db2.gz ABIUDQLFVKAPOF-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001282454679 1325725159 /nfs/dbraw/zinc/72/51/59/1325725159.db2.gz FYPQRPUATWWBSB-IEBWSBKVSA-N 2 1 329.488 2.061 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001282454679 1325725160 /nfs/dbraw/zinc/72/51/60/1325725160.db2.gz FYPQRPUATWWBSB-IEBWSBKVSA-N 2 1 329.488 2.061 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N(C)CC[NH+]1CCCCC1 ZINC001338693062 1336895014 /nfs/dbraw/zinc/89/50/14/1336895014.db2.gz IYHBBOQNZQHCKZ-KRWDZBQOSA-N 2 1 346.523 2.195 20 30 EEEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001665084946 1355274007 /nfs/dbraw/zinc/27/40/07/1355274007.db2.gz HVYKHNOVBCAHNM-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001665084946 1355274009 /nfs/dbraw/zinc/27/40/09/1355274009.db2.gz HVYKHNOVBCAHNM-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001665084946 1355274011 /nfs/dbraw/zinc/27/40/11/1355274011.db2.gz HVYKHNOVBCAHNM-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001665084946 1355274014 /nfs/dbraw/zinc/27/40/14/1355274014.db2.gz HVYKHNOVBCAHNM-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC/C=C\CCC)CC1 ZINC001201093682 1368779182 /nfs/dbraw/zinc/77/91/82/1368779182.db2.gz HNJCDXRSOOMBEL-RURPWVQCSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC/C=C\CCC)CC1 ZINC001201093682 1368779185 /nfs/dbraw/zinc/77/91/85/1368779185.db2.gz HNJCDXRSOOMBEL-RURPWVQCSA-N 2 1 331.504 2.411 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)C[C@@H](C)O2 ZINC001098571212 1370983749 /nfs/dbraw/zinc/98/37/49/1370983749.db2.gz OCFACLTWTFFDAW-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(C#N)cc1 ZINC001372479674 1376030601 /nfs/dbraw/zinc/03/06/01/1376030601.db2.gz GPTHNFRZEJZPLT-UHFFFAOYSA-N 2 1 342.487 2.372 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC001374436948 1376813176 /nfs/dbraw/zinc/81/31/76/1376813176.db2.gz FNIBHCMFIVNPDV-INIZCTEOSA-N 2 1 347.850 2.364 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001375420846 1377719295 /nfs/dbraw/zinc/71/92/95/1377719295.db2.gz LHFDRSZHHZFVDE-ZDUSSCGKSA-N 2 1 344.297 2.006 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001375420846 1377719297 /nfs/dbraw/zinc/71/92/97/1377719297.db2.gz LHFDRSZHHZFVDE-ZDUSSCGKSA-N 2 1 344.297 2.006 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001377002861 1378911282 /nfs/dbraw/zinc/91/12/82/1378911282.db2.gz XLWRUMNNIWFPRT-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001377002861 1378911290 /nfs/dbraw/zinc/91/12/90/1378911290.db2.gz XLWRUMNNIWFPRT-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001377002861 1378911297 /nfs/dbraw/zinc/91/12/97/1378911297.db2.gz XLWRUMNNIWFPRT-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP C=C(Br)C[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001377713579 1379468665 /nfs/dbraw/zinc/46/86/65/1379468665.db2.gz AGBIUVXJWBKQRD-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001377713579 1379468669 /nfs/dbraw/zinc/46/86/69/1379468669.db2.gz AGBIUVXJWBKQRD-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001377713579 1379468671 /nfs/dbraw/zinc/46/86/71/1379468671.db2.gz AGBIUVXJWBKQRD-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001377713579 1379468677 /nfs/dbraw/zinc/46/86/77/1379468677.db2.gz AGBIUVXJWBKQRD-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001752782819 1406399248 /nfs/dbraw/zinc/39/92/48/1406399248.db2.gz BGJXBCYDIRYVKG-IRXDYDNUSA-N 2 1 330.476 2.248 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001752782819 1406399260 /nfs/dbraw/zinc/39/92/60/1406399260.db2.gz BGJXBCYDIRYVKG-IRXDYDNUSA-N 2 1 330.476 2.248 20 30 EEEDMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001392234554 1389916897 /nfs/dbraw/zinc/91/68/97/1389916897.db2.gz OVDWHVKFZZLMRV-QGZVFWFLSA-N 2 1 348.516 2.334 20 30 EEEDMP C[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(F)c(C#N)c1 ZINC001399658201 1395368360 /nfs/dbraw/zinc/36/83/60/1395368360.db2.gz XKIMMGGWKCZHND-UHFFFAOYSA-N 2 1 346.450 2.121 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001402004385 1397718481 /nfs/dbraw/zinc/71/84/81/1397718481.db2.gz MGVBYEMMTOXZKH-DOTOQJQBSA-N 2 1 345.890 2.343 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001402004385 1397718483 /nfs/dbraw/zinc/71/84/83/1397718483.db2.gz MGVBYEMMTOXZKH-DOTOQJQBSA-N 2 1 345.890 2.343 20 30 EEEDMP C[C@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)C12CCC[NH+]1CCC2 ZINC001422859049 1400233423 /nfs/dbraw/zinc/23/34/23/1400233423.db2.gz RYFGDJLAEUWHIU-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)C12CCC[NH+]1CCC2 ZINC001422859049 1400233425 /nfs/dbraw/zinc/23/34/25/1400233425.db2.gz RYFGDJLAEUWHIU-MRXNPFEDSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001423389931 1400565760 /nfs/dbraw/zinc/56/57/60/1400565760.db2.gz PXPIWCLVRQRYQL-GJZGRUSLSA-N 2 1 348.516 2.336 20 30 EEEDMP C#CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001733811293 1406018264 /nfs/dbraw/zinc/01/82/64/1406018264.db2.gz OLBZDOJHQNRXDK-UXHICEINSA-N 2 1 341.499 2.139 20 30 EEEDMP C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001733811293 1406018272 /nfs/dbraw/zinc/01/82/72/1406018272.db2.gz OLBZDOJHQNRXDK-UXHICEINSA-N 2 1 341.499 2.139 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)CC1(C)C ZINC001755414917 1407432337 /nfs/dbraw/zinc/43/23/37/1407432337.db2.gz CPJJGDGIJJRAFA-LJQANCHMSA-N 2 1 341.499 2.207 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)CC1(C)C ZINC001755414917 1407432344 /nfs/dbraw/zinc/43/23/44/1407432344.db2.gz CPJJGDGIJJRAFA-LJQANCHMSA-N 2 1 341.499 2.207 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC001755414917 1407432350 /nfs/dbraw/zinc/43/23/50/1407432350.db2.gz CPJJGDGIJJRAFA-LJQANCHMSA-N 2 1 341.499 2.207 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC001755414917 1407432359 /nfs/dbraw/zinc/43/23/59/1407432359.db2.gz CPJJGDGIJJRAFA-LJQANCHMSA-N 2 1 341.499 2.207 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001755592200 1407662487 /nfs/dbraw/zinc/66/24/87/1407662487.db2.gz ZFERELXGSZADKV-KSSFIOAISA-N 2 1 347.528 2.399 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001755592200 1407662497 /nfs/dbraw/zinc/66/24/97/1407662497.db2.gz ZFERELXGSZADKV-KSSFIOAISA-N 2 1 347.528 2.399 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]21 ZINC001755708192 1407761708 /nfs/dbraw/zinc/76/17/08/1407761708.db2.gz LEZWXQVGAWVBTM-YSIASYRMSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001755770233 1407830978 /nfs/dbraw/zinc/83/09/78/1407830978.db2.gz QJZDZDCXZFVODB-KBPBESRZSA-N 2 1 335.414 2.129 20 30 EEEDMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)Cn2c[nH+]cc2C)c(F)c1 ZINC001755902094 1407977277 /nfs/dbraw/zinc/97/72/77/1407977277.db2.gz NYGXFVAQLJWJQR-UHFFFAOYSA-N 2 1 330.407 2.313 20 30 EEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001121628180 1410237133 /nfs/dbraw/zinc/23/71/33/1410237133.db2.gz FHDLTSQTALHBTA-QAELIBMJSA-N 2 1 349.519 2.079 20 30 EEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001121628180 1410237140 /nfs/dbraw/zinc/23/71/40/1410237140.db2.gz FHDLTSQTALHBTA-QAELIBMJSA-N 2 1 349.519 2.079 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001112397045 1410896221 /nfs/dbraw/zinc/89/62/21/1410896221.db2.gz QGTNZKAAOZBFGZ-QKLQHJQFSA-N 2 1 340.471 2.002 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)[C@@H]2CC)CC1 ZINC001087839338 782350744 /nfs/dbraw/zinc/35/07/44/782350744.db2.gz VIEOWWZYVJEMFA-RBUKOAKNSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104595686 762021846 /nfs/dbraw/zinc/02/18/46/762021846.db2.gz YLMXHZRMBAZQTI-DJIMGWMZSA-N 2 1 330.476 2.014 20 30 EEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001167235885 757544558 /nfs/dbraw/zinc/54/45/58/757544558.db2.gz BRMBETKHNUWUFS-MRXNPFEDSA-N 2 1 330.476 2.206 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087313905 761597853 /nfs/dbraw/zinc/59/78/53/761597853.db2.gz BQHFFKPYFABCNM-ZACQAIPSSA-N 2 1 331.504 2.264 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCC(=C)C)CC1 ZINC000948450020 782602814 /nfs/dbraw/zinc/60/28/14/782602814.db2.gz ZFKJXUQWPBYDMB-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCC(=C)C)CC1 ZINC000948450020 782602822 /nfs/dbraw/zinc/60/28/22/782602822.db2.gz ZFKJXUQWPBYDMB-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC(=C)C)CC1 ZINC000948450020 782602834 /nfs/dbraw/zinc/60/28/34/782602834.db2.gz ZFKJXUQWPBYDMB-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC(=C)C)CC1 ZINC000948450020 782602838 /nfs/dbraw/zinc/60/28/38/782602838.db2.gz ZFKJXUQWPBYDMB-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089510115 770042624 /nfs/dbraw/zinc/04/26/24/770042624.db2.gz MTIDFZQQNOARBG-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980192082 774032627 /nfs/dbraw/zinc/03/26/27/774032627.db2.gz JVVCGKNPEIKAEE-GVDBMIGSSA-N 2 1 330.476 2.409 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC000980192082 774032631 /nfs/dbraw/zinc/03/26/31/774032631.db2.gz JVVCGKNPEIKAEE-GVDBMIGSSA-N 2 1 330.476 2.409 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCCC)C[C@@H]3C2)CC1 ZINC000980257923 774203255 /nfs/dbraw/zinc/20/32/55/774203255.db2.gz VRDGBUZVOOBEMU-HSALFYBXSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)CC[NH+](C)C)c1ccccc1O2 ZINC001111531804 790358491 /nfs/dbraw/zinc/35/84/91/790358491.db2.gz IXONNERSDGYOLS-FXAWDEMLSA-N 2 1 343.471 2.209 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)cc1 ZINC001027971559 775434685 /nfs/dbraw/zinc/43/46/85/775434685.db2.gz HJRMQPNZWOBLEO-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001027971559 775434690 /nfs/dbraw/zinc/43/46/90/775434690.db2.gz HJRMQPNZWOBLEO-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001027971559 775434694 /nfs/dbraw/zinc/43/46/94/775434694.db2.gz HJRMQPNZWOBLEO-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CN1CCCC[C@H]1C(=O)NC[C@H]1CCCN1CC#Cc1ccccc1 ZINC001027971943 775449294 /nfs/dbraw/zinc/44/92/94/775449294.db2.gz OCWPOEYSDKWOOP-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH]ccc-2n1 ZINC001089825265 777110723 /nfs/dbraw/zinc/11/07/23/777110723.db2.gz ASVLHIKBVPURQZ-MCNSXXNHSA-N 2 1 348.450 2.369 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CN2CCCC2)on1 ZINC001028140168 778369065 /nfs/dbraw/zinc/36/90/65/778369065.db2.gz XMVMEVZTGMHDAR-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028140168 778369073 /nfs/dbraw/zinc/36/90/73/778369073.db2.gz XMVMEVZTGMHDAR-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028140168 778369081 /nfs/dbraw/zinc/36/90/81/778369081.db2.gz XMVMEVZTGMHDAR-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041439347 779885612 /nfs/dbraw/zinc/88/56/12/779885612.db2.gz DMJYBTLYOMWJRB-KRWDZBQOSA-N 2 1 337.895 2.292 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041439347 779885616 /nfs/dbraw/zinc/88/56/16/779885616.db2.gz DMJYBTLYOMWJRB-KRWDZBQOSA-N 2 1 337.895 2.292 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946808130 783537205 /nfs/dbraw/zinc/53/72/05/783537205.db2.gz JZSLCAYDTVITTF-HDICACEKSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]2C1 ZINC000946808130 783537214 /nfs/dbraw/zinc/53/72/14/783537214.db2.gz JZSLCAYDTVITTF-HDICACEKSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035188603 784069326 /nfs/dbraw/zinc/06/93/26/784069326.db2.gz GNGIHJIPUPVSCO-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035188603 784069334 /nfs/dbraw/zinc/06/93/34/784069334.db2.gz GNGIHJIPUPVSCO-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035188603 784069345 /nfs/dbraw/zinc/06/93/45/784069345.db2.gz GNGIHJIPUPVSCO-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233811 784147267 /nfs/dbraw/zinc/14/72/67/784147267.db2.gz NBTOKRBGMONDQS-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001005893810 788723498 /nfs/dbraw/zinc/72/34/98/788723498.db2.gz ZZYZAQVBSWXUFF-MRXNPFEDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(OC)c1 ZINC000923376157 789458848 /nfs/dbraw/zinc/45/88/48/789458848.db2.gz UVLONBNRJKWUIZ-KBAYOESNSA-N 2 1 348.487 2.080 20 30 EEEDMP C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1CCC[NH3+] ZINC000923389291 789485246 /nfs/dbraw/zinc/48/52/46/789485246.db2.gz NVYPZUAEZWHNLB-SZVBFZGTSA-N 2 1 331.460 2.137 20 30 EEEDMP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707172 791442245 /nfs/dbraw/zinc/44/22/45/791442245.db2.gz OFVKKAXWIOIJTI-QZTJIDSGSA-N 2 1 347.503 2.194 20 30 EEEDMP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707172 791442249 /nfs/dbraw/zinc/44/22/49/791442249.db2.gz OFVKKAXWIOIJTI-QZTJIDSGSA-N 2 1 347.503 2.194 20 30 EEEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001148292678 792330715 /nfs/dbraw/zinc/33/07/15/792330715.db2.gz POVNESHCRHLPEE-QZTJIDSGSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292678 792330725 /nfs/dbraw/zinc/33/07/25/792330725.db2.gz POVNESHCRHLPEE-QZTJIDSGSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292678 792330740 /nfs/dbraw/zinc/33/07/40/792330740.db2.gz POVNESHCRHLPEE-QZTJIDSGSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942514 793035468 /nfs/dbraw/zinc/03/54/68/793035468.db2.gz UHNSMLSFYYGGFP-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC000992191722 793161102 /nfs/dbraw/zinc/16/11/02/793161102.db2.gz RPLSFAYEMFEPLE-ILZDJORESA-N 2 1 342.487 2.443 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC000992191722 793161112 /nfs/dbraw/zinc/16/11/12/793161112.db2.gz RPLSFAYEMFEPLE-ILZDJORESA-N 2 1 342.487 2.443 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992311767 793628953 /nfs/dbraw/zinc/62/89/53/793628953.db2.gz BRGNOUGMRVGKRY-AZUAARDMSA-N 2 1 325.456 2.108 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000999390240 794402071 /nfs/dbraw/zinc/40/20/71/794402071.db2.gz FNOVETFOJOFSIV-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000999390240 794402075 /nfs/dbraw/zinc/40/20/75/794402075.db2.gz FNOVETFOJOFSIV-UXHICEINSA-N 2 1 339.483 2.173 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000999976753 795126062 /nfs/dbraw/zinc/12/60/62/795126062.db2.gz ZTHJMJJXLGAIBX-HZPDHXFCSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001093384169 795127549 /nfs/dbraw/zinc/12/75/49/795127549.db2.gz UISVKTMGIVOOES-LJQANCHMSA-N 2 1 342.487 2.471 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001093384169 795127554 /nfs/dbraw/zinc/12/75/54/795127554.db2.gz UISVKTMGIVOOES-LJQANCHMSA-N 2 1 342.487 2.471 20 30 EEEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC001093400332 795178430 /nfs/dbraw/zinc/17/84/30/795178430.db2.gz RKWQHROJLFGVNA-FDYSRKEFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099199998 795240190 /nfs/dbraw/zinc/24/01/90/795240190.db2.gz UQOPJNBYRCZRMT-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902322 796439978 /nfs/dbraw/zinc/43/99/78/796439978.db2.gz IYXONHUYPABLMX-UYAOXDASSA-N 2 1 339.483 2.308 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993570488 796828590 /nfs/dbraw/zinc/82/85/90/796828590.db2.gz HNBSUIHCTZONJO-WBVHZDCISA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078725998 796885841 /nfs/dbraw/zinc/88/58/41/796885841.db2.gz QALHYNMPRPNJAR-CABCVRRESA-N 2 1 339.911 2.488 20 30 EEEDMP C[C@@H](CCCC#N)[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001172498937 797009640 /nfs/dbraw/zinc/00/96/40/797009640.db2.gz PKTRKQUMMLQFOE-INIZCTEOSA-N 2 1 333.480 2.249 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993818420 797047678 /nfs/dbraw/zinc/04/76/78/797047678.db2.gz FTIJAGRTJPSBKW-APWZRJJASA-N 2 1 327.472 2.007 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994001407 797246588 /nfs/dbraw/zinc/24/65/88/797246588.db2.gz CPPLTSLSYGUCFX-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173423272 797443164 /nfs/dbraw/zinc/44/31/64/797443164.db2.gz HZWMOCKPKQDHQG-QGZVFWFLSA-N 2 1 340.471 2.094 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082558139 797587775 /nfs/dbraw/zinc/58/77/75/797587775.db2.gz ATZRFMXKRQZTIL-FVQBIDKESA-N 2 1 327.900 2.438 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C/C=C/Cl)[C@H]2C)CC1 ZINC000994494841 798094087 /nfs/dbraw/zinc/09/40/87/798094087.db2.gz FVDPCSTWVHDSAL-SKLZBEMCSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C/C=C/Cl)[C@H]2C)CC1 ZINC000994494841 798094092 /nfs/dbraw/zinc/09/40/92/798094092.db2.gz FVDPCSTWVHDSAL-SKLZBEMCSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)C)[C@@H]2C)CC1 ZINC000994504680 798103804 /nfs/dbraw/zinc/10/38/04/798103804.db2.gz XWGLXKUVCIZRIK-MJGOQNOKSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089383413 798283684 /nfs/dbraw/zinc/28/36/84/798283684.db2.gz YGEIACDHXHOSEF-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383413 798283689 /nfs/dbraw/zinc/28/36/89/798283689.db2.gz YGEIACDHXHOSEF-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383413 798283694 /nfs/dbraw/zinc/28/36/94/798283694.db2.gz YGEIACDHXHOSEF-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176758420 798570996 /nfs/dbraw/zinc/57/09/96/798570996.db2.gz BKDOOZRVIBGMTE-MSOLQXFVSA-N 2 1 339.524 2.328 20 30 EEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820077 798585186 /nfs/dbraw/zinc/58/51/86/798585186.db2.gz INQSNTSVJNNTAI-SFHVURJKSA-N 2 1 329.488 2.406 20 30 EEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820077 798585188 /nfs/dbraw/zinc/58/51/88/798585188.db2.gz INQSNTSVJNNTAI-SFHVURJKSA-N 2 1 329.488 2.406 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001178045950 799231543 /nfs/dbraw/zinc/23/15/43/799231543.db2.gz ZXXDINMKWMJCRP-IBGZPJMESA-N 2 1 342.487 2.419 20 30 EEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001179394955 799889524 /nfs/dbraw/zinc/88/95/24/799889524.db2.gz ALDONAXKONWVMP-QGZVFWFLSA-N 2 1 330.476 2.043 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085781865 801244561 /nfs/dbraw/zinc/24/45/61/801244561.db2.gz HHLMMHZJHRZKMQ-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781865 801244567 /nfs/dbraw/zinc/24/45/67/801244567.db2.gz HHLMMHZJHRZKMQ-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781865 801244571 /nfs/dbraw/zinc/24/45/71/801244571.db2.gz HHLMMHZJHRZKMQ-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004457423 802118304 /nfs/dbraw/zinc/11/83/04/802118304.db2.gz KQFSXIIQPIRTIV-RTBURBONSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCF)CC1 ZINC001004457382 802118539 /nfs/dbraw/zinc/11/85/39/802118539.db2.gz KNKZLRVTVCIVFP-OALUTQOASA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCF)CC1 ZINC001004457382 802118543 /nfs/dbraw/zinc/11/85/43/802118543.db2.gz KNKZLRVTVCIVFP-OALUTQOASA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCCF)CC1 ZINC001004457382 802118546 /nfs/dbraw/zinc/11/85/46/802118546.db2.gz KNKZLRVTVCIVFP-OALUTQOASA-N 2 1 349.494 2.147 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCCF)CC1 ZINC001004457382 802118548 /nfs/dbraw/zinc/11/85/48/802118548.db2.gz KNKZLRVTVCIVFP-OALUTQOASA-N 2 1 349.494 2.147 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642288 802550130 /nfs/dbraw/zinc/55/01/30/802550130.db2.gz CKHXXBWFEWJULP-YRPNKDGESA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642288 802550134 /nfs/dbraw/zinc/55/01/34/802550134.db2.gz CKHXXBWFEWJULP-YRPNKDGESA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642288 802550139 /nfs/dbraw/zinc/55/01/39/802550139.db2.gz CKHXXBWFEWJULP-YRPNKDGESA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001108259100 802632493 /nfs/dbraw/zinc/63/24/93/802632493.db2.gz YWDXAVQSJMRXFX-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001108259100 802632498 /nfs/dbraw/zinc/63/24/98/802632498.db2.gz YWDXAVQSJMRXFX-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001108259100 802632502 /nfs/dbraw/zinc/63/25/02/802632502.db2.gz YWDXAVQSJMRXFX-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001108259100 802632509 /nfs/dbraw/zinc/63/25/09/802632509.db2.gz YWDXAVQSJMRXFX-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809510 804085852 /nfs/dbraw/zinc/08/58/52/804085852.db2.gz IESOJBIYLLPPSW-AZUAARDMSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001108835780 804579742 /nfs/dbraw/zinc/57/97/42/804579742.db2.gz BKGBGYOIKIBMSH-ZCNNSNEGSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001108835780 804579746 /nfs/dbraw/zinc/57/97/46/804579746.db2.gz BKGBGYOIKIBMSH-ZCNNSNEGSA-N 2 1 339.483 2.111 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130430772 811629030 /nfs/dbraw/zinc/62/90/30/811629030.db2.gz IFINQDXOCPUVKX-WBVHZDCISA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CCCC[NH+](C)C)C1 ZINC001130444148 811650653 /nfs/dbraw/zinc/65/06/53/811650653.db2.gz ZWWWSPDQTKEFLW-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001440398414 1093580142 /nfs/dbraw/zinc/58/01/42/1093580142.db2.gz RQEJJRWCJWWJTQ-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001448973120 1093977406 /nfs/dbraw/zinc/97/74/06/1093977406.db2.gz DTGPPWZLJYQAPM-ZIAGYGMSSA-N 2 1 346.313 2.206 20 30 EEEDMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccccc1C#N ZINC001441890886 1096026021 /nfs/dbraw/zinc/02/60/21/1096026021.db2.gz IHICNYVDVZUBDR-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccccc1C#N ZINC001441890886 1096026033 /nfs/dbraw/zinc/02/60/33/1096026033.db2.gz IHICNYVDVZUBDR-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000491769461 246142771 /nfs/dbraw/zinc/14/27/71/246142771.db2.gz KHRPPFUONKHEOZ-OAHLLOKOSA-N 2 1 328.378 2.154 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000491769461 246142777 /nfs/dbraw/zinc/14/27/77/246142777.db2.gz KHRPPFUONKHEOZ-OAHLLOKOSA-N 2 1 328.378 2.154 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)s1 ZINC000487746984 285249563 /nfs/dbraw/zinc/24/95/63/285249563.db2.gz DXIBDFLKHCLDOR-CQSZACIVSA-N 2 1 334.489 2.108 20 30 EEEDMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C#N)cc1 ZINC000344181786 161205288 /nfs/dbraw/zinc/20/52/88/161205288.db2.gz ZRHLFVCLBHLQDT-OAHLLOKOSA-N 2 1 328.460 2.152 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1cccc(C#N)c1 ZINC000374419982 167038997 /nfs/dbraw/zinc/03/89/97/167038997.db2.gz JULMSAHLAZLUPY-NZSAHSFTSA-N 2 1 329.444 2.121 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOc1cccc(C#N)c1 ZINC000374419982 167038999 /nfs/dbraw/zinc/03/89/99/167038999.db2.gz JULMSAHLAZLUPY-NZSAHSFTSA-N 2 1 329.444 2.121 20 30 EEEDMP N#Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000266150824 274106580 /nfs/dbraw/zinc/10/65/80/274106580.db2.gz KMAMFRBNRNEVHN-VQIMIIECSA-N 2 1 325.412 2.124 20 30 EEEDMP C=CCOc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1OC ZINC000105477089 463453882 /nfs/dbraw/zinc/45/38/82/463453882.db2.gz AVSULZFCCOGTLB-UHFFFAOYSA-N 2 1 347.503 2.377 20 30 EEEDMP CCCn1ccnc1CCC[N@@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000277138255 463886730 /nfs/dbraw/zinc/88/67/30/463886730.db2.gz IXGYTQBZHIWDPE-INIZCTEOSA-N 2 1 333.480 2.166 20 30 EEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000277138255 463886739 /nfs/dbraw/zinc/88/67/39/463886739.db2.gz IXGYTQBZHIWDPE-INIZCTEOSA-N 2 1 333.480 2.166 20 30 EEEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000277601647 463922234 /nfs/dbraw/zinc/92/22/34/463922234.db2.gz WXXRPFPIDBKPSJ-KRWDZBQOSA-N 2 1 330.476 2.159 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000264095057 464282174 /nfs/dbraw/zinc/28/21/74/464282174.db2.gz LVKGDVJNMLHTJS-HNNXBMFYSA-N 2 1 348.491 2.373 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC2CCCC2)nc1 ZINC000264110646 464283091 /nfs/dbraw/zinc/28/30/91/464283091.db2.gz QSLKUMGKFYBGQZ-INIZCTEOSA-N 2 1 345.491 2.292 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NC(=O)C(C)C)cc1 ZINC000264153323 464288405 /nfs/dbraw/zinc/28/84/05/464288405.db2.gz ZVZSISLRHKNUPC-KRWDZBQOSA-N 2 1 345.491 2.170 20 30 EEEDMP C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000272832609 464690030 /nfs/dbraw/zinc/69/00/30/464690030.db2.gz IEONBQRCGOXEOO-AWEZNQCLSA-N 2 1 333.457 2.432 20 30 EEEDMP CCN(CCC#N)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274829509 464756500 /nfs/dbraw/zinc/75/65/00/464756500.db2.gz LRDSQYPDTPBOIH-MJGOQNOKSA-N 2 1 342.487 2.249 20 30 EEEDMP CCN(CCC#N)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274829509 464756507 /nfs/dbraw/zinc/75/65/07/464756507.db2.gz LRDSQYPDTPBOIH-MJGOQNOKSA-N 2 1 342.487 2.249 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000298658407 465463248 /nfs/dbraw/zinc/46/32/48/465463248.db2.gz HLAJFIPZFXGMHL-HKUYNNGSSA-N 2 1 348.535 2.469 20 30 EEEDMP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000329939962 465480570 /nfs/dbraw/zinc/48/05/70/465480570.db2.gz FWZZXJYWRXMDBX-WFASDCNBSA-N 2 1 330.436 2.405 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)C(C)C ZINC000343444308 465517229 /nfs/dbraw/zinc/51/72/29/465517229.db2.gz NESUZOCCWIAOCQ-SFHVURJKSA-N 2 1 334.508 2.246 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(CC#N)c2)CC1 ZINC000517650873 468092303 /nfs/dbraw/zinc/09/23/03/468092303.db2.gz VZZXOIXQBABXRT-UHFFFAOYSA-N 2 1 335.411 2.152 20 30 EEEDMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C#N ZINC000593315542 468936428 /nfs/dbraw/zinc/93/64/28/468936428.db2.gz LEVNTQUOGCCKQO-JENIJYKNSA-N 2 1 329.444 2.285 20 30 EEEDMP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000265038042 535965428 /nfs/dbraw/zinc/96/54/28/535965428.db2.gz MJGAEPKCDOAWCZ-CYBMUJFWSA-N 2 1 346.500 2.321 20 30 EEEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000265038042 535965433 /nfs/dbraw/zinc/96/54/33/535965433.db2.gz MJGAEPKCDOAWCZ-CYBMUJFWSA-N 2 1 346.500 2.321 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000730098970 576714908 /nfs/dbraw/zinc/71/49/08/576714908.db2.gz VBYFPFHSRJSZIZ-UXHICEINSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000730098970 576714912 /nfs/dbraw/zinc/71/49/12/576714912.db2.gz VBYFPFHSRJSZIZ-UXHICEINSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000730098970 576714914 /nfs/dbraw/zinc/71/49/14/576714914.db2.gz VBYFPFHSRJSZIZ-UXHICEINSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000730098970 576714916 /nfs/dbraw/zinc/71/49/16/576714916.db2.gz VBYFPFHSRJSZIZ-UXHICEINSA-N 2 1 339.483 2.112 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000764473303 577736977 /nfs/dbraw/zinc/73/69/77/577736977.db2.gz RJCGWVNXAMZJPI-UHFFFAOYSA-N 2 1 329.488 2.271 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000971778430 676789326 /nfs/dbraw/zinc/78/93/26/676789326.db2.gz NXDFRXQMVKKRGL-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000971778430 676789329 /nfs/dbraw/zinc/78/93/29/676789329.db2.gz NXDFRXQMVKKRGL-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)C(C)C ZINC000891939756 677721133 /nfs/dbraw/zinc/72/11/33/677721133.db2.gz DUKWSQYVBTVFLM-KSZLIROESA-N 2 1 334.508 2.031 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001022596755 677976438 /nfs/dbraw/zinc/97/64/38/677976438.db2.gz SJXSSTUOKZIFOI-STEAMIEHSA-N 2 1 340.471 2.025 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557145 682994924 /nfs/dbraw/zinc/99/49/24/682994924.db2.gz FCLYREGYCCKEPT-LPHOPBHVSA-N 2 1 327.472 2.212 20 30 EEEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC000992752438 683384084 /nfs/dbraw/zinc/38/40/84/683384084.db2.gz SAMZRSDGAJMYCH-IXDOHACOSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC000983902136 683749387 /nfs/dbraw/zinc/74/93/87/683749387.db2.gz RXVKUOVKBAXMMQ-SZMVWBNQSA-N 2 1 345.512 2.139 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC000983902136 683749390 /nfs/dbraw/zinc/74/93/90/683749390.db2.gz RXVKUOVKBAXMMQ-SZMVWBNQSA-N 2 1 345.512 2.139 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975038916 686061739 /nfs/dbraw/zinc/06/17/39/686061739.db2.gz LRGRYFWGHNIVDV-DOTOQJQBSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975038916 686061747 /nfs/dbraw/zinc/06/17/47/686061747.db2.gz LRGRYFWGHNIVDV-DOTOQJQBSA-N 2 1 330.476 2.157 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001029844223 687306146 /nfs/dbraw/zinc/30/61/46/687306146.db2.gz YSDCQZLONUSWKN-MOPGFXCFSA-N 2 1 342.487 2.179 20 30 EEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000985666768 687433383 /nfs/dbraw/zinc/43/33/83/687433383.db2.gz KVDBDCIAUFYYHW-HUUCEWRRSA-N 2 1 336.867 2.199 20 30 EEEDMP C=C(Cl)CN(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000985666768 687433389 /nfs/dbraw/zinc/43/33/89/687433389.db2.gz KVDBDCIAUFYYHW-HUUCEWRRSA-N 2 1 336.867 2.199 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC000978524116 693657526 /nfs/dbraw/zinc/65/75/26/693657526.db2.gz GMKYVKUZJXOELN-OWZKRDHZSA-N 2 1 341.499 2.274 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]c(C)nc4C3)[C@@H]2C1 ZINC001075969230 1188439452 /nfs/dbraw/zinc/43/94/52/1188439452.db2.gz UHNGOZJUNBMVLG-JTDSTZFVSA-N 2 1 342.487 2.322 20 30 EEEDMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001005179915 1194668258 /nfs/dbraw/zinc/66/82/58/1194668258.db2.gz OZQZIZPPKVCUHW-KRWDZBQOSA-N 2 1 346.500 2.137 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033898742 1195467058 /nfs/dbraw/zinc/46/70/58/1195467058.db2.gz YVXOUEOAJKBWOB-KRWDZBQOSA-N 2 1 339.443 2.380 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001033934999 1195543929 /nfs/dbraw/zinc/54/39/29/1195543929.db2.gz BAHGIZVDTDJLAQ-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033934999 1195543932 /nfs/dbraw/zinc/54/39/32/1195543932.db2.gz BAHGIZVDTDJLAQ-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033934999 1195543934 /nfs/dbraw/zinc/54/39/34/1195543934.db2.gz BAHGIZVDTDJLAQ-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP CC#CCN1CC[C@@H](N(CC)C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001034005751 1195649248 /nfs/dbraw/zinc/64/92/48/1195649248.db2.gz WNDANPIPCDBKDB-LJQANCHMSA-N 2 1 336.439 2.432 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034208222 1195946728 /nfs/dbraw/zinc/94/67/28/1195946728.db2.gz SDVPSGRYQSDTKL-HZPDHXFCSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034208222 1195946731 /nfs/dbraw/zinc/94/67/31/1195946731.db2.gz SDVPSGRYQSDTKL-HZPDHXFCSA-N 2 1 325.884 2.051 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001034537809 1196359689 /nfs/dbraw/zinc/35/96/89/1196359689.db2.gz DLKDACXMBXTANU-ZWKOTPCHSA-N 2 1 337.483 2.050 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001086711771 1199041369 /nfs/dbraw/zinc/04/13/69/1199041369.db2.gz ASFKDFVCJSJYID-ARFHVFGLSA-N 2 1 327.900 2.488 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132411392 1199681657 /nfs/dbraw/zinc/68/16/57/1199681657.db2.gz ZDARCUQIMXBZTA-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132411392 1199681659 /nfs/dbraw/zinc/68/16/59/1199681659.db2.gz ZDARCUQIMXBZTA-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132411392 1199681663 /nfs/dbraw/zinc/68/16/63/1199681663.db2.gz ZDARCUQIMXBZTA-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCCC)C2)CC1 ZINC001132518791 1199802869 /nfs/dbraw/zinc/80/28/69/1199802869.db2.gz OGHBCMAJIMBMSC-PKOBYXMFSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)cc(C[NH+](C)C)c2)C1=O ZINC001274492314 1205056810 /nfs/dbraw/zinc/05/68/10/1205056810.db2.gz KOYNWPXZVYBCJI-HXUWFJFHSA-N 2 1 343.446 2.087 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)cc(C[NH+](C)C)c2)C1=O ZINC001274492314 1205056812 /nfs/dbraw/zinc/05/68/12/1205056812.db2.gz KOYNWPXZVYBCJI-HXUWFJFHSA-N 2 1 343.446 2.087 20 30 EEEDMP C=CCCCC[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001274974817 1205222985 /nfs/dbraw/zinc/22/29/85/1205222985.db2.gz PBAWDLZZRUBJPD-GBESFXJTSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cc1 ZINC001275960517 1205604128 /nfs/dbraw/zinc/60/41/28/1205604128.db2.gz XJQHBZWIGIFPCZ-KDURUIRLSA-N 2 1 329.488 2.462 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cocn4)C[C@H]3CC2)cc1C#N ZINC001276237999 1205848456 /nfs/dbraw/zinc/84/84/56/1205848456.db2.gz BREDQGUAVAJUBS-CALCHBBNSA-N 2 1 339.443 2.229 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cocn4)C[C@H]3CC2)cc1C#N ZINC001276237999 1205848458 /nfs/dbraw/zinc/84/84/58/1205848458.db2.gz BREDQGUAVAJUBS-CALCHBBNSA-N 2 1 339.443 2.229 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4cocn4)C[C@H]3CC2)cc1C#N ZINC001276237999 1205848460 /nfs/dbraw/zinc/84/84/60/1205848460.db2.gz BREDQGUAVAJUBS-CALCHBBNSA-N 2 1 339.443 2.229 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001110934877 1206315314 /nfs/dbraw/zinc/31/53/14/1206315314.db2.gz PWVZTPBUFWOBRO-MANSERQUSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001110934877 1206315316 /nfs/dbraw/zinc/31/53/16/1206315316.db2.gz PWVZTPBUFWOBRO-MANSERQUSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001110934877 1206315318 /nfs/dbraw/zinc/31/53/18/1206315318.db2.gz PWVZTPBUFWOBRO-MANSERQUSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948710377 1209316460 /nfs/dbraw/zinc/31/64/60/1209316460.db2.gz APNZYKIKCKVGSJ-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710377 1209316462 /nfs/dbraw/zinc/31/64/62/1209316462.db2.gz APNZYKIKCKVGSJ-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710377 1209316466 /nfs/dbraw/zinc/31/64/66/1209316466.db2.gz APNZYKIKCKVGSJ-RBUKOAKNSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726655 1209329601 /nfs/dbraw/zinc/32/96/01/1209329601.db2.gz WZFWBGUDAUDTTF-KRWDZBQOSA-N 2 1 331.460 2.291 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770719 1209363396 /nfs/dbraw/zinc/36/33/96/1209363396.db2.gz KVJSCLBHWLZANB-ROUUACIJSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770719 1209363397 /nfs/dbraw/zinc/36/33/97/1209363397.db2.gz KVJSCLBHWLZANB-ROUUACIJSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC000957560946 1215211347 /nfs/dbraw/zinc/21/13/47/1215211347.db2.gz BDDCGVFVRWWOPL-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC000957560946 1215211349 /nfs/dbraw/zinc/21/13/49/1215211349.db2.gz BDDCGVFVRWWOPL-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961195413 1217081971 /nfs/dbraw/zinc/08/19/71/1217081971.db2.gz BNRCOVFGHGKZLR-ZWKOTPCHSA-N 2 1 336.439 2.142 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961220268 1217095144 /nfs/dbraw/zinc/09/51/44/1217095144.db2.gz KICZACFPSBFTFO-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961277058 1217123454 /nfs/dbraw/zinc/12/34/54/1217123454.db2.gz AGEJWXCNNFMQFN-IAGOWNOFSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292532 1217132034 /nfs/dbraw/zinc/13/20/34/1217132034.db2.gz JQFXRFVZGDWJBF-WOJBJXKFSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC=C)C2)CC1 ZINC000961373595 1217162966 /nfs/dbraw/zinc/16/29/66/1217162966.db2.gz IBBMWKLVWNWXOZ-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CC=C)C2)CC1 ZINC000961373595 1217162968 /nfs/dbraw/zinc/16/29/68/1217162968.db2.gz IBBMWKLVWNWXOZ-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CC=C)C2)CC1 ZINC000961373595 1217162970 /nfs/dbraw/zinc/16/29/70/1217162970.db2.gz IBBMWKLVWNWXOZ-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CC=C)C2)CC1 ZINC000961373595 1217162971 /nfs/dbraw/zinc/16/29/71/1217162971.db2.gz IBBMWKLVWNWXOZ-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961379024 1217166119 /nfs/dbraw/zinc/16/61/19/1217166119.db2.gz PPKRQVGMDIDABP-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379024 1217166121 /nfs/dbraw/zinc/16/61/21/1217166121.db2.gz PPKRQVGMDIDABP-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379024 1217166122 /nfs/dbraw/zinc/16/61/22/1217166122.db2.gz PPKRQVGMDIDABP-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961405133 1217177434 /nfs/dbraw/zinc/17/74/34/1217177434.db2.gz JALGXNLWSIJLAO-AZUAARDMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961405133 1217177435 /nfs/dbraw/zinc/17/74/35/1217177435.db2.gz JALGXNLWSIJLAO-AZUAARDMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961405133 1217177436 /nfs/dbraw/zinc/17/74/36/1217177436.db2.gz JALGXNLWSIJLAO-AZUAARDMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961433191 1217188084 /nfs/dbraw/zinc/18/80/84/1217188084.db2.gz UKSRIRSYKMPXIU-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961433191 1217188087 /nfs/dbraw/zinc/18/80/87/1217188087.db2.gz UKSRIRSYKMPXIU-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961433191 1217188089 /nfs/dbraw/zinc/18/80/89/1217188089.db2.gz UKSRIRSYKMPXIU-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963327950 1217522620 /nfs/dbraw/zinc/52/26/20/1217522620.db2.gz JJJDNCJMVGSCKQ-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963365773 1217561644 /nfs/dbraw/zinc/56/16/44/1217561644.db2.gz HTGFZODFLKNJHS-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963393946 1217591506 /nfs/dbraw/zinc/59/15/06/1217591506.db2.gz ZXPHRRGECBGHAI-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016631499 1226706707 /nfs/dbraw/zinc/70/67/07/1226706707.db2.gz SSLMRKCIFCKCCM-ARFHVFGLSA-N 2 1 339.911 2.440 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001020250806 1229583056 /nfs/dbraw/zinc/58/30/56/1229583056.db2.gz RUEXFBCZSSLRDC-UFYCRDLUSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001020250806 1229583060 /nfs/dbraw/zinc/58/30/60/1229583060.db2.gz RUEXFBCZSSLRDC-UFYCRDLUSA-N 2 1 339.483 2.138 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230101 1230463154 /nfs/dbraw/zinc/46/31/54/1230463154.db2.gz PLCARGUPFSKFES-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230101 1230463157 /nfs/dbraw/zinc/46/31/57/1230463157.db2.gz PLCARGUPFSKFES-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040232775 1231120163 /nfs/dbraw/zinc/12/01/63/1231120163.db2.gz UEGBKAAHMAUOQU-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040232775 1231120166 /nfs/dbraw/zinc/12/01/66/1231120166.db2.gz UEGBKAAHMAUOQU-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040232775 1231120170 /nfs/dbraw/zinc/12/01/70/1231120170.db2.gz UEGBKAAHMAUOQU-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240494 1231125067 /nfs/dbraw/zinc/12/50/67/1231125067.db2.gz HDFOIFISPBPODR-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240494 1231125071 /nfs/dbraw/zinc/12/50/71/1231125071.db2.gz HDFOIFISPBPODR-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240494 1231125073 /nfs/dbraw/zinc/12/50/73/1231125073.db2.gz HDFOIFISPBPODR-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040356227 1231185048 /nfs/dbraw/zinc/18/50/48/1231185048.db2.gz GVFBDVOWTPEXJA-FQEVSTJZSA-N 2 1 343.471 2.293 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040497030 1231263517 /nfs/dbraw/zinc/26/35/17/1231263517.db2.gz POSQMDCBYWNVFA-IBGZPJMESA-N 2 1 331.504 2.363 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357664 1231519172 /nfs/dbraw/zinc/51/91/72/1231519172.db2.gz IBKHVXMDUHMSBF-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357664 1231519174 /nfs/dbraw/zinc/51/91/74/1231519174.db2.gz IBKHVXMDUHMSBF-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357664 1231519176 /nfs/dbraw/zinc/51/91/76/1231519176.db2.gz IBKHVXMDUHMSBF-QUCCMNQESA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041845348 1231728950 /nfs/dbraw/zinc/72/89/50/1231728950.db2.gz WWBMWCYFVRBQGF-NRFANRHFSA-N 2 1 339.483 2.310 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042308559 1232019339 /nfs/dbraw/zinc/01/93/39/1232019339.db2.gz WMBLQNZIBDTIMS-QUCCMNQESA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001045073392 1233485654 /nfs/dbraw/zinc/48/56/54/1233485654.db2.gz FIYITJXZPCFYCU-HKUYNNGSSA-N 2 1 343.446 2.004 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001045073392 1233485656 /nfs/dbraw/zinc/48/56/56/1233485656.db2.gz FIYITJXZPCFYCU-HKUYNNGSSA-N 2 1 343.446 2.004 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001045093044 1233497093 /nfs/dbraw/zinc/49/70/93/1233497093.db2.gz LESOKZQZAFLMKL-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[NH+]1CCC(C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001045603811 1233851089 /nfs/dbraw/zinc/85/10/89/1233851089.db2.gz UPVXKDDNDHHBFG-UHFFFAOYSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045940946 1234198097 /nfs/dbraw/zinc/19/80/97/1234198097.db2.gz GASVRHMBYMYKSC-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045940946 1234198098 /nfs/dbraw/zinc/19/80/98/1234198098.db2.gz GASVRHMBYMYKSC-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045940946 1234198099 /nfs/dbraw/zinc/19/80/99/1234198099.db2.gz GASVRHMBYMYKSC-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961898 1234237958 /nfs/dbraw/zinc/23/79/58/1234237958.db2.gz UHTHFCBGVJAFRH-IRFCIJBXSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045961898 1234237959 /nfs/dbraw/zinc/23/79/59/1234237959.db2.gz UHTHFCBGVJAFRH-IRFCIJBXSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045961898 1234237963 /nfs/dbraw/zinc/23/79/63/1234237963.db2.gz UHTHFCBGVJAFRH-IRFCIJBXSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970314 1234253612 /nfs/dbraw/zinc/25/36/12/1234253612.db2.gz DNUUAVMCPFXAFJ-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977741 1234264947 /nfs/dbraw/zinc/26/49/47/1234264947.db2.gz HOCAIKWZRDRGDH-NRFANRHFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045984653 1234279390 /nfs/dbraw/zinc/27/93/90/1234279390.db2.gz GAQGFOCSMAIBRZ-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045984653 1234279393 /nfs/dbraw/zinc/27/93/93/1234279393.db2.gz GAQGFOCSMAIBRZ-IBGZPJMESA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577474 1234957402 /nfs/dbraw/zinc/95/74/02/1234957402.db2.gz YGVDVBDAXCMWNP-VQIMIIECSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577474 1234957407 /nfs/dbraw/zinc/95/74/07/1234957407.db2.gz YGVDVBDAXCMWNP-VQIMIIECSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC001046849892 1235247070 /nfs/dbraw/zinc/24/70/70/1235247070.db2.gz LOBAKNQJEPXWPV-IBGZPJMESA-N 2 1 345.512 2.174 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048912210 1239234439 /nfs/dbraw/zinc/23/44/39/1239234439.db2.gz GFYDJTAVPFFLNX-IXDOHACOSA-N 2 1 339.911 2.250 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC001000154968 1240005297 /nfs/dbraw/zinc/00/52/97/1240005297.db2.gz QCMNSFQISDFBDM-IEBWSBKVSA-N 2 1 343.515 2.245 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001001265387 1241938073 /nfs/dbraw/zinc/93/80/73/1241938073.db2.gz SEDNKVSKGSHZOM-KRWDZBQOSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049764663 1242127097 /nfs/dbraw/zinc/12/70/97/1242127097.db2.gz VHKUAYRAWFMEOU-IAGOWNOFSA-N 2 1 328.460 2.095 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049764663 1242127108 /nfs/dbraw/zinc/12/71/08/1242127108.db2.gz VHKUAYRAWFMEOU-IAGOWNOFSA-N 2 1 328.460 2.095 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820684 1242305272 /nfs/dbraw/zinc/30/52/72/1242305272.db2.gz MEIDMFQQDHBZAQ-OALUTQOASA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821033 1242308155 /nfs/dbraw/zinc/30/81/55/1242308155.db2.gz QXTNCTTWIBMIHZ-RBUKOAKNSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049915196 1242687821 /nfs/dbraw/zinc/68/78/21/1242687821.db2.gz UFHFLDXZGWZUBP-XUVXKRRUSA-N 2 1 339.483 2.378 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049915196 1242687831 /nfs/dbraw/zinc/68/78/31/1242687831.db2.gz UFHFLDXZGWZUBP-XUVXKRRUSA-N 2 1 339.483 2.378 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050140237 1242965965 /nfs/dbraw/zinc/96/59/65/1242965965.db2.gz KJUGTBPSCPTSNQ-QKLQHJQFSA-N 2 1 349.494 2.145 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050140237 1242965971 /nfs/dbraw/zinc/96/59/71/1242965971.db2.gz KJUGTBPSCPTSNQ-QKLQHJQFSA-N 2 1 349.494 2.145 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050140237 1242965978 /nfs/dbraw/zinc/96/59/78/1242965978.db2.gz KJUGTBPSCPTSNQ-QKLQHJQFSA-N 2 1 349.494 2.145 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC001050263806 1243210030 /nfs/dbraw/zinc/21/00/30/1243210030.db2.gz OHLNYBKWMVFIAJ-LPHOPBHVSA-N 2 1 327.472 2.459 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC001050263806 1243210040 /nfs/dbraw/zinc/21/00/40/1243210040.db2.gz OHLNYBKWMVFIAJ-LPHOPBHVSA-N 2 1 327.472 2.459 20 30 EEEDMP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)cccc2C1 ZINC001051288889 1245482586 /nfs/dbraw/zinc/48/25/86/1245482586.db2.gz ZAZCIHHPKXTRES-HXUWFJFHSA-N 2 1 339.483 2.167 20 30 EEEDMP C#CC[N@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C(C)C)cccc2C1 ZINC001051288889 1245482587 /nfs/dbraw/zinc/48/25/87/1245482587.db2.gz ZAZCIHHPKXTRES-HXUWFJFHSA-N 2 1 339.483 2.167 20 30 EEEDMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C(C)C)cccc2C1 ZINC001051288889 1245482588 /nfs/dbraw/zinc/48/25/88/1245482588.db2.gz ZAZCIHHPKXTRES-HXUWFJFHSA-N 2 1 339.483 2.167 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)O2 ZINC001053605834 1246522760 /nfs/dbraw/zinc/52/27/60/1246522760.db2.gz MTCHKEKXQBBXPO-MSOLQXFVSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)CO2 ZINC001053803276 1246810517 /nfs/dbraw/zinc/81/05/17/1246810517.db2.gz OTTYSLCLXGNCGV-KRWDZBQOSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053830028 1246860505 /nfs/dbraw/zinc/86/05/05/1246860505.db2.gz PFIYGYQAGAHMOI-ROUUACIJSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053830028 1246860515 /nfs/dbraw/zinc/86/05/15/1246860515.db2.gz PFIYGYQAGAHMOI-ROUUACIJSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC001052458239 1247333572 /nfs/dbraw/zinc/33/35/72/1247333572.db2.gz AJGRDUKYZMNDOV-ROUUACIJSA-N 2 1 345.512 2.316 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001052458239 1247333584 /nfs/dbraw/zinc/33/35/84/1247333584.db2.gz AJGRDUKYZMNDOV-ROUUACIJSA-N 2 1 345.512 2.316 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC001052458239 1247333594 /nfs/dbraw/zinc/33/35/94/1247333594.db2.gz AJGRDUKYZMNDOV-ROUUACIJSA-N 2 1 345.512 2.316 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC001052458239 1247333608 /nfs/dbraw/zinc/33/36/08/1247333608.db2.gz AJGRDUKYZMNDOV-ROUUACIJSA-N 2 1 345.512 2.316 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](C/C=C/Cl)C2)C1 ZINC001054147555 1247524288 /nfs/dbraw/zinc/52/42/88/1247524288.db2.gz UKECLBDSAGFRNG-DLJXPNBZSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](C/C=C/Cl)C2)C1 ZINC001054147555 1247524292 /nfs/dbraw/zinc/52/42/92/1247524292.db2.gz UKECLBDSAGFRNG-DLJXPNBZSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](C/C=C/Cl)C2)C1 ZINC001054147555 1247524297 /nfs/dbraw/zinc/52/42/97/1247524297.db2.gz UKECLBDSAGFRNG-DLJXPNBZSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](C/C=C/Cl)C2)C1 ZINC001054147555 1247524301 /nfs/dbraw/zinc/52/43/01/1247524301.db2.gz UKECLBDSAGFRNG-DLJXPNBZSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164926 1247581218 /nfs/dbraw/zinc/58/12/18/1247581218.db2.gz XEZDWFDXXJCDAS-HXUWFJFHSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182883 1247639493 /nfs/dbraw/zinc/63/94/93/1247639493.db2.gz TUAXFHCBPXHPHL-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182883 1247639498 /nfs/dbraw/zinc/63/94/98/1247639498.db2.gz TUAXFHCBPXHPHL-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182883 1247639507 /nfs/dbraw/zinc/63/95/07/1247639507.db2.gz TUAXFHCBPXHPHL-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072983171 1255546828 /nfs/dbraw/zinc/54/68/28/1255546828.db2.gz MSKADESZWFDWNP-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072983171 1255546830 /nfs/dbraw/zinc/54/68/30/1255546830.db2.gz MSKADESZWFDWNP-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001074880663 1257190231 /nfs/dbraw/zinc/19/02/31/1257190231.db2.gz QICJKGYGMXPXQW-NOLJZWGESA-N 2 1 336.867 2.085 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001101039475 1259602784 /nfs/dbraw/zinc/60/27/84/1259602784.db2.gz NIJGOCYAFCOKGX-UHFFFAOYSA-N 2 1 345.462 2.002 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193621867 1282603224 /nfs/dbraw/zinc/60/32/24/1282603224.db2.gz IRADQJOJPISBBK-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193621867 1282603229 /nfs/dbraw/zinc/60/32/29/1282603229.db2.gz IRADQJOJPISBBK-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193621867 1282603239 /nfs/dbraw/zinc/60/32/39/1282603239.db2.gz IRADQJOJPISBBK-KRWDZBQOSA-N 2 1 346.450 2.072 20 30 EEEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198895505 1285398416 /nfs/dbraw/zinc/39/84/16/1285398416.db2.gz SNUAMSIKPJZDFT-ROUUACIJSA-N 2 1 345.487 2.196 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)CCCO1 ZINC001201669044 1289708390 /nfs/dbraw/zinc/70/83/90/1289708390.db2.gz OKCOAXYDPQHMSF-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201811956 1289762438 /nfs/dbraw/zinc/76/24/38/1289762438.db2.gz YZBKQDRAXZNFAN-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC001202154484 1289933513 /nfs/dbraw/zinc/93/35/13/1289933513.db2.gz NLFFGZCDZUDRRD-RTBURBONSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H](OC)C1 ZINC001213713403 1296144986 /nfs/dbraw/zinc/14/49/86/1296144986.db2.gz QDJVLQFVPADCIV-QRVBRYPASA-N 2 1 345.487 2.071 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H](OC)C1 ZINC001213713403 1296144991 /nfs/dbraw/zinc/14/49/91/1296144991.db2.gz QDJVLQFVPADCIV-QRVBRYPASA-N 2 1 345.487 2.071 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H](OC)C1 ZINC001213713403 1296144996 /nfs/dbraw/zinc/14/49/96/1296144996.db2.gz QDJVLQFVPADCIV-QRVBRYPASA-N 2 1 345.487 2.071 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H](OC)C1 ZINC001213713403 1296145001 /nfs/dbraw/zinc/14/50/01/1296145001.db2.gz QDJVLQFVPADCIV-QRVBRYPASA-N 2 1 345.487 2.071 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001072916684 1296302307 /nfs/dbraw/zinc/30/23/07/1296302307.db2.gz ROYQPAKFLAALDC-GJZGRUSLSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001072916684 1296302320 /nfs/dbraw/zinc/30/23/20/1296302320.db2.gz ROYQPAKFLAALDC-GJZGRUSLSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001072916684 1296302337 /nfs/dbraw/zinc/30/23/37/1296302337.db2.gz ROYQPAKFLAALDC-GJZGRUSLSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001072916684 1296302353 /nfs/dbraw/zinc/30/23/53/1296302353.db2.gz ROYQPAKFLAALDC-GJZGRUSLSA-N 2 1 325.884 2.004 20 30 EEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024939 1296700041 /nfs/dbraw/zinc/70/00/41/1296700041.db2.gz SFNHLTRIIRIYCV-JKIFEVAISA-N 2 1 334.464 2.141 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599703 1297295057 /nfs/dbraw/zinc/29/50/57/1297295057.db2.gz LHTPOVCFKLBTFQ-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599703 1297295066 /nfs/dbraw/zinc/29/50/66/1297295066.db2.gz LHTPOVCFKLBTFQ-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599703 1297295075 /nfs/dbraw/zinc/29/50/75/1297295075.db2.gz LHTPOVCFKLBTFQ-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001073742931 1297474636 /nfs/dbraw/zinc/47/46/36/1297474636.db2.gz JFDMIKCSFFCNGE-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001073742931 1297474638 /nfs/dbraw/zinc/47/46/38/1297474638.db2.gz JFDMIKCSFFCNGE-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001073742931 1297474640 /nfs/dbraw/zinc/47/46/40/1297474640.db2.gz JFDMIKCSFFCNGE-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220344720 1298367717 /nfs/dbraw/zinc/36/77/17/1298367717.db2.gz HJXMUAAFFVXIKG-KURKYZTESA-N 2 1 341.540 2.239 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC001220868310 1298566838 /nfs/dbraw/zinc/56/68/38/1298566838.db2.gz GEIFLXCUCJLELU-CVEARBPZSA-N 2 1 333.501 2.263 20 30 EEEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+]1CCCC1 ZINC001099555687 1299216960 /nfs/dbraw/zinc/21/69/60/1299216960.db2.gz BROCSMXZJQVDOR-NMLBUPMWSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376101 1302861830 /nfs/dbraw/zinc/86/18/30/1302861830.db2.gz KOONOLBMASLGFM-NXHRZFHOSA-N 2 1 344.503 2.404 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376101 1302861839 /nfs/dbraw/zinc/86/18/39/1302861839.db2.gz KOONOLBMASLGFM-NXHRZFHOSA-N 2 1 344.503 2.404 20 30 EEEDMP CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001230112884 1303068126 /nfs/dbraw/zinc/06/81/26/1303068126.db2.gz FOMWPRNBCJXTJP-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001230112884 1303068134 /nfs/dbraw/zinc/06/81/34/1303068134.db2.gz FOMWPRNBCJXTJP-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCCC[N@@H+]1CCc2onc(C(=O)N(C)CC[NH+](CC)CC)c2C1 ZINC001277780029 1304397924 /nfs/dbraw/zinc/39/79/24/1304397924.db2.gz ZASWIULEUXNROG-UHFFFAOYSA-N 2 1 348.491 2.413 20 30 EEEDMP C=CCCC[N@H+]1CCc2onc(C(=O)N(C)CC[NH+](CC)CC)c2C1 ZINC001277780029 1304397931 /nfs/dbraw/zinc/39/79/31/1304397931.db2.gz ZASWIULEUXNROG-UHFFFAOYSA-N 2 1 348.491 2.413 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115307154 1304920453 /nfs/dbraw/zinc/92/04/53/1304920453.db2.gz ZPJKALBDZMVIFH-MANSERQUSA-N 2 1 327.472 2.302 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115307154 1304920459 /nfs/dbraw/zinc/92/04/59/1304920459.db2.gz ZPJKALBDZMVIFH-MANSERQUSA-N 2 1 327.472 2.302 20 30 EEEDMP CCOCC[NH+]1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277859208 1304939843 /nfs/dbraw/zinc/93/98/43/1304939843.db2.gz WNGNLKKMGNWHEG-UHFFFAOYSA-N 2 1 330.476 2.221 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001235280404 1305176570 /nfs/dbraw/zinc/17/65/70/1305176570.db2.gz JJUKMNLLXIDJNV-OALUTQOASA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120400651 1309510542 /nfs/dbraw/zinc/51/05/42/1309510542.db2.gz DOBZDYSLCWFOSU-ZWKOTPCHSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120400651 1309510545 /nfs/dbraw/zinc/51/05/45/1309510545.db2.gz DOBZDYSLCWFOSU-ZWKOTPCHSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120400651 1309510548 /nfs/dbraw/zinc/51/05/48/1309510548.db2.gz DOBZDYSLCWFOSU-ZWKOTPCHSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120400635 1309510609 /nfs/dbraw/zinc/51/06/09/1309510609.db2.gz DOBZDYSLCWFOSU-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120400635 1309510613 /nfs/dbraw/zinc/51/06/13/1309510613.db2.gz DOBZDYSLCWFOSU-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120400635 1309510617 /nfs/dbraw/zinc/51/06/17/1309510617.db2.gz DOBZDYSLCWFOSU-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001120470690 1309567075 /nfs/dbraw/zinc/56/70/75/1309567075.db2.gz SVNJDJJJIURCQS-RTBURBONSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001121620698 1310074095 /nfs/dbraw/zinc/07/40/95/1310074095.db2.gz RGNXWEQWUPNWHW-UHFFFAOYSA-N 2 1 346.523 2.194 20 30 EEEDMP Cc1cc(F)cc(C[N@H+](C2CC[NH2+]CC2)[C@@H]2CCN[C@H](C#N)C2)c1 ZINC001246952879 1310475762 /nfs/dbraw/zinc/47/57/62/1310475762.db2.gz ZDDPRXDLQYRVEJ-PKOBYXMFSA-N 2 1 330.451 2.332 20 30 EEEDMP Cc1cc(F)cc(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CCN[C@H](C#N)C2)c1 ZINC001246952879 1310475769 /nfs/dbraw/zinc/47/57/69/1310475769.db2.gz ZDDPRXDLQYRVEJ-PKOBYXMFSA-N 2 1 330.451 2.332 20 30 EEEDMP C=CCCCCC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150777918 1316371955 /nfs/dbraw/zinc/37/19/55/1316371955.db2.gz HLUMNFSPSKRREH-SFHVURJKSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150777918 1316371959 /nfs/dbraw/zinc/37/19/59/1316371959.db2.gz HLUMNFSPSKRREH-SFHVURJKSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150777918 1316371962 /nfs/dbraw/zinc/37/19/62/1316371962.db2.gz HLUMNFSPSKRREH-SFHVURJKSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccsc1 ZINC001153868318 1316905046 /nfs/dbraw/zinc/90/50/46/1316905046.db2.gz QXJLDROQTATGRM-WBVHZDCISA-N 2 1 333.501 2.172 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccsc1 ZINC001153868318 1316905048 /nfs/dbraw/zinc/90/50/48/1316905048.db2.gz QXJLDROQTATGRM-WBVHZDCISA-N 2 1 333.501 2.172 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccsc1 ZINC001153868318 1316905051 /nfs/dbraw/zinc/90/50/51/1316905051.db2.gz QXJLDROQTATGRM-WBVHZDCISA-N 2 1 333.501 2.172 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccsc1 ZINC001153868318 1316905052 /nfs/dbraw/zinc/90/50/52/1316905052.db2.gz QXJLDROQTATGRM-WBVHZDCISA-N 2 1 333.501 2.172 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001157887731 1318918243 /nfs/dbraw/zinc/91/82/43/1318918243.db2.gz YFQSXPAJBUIQPY-GOSISDBHSA-N 2 1 328.460 2.027 20 30 EEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001158397216 1319219829 /nfs/dbraw/zinc/21/98/29/1319219829.db2.gz KDKZZRWMVSALAP-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001158397216 1319219832 /nfs/dbraw/zinc/21/98/32/1319219832.db2.gz KDKZZRWMVSALAP-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001158397216 1319219838 /nfs/dbraw/zinc/21/98/38/1319219838.db2.gz KDKZZRWMVSALAP-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001159869079 1320009080 /nfs/dbraw/zinc/00/90/80/1320009080.db2.gz SFRNNSCRVZPZDE-FUHWJXTLSA-N 2 1 337.508 2.080 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001160274235 1320119584 /nfs/dbraw/zinc/11/95/84/1320119584.db2.gz RZPICDUGUQTRSG-GOSISDBHSA-N 2 1 328.460 2.029 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160379217 1320149222 /nfs/dbraw/zinc/14/92/22/1320149222.db2.gz DVXFNQPJDMMBQL-UHFFFAOYSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160379217 1320149225 /nfs/dbraw/zinc/14/92/25/1320149225.db2.gz DVXFNQPJDMMBQL-UHFFFAOYSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379217 1320149228 /nfs/dbraw/zinc/14/92/28/1320149228.db2.gz DVXFNQPJDMMBQL-UHFFFAOYSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379217 1320149232 /nfs/dbraw/zinc/14/92/32/1320149232.db2.gz DVXFNQPJDMMBQL-UHFFFAOYSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001161207856 1320419590 /nfs/dbraw/zinc/41/95/90/1320419590.db2.gz XABROCNUBZDTPV-GOSISDBHSA-N 2 1 342.487 2.468 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001161207856 1320419597 /nfs/dbraw/zinc/41/95/97/1320419597.db2.gz XABROCNUBZDTPV-GOSISDBHSA-N 2 1 342.487 2.468 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[N@H+](C)CC ZINC001162850657 1320974290 /nfs/dbraw/zinc/97/42/90/1320974290.db2.gz PIGDZTCLGQASCZ-UHFFFAOYSA-N 2 1 343.515 2.401 20 30 EEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001204299756 1322107351 /nfs/dbraw/zinc/10/73/51/1322107351.db2.gz FZUMOYYKMFPXCK-VQTJNVASSA-N 2 1 329.488 2.462 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461829 1323146771 /nfs/dbraw/zinc/14/67/71/1323146771.db2.gz PCLVRZVDZBZSDF-OAHLLOKOSA-N 2 1 336.867 2.341 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCCCC)CC1 ZINC001205479119 1323154066 /nfs/dbraw/zinc/15/40/66/1323154066.db2.gz ANLKGPWFXJYHHI-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCCCC)CC1 ZINC001205479119 1323154070 /nfs/dbraw/zinc/15/40/70/1323154070.db2.gz ANLKGPWFXJYHHI-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCOCc1nn(C)c2c1C[N@H+](CCC1CC[NH+](C)CC1)CC2 ZINC001207482544 1323990320 /nfs/dbraw/zinc/99/03/20/1323990320.db2.gz NJYPAOFKIBJISU-UHFFFAOYSA-N 2 1 332.492 2.213 20 30 EEEDMP COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001579185747 1344349588 /nfs/dbraw/zinc/34/95/88/1344349588.db2.gz MELBTUFROBWCHS-WDYCEAGBSA-N 2 1 329.444 2.285 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001122219053 1371952807 /nfs/dbraw/zinc/95/28/07/1371952807.db2.gz DLCWGLOKVCFENX-VCMYPUNYSA-N 2 1 349.519 2.079 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001122219053 1371952812 /nfs/dbraw/zinc/95/28/12/1371952812.db2.gz DLCWGLOKVCFENX-VCMYPUNYSA-N 2 1 349.519 2.079 20 30 EEEDMP CC(C)[C@H](C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001372897344 1376277881 /nfs/dbraw/zinc/27/78/81/1376277881.db2.gz TZAFAUPKKRTQRH-LJQANCHMSA-N 2 1 342.487 2.225 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccccc1C#N)C(=O)C[NH+](C)C1CCC1 ZINC001380981353 1381479842 /nfs/dbraw/zinc/47/98/42/1381479842.db2.gz OBXYKSJJLXUFQC-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CN(CCC[NH+](C)Cc1ccccc1C#N)C(=O)C[N@H+](C)C1CCC1 ZINC001380981353 1381479845 /nfs/dbraw/zinc/47/98/45/1381479845.db2.gz OBXYKSJJLXUFQC-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CN(CCC[NH+](C)Cc1ccccc1C#N)C(=O)C[N@@H+](C)C1CCC1 ZINC001380981353 1381479847 /nfs/dbraw/zinc/47/98/47/1381479847.db2.gz OBXYKSJJLXUFQC-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001752798212 1406417291 /nfs/dbraw/zinc/41/72/91/1406417291.db2.gz WEMKUWOETXPTRQ-MOPGFXCFSA-N 2 1 345.531 2.493 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2C#N)C1 ZINC001393392035 1390424101 /nfs/dbraw/zinc/42/41/01/1390424101.db2.gz QEJQNSRBUUPSBI-LPHOPBHVSA-N 2 1 342.487 2.227 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001752834157 1406461183 /nfs/dbraw/zinc/46/11/83/1406461183.db2.gz ORADHAWEKJVHJB-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001752834157 1406461187 /nfs/dbraw/zinc/46/11/87/1406461187.db2.gz ORADHAWEKJVHJB-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001752834157 1406461189 /nfs/dbraw/zinc/46/11/89/1406461189.db2.gz ORADHAWEKJVHJB-MSOLQXFVSA-N 2 1 333.520 2.443 20 30 EEEDMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)CCC1 ZINC001399876020 1395591094 /nfs/dbraw/zinc/59/10/94/1395591094.db2.gz WXIPPTQFELFTHR-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]21 ZINC001753874985 1406776084 /nfs/dbraw/zinc/77/60/84/1406776084.db2.gz CXOAYORWHKXADS-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001753874985 1406776088 /nfs/dbraw/zinc/77/60/88/1406776088.db2.gz CXOAYORWHKXADS-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001753874985 1406776095 /nfs/dbraw/zinc/77/60/95/1406776095.db2.gz CXOAYORWHKXADS-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP CC(C)C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401268083 1397102371 /nfs/dbraw/zinc/10/23/71/1397102371.db2.gz CNKRHIFAJNLTHV-RBUKOAKNSA-N 2 1 342.487 2.273 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001401785360 1397570065 /nfs/dbraw/zinc/57/00/65/1397570065.db2.gz SCPPQTHFFSCXPU-RDTXWAMCSA-N 2 1 348.466 2.220 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001401785360 1397570067 /nfs/dbraw/zinc/57/00/67/1397570067.db2.gz SCPPQTHFFSCXPU-RDTXWAMCSA-N 2 1 348.466 2.220 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC001425906060 1401796833 /nfs/dbraw/zinc/79/68/33/1401796833.db2.gz FNFSQVSCQGIEFT-WMLDXEAASA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCOCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351763 758106313 /nfs/dbraw/zinc/10/63/13/758106313.db2.gz LLSTWWYYKBULRW-UHFFFAOYSA-N 2 1 348.491 2.085 20 30 EEEDMP COC(=O)[C@H](CS)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001167621834 760754503 /nfs/dbraw/zinc/75/45/03/760754503.db2.gz RZEZBEXZMQIANI-ZFWWWQNUSA-N 2 1 348.472 2.234 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458842 760851736 /nfs/dbraw/zinc/85/17/36/760851736.db2.gz QSBKCWBXLMHLDT-MJGOQNOKSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104753469 765201099 /nfs/dbraw/zinc/20/10/99/765201099.db2.gz BZNXEUYVRVYPEI-GUDVDZBRSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001087998177 782745670 /nfs/dbraw/zinc/74/56/70/782745670.db2.gz VBMCYYUOIMHNLC-QYZOEREBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001087998177 782745678 /nfs/dbraw/zinc/74/56/78/782745678.db2.gz VBMCYYUOIMHNLC-QYZOEREBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001087998177 782745687 /nfs/dbraw/zinc/74/56/87/782745687.db2.gz VBMCYYUOIMHNLC-QYZOEREBSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001087998177 782745694 /nfs/dbraw/zinc/74/56/94/782745694.db2.gz VBMCYYUOIMHNLC-QYZOEREBSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040849406 770333982 /nfs/dbraw/zinc/33/39/82/770333982.db2.gz QYQXSBQRMJRXTK-OAHLLOKOSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106126 782919971 /nfs/dbraw/zinc/91/99/71/782919971.db2.gz NVRPDQQJHBDPQO-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106126 782919975 /nfs/dbraw/zinc/91/99/75/782919975.db2.gz NVRPDQQJHBDPQO-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106126 782919979 /nfs/dbraw/zinc/91/99/79/782919979.db2.gz NVRPDQQJHBDPQO-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106126 782919987 /nfs/dbraw/zinc/91/99/87/782919987.db2.gz NVRPDQQJHBDPQO-XHSDSOJGSA-N 2 1 325.884 2.004 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088107394 782922348 /nfs/dbraw/zinc/92/23/48/782922348.db2.gz VVFKXEANTBQTHL-UXHICEINSA-N 2 1 341.499 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001203454955 773517161 /nfs/dbraw/zinc/51/71/61/773517161.db2.gz BMFFFBCUWIRDFF-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980182693 774020012 /nfs/dbraw/zinc/02/00/12/774020012.db2.gz DLZWUYMVTHIABG-BZSNNMDCSA-N 2 1 342.487 2.247 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980182693 774020015 /nfs/dbraw/zinc/02/00/15/774020015.db2.gz DLZWUYMVTHIABG-BZSNNMDCSA-N 2 1 342.487 2.247 20 30 EEEDMP CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001089660833 774047051 /nfs/dbraw/zinc/04/70/51/774047051.db2.gz QGEXHGLASOIQJI-DLBZAZTESA-N 2 1 342.487 2.076 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980216939 774127988 /nfs/dbraw/zinc/12/79/88/774127988.db2.gz SMISBXCXHQJBCP-BZSNNMDCSA-N 2 1 331.504 2.265 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2ccnc2CC)[C@H](OC)C1 ZINC001212301498 775483380 /nfs/dbraw/zinc/48/33/80/775483380.db2.gz WRPHXUBGRBXFDR-GVDBMIGSSA-N 2 1 348.491 2.178 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](OC)C1 ZINC001212301498 775483391 /nfs/dbraw/zinc/48/33/91/775483391.db2.gz WRPHXUBGRBXFDR-GVDBMIGSSA-N 2 1 348.491 2.178 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](OC)C1 ZINC001212301498 775483401 /nfs/dbraw/zinc/48/34/01/775483401.db2.gz WRPHXUBGRBXFDR-GVDBMIGSSA-N 2 1 348.491 2.178 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981771927 778171713 /nfs/dbraw/zinc/17/17/13/778171713.db2.gz GIYPJSRLOYMNIL-MRXNPFEDSA-N 2 1 337.895 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981771927 778171715 /nfs/dbraw/zinc/17/17/15/778171715.db2.gz GIYPJSRLOYMNIL-MRXNPFEDSA-N 2 1 337.895 2.005 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](C)CC)C2 ZINC000981819361 778262380 /nfs/dbraw/zinc/26/23/80/778262380.db2.gz ZGDHRLOKHGARGV-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](C[C@H](C)CC)C2 ZINC000981819361 778262386 /nfs/dbraw/zinc/26/23/86/778262386.db2.gz ZGDHRLOKHGARGV-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](C[C@H](C)CC)C2 ZINC000981819361 778262389 /nfs/dbraw/zinc/26/23/89/778262389.db2.gz ZGDHRLOKHGARGV-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](C[C@H](C)CC)C2 ZINC000981819361 778262395 /nfs/dbraw/zinc/26/23/95/778262395.db2.gz ZGDHRLOKHGARGV-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164407 779185625 /nfs/dbraw/zinc/18/56/25/779185625.db2.gz MBYTXMVJTSVWJI-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC000982164407 779185629 /nfs/dbraw/zinc/18/56/29/779185629.db2.gz MBYTXMVJTSVWJI-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC000982160975 779200034 /nfs/dbraw/zinc/20/00/34/779200034.db2.gz IDRIQUVZQWRBOO-UHFFFAOYSA-N 2 1 339.483 2.310 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860598 790874326 /nfs/dbraw/zinc/87/43/26/790874326.db2.gz SVRCEJQYNJLXHZ-RVKKMQEKSA-N 2 1 325.472 2.354 20 30 EEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860598 790874334 /nfs/dbraw/zinc/87/43/34/790874334.db2.gz SVRCEJQYNJLXHZ-RVKKMQEKSA-N 2 1 325.472 2.354 20 30 EEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860598 790874347 /nfs/dbraw/zinc/87/43/47/790874347.db2.gz SVRCEJQYNJLXHZ-RVKKMQEKSA-N 2 1 325.472 2.354 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394492 781793041 /nfs/dbraw/zinc/79/30/41/781793041.db2.gz YMRYZXOCUDFNDB-HXUWFJFHSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001088316455 783485914 /nfs/dbraw/zinc/48/59/14/783485914.db2.gz ADGWIBHUSQSYBW-CRAIPNDOSA-N 2 1 345.491 2.337 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001088316455 783485920 /nfs/dbraw/zinc/48/59/20/783485920.db2.gz ADGWIBHUSQSYBW-CRAIPNDOSA-N 2 1 345.491 2.337 20 30 EEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001088316456 783486223 /nfs/dbraw/zinc/48/62/23/783486223.db2.gz ADGWIBHUSQSYBW-MAUKXSAKSA-N 2 1 345.491 2.337 20 30 EEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001088316456 783486230 /nfs/dbraw/zinc/48/62/30/783486230.db2.gz ADGWIBHUSQSYBW-MAUKXSAKSA-N 2 1 345.491 2.337 20 30 EEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035184483 784019881 /nfs/dbraw/zinc/01/98/81/784019881.db2.gz LJISTCFBIZCRNR-SFHVURJKSA-N 2 1 331.504 2.219 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035229605 784195746 /nfs/dbraw/zinc/19/57/46/784195746.db2.gz UVIUWOSDEVIGEF-HNNXBMFYSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035838244 785261803 /nfs/dbraw/zinc/26/18/03/785261803.db2.gz WBEPKRGRVDENFZ-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995914872 785837294 /nfs/dbraw/zinc/83/72/94/785837294.db2.gz GEPDSQVPRKJNKY-UONOGXRCSA-N 2 1 336.867 2.340 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996193414 786128767 /nfs/dbraw/zinc/12/87/67/786128767.db2.gz ANRNVVBQDCRKKC-SOUVJXGZSA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cncn1C ZINC001089895747 787022136 /nfs/dbraw/zinc/02/21/36/787022136.db2.gz GZTFQPICZZAECY-AITUJVMLSA-N 2 1 342.487 2.098 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587388 787778435 /nfs/dbraw/zinc/77/84/35/787778435.db2.gz NDIXDXRWJPRBGX-UYAOXDASSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646606 787996508 /nfs/dbraw/zinc/99/65/08/787996508.db2.gz MMFIBJQWZDLPSQ-WSTZPKSXSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005874071 788611123 /nfs/dbraw/zinc/61/11/23/788611123.db2.gz VJRYDQPBSLSNHH-IBGZPJMESA-N 2 1 331.504 2.340 20 30 EEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001006002481 789235075 /nfs/dbraw/zinc/23/50/75/789235075.db2.gz XBWYBTHOHZJRJH-SFHVURJKSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH2+]C)C2)c(OC)c1 ZINC000923282305 789294182 /nfs/dbraw/zinc/29/41/82/789294182.db2.gz MLISTRXBDRVYKE-QZTJIDSGSA-N 2 1 348.487 2.095 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH2+]C)C2)c(OC)c1 ZINC000923282305 789294206 /nfs/dbraw/zinc/29/42/06/789294206.db2.gz MLISTRXBDRVYKE-QZTJIDSGSA-N 2 1 348.487 2.095 20 30 EEEDMP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001146356279 791224062 /nfs/dbraw/zinc/22/40/62/791224062.db2.gz SYFXXBXLTVPYAO-UHFFFAOYSA-N 2 1 346.450 2.024 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001146592995 791362451 /nfs/dbraw/zinc/36/24/51/791362451.db2.gz LPYPIMSQGRRZGY-CABCVRRESA-N 2 1 348.466 2.410 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573163 791873533 /nfs/dbraw/zinc/87/35/33/791873533.db2.gz VATYWCCITXUWPJ-FUHWJXTLSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)CCC=C)C3)CC1 ZINC001148827934 792703718 /nfs/dbraw/zinc/70/37/18/792703718.db2.gz SDTZKVPIWSQSLT-SFHVURJKSA-N 2 1 343.515 2.221 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC000992144931 792909291 /nfs/dbraw/zinc/90/92/91/792909291.db2.gz IRBXLJDGDXFKPP-ILZDJORESA-N 2 1 342.487 2.443 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC000992144931 792909297 /nfs/dbraw/zinc/90/92/97/792909297.db2.gz IRBXLJDGDXFKPP-ILZDJORESA-N 2 1 342.487 2.443 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071313 793534161 /nfs/dbraw/zinc/53/41/61/793534161.db2.gz QDAQJQBCNFNHRU-GGPKGHCWSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071313 793534165 /nfs/dbraw/zinc/53/41/65/793534165.db2.gz QDAQJQBCNFNHRU-GGPKGHCWSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071313 793534171 /nfs/dbraw/zinc/53/41/71/793534171.db2.gz QDAQJQBCNFNHRU-GGPKGHCWSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092130951 793599096 /nfs/dbraw/zinc/59/90/96/793599096.db2.gz JWRHNLIDMXYHOK-QUCCMNQESA-N 2 1 333.520 2.465 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999405811 794420155 /nfs/dbraw/zinc/42/01/55/794420155.db2.gz JLSXFFXVNFVVKV-VNCLNFNDSA-N 2 1 340.471 2.122 20 30 EEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089944110 795004353 /nfs/dbraw/zinc/00/43/53/795004353.db2.gz YLBUXMIEFAEAAC-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089944110 795004356 /nfs/dbraw/zinc/00/43/56/795004356.db2.gz YLBUXMIEFAEAAC-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944110 795004361 /nfs/dbraw/zinc/00/43/61/795004361.db2.gz YLBUXMIEFAEAAC-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944110 795004364 /nfs/dbraw/zinc/00/43/64/795004364.db2.gz YLBUXMIEFAEAAC-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@H]21 ZINC001036835142 795340660 /nfs/dbraw/zinc/34/06/60/795340660.db2.gz VJQSRDWGNCPEBX-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036835142 795340668 /nfs/dbraw/zinc/34/06/68/795340668.db2.gz VJQSRDWGNCPEBX-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036835142 795340676 /nfs/dbraw/zinc/34/06/76/795340676.db2.gz VJQSRDWGNCPEBX-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106575224 795864293 /nfs/dbraw/zinc/86/42/93/795864293.db2.gz ZFIWWLZWIIAZKK-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430777 796222156 /nfs/dbraw/zinc/22/21/56/796222156.db2.gz WAFVQRAFKBHZNC-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430777 796222159 /nfs/dbraw/zinc/22/21/59/796222159.db2.gz WAFVQRAFKBHZNC-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430777 796222163 /nfs/dbraw/zinc/22/21/63/796222163.db2.gz WAFVQRAFKBHZNC-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171872303 796760799 /nfs/dbraw/zinc/76/07/99/796760799.db2.gz BPYZBTDRXLPFJJ-SARBKMAYSA-N 2 1 349.519 2.080 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405792 798414866 /nfs/dbraw/zinc/41/48/66/798414866.db2.gz DXINUZSRNYKHMC-CVEARBPZSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405792 798414869 /nfs/dbraw/zinc/41/48/69/798414869.db2.gz DXINUZSRNYKHMC-CVEARBPZSA-N 2 1 328.460 2.001 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001176986110 798674358 /nfs/dbraw/zinc/67/43/58/798674358.db2.gz FAYIWTDCNPTNRM-GOSISDBHSA-N 2 1 346.450 2.168 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179652541 800022574 /nfs/dbraw/zinc/02/25/74/800022574.db2.gz QJGHHVNQOXGBLU-IRXDYDNUSA-N 2 1 348.491 2.178 20 30 EEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181728909 800882183 /nfs/dbraw/zinc/88/21/83/800882183.db2.gz UFNFYQXHCKVPLH-GPMSIDNRSA-N 2 1 330.476 2.411 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001182629269 801264639 /nfs/dbraw/zinc/26/46/39/801264639.db2.gz AOEWLBSQWPRISN-SIXWZSSISA-N 2 1 330.476 2.014 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001004549377 802351774 /nfs/dbraw/zinc/35/17/74/802351774.db2.gz YOERFWNGTGKMAP-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004549377 802351783 /nfs/dbraw/zinc/35/17/83/802351783.db2.gz YOERFWNGTGKMAP-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004549377 802351790 /nfs/dbraw/zinc/35/17/90/802351790.db2.gz YOERFWNGTGKMAP-HKUYNNGSSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185216962 802401908 /nfs/dbraw/zinc/40/19/08/802401908.db2.gz SNWVWHRPHMHPIG-SJORKVTESA-N 2 1 330.476 2.104 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001004589530 802435005 /nfs/dbraw/zinc/43/50/05/802435005.db2.gz FMIKQYJPZNRXJC-HXUWFJFHSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]2C1 ZINC000946652502 802638170 /nfs/dbraw/zinc/63/81/70/802638170.db2.gz VSUWYQQTNJOZSU-CALCHBBNSA-N 2 1 336.439 2.060 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169095976 803608196 /nfs/dbraw/zinc/60/81/96/803608196.db2.gz TVZVGOFPVHJLRY-FJIDUMEYSA-N 2 1 327.472 2.106 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130398929 811610518 /nfs/dbraw/zinc/61/05/18/811610518.db2.gz IFINQDXOCPUVKX-NVXWUHKLSA-N 2 1 347.507 2.122 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438959271 1091652013 /nfs/dbraw/zinc/65/20/13/1091652013.db2.gz HZAZWLFIIZOFNB-RTBURBONSA-N 2 1 342.487 2.275 20 30 EEEDMP C[N@@H+](CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1)CC(C)(C)C ZINC001446255618 1092385221 /nfs/dbraw/zinc/38/52/21/1092385221.db2.gz ZUMKFIWHATZGMO-UHFFFAOYSA-N 2 1 348.516 2.336 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001441937068 1096131121 /nfs/dbraw/zinc/13/11/21/1096131121.db2.gz RRGDGEYTAZWNKK-RTBURBONSA-N 2 1 342.487 2.275 20 30 EEEDMP CN(CC[N@@H+](C)Cc1ccc(F)c(C#N)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001444996208 1100130480 /nfs/dbraw/zinc/13/04/80/1100130480.db2.gz UHWJOFHKSZEVTH-UHFFFAOYSA-N 2 1 346.450 2.072 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001446982245 1101699554 /nfs/dbraw/zinc/69/95/54/1101699554.db2.gz VHDKALFDHLYFTA-GASCZTMLSA-N 2 1 327.900 2.107 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001446982245 1101699558 /nfs/dbraw/zinc/69/95/58/1101699558.db2.gz VHDKALFDHLYFTA-GASCZTMLSA-N 2 1 327.900 2.107 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001446982245 1101699563 /nfs/dbraw/zinc/69/95/63/1101699563.db2.gz VHDKALFDHLYFTA-GASCZTMLSA-N 2 1 327.900 2.107 20 30 EEEDMP C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001496083766 1102031021 /nfs/dbraw/zinc/03/10/21/1102031021.db2.gz WVKHDPRWNVNTEF-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001502142329 1113614590 /nfs/dbraw/zinc/61/45/90/1113614590.db2.gz FNFCZQDRYBIBCI-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001502142329 1113614592 /nfs/dbraw/zinc/61/45/92/1113614592.db2.gz FNFCZQDRYBIBCI-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001502142329 1113614597 /nfs/dbraw/zinc/61/45/97/1113614597.db2.gz FNFCZQDRYBIBCI-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602211 781921144 /nfs/dbraw/zinc/92/11/44/781921144.db2.gz FCJYKUDPWBACCB-IPMKNSEASA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602211 781921154 /nfs/dbraw/zinc/92/11/54/781921154.db2.gz FCJYKUDPWBACCB-IPMKNSEASA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087602211 781921162 /nfs/dbraw/zinc/92/11/62/781921162.db2.gz FCJYKUDPWBACCB-IPMKNSEASA-N 2 1 331.504 2.386 20 30 EEEDMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181728116 323353744 /nfs/dbraw/zinc/35/37/44/323353744.db2.gz ZXNLTOIAEPPXRG-LJQANCHMSA-N 2 1 326.488 2.454 20 30 EEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351496021 465185046 /nfs/dbraw/zinc/18/50/46/465185046.db2.gz QVJACLQKQPYSQS-NXNVCVFFSA-N 2 1 333.501 2.320 20 30 EEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351496021 465185053 /nfs/dbraw/zinc/18/50/53/465185053.db2.gz QVJACLQKQPYSQS-NXNVCVFFSA-N 2 1 333.501 2.320 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccsc1Br ZINC000261665130 463820178 /nfs/dbraw/zinc/82/01/78/463820178.db2.gz FXZSQUXPIJMFQY-LLVKDONJSA-N 2 1 345.310 2.399 20 30 EEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261976753 463916805 /nfs/dbraw/zinc/91/68/05/463916805.db2.gz NWTPJIUYRKNAPQ-OAHLLOKOSA-N 2 1 340.475 2.036 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCN(c2ccccc2)CC1 ZINC000279957154 464171302 /nfs/dbraw/zinc/17/13/02/464171302.db2.gz IJIGFUNSOVKZAE-IBGZPJMESA-N 2 1 343.519 2.292 20 30 EEEDMP CC1CCN(C(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000303256729 466228218 /nfs/dbraw/zinc/22/82/18/466228218.db2.gz IOUCAUUBYFNVEM-QGZVFWFLSA-N 2 1 344.503 2.454 20 30 EEEDMP CC1CCN(C(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000303256729 466228223 /nfs/dbraw/zinc/22/82/23/466228223.db2.gz IOUCAUUBYFNVEM-QGZVFWFLSA-N 2 1 344.503 2.454 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C#N)CC(C)C)CC2)CC1 ZINC000594287421 468543197 /nfs/dbraw/zinc/54/31/97/468543197.db2.gz WNVQXUAUQVUFPD-QGZVFWFLSA-N 2 1 334.508 2.237 20 30 EEEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c1 ZINC000560815503 468848695 /nfs/dbraw/zinc/84/86/95/468848695.db2.gz DUBNMLKCEPTMSN-UHFFFAOYSA-N 2 1 334.427 2.342 20 30 EEEDMP Cc1cc(NCC[N@H+](C)C(C)C)c(C#N)c(NCC[NH+](C)C(C)C)n1 ZINC000596111208 469159203 /nfs/dbraw/zinc/15/92/03/469159203.db2.gz XLDKVGGSWFLLRS-UHFFFAOYSA-N 2 1 346.523 2.766 20 30 EEEDMP Cc1cc(NCC[NH+](C)C(C)C)c(C#N)c(NCC[N@H+](C)C(C)C)n1 ZINC000596111208 469159210 /nfs/dbraw/zinc/15/92/10/469159210.db2.gz XLDKVGGSWFLLRS-UHFFFAOYSA-N 2 1 346.523 2.766 20 30 EEEDMP Cc1cc(NCC[NH+](C)C(C)C)c(C#N)c(NCC[N@@H+](C)C(C)C)n1 ZINC000596111208 469159215 /nfs/dbraw/zinc/15/92/15/469159215.db2.gz XLDKVGGSWFLLRS-UHFFFAOYSA-N 2 1 346.523 2.766 20 30 EEEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610370267 470008253 /nfs/dbraw/zinc/00/82/53/470008253.db2.gz QHNUKLGMSMOPBK-OALUTQOASA-N 2 1 345.487 2.299 20 30 EEEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610370267 470008257 /nfs/dbraw/zinc/00/82/57/470008257.db2.gz QHNUKLGMSMOPBK-OALUTQOASA-N 2 1 345.487 2.299 20 30 EEEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610370267 470008259 /nfs/dbraw/zinc/00/82/59/470008259.db2.gz QHNUKLGMSMOPBK-OALUTQOASA-N 2 1 345.487 2.299 20 30 EEEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610370267 470008262 /nfs/dbraw/zinc/00/82/62/470008262.db2.gz QHNUKLGMSMOPBK-OALUTQOASA-N 2 1 345.487 2.299 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(=C)C)CC1 ZINC001021469526 676117776 /nfs/dbraw/zinc/11/77/76/676117776.db2.gz FUWVLBLGYGOMAL-IHWFROFDSA-N 2 1 343.515 2.409 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039249894 676266534 /nfs/dbraw/zinc/26/65/34/676266534.db2.gz FNYIMBURIWYHRI-RTBURBONSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021667389 676321549 /nfs/dbraw/zinc/32/15/49/676321549.db2.gz DFSAEBPJXKLBDY-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](C(C)C)CC[C@H]32)CC1 ZINC001021738956 676397194 /nfs/dbraw/zinc/39/71/94/676397194.db2.gz FWDPQBMAISNUIE-RTBURBONSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739787 676398155 /nfs/dbraw/zinc/39/81/55/676398155.db2.gz NDNUGGUZKVJMEK-RTBURBONSA-N 2 1 331.504 2.199 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971800488 676812007 /nfs/dbraw/zinc/81/20/07/676812007.db2.gz KCECELYSCYWXEB-WMLDXEAASA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971800488 676812009 /nfs/dbraw/zinc/81/20/09/676812009.db2.gz KCECELYSCYWXEB-WMLDXEAASA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971800488 676812011 /nfs/dbraw/zinc/81/20/11/676812011.db2.gz KCECELYSCYWXEB-WMLDXEAASA-N 2 1 346.500 2.137 20 30 EEEDMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC000972266184 678468422 /nfs/dbraw/zinc/46/84/22/678468422.db2.gz QAVVYBXPDHPROO-RTBURBONSA-N 2 1 342.487 2.177 20 30 EEEDMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC000972266184 678468426 /nfs/dbraw/zinc/46/84/26/678468426.db2.gz QAVVYBXPDHPROO-RTBURBONSA-N 2 1 342.487 2.177 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972336283 678565275 /nfs/dbraw/zinc/56/52/75/678565275.db2.gz VSDKNOHKLQWNLR-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972336283 678565277 /nfs/dbraw/zinc/56/52/77/678565277.db2.gz VSDKNOHKLQWNLR-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972336283 678565281 /nfs/dbraw/zinc/56/52/81/678565281.db2.gz VSDKNOHKLQWNLR-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001028604180 681362077 /nfs/dbraw/zinc/36/20/77/681362077.db2.gz RFHOEZHVSKUZPJ-WMZOPIPTSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001028604180 681362082 /nfs/dbraw/zinc/36/20/82/681362082.db2.gz RFHOEZHVSKUZPJ-WMZOPIPTSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001028604180 681362087 /nfs/dbraw/zinc/36/20/87/681362087.db2.gz RFHOEZHVSKUZPJ-WMZOPIPTSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2csc(C)c2)C1 ZINC001028604180 681362090 /nfs/dbraw/zinc/36/20/90/681362090.db2.gz RFHOEZHVSKUZPJ-WMZOPIPTSA-N 2 1 345.512 2.092 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2csc(C)c2)C1 ZINC001028604180 681362095 /nfs/dbraw/zinc/36/20/95/681362095.db2.gz RFHOEZHVSKUZPJ-WMZOPIPTSA-N 2 1 345.512 2.092 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024734315 681396368 /nfs/dbraw/zinc/39/63/68/681396368.db2.gz VMYWZETYZAOSFY-GOSISDBHSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024734315 681396373 /nfs/dbraw/zinc/39/63/73/681396373.db2.gz VMYWZETYZAOSFY-GOSISDBHSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024817997 681471776 /nfs/dbraw/zinc/47/17/76/681471776.db2.gz DJBWFIBUWBKIRX-MRXNPFEDSA-N 2 1 331.460 2.339 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024817997 681471779 /nfs/dbraw/zinc/47/17/79/681471779.db2.gz DJBWFIBUWBKIRX-MRXNPFEDSA-N 2 1 331.460 2.339 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261231 682354011 /nfs/dbraw/zinc/35/40/11/682354011.db2.gz UHVANWJNNFAXCH-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)Cc3cn4c(n3)CCCC4)CCC[C@@H]12 ZINC000990814811 693908461 /nfs/dbraw/zinc/90/84/61/693908461.db2.gz JGERTMHKRKXYTG-VQIMIIECSA-N 2 1 328.460 2.061 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985327386 686329413 /nfs/dbraw/zinc/32/94/13/686329413.db2.gz GIYVAQTZMLRHDA-KRWDZBQOSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985327386 686329419 /nfs/dbraw/zinc/32/94/19/686329419.db2.gz GIYVAQTZMLRHDA-KRWDZBQOSA-N 2 1 346.500 2.137 20 30 EEEDMP C[NH+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000985327386 686329430 /nfs/dbraw/zinc/32/94/30/686329430.db2.gz GIYVAQTZMLRHDA-KRWDZBQOSA-N 2 1 346.500 2.137 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CC(C)C2)CC1 ZINC000985475023 686982321 /nfs/dbraw/zinc/98/23/21/686982321.db2.gz JHPQYXMKSPPCRD-TVPLGVNVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CC(C)C2)CC1 ZINC000985475023 686982324 /nfs/dbraw/zinc/98/23/24/686982324.db2.gz JHPQYXMKSPPCRD-TVPLGVNVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2CC(C)C2)CC1 ZINC000985475023 686982327 /nfs/dbraw/zinc/98/23/27/686982327.db2.gz JHPQYXMKSPPCRD-TVPLGVNVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2CC(C)C2)CC1 ZINC000985475023 686982329 /nfs/dbraw/zinc/98/23/29/686982329.db2.gz JHPQYXMKSPPCRD-TVPLGVNVSA-N 2 1 331.504 2.053 20 30 EEEDMP C[N@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027332094 687513959 /nfs/dbraw/zinc/51/39/59/687513959.db2.gz LDGXBGBERKIGPE-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027332094 687513964 /nfs/dbraw/zinc/51/39/64/687513964.db2.gz LDGXBGBERKIGPE-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027332094 687513967 /nfs/dbraw/zinc/51/39/67/687513967.db2.gz LDGXBGBERKIGPE-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027332094 687513971 /nfs/dbraw/zinc/51/39/71/687513971.db2.gz LDGXBGBERKIGPE-MOPGFXCFSA-N 2 1 340.471 2.075 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC000979109857 694188147 /nfs/dbraw/zinc/18/81/47/694188147.db2.gz BETPYXPSKUXTQK-NNZMDNLPSA-N 2 1 343.471 2.052 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001027578458 693200886 /nfs/dbraw/zinc/20/08/86/693200886.db2.gz KVQKSJWLTJAYBR-OALUTQOASA-N 2 1 342.487 2.321 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001027578458 693200889 /nfs/dbraw/zinc/20/08/89/693200889.db2.gz KVQKSJWLTJAYBR-OALUTQOASA-N 2 1 342.487 2.321 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001027631504 693665099 /nfs/dbraw/zinc/66/50/99/693665099.db2.gz UVQWUKMPFGOJGW-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001027631504 693665102 /nfs/dbraw/zinc/66/51/02/693665102.db2.gz UVQWUKMPFGOJGW-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028216 1193332940 /nfs/dbraw/zinc/33/29/40/1193332940.db2.gz FYTFJGWNDWPZBX-QFBILLFUSA-N 2 1 327.472 2.212 20 30 EEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001088381964 1186750005 /nfs/dbraw/zinc/75/00/05/1186750005.db2.gz QQEJVBCDWDYXEB-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)C(C)(C)[N@H+](C)CC)CCO2 ZINC001105474919 1188042181 /nfs/dbraw/zinc/04/21/81/1188042181.db2.gz SKVUIMPJYPXGII-UHFFFAOYSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)[C@H]1C ZINC001088823873 1188594570 /nfs/dbraw/zinc/59/45/70/1188594570.db2.gz HGJTXWHRLNGOTH-HFTRVMKXSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088823873 1188594572 /nfs/dbraw/zinc/59/45/72/1188594572.db2.gz HGJTXWHRLNGOTH-HFTRVMKXSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088823873 1188594573 /nfs/dbraw/zinc/59/45/73/1188594573.db2.gz HGJTXWHRLNGOTH-HFTRVMKXSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001486124252 1193688753 /nfs/dbraw/zinc/68/87/53/1193688753.db2.gz NJLMLMWYIKQZPJ-SJLPKXTDSA-N 2 1 349.906 2.492 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418099 1194541150 /nfs/dbraw/zinc/54/11/50/1194541150.db2.gz ZRMPILLEUAXXRF-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418099 1194541153 /nfs/dbraw/zinc/54/11/53/1194541153.db2.gz ZRMPILLEUAXXRF-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC[C@H](C)F)C2)CC1 ZINC001034045495 1195697093 /nfs/dbraw/zinc/69/70/93/1195697093.db2.gz JWYSRSCRSAFKDT-FUHWJXTLSA-N 2 1 337.483 2.003 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248821 1195982999 /nfs/dbraw/zinc/98/29/99/1195982999.db2.gz FYKZFLIYEPUYDB-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248821 1195983000 /nfs/dbraw/zinc/98/30/00/1195983000.db2.gz FYKZFLIYEPUYDB-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248821 1195983002 /nfs/dbraw/zinc/98/30/02/1195983002.db2.gz FYKZFLIYEPUYDB-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034367246 1196156810 /nfs/dbraw/zinc/15/68/10/1196156810.db2.gz FSQMJBKRFZKYLN-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367246 1196156811 /nfs/dbraw/zinc/15/68/11/1196156811.db2.gz FSQMJBKRFZKYLN-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367246 1196156812 /nfs/dbraw/zinc/15/68/12/1196156812.db2.gz FSQMJBKRFZKYLN-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034367246 1196156813 /nfs/dbraw/zinc/15/68/13/1196156813.db2.gz FSQMJBKRFZKYLN-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034367246 1196156814 /nfs/dbraw/zinc/15/68/14/1196156814.db2.gz FSQMJBKRFZKYLN-IEBWSBKVSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001034539265 1196363927 /nfs/dbraw/zinc/36/39/27/1196363927.db2.gz ZVHPKYHEIVUDGB-WMZOPIPTSA-N 2 1 337.483 2.050 20 30 EEEDMP C=CCC[NH2+]C1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001202510860 1197901367 /nfs/dbraw/zinc/90/13/67/1197901367.db2.gz MZAVKTOQUSJLEV-UHFFFAOYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132173535 1199388890 /nfs/dbraw/zinc/38/88/90/1199388890.db2.gz NMEWJNZOYPBHQB-WBVHZDCISA-N 2 1 342.443 2.120 20 30 EEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000876723909 1199741278 /nfs/dbraw/zinc/74/12/78/1199741278.db2.gz ZTJMDLQOWGWOTH-IAGOWNOFSA-N 2 1 335.879 2.409 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001132737232 1199965167 /nfs/dbraw/zinc/96/51/67/1199965167.db2.gz JQMSDJGPUCTZFW-KRWDZBQOSA-N 2 1 346.450 2.025 20 30 EEEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3Cl)[C@@H]2C1 ZINC001275312810 1205306193 /nfs/dbraw/zinc/30/61/93/1205306193.db2.gz ZSTNMZTZQANIGM-MAUKXSAKSA-N 2 1 332.879 2.279 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C[C@H]1C ZINC000947723354 1208687478 /nfs/dbraw/zinc/68/74/78/1208687478.db2.gz VKNLITPEBANVKK-CVEARBPZSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000947723354 1208687480 /nfs/dbraw/zinc/68/74/80/1208687480.db2.gz VKNLITPEBANVKK-CVEARBPZSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000947723354 1208687481 /nfs/dbraw/zinc/68/74/81/1208687481.db2.gz VKNLITPEBANVKK-CVEARBPZSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001114849263 1215832409 /nfs/dbraw/zinc/83/24/09/1215832409.db2.gz MRKGLRSMYYJITG-KXTWHKPSSA-N 2 1 341.499 2.174 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCc1ccccc1 ZINC001114849263 1215832412 /nfs/dbraw/zinc/83/24/12/1215832412.db2.gz MRKGLRSMYYJITG-KXTWHKPSSA-N 2 1 341.499 2.174 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCc1ccccc1 ZINC001114849263 1215832415 /nfs/dbraw/zinc/83/24/15/1215832415.db2.gz MRKGLRSMYYJITG-KXTWHKPSSA-N 2 1 341.499 2.174 20 30 EEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000960262695 1216458262 /nfs/dbraw/zinc/45/82/62/1216458262.db2.gz PFWNEDFEBYZGBC-GUDVDZBRSA-N 2 1 327.472 2.417 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961275008 1217122740 /nfs/dbraw/zinc/12/27/40/1217122740.db2.gz SWKSMDMZSQAFTP-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961433192 1217188296 /nfs/dbraw/zinc/18/82/96/1217188296.db2.gz UKSRIRSYKMPXIU-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961433192 1217188298 /nfs/dbraw/zinc/18/82/98/1217188298.db2.gz UKSRIRSYKMPXIU-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961433192 1217188301 /nfs/dbraw/zinc/18/83/01/1217188301.db2.gz UKSRIRSYKMPXIU-UYAOXDASSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337104 1217531571 /nfs/dbraw/zinc/53/15/71/1217531571.db2.gz KTOCKEANZWYYQJ-ROUUACIJSA-N 2 1 342.487 2.079 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358171 1217552789 /nfs/dbraw/zinc/55/27/89/1217552789.db2.gz OUQZDDPLYXEOAB-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384107 1217580793 /nfs/dbraw/zinc/58/07/93/1217580793.db2.gz QIBBAAJMLJJAML-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008541285 1222916408 /nfs/dbraw/zinc/91/64/08/1222916408.db2.gz QEUQQCFJAHFWSX-LJQANCHMSA-N 2 1 327.472 2.008 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008541285 1222916411 /nfs/dbraw/zinc/91/64/11/1222916411.db2.gz QEUQQCFJAHFWSX-LJQANCHMSA-N 2 1 327.472 2.008 20 30 EEEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014630102 1226859777 /nfs/dbraw/zinc/85/97/77/1226859777.db2.gz MNLNZCAGLXCZJE-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014630102 1226859786 /nfs/dbraw/zinc/85/97/86/1226859786.db2.gz MNLNZCAGLXCZJE-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001014630102 1226859792 /nfs/dbraw/zinc/85/97/92/1226859792.db2.gz MNLNZCAGLXCZJE-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001014630102 1226859800 /nfs/dbraw/zinc/85/98/00/1226859800.db2.gz MNLNZCAGLXCZJE-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016818992 1226902910 /nfs/dbraw/zinc/90/29/10/1226902910.db2.gz IFWFBHOOALPVGQ-HNNXBMFYSA-N 2 1 339.911 2.442 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153283 1230372553 /nfs/dbraw/zinc/37/25/53/1230372553.db2.gz UWNUDHYOUMXMSW-YSIASYRMSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153283 1230372556 /nfs/dbraw/zinc/37/25/56/1230372556.db2.gz UWNUDHYOUMXMSW-YSIASYRMSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153283 1230372559 /nfs/dbraw/zinc/37/25/59/1230372559.db2.gz UWNUDHYOUMXMSW-YSIASYRMSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039165695 1230387043 /nfs/dbraw/zinc/38/70/43/1230387043.db2.gz RIPGKOLOBGYCBZ-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039165695 1230387049 /nfs/dbraw/zinc/38/70/49/1230387049.db2.gz RIPGKOLOBGYCBZ-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039165695 1230387052 /nfs/dbraw/zinc/38/70/52/1230387052.db2.gz RIPGKOLOBGYCBZ-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235687 1230468807 /nfs/dbraw/zinc/46/88/07/1230468807.db2.gz ZEDUUFYADLPKSW-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC(C)C)CC1 ZINC001040013999 1230964114 /nfs/dbraw/zinc/96/41/14/1230964114.db2.gz BUNLPDVFKGIBBO-BGYRXZFFSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241921 1231126856 /nfs/dbraw/zinc/12/68/56/1231126856.db2.gz VKUVFBDYRCVOST-FUHWJXTLSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241921 1231126860 /nfs/dbraw/zinc/12/68/60/1231126860.db2.gz VKUVFBDYRCVOST-FUHWJXTLSA-N 2 1 339.911 2.394 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040431410 1231228288 /nfs/dbraw/zinc/22/82/88/1231228288.db2.gz HTHJQGHEIQSTPL-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001041679868 1231647859 /nfs/dbraw/zinc/64/78/59/1231647859.db2.gz PHQSUWGUVLIYMM-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001041679868 1231647860 /nfs/dbraw/zinc/64/78/60/1231647860.db2.gz PHQSUWGUVLIYMM-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041679868 1231647863 /nfs/dbraw/zinc/64/78/63/1231647863.db2.gz PHQSUWGUVLIYMM-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041679868 1231647864 /nfs/dbraw/zinc/64/78/64/1231647864.db2.gz PHQSUWGUVLIYMM-WBVHZDCISA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042317099 1232025135 /nfs/dbraw/zinc/02/51/35/1232025135.db2.gz WDZPSLVALGWIOQ-CRAIPNDOSA-N 2 1 328.460 2.260 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042317099 1232025137 /nfs/dbraw/zinc/02/51/37/1232025137.db2.gz WDZPSLVALGWIOQ-CRAIPNDOSA-N 2 1 328.460 2.260 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001042376396 1232054705 /nfs/dbraw/zinc/05/47/05/1232054705.db2.gz RJQMDCMTSLGCDG-AEFFLSMTSA-N 2 1 343.471 2.291 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979839 1234269915 /nfs/dbraw/zinc/26/99/15/1234269915.db2.gz KJLQOEKCSHRELB-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045979839 1234269918 /nfs/dbraw/zinc/26/99/18/1234269918.db2.gz KJLQOEKCSHRELB-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045979839 1234269919 /nfs/dbraw/zinc/26/99/19/1234269919.db2.gz KJLQOEKCSHRELB-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001045980416 1234270923 /nfs/dbraw/zinc/27/09/23/1234270923.db2.gz YCDLFIZSCLLQKQ-HXUWFJFHSA-N 2 1 342.487 2.415 20 30 EEEDMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046941058 1235332970 /nfs/dbraw/zinc/33/29/70/1235332970.db2.gz GAERWUBIXLNQBP-HRCADAONSA-N 2 1 343.462 2.366 20 30 EEEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046941058 1235332972 /nfs/dbraw/zinc/33/29/72/1235332972.db2.gz GAERWUBIXLNQBP-HRCADAONSA-N 2 1 343.462 2.366 20 30 EEEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046941058 1235332976 /nfs/dbraw/zinc/33/29/76/1235332976.db2.gz GAERWUBIXLNQBP-HRCADAONSA-N 2 1 343.462 2.366 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047241715 1235729364 /nfs/dbraw/zinc/72/93/64/1235729364.db2.gz SWXRCUJFJUVXKI-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098043448 1249586840 /nfs/dbraw/zinc/58/68/40/1249586840.db2.gz GXWGVCHNHAZDFB-QRVBRYPASA-N 2 1 325.456 2.107 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001096364107 1237702679 /nfs/dbraw/zinc/70/26/79/1237702679.db2.gz KIDJNVWXQDAGJL-HFTRVMKXSA-N 2 1 328.460 2.449 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001096364107 1237702683 /nfs/dbraw/zinc/70/26/83/1237702683.db2.gz KIDJNVWXQDAGJL-HFTRVMKXSA-N 2 1 328.460 2.449 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583116 1238022141 /nfs/dbraw/zinc/02/21/41/1238022141.db2.gz DWACDOHKJYDAAW-FSGKZVOOSA-N 2 1 345.531 2.489 20 30 EEEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165035 1240163313 /nfs/dbraw/zinc/16/33/13/1240163313.db2.gz DWWBIARJWWPRAT-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165035 1240163317 /nfs/dbraw/zinc/16/33/17/1240163317.db2.gz DWWBIARJWWPRAT-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165035 1240163325 /nfs/dbraw/zinc/16/33/25/1240163325.db2.gz DWWBIARJWWPRAT-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049232962 1240334505 /nfs/dbraw/zinc/33/45/05/1240334505.db2.gz GMRGSMBUNCSUCM-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049232962 1240334518 /nfs/dbraw/zinc/33/45/18/1240334518.db2.gz GMRGSMBUNCSUCM-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049232962 1240334529 /nfs/dbraw/zinc/33/45/29/1240334529.db2.gz GMRGSMBUNCSUCM-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCCN1C ZINC001049558560 1241411835 /nfs/dbraw/zinc/41/18/35/1241411835.db2.gz PDWMXCNEAOFVMD-XHSDSOJGSA-N 2 1 325.884 2.289 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049768368 1242137465 /nfs/dbraw/zinc/13/74/65/1242137465.db2.gz VYGBVQXXLKKPJP-GBESFXJTSA-N 2 1 331.504 2.340 20 30 EEEDMP C=CC[N@H+](CCc1ccccc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903887150 1242330316 /nfs/dbraw/zinc/33/03/16/1242330316.db2.gz XVCMRGUEGRTESK-GOSISDBHSA-N 2 1 325.460 2.433 20 30 EEEDMP C=CC[N@@H+](CCc1ccccc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903887150 1242330324 /nfs/dbraw/zinc/33/03/24/1242330324.db2.gz XVCMRGUEGRTESK-GOSISDBHSA-N 2 1 325.460 2.433 20 30 EEEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627259 1242589103 /nfs/dbraw/zinc/58/91/03/1242589103.db2.gz KWMXMPMFOXKPOB-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627259 1242589115 /nfs/dbraw/zinc/58/91/15/1242589115.db2.gz KWMXMPMFOXKPOB-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627259 1242589120 /nfs/dbraw/zinc/58/91/20/1242589120.db2.gz KWMXMPMFOXKPOB-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913373 1242676612 /nfs/dbraw/zinc/67/66/12/1242676612.db2.gz WJUCFTLVQLQSTG-UXHICEINSA-N 2 1 339.483 2.450 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712096 1244810554 /nfs/dbraw/zinc/81/05/54/1244810554.db2.gz FHIGBPNNJQWXOW-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052712096 1244810560 /nfs/dbraw/zinc/81/05/60/1244810560.db2.gz FHIGBPNNJQWXOW-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](C)CC)CC2)CC1 ZINC001052954728 1245546379 /nfs/dbraw/zinc/54/63/79/1245546379.db2.gz QWCKIVOQBYTYHO-PKOBYXMFSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)CC2)CC1 ZINC001052954811 1245547561 /nfs/dbraw/zinc/54/75/61/1245547561.db2.gz SQKDGQLJKAISQU-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051452 1245775159 /nfs/dbraw/zinc/77/51/59/1245775159.db2.gz OUDCJKGYWDREKB-MSOLQXFVSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001101574845 1245978730 /nfs/dbraw/zinc/97/87/30/1245978730.db2.gz GMBBNTOFDWOLPW-QGZVFWFLSA-N 2 1 333.520 2.206 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)CO2 ZINC001053902657 1246989604 /nfs/dbraw/zinc/98/96/04/1246989604.db2.gz GXHHVXZDEHJRKG-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)CO2 ZINC001053902657 1246989614 /nfs/dbraw/zinc/98/96/14/1246989614.db2.gz GXHHVXZDEHJRKG-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054052354 1247242525 /nfs/dbraw/zinc/24/25/25/1247242525.db2.gz UTTPPHSHBWDIEV-HXUWFJFHSA-N 2 1 341.499 2.447 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001052458791 1247332469 /nfs/dbraw/zinc/33/24/69/1247332469.db2.gz IFSRWELWNPEVFK-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001052458791 1247332478 /nfs/dbraw/zinc/33/24/78/1247332478.db2.gz IFSRWELWNPEVFK-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001052458791 1247332488 /nfs/dbraw/zinc/33/24/88/1247332488.db2.gz IFSRWELWNPEVFK-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001052458791 1247332500 /nfs/dbraw/zinc/33/25/00/1247332500.db2.gz IFSRWELWNPEVFK-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054133534 1247484137 /nfs/dbraw/zinc/48/41/37/1247484137.db2.gz FMZSSLJUMAHGMY-ICSRJNTNSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001054146783 1247523789 /nfs/dbraw/zinc/52/37/89/1247523789.db2.gz IPBFVYXEUUWVSB-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054146783 1247523796 /nfs/dbraw/zinc/52/37/96/1247523796.db2.gz IPBFVYXEUUWVSB-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054146783 1247523806 /nfs/dbraw/zinc/52/38/06/1247523806.db2.gz IPBFVYXEUUWVSB-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154164 1247543986 /nfs/dbraw/zinc/54/39/86/1247543986.db2.gz QIKBIERIXCCTQX-NVXWUHKLSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209763 1247726156 /nfs/dbraw/zinc/72/61/56/1247726156.db2.gz XFDZJPTVJSTJPL-QUCCMNQESA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001054244914 1247857069 /nfs/dbraw/zinc/85/70/69/1247857069.db2.gz KTHPPHHMQWIQJV-NRFANRHFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001054244915 1247860226 /nfs/dbraw/zinc/86/02/26/1247860226.db2.gz KTHPPHHMQWIQJV-OAQYLSRUSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCCC[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCn1ccnc1)C2=O ZINC001276382818 1253388670 /nfs/dbraw/zinc/38/86/70/1253388670.db2.gz CLKYNMCFKVLSOX-OAQYLSRUSA-N 2 1 348.450 2.287 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001073115846 1255698623 /nfs/dbraw/zinc/69/86/23/1255698623.db2.gz BZYJKMSIMMXMMP-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073115846 1255698634 /nfs/dbraw/zinc/69/86/34/1255698634.db2.gz BZYJKMSIMMXMMP-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073115846 1255698638 /nfs/dbraw/zinc/69/86/38/1255698638.db2.gz BZYJKMSIMMXMMP-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CC2)CC1 ZINC001074102903 1256714708 /nfs/dbraw/zinc/71/47/08/1256714708.db2.gz GCWUQLKQSUXQJW-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)CC1 ZINC001098462967 1257699080 /nfs/dbraw/zinc/69/90/80/1257699080.db2.gz WQUQVAJYYLAAFV-QRVBRYPASA-N 2 1 345.531 2.489 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098960013 1257876621 /nfs/dbraw/zinc/87/66/21/1257876621.db2.gz QBVMSNAFSJRUFR-NSHGMRRFSA-N 2 1 331.504 2.408 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(CN(C)C)on3)[C@@H]2C1 ZINC001188405138 1279881880 /nfs/dbraw/zinc/88/18/80/1279881880.db2.gz ARNXZUCTIXMCTO-RLFYNMQTSA-N 2 1 346.475 2.237 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001188405138 1279881894 /nfs/dbraw/zinc/88/18/94/1279881894.db2.gz ARNXZUCTIXMCTO-RLFYNMQTSA-N 2 1 346.475 2.237 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001188405138 1279881908 /nfs/dbraw/zinc/88/19/08/1279881908.db2.gz ARNXZUCTIXMCTO-RLFYNMQTSA-N 2 1 346.475 2.237 20 30 EEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001192407210 1281977175 /nfs/dbraw/zinc/97/71/75/1281977175.db2.gz SPNHPWDGKNCTCE-LJQANCHMSA-N 2 1 329.488 2.270 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192407210 1281977180 /nfs/dbraw/zinc/97/71/80/1281977180.db2.gz SPNHPWDGKNCTCE-LJQANCHMSA-N 2 1 329.488 2.270 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192407210 1281977184 /nfs/dbraw/zinc/97/71/84/1281977184.db2.gz SPNHPWDGKNCTCE-LJQANCHMSA-N 2 1 329.488 2.270 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCO1 ZINC001201238946 1289372876 /nfs/dbraw/zinc/37/28/76/1289372876.db2.gz DUQXAJOHLDYKDU-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213075 1294350825 /nfs/dbraw/zinc/35/08/25/1294350825.db2.gz REFGMEBKNGMZIK-OAHLLOKOSA-N 2 1 328.460 2.131 20 30 EEEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213075 1294350834 /nfs/dbraw/zinc/35/08/34/1294350834.db2.gz REFGMEBKNGMZIK-OAHLLOKOSA-N 2 1 328.460 2.131 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCC(=C)C)C2)CC1 ZINC001072095416 1295235883 /nfs/dbraw/zinc/23/58/83/1295235883.db2.gz HXTFNCGUMIEWOY-IEBWSBKVSA-N 2 1 331.504 2.267 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211073555 1295666059 /nfs/dbraw/zinc/66/60/59/1295666059.db2.gz JWIMGBQYCPKWID-GDBMZVCRSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211073555 1295666070 /nfs/dbraw/zinc/66/60/70/1295666070.db2.gz JWIMGBQYCPKWID-GDBMZVCRSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102185726 1300523527 /nfs/dbraw/zinc/52/35/27/1300523527.db2.gz QIQFEDHRZFFXCF-XYPHTWIQSA-N 2 1 339.911 2.297 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001226775682 1301548210 /nfs/dbraw/zinc/54/82/10/1301548210.db2.gz WVYAXHHQLNZIJX-GUDVDZBRSA-N 2 1 349.519 2.223 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226889698 1301595493 /nfs/dbraw/zinc/59/54/93/1301595493.db2.gz AMFJFTFYDLUXLH-KZNAEPCWSA-N 2 1 337.508 2.080 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103083645 1302187264 /nfs/dbraw/zinc/18/72/64/1302187264.db2.gz BTPVMRDKIQWIHM-GUDVDZBRSA-N 2 1 333.520 2.062 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083645 1302187268 /nfs/dbraw/zinc/18/72/68/1302187268.db2.gz BTPVMRDKIQWIHM-GUDVDZBRSA-N 2 1 333.520 2.062 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083645 1302187274 /nfs/dbraw/zinc/18/72/74/1302187274.db2.gz BTPVMRDKIQWIHM-GUDVDZBRSA-N 2 1 333.520 2.062 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001103099492 1302221981 /nfs/dbraw/zinc/22/19/81/1302221981.db2.gz NZDIOCNDBDBVIW-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001103099492 1302221993 /nfs/dbraw/zinc/22/19/93/1302221993.db2.gz NZDIOCNDBDBVIW-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC(C)C)C[C@H]1C ZINC001103099492 1302221997 /nfs/dbraw/zinc/22/19/97/1302221997.db2.gz NZDIOCNDBDBVIW-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC(C)C)C[C@H]1C ZINC001103099492 1302222011 /nfs/dbraw/zinc/22/20/11/1302222011.db2.gz NZDIOCNDBDBVIW-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001229895042 1302979160 /nfs/dbraw/zinc/97/91/60/1302979160.db2.gz AKZXXGIEEVIUSS-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001229895042 1302979165 /nfs/dbraw/zinc/97/91/65/1302979165.db2.gz AKZXXGIEEVIUSS-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495897 1303035899 /nfs/dbraw/zinc/03/58/99/1303035899.db2.gz YBVXETAMVIPCAJ-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495897 1303035910 /nfs/dbraw/zinc/03/59/10/1303035910.db2.gz YBVXETAMVIPCAJ-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495897 1303035925 /nfs/dbraw/zinc/03/59/25/1303035925.db2.gz YBVXETAMVIPCAJ-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1cccnc1 ZINC001230861884 1303508982 /nfs/dbraw/zinc/50/89/82/1303508982.db2.gz UTIPBMZVFGXUQR-UHFFFAOYSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCCCC[N@@H+]1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235274838 1305173662 /nfs/dbraw/zinc/17/36/62/1305173662.db2.gz PPCVQYIUIZZBFH-CABCVRRESA-N 2 1 334.382 2.360 20 30 EEEDMP C=CCCCC[N@H+]1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235274838 1305173667 /nfs/dbraw/zinc/17/36/67/1305173667.db2.gz PPCVQYIUIZZBFH-CABCVRRESA-N 2 1 334.382 2.360 20 30 EEEDMP CC(=NNCCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000799492948 1305280967 /nfs/dbraw/zinc/28/09/67/1305280967.db2.gz ZRFNUUXYXLCOJP-HXUWFJFHSA-N 2 1 344.503 2.196 20 30 EEEDMP CC(=NNCCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000799492948 1305280975 /nfs/dbraw/zinc/28/09/75/1305280975.db2.gz ZRFNUUXYXLCOJP-HXUWFJFHSA-N 2 1 344.503 2.196 20 30 EEEDMP C=CCOc1ccc(C[N@H+]2CCC3(C[NH2+]C3)[C@@H](C(=O)OCC)C2)cc1 ZINC001237412842 1305925239 /nfs/dbraw/zinc/92/52/39/1305925239.db2.gz VMMCBUJBIKICEL-GOSISDBHSA-N 2 1 344.455 2.226 20 30 EEEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCCCC1 ZINC001120074181 1309308284 /nfs/dbraw/zinc/30/82/84/1309308284.db2.gz BJZMLUBQFRZEMU-IBGZPJMESA-N 2 1 349.519 2.084 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120430922 1309532769 /nfs/dbraw/zinc/53/27/69/1309532769.db2.gz OJGPFMIGXUWYHC-ROUUACIJSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120430922 1309532775 /nfs/dbraw/zinc/53/27/75/1309532775.db2.gz OJGPFMIGXUWYHC-ROUUACIJSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120430922 1309532780 /nfs/dbraw/zinc/53/27/80/1309532780.db2.gz OJGPFMIGXUWYHC-ROUUACIJSA-N 2 1 333.520 2.301 20 30 EEEDMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834505687 1314846228 /nfs/dbraw/zinc/84/62/28/1314846228.db2.gz MVMQRSSUIWYMBI-PMACEKPBSA-N 2 1 348.450 2.160 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070810 1316145614 /nfs/dbraw/zinc/14/56/14/1316145614.db2.gz LIFBIFVEKRWQQU-QGZVFWFLSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856115 1317766735 /nfs/dbraw/zinc/76/67/35/1317766735.db2.gz ACUANLYBBHWIJP-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856115 1317766740 /nfs/dbraw/zinc/76/67/40/1317766740.db2.gz ACUANLYBBHWIJP-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](C[NH2+][C@@H]3CC[C@@H](C#N)C3)C[C@H]2C1 ZINC001254634325 1318152513 /nfs/dbraw/zinc/15/25/13/1318152513.db2.gz BPHBSKYQMXOLLQ-VQHPVUNQSA-N 2 1 348.491 2.209 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](C[NH2+][C@@H]3CC[C@@H](C#N)C3)C[C@H]2C1 ZINC001254634325 1318152527 /nfs/dbraw/zinc/15/25/27/1318152527.db2.gz BPHBSKYQMXOLLQ-VQHPVUNQSA-N 2 1 348.491 2.209 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156967496 1318316882 /nfs/dbraw/zinc/31/68/82/1318316882.db2.gz ZKFUDHZUFLDVRH-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157108747 1318410584 /nfs/dbraw/zinc/41/05/84/1318410584.db2.gz CLYCWWFPYBBYSQ-CQSZACIVSA-N 2 1 336.505 2.287 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157108747 1318410597 /nfs/dbraw/zinc/41/05/97/1318410597.db2.gz CLYCWWFPYBBYSQ-CQSZACIVSA-N 2 1 336.505 2.287 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157108747 1318410607 /nfs/dbraw/zinc/41/06/07/1318410607.db2.gz CLYCWWFPYBBYSQ-CQSZACIVSA-N 2 1 336.505 2.287 20 30 EEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001158067234 1318993000 /nfs/dbraw/zinc/99/30/00/1318993000.db2.gz YCXVSFMQBMXJON-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158067234 1318993005 /nfs/dbraw/zinc/99/30/05/1318993005.db2.gz YCXVSFMQBMXJON-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158067234 1318993007 /nfs/dbraw/zinc/99/30/07/1318993007.db2.gz YCXVSFMQBMXJON-RTBURBONSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001160209138 1320100031 /nfs/dbraw/zinc/10/00/31/1320100031.db2.gz ABNVKNNXRGIGCV-QAPCUYQASA-N 2 1 331.435 2.080 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001160209138 1320100034 /nfs/dbraw/zinc/10/00/34/1320100034.db2.gz ABNVKNNXRGIGCV-QAPCUYQASA-N 2 1 331.435 2.080 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160499347 1320176617 /nfs/dbraw/zinc/17/66/17/1320176617.db2.gz BWZSBFFFAPRMRX-MRXNPFEDSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160499347 1320176618 /nfs/dbraw/zinc/17/66/18/1320176618.db2.gz BWZSBFFFAPRMRX-MRXNPFEDSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499347 1320176620 /nfs/dbraw/zinc/17/66/20/1320176620.db2.gz BWZSBFFFAPRMRX-MRXNPFEDSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499347 1320176622 /nfs/dbraw/zinc/17/66/22/1320176622.db2.gz BWZSBFFFAPRMRX-MRXNPFEDSA-N 2 1 325.884 2.362 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160786655 1320267573 /nfs/dbraw/zinc/26/75/73/1320267573.db2.gz BOSJXRGIUKTONE-LJQANCHMSA-N 2 1 329.488 2.023 20 30 EEEDMP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001161091004 1320382333 /nfs/dbraw/zinc/38/23/33/1320382333.db2.gz ZEHZRRBLULQATE-UHFFFAOYSA-N 2 1 339.483 2.128 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704954 1320594857 /nfs/dbraw/zinc/59/48/57/1320594857.db2.gz MJLNBHQEEPULSH-RBUKOAKNSA-N 2 1 331.504 2.269 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001162928845 1320990408 /nfs/dbraw/zinc/99/04/08/1320990408.db2.gz PQDGVZPJLUUDTJ-IBGZPJMESA-N 2 1 341.499 2.012 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CCC ZINC001162987424 1321006197 /nfs/dbraw/zinc/00/61/97/1321006197.db2.gz RFHPISFPZDBKPZ-UHFFFAOYSA-N 2 1 343.515 2.403 20 30 EEEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)Cn1cc[nH+]c1C ZINC001162997235 1321008832 /nfs/dbraw/zinc/00/88/32/1321008832.db2.gz OLBSJBSWRDNAMY-UHFFFAOYSA-N 2 1 340.471 2.429 20 30 EEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001165464596 1321530610 /nfs/dbraw/zinc/53/06/10/1321530610.db2.gz HHDMDFADDBWMAX-GOSISDBHSA-N 2 1 349.519 2.082 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426251 1325280798 /nfs/dbraw/zinc/28/07/98/1325280798.db2.gz DIYIAGBAHGZXRU-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001377416800 1379223430 /nfs/dbraw/zinc/22/34/30/1379223430.db2.gz RFPVWMLGKVXNMJ-WMLDXEAASA-N 2 1 348.516 2.287 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001377416800 1379223432 /nfs/dbraw/zinc/22/34/32/1379223432.db2.gz RFPVWMLGKVXNMJ-WMLDXEAASA-N 2 1 348.516 2.287 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391885766 1389685776 /nfs/dbraw/zinc/68/57/76/1389685776.db2.gz HEUTVFVDDZIFNB-LPHOPBHVSA-N 2 1 342.487 2.273 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001392315529 1389972001 /nfs/dbraw/zinc/97/20/01/1389972001.db2.gz RGCIHMQBEKXSQJ-MRXNPFEDSA-N 2 1 336.505 2.096 20 30 EEEDMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001392315529 1389972004 /nfs/dbraw/zinc/97/20/04/1389972004.db2.gz RGCIHMQBEKXSQJ-MRXNPFEDSA-N 2 1 336.505 2.096 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001752834159 1406460710 /nfs/dbraw/zinc/46/07/10/1406460710.db2.gz ORADHAWEKJVHJB-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001752834159 1406460717 /nfs/dbraw/zinc/46/07/17/1406460717.db2.gz ORADHAWEKJVHJB-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001752834159 1406460723 /nfs/dbraw/zinc/46/07/23/1406460723.db2.gz ORADHAWEKJVHJB-ROUUACIJSA-N 2 1 333.520 2.443 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001401507419 1397414455 /nfs/dbraw/zinc/41/44/55/1397414455.db2.gz XPVBFOUEJJUHSW-RTBURBONSA-N 2 1 342.487 2.275 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001754539067 1406922893 /nfs/dbraw/zinc/92/28/93/1406922893.db2.gz QYEBHONZUBLCOR-IBGZPJMESA-N 2 1 333.520 2.302 20 30 EEEDMP C#CC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574517797 1403521861 /nfs/dbraw/zinc/52/18/61/1403521861.db2.gz QIJYPFVJIHCEKF-FBBABVLZSA-N 2 1 339.483 2.159 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001755747651 1407806929 /nfs/dbraw/zinc/80/69/29/1407806929.db2.gz VZKHRAXYYJNUOI-RDJZCZTQSA-N 2 1 339.443 2.332 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001121232304 1410218030 /nfs/dbraw/zinc/21/80/30/1410218030.db2.gz DNGDDEUJWQDLAI-FUSSNKQKSA-N 2 1 331.504 2.005 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104291168 758128484 /nfs/dbraw/zinc/12/84/84/758128484.db2.gz KPKOZEYWKHWTQG-QRVBRYPASA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533402 770161931 /nfs/dbraw/zinc/16/19/31/770161931.db2.gz CGFBRIWTYNPHKC-SFHVURJKSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088130144 782951363 /nfs/dbraw/zinc/95/13/63/782951363.db2.gz YCYLQZLDWMZEJH-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088130144 782951369 /nfs/dbraw/zinc/95/13/69/782951369.db2.gz YCYLQZLDWMZEJH-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088130144 782951373 /nfs/dbraw/zinc/95/13/73/782951373.db2.gz YCYLQZLDWMZEJH-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)[C@@H](C)C2)CC1 ZINC000948070199 773418889 /nfs/dbraw/zinc/41/88/89/773418889.db2.gz NQKIOKGJTHSBNE-QFBILLFUSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089649167 773758065 /nfs/dbraw/zinc/75/80/65/773758065.db2.gz CPQOXCBSXWOYJB-ZWKOTPCHSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649167 773758071 /nfs/dbraw/zinc/75/80/71/773758071.db2.gz CPQOXCBSXWOYJB-ZWKOTPCHSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649167 773758075 /nfs/dbraw/zinc/75/80/75/773758075.db2.gz CPQOXCBSXWOYJB-ZWKOTPCHSA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089870022 783166780 /nfs/dbraw/zinc/16/67/80/783166780.db2.gz PLKUETWDIFKYMO-YRPNKDGESA-N 2 1 345.531 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001089851645 778035770 /nfs/dbraw/zinc/03/57/70/778035770.db2.gz XMPUDLYCDGKWTJ-VJANTYMQSA-N 2 1 331.504 2.073 20 30 EEEDMP CC#CCN1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981815195 778249940 /nfs/dbraw/zinc/24/99/40/778249940.db2.gz VBDIGDNJOHLTMX-LJQANCHMSA-N 2 1 331.504 2.341 20 30 EEEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981815195 778249944 /nfs/dbraw/zinc/24/99/44/778249944.db2.gz VBDIGDNJOHLTMX-LJQANCHMSA-N 2 1 331.504 2.341 20 30 EEEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981815195 778249949 /nfs/dbraw/zinc/24/99/49/778249949.db2.gz VBDIGDNJOHLTMX-LJQANCHMSA-N 2 1 331.504 2.341 20 30 EEEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000981815195 778249954 /nfs/dbraw/zinc/24/99/54/778249954.db2.gz VBDIGDNJOHLTMX-LJQANCHMSA-N 2 1 331.504 2.341 20 30 EEEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981815195 778249960 /nfs/dbraw/zinc/24/99/60/778249960.db2.gz VBDIGDNJOHLTMX-LJQANCHMSA-N 2 1 331.504 2.341 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981812893 778258453 /nfs/dbraw/zinc/25/84/53/778258453.db2.gz XOPRFPBYOIPZGL-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981812893 778258458 /nfs/dbraw/zinc/25/84/58/778258458.db2.gz XOPRFPBYOIPZGL-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981812893 778258461 /nfs/dbraw/zinc/25/84/61/778258461.db2.gz XOPRFPBYOIPZGL-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138910 778355764 /nfs/dbraw/zinc/35/57/64/778355764.db2.gz ZEOYAKDTALRXIY-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138910 778355770 /nfs/dbraw/zinc/35/57/70/778355770.db2.gz ZEOYAKDTALRXIY-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCCC)C3)CC1 ZINC000982162320 779181297 /nfs/dbraw/zinc/18/12/97/779181297.db2.gz ODMAJFGKNGUGDK-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982427824 780102346 /nfs/dbraw/zinc/10/23/46/780102346.db2.gz CBMNGYISIKMGLG-BGYRXZFFSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087443682 780279226 /nfs/dbraw/zinc/27/92/26/780279226.db2.gz ZLTLCYUUQOJEAA-VAMGGRTRSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087443682 780279233 /nfs/dbraw/zinc/27/92/33/780279233.db2.gz ZLTLCYUUQOJEAA-VAMGGRTRSA-N 2 1 341.499 2.489 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087443682 780279238 /nfs/dbraw/zinc/27/92/38/780279238.db2.gz ZLTLCYUUQOJEAA-VAMGGRTRSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997734174 790932718 /nfs/dbraw/zinc/93/27/18/790932718.db2.gz FKWWRBBJIADKTC-YOEHRIQHSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035220992 784097826 /nfs/dbraw/zinc/09/78/26/784097826.db2.gz YSVFEDMNUBQKSJ-UHFFFAOYSA-N 2 1 343.471 2.293 20 30 EEEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035215808 784140540 /nfs/dbraw/zinc/14/05/40/784140540.db2.gz NOIKZKMERFEVQD-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215808 784140549 /nfs/dbraw/zinc/14/05/49/784140549.db2.gz NOIKZKMERFEVQD-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215808 784140553 /nfs/dbraw/zinc/14/05/53/784140553.db2.gz NOIKZKMERFEVQD-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP N#Cc1cccc2c1CC[C@H]2Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001171060601 788244536 /nfs/dbraw/zinc/24/45/36/788244536.db2.gz HFRJQTNNZFWMHZ-QGZVFWFLSA-N 2 1 334.427 2.375 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109735657 805914688 /nfs/dbraw/zinc/91/46/88/805914688.db2.gz QWLJCKVQLAOYMP-RDGPPVDQSA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(OC)c1 ZINC000923376158 789458867 /nfs/dbraw/zinc/45/88/67/789458867.db2.gz UVLONBNRJKWUIZ-RYQLBKOJSA-N 2 1 348.487 2.080 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908991 789797580 /nfs/dbraw/zinc/79/75/80/789797580.db2.gz HZDKMCPNQTYOHH-HAGHYFMRSA-N 2 1 343.515 2.055 20 30 EEEDMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001171219582 790098904 /nfs/dbraw/zinc/09/89/04/790098904.db2.gz YYEFVXAGODFXSG-INIZCTEOSA-N 2 1 347.890 2.129 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146590851 791360186 /nfs/dbraw/zinc/36/01/86/791360186.db2.gz CEMPJLRIXGALOY-CVEARBPZSA-N 2 1 330.476 2.271 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl ZINC001171307299 791851662 /nfs/dbraw/zinc/85/16/62/791851662.db2.gz HWWBYBMUHPTAGI-WDSKNZHCSA-N 2 1 325.884 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl ZINC001171307299 791851666 /nfs/dbraw/zinc/85/16/66/791851666.db2.gz HWWBYBMUHPTAGI-WDSKNZHCSA-N 2 1 325.884 2.101 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001148893324 792764896 /nfs/dbraw/zinc/76/48/96/792764896.db2.gz BYQZVNBMMMPGGW-UHFFFAOYSA-N 2 1 327.472 2.229 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001148893324 792764900 /nfs/dbraw/zinc/76/49/00/792764900.db2.gz BYQZVNBMMMPGGW-UHFFFAOYSA-N 2 1 327.472 2.229 20 30 EEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893324 792764910 /nfs/dbraw/zinc/76/49/10/792764910.db2.gz BYQZVNBMMMPGGW-UHFFFAOYSA-N 2 1 327.472 2.229 20 30 EEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893324 792764917 /nfs/dbraw/zinc/76/49/17/792764917.db2.gz BYQZVNBMMMPGGW-UHFFFAOYSA-N 2 1 327.472 2.229 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC000992143808 792906147 /nfs/dbraw/zinc/90/61/47/792906147.db2.gz CYXFAAPPMLHXFF-WSTZPKSXSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992143808 792906157 /nfs/dbraw/zinc/90/61/57/792906157.db2.gz CYXFAAPPMLHXFF-WSTZPKSXSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992143808 792906163 /nfs/dbraw/zinc/90/61/63/792906163.db2.gz CYXFAAPPMLHXFF-WSTZPKSXSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036755153 794785524 /nfs/dbraw/zinc/78/55/24/794785524.db2.gz ROYBFQRVAPYMEW-QFBILLFUSA-N 2 1 336.439 2.202 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093374034 795108329 /nfs/dbraw/zinc/10/83/29/795108329.db2.gz XTLVCPRAPIIJSW-MOPGFXCFSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820035 795287694 /nfs/dbraw/zinc/28/76/94/795287694.db2.gz BPRRWMBKSUHBFJ-CVEARBPZSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820035 795287701 /nfs/dbraw/zinc/28/77/01/795287701.db2.gz BPRRWMBKSUHBFJ-CVEARBPZSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001093599069 795439362 /nfs/dbraw/zinc/43/93/62/795439362.db2.gz PNDFYSBUHBJCRB-UHFFFAOYSA-N 2 1 349.519 2.130 20 30 EEEDMP C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001079967633 795451019 /nfs/dbraw/zinc/45/10/19/795451019.db2.gz QPAVCBFYWLFDFU-XYPHTWIQSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC001079967633 795451026 /nfs/dbraw/zinc/45/10/26/795451026.db2.gz QPAVCBFYWLFDFU-XYPHTWIQSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318207 795881473 /nfs/dbraw/zinc/88/14/73/795881473.db2.gz KDUSPUPGJJPXSG-QRQLOZEOSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318207 795881482 /nfs/dbraw/zinc/88/14/82/795881482.db2.gz KDUSPUPGJJPXSG-QRQLOZEOSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318207 795881488 /nfs/dbraw/zinc/88/14/88/795881488.db2.gz KDUSPUPGJJPXSG-QRQLOZEOSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001112382037 796047594 /nfs/dbraw/zinc/04/75/94/796047594.db2.gz BBPXFXYATOSWAN-NSHGMRRFSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171873935 796761686 /nfs/dbraw/zinc/76/16/86/796761686.db2.gz VUCXGXCQFRBOKI-BHASAWDCSA-N 2 1 349.519 2.080 20 30 EEEDMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]21 ZINC001172991005 797201539 /nfs/dbraw/zinc/20/15/39/797201539.db2.gz TYVSBBZQFGPMLL-NCOADZHNSA-N 2 1 348.491 2.304 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994211880 797392764 /nfs/dbraw/zinc/39/27/64/797392764.db2.gz ZPOYJZACOBBDNB-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994201173 797401817 /nfs/dbraw/zinc/40/18/17/797401817.db2.gz IAQOWGAPSPMFJZ-LPHOPBHVSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001082568945 797591589 /nfs/dbraw/zinc/59/15/89/797591589.db2.gz ZPXJSIZZIDCHEX-QRQLOZEOSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001082568945 797591592 /nfs/dbraw/zinc/59/15/92/797591592.db2.gz ZPXJSIZZIDCHEX-QRQLOZEOSA-N 2 1 343.515 2.101 20 30 EEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001175287793 798049540 /nfs/dbraw/zinc/04/95/40/798049540.db2.gz GPXCYMGHMHATRM-INIZCTEOSA-N 2 1 346.475 2.172 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994482862 798078640 /nfs/dbraw/zinc/07/86/40/798078640.db2.gz FJEOFXSVEXKWAF-LPHOPBHVSA-N 2 1 327.472 2.354 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614276 798315597 /nfs/dbraw/zinc/31/55/97/798315597.db2.gz NVGHTGUZOHPNJY-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614276 798315605 /nfs/dbraw/zinc/31/56/05/798315605.db2.gz NVGHTGUZOHPNJY-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC(C)C)[C@H]2C1 ZINC001084961210 798579511 /nfs/dbraw/zinc/57/95/11/798579511.db2.gz SHUIYMYGVJUMMG-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC(C)C)[C@H]2C1 ZINC001084961210 798579515 /nfs/dbraw/zinc/57/95/15/798579515.db2.gz SHUIYMYGVJUMMG-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)C)[C@H]2C1 ZINC001084961210 798579517 /nfs/dbraw/zinc/57/95/17/798579517.db2.gz SHUIYMYGVJUMMG-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)C)[C@H]2C1 ZINC001084961210 798579522 /nfs/dbraw/zinc/57/95/22/798579522.db2.gz SHUIYMYGVJUMMG-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCn2ncc(CNC(=O)[C@@H](CC)[NH+](C)C)c2C1 ZINC001128396482 799202177 /nfs/dbraw/zinc/20/21/77/799202177.db2.gz DBRWDFQAYQXAKD-DOTOQJQBSA-N 2 1 347.507 2.010 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CCn2ncc(CNC(=O)[C@@H](CC)[NH+](C)C)c2C1 ZINC001128396482 799202181 /nfs/dbraw/zinc/20/21/81/799202181.db2.gz DBRWDFQAYQXAKD-DOTOQJQBSA-N 2 1 347.507 2.010 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@H]1C ZINC001179748870 800088072 /nfs/dbraw/zinc/08/80/72/800088072.db2.gz NGXWPZUURWIENW-ROUUACIJSA-N 2 1 339.524 2.280 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001179857062 800134913 /nfs/dbraw/zinc/13/49/13/800134913.db2.gz QESRHMOVJGUHGM-KSSFIOAISA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001180331371 800382728 /nfs/dbraw/zinc/38/27/28/800382728.db2.gz IRMTZLVDTWDURL-QZTJIDSGSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001180331371 800382735 /nfs/dbraw/zinc/38/27/35/800382735.db2.gz IRMTZLVDTWDURL-QZTJIDSGSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001182629268 801264836 /nfs/dbraw/zinc/26/48/36/801264836.db2.gz AOEWLBSQWPRISN-IDHHARJASA-N 2 1 330.476 2.014 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182614674 801278990 /nfs/dbraw/zinc/27/89/90/801278990.db2.gz MOXPVIHOKHUPMB-JJRVBVJISA-N 2 1 327.900 2.155 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083230 801509370 /nfs/dbraw/zinc/50/93/70/801509370.db2.gz ZINYRSXJDCKIHM-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592325 801680691 /nfs/dbraw/zinc/68/06/91/801680691.db2.gz HTYDOTWLIMEQCV-WCIQWLHISA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592325 801680695 /nfs/dbraw/zinc/68/06/95/801680695.db2.gz HTYDOTWLIMEQCV-WCIQWLHISA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592325 801680698 /nfs/dbraw/zinc/68/06/98/801680698.db2.gz HTYDOTWLIMEQCV-WCIQWLHISA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472230 802161932 /nfs/dbraw/zinc/16/19/32/802161932.db2.gz FLZZCUVEBZVTBC-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001004472230 802161935 /nfs/dbraw/zinc/16/19/35/802161935.db2.gz FLZZCUVEBZVTBC-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001004472230 802161939 /nfs/dbraw/zinc/16/19/39/802161939.db2.gz FLZZCUVEBZVTBC-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623996 802294710 /nfs/dbraw/zinc/29/47/10/802294710.db2.gz YARPXAWHZZVEEG-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623996 802294717 /nfs/dbraw/zinc/29/47/17/802294717.db2.gz YARPXAWHZZVEEG-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623996 802294725 /nfs/dbraw/zinc/29/47/25/802294725.db2.gz YARPXAWHZZVEEG-HSALFYBXSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004538795 802323134 /nfs/dbraw/zinc/32/31/34/802323134.db2.gz ABDZOSKAMZLZKX-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631511 802424379 /nfs/dbraw/zinc/42/43/79/802424379.db2.gz LOOZXDJFFPLKBN-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631511 802424382 /nfs/dbraw/zinc/42/43/82/802424382.db2.gz LOOZXDJFFPLKBN-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631511 802424385 /nfs/dbraw/zinc/42/43/85/802424385.db2.gz LOOZXDJFFPLKBN-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946758864 803197819 /nfs/dbraw/zinc/19/78/19/803197819.db2.gz WZDRFPDURDPSDI-KDURUIRLSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001108772282 804476201 /nfs/dbraw/zinc/47/62/01/804476201.db2.gz LTXWWIJHDMBYHH-KSZLIROESA-N 2 1 342.487 2.389 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001108772240 804476257 /nfs/dbraw/zinc/47/62/57/804476257.db2.gz KYJGREYZAPBDFT-KSZLIROESA-N 2 1 342.487 2.389 20 30 EEEDMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1cc(C#N)ccc1F ZINC001448048421 1103891580 /nfs/dbraw/zinc/89/15/80/1103891580.db2.gz WVDYNZBTKFVLDN-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1cc(C#N)ccc1F ZINC001448048421 1103891589 /nfs/dbraw/zinc/89/15/89/1103891589.db2.gz WVDYNZBTKFVLDN-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC001448048421 1103891600 /nfs/dbraw/zinc/89/16/00/1103891600.db2.gz WVDYNZBTKFVLDN-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001448048421 1103891611 /nfs/dbraw/zinc/89/16/11/1103891611.db2.gz WVDYNZBTKFVLDN-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP CN(CCC#N)C(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000131741091 529870787 /nfs/dbraw/zinc/87/07/87/529870787.db2.gz BGWNSKSWSASJQK-IBGZPJMESA-N 2 1 342.487 2.202 20 30 EEEDMP CN(CCC#N)C(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000131741091 529870788 /nfs/dbraw/zinc/87/07/88/529870788.db2.gz BGWNSKSWSASJQK-IBGZPJMESA-N 2 1 342.487 2.202 20 30 EEEDMP CN(CCC#N)C(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000131741091 529870790 /nfs/dbraw/zinc/87/07/90/529870790.db2.gz BGWNSKSWSASJQK-IBGZPJMESA-N 2 1 342.487 2.202 20 30 EEEDMP C#CC[N@@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000491730310 246129381 /nfs/dbraw/zinc/12/93/81/246129381.db2.gz KUAZZGMYAYWTNJ-UHFFFAOYSA-N 2 1 327.472 2.031 20 30 EEEDMP C#CC[N@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000491730310 246129386 /nfs/dbraw/zinc/12/93/86/246129386.db2.gz KUAZZGMYAYWTNJ-UHFFFAOYSA-N 2 1 327.472 2.031 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671692 782048081 /nfs/dbraw/zinc/04/80/81/782048081.db2.gz LLJIECMIXKVYNC-VQTJNVASSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351496020 465185943 /nfs/dbraw/zinc/18/59/43/465185943.db2.gz QVJACLQKQPYSQS-DIECFANBSA-N 2 1 333.501 2.320 20 30 EEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351496020 465185948 /nfs/dbraw/zinc/18/59/48/465185948.db2.gz QVJACLQKQPYSQS-DIECFANBSA-N 2 1 333.501 2.320 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000521576684 468321641 /nfs/dbraw/zinc/32/16/41/468321641.db2.gz OYBSZUCAXQIMMM-SFHVURJKSA-N 2 1 342.487 2.060 20 30 EEEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000268953789 463822873 /nfs/dbraw/zinc/82/28/73/463822873.db2.gz FQHZJVKNJZIKES-MOPGFXCFSA-N 2 1 328.456 2.166 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)cc1OC ZINC000277506174 463918189 /nfs/dbraw/zinc/91/81/89/463918189.db2.gz MVNMOAOAPJVBDR-MRXNPFEDSA-N 2 1 346.475 2.125 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2cc(F)ccc12 ZINC000264095035 464282555 /nfs/dbraw/zinc/28/25/55/464282555.db2.gz LVHNWYYBMTWZNH-HNNXBMFYSA-N 2 1 331.439 2.238 20 30 EEEDMP C[N@H+](CCN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1)Cc1ccccc1 ZINC000292979853 464379602 /nfs/dbraw/zinc/37/96/02/464379602.db2.gz FEPCCAJXVWIGGK-WOJBJXKFSA-N 2 1 326.488 2.428 20 30 EEEDMP C[N@@H+](CCN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1)Cc1ccccc1 ZINC000292979853 464379607 /nfs/dbraw/zinc/37/96/07/464379607.db2.gz FEPCCAJXVWIGGK-WOJBJXKFSA-N 2 1 326.488 2.428 20 30 EEEDMP CN(CCC#N)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000264798280 464470337 /nfs/dbraw/zinc/47/03/37/464470337.db2.gz ZCUJHLZHGSXMON-HXUWFJFHSA-N 2 1 344.503 2.363 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000330030704 465511953 /nfs/dbraw/zinc/51/19/53/465511953.db2.gz SAWCUEWISHIKBR-IUODEOHRSA-N 2 1 344.463 2.256 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000330030704 465511959 /nfs/dbraw/zinc/51/19/59/465511959.db2.gz SAWCUEWISHIKBR-IUODEOHRSA-N 2 1 344.463 2.256 20 30 EEEDMP C=CCOCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352871938 465563359 /nfs/dbraw/zinc/56/33/59/465563359.db2.gz VIRTXGDYOLCYGY-NRFANRHFSA-N 2 1 343.515 2.471 20 30 EEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000348407965 465587128 /nfs/dbraw/zinc/58/71/28/465587128.db2.gz XOQAHDSLVWYRDJ-ULQDDVLXSA-N 2 1 334.508 2.428 20 30 EEEDMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353423122 465871399 /nfs/dbraw/zinc/87/13/99/465871399.db2.gz DFUANQRMFNCGQC-HXUWFJFHSA-N 2 1 326.488 2.409 20 30 EEEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC1(C#N)CCC1 ZINC000530337020 467976877 /nfs/dbraw/zinc/97/68/77/467976877.db2.gz AYAXSWFCSUWOLM-HRCADAONSA-N 2 1 332.492 2.180 20 30 EEEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC1(C#N)CCC1 ZINC000530337020 467976881 /nfs/dbraw/zinc/97/68/81/467976881.db2.gz AYAXSWFCSUWOLM-HRCADAONSA-N 2 1 332.492 2.180 20 30 EEEDMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1C#N ZINC000488130754 468072994 /nfs/dbraw/zinc/07/29/94/468072994.db2.gz WGNASQRBGDXDAD-PXNSSMCTSA-N 2 1 326.488 2.325 20 30 EEEDMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1C#N ZINC000488130754 468072997 /nfs/dbraw/zinc/07/29/97/468072997.db2.gz WGNASQRBGDXDAD-PXNSSMCTSA-N 2 1 326.488 2.325 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](CC)CC2)c(OC)c1 ZINC000583376156 468687689 /nfs/dbraw/zinc/68/76/89/468687689.db2.gz AAYYVPLNVGSGJN-GOSISDBHSA-N 2 1 348.487 2.237 20 30 EEEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000595503702 468879458 /nfs/dbraw/zinc/87/94/58/468879458.db2.gz AOAAYADPAMQCIB-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000595503702 468879463 /nfs/dbraw/zinc/87/94/63/468879463.db2.gz AOAAYADPAMQCIB-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000595503702 468879469 /nfs/dbraw/zinc/87/94/69/468879469.db2.gz AOAAYADPAMQCIB-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602535591 469353779 /nfs/dbraw/zinc/35/37/79/469353779.db2.gz QOKKWIUKJIQXDP-RBUKOAKNSA-N 2 1 342.487 2.377 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)C)CC1 ZINC001021470021 676119194 /nfs/dbraw/zinc/11/91/94/676119194.db2.gz ROWVJFYEQXMWHI-YQQQUEKLSA-N 2 1 331.504 2.099 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614301 675264674 /nfs/dbraw/zinc/26/46/74/675264674.db2.gz UFNQSZZGDOTLIE-MKXGPGLRSA-N 2 1 327.472 2.145 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCCC)CC[C@H]32)CC1 ZINC001021740396 676399671 /nfs/dbraw/zinc/39/96/71/676399671.db2.gz SMXFXQIQZGXODX-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023422141 679301337 /nfs/dbraw/zinc/30/13/37/679301337.db2.gz KUXFAMFJZYUROX-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023422141 679301338 /nfs/dbraw/zinc/30/13/38/679301338.db2.gz KUXFAMFJZYUROX-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023422141 679301340 /nfs/dbraw/zinc/30/13/40/679301340.db2.gz KUXFAMFJZYUROX-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023422141 679301342 /nfs/dbraw/zinc/30/13/42/679301342.db2.gz KUXFAMFJZYUROX-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N1CCC2(C1)CCOCC2 ZINC000262804249 679553965 /nfs/dbraw/zinc/55/39/65/679553965.db2.gz RSWJOOYDRIEKDN-KRWDZBQOSA-N 2 1 336.524 2.329 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001024022331 679765244 /nfs/dbraw/zinc/76/52/44/679765244.db2.gz ULXDNKCPHLMZDE-WMZOPIPTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001024022331 679765245 /nfs/dbraw/zinc/76/52/45/679765245.db2.gz ULXDNKCPHLMZDE-WMZOPIPTSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479952 679962509 /nfs/dbraw/zinc/96/25/09/679962509.db2.gz VEJDERXIJPGGRP-RTBURBONSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028591492 681232484 /nfs/dbraw/zinc/23/24/84/681232484.db2.gz HXNZOZSSRIMHSP-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028591492 681232490 /nfs/dbraw/zinc/23/24/90/681232490.db2.gz HXNZOZSSRIMHSP-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028591492 681232495 /nfs/dbraw/zinc/23/24/95/681232495.db2.gz HXNZOZSSRIMHSP-PKOBYXMFSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617598 681282725 /nfs/dbraw/zinc/28/27/25/681282725.db2.gz KGAOKTCSEVITED-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617598 681282726 /nfs/dbraw/zinc/28/27/26/681282726.db2.gz KGAOKTCSEVITED-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617598 681282728 /nfs/dbraw/zinc/28/27/28/681282728.db2.gz KGAOKTCSEVITED-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617598 681282729 /nfs/dbraw/zinc/28/27/29/681282729.db2.gz KGAOKTCSEVITED-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982624856 681835454 /nfs/dbraw/zinc/83/54/54/681835454.db2.gz UDSUKVLPBNOURT-NRSPTQNISA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982624856 681835462 /nfs/dbraw/zinc/83/54/62/681835462.db2.gz UDSUKVLPBNOURT-NRSPTQNISA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982624856 681835472 /nfs/dbraw/zinc/83/54/72/681835472.db2.gz UDSUKVLPBNOURT-NRSPTQNISA-N 2 1 345.531 2.443 20 30 EEEDMP CN1CCN(C(=O)c2ccc(CNCC#Cc3ccccc3)cc2)CC1 ZINC000892582965 681857073 /nfs/dbraw/zinc/85/70/73/681857073.db2.gz OXHYMSAFMWLXMO-UHFFFAOYSA-N 2 1 347.462 2.216 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025274797 682377158 /nfs/dbraw/zinc/37/71/58/682377158.db2.gz NZPIPBGPYQKQDT-ZWKOTPCHSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025274797 682377161 /nfs/dbraw/zinc/37/71/61/682377161.db2.gz NZPIPBGPYQKQDT-ZWKOTPCHSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492777 682918185 /nfs/dbraw/zinc/91/81/85/682918185.db2.gz FBWOZNLWVOUUCV-HKUYNNGSSA-N 2 1 341.499 2.254 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001025528903 682959874 /nfs/dbraw/zinc/95/98/74/682959874.db2.gz XQIMURKQGLEHAV-JKSUJKDBSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001025528903 682959878 /nfs/dbraw/zinc/95/98/78/682959878.db2.gz XQIMURKQGLEHAV-JKSUJKDBSA-N 2 1 346.475 2.287 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029107662 683161348 /nfs/dbraw/zinc/16/13/48/683161348.db2.gz BVQCQKPAYYXFKB-PXNSSMCTSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029107662 683161351 /nfs/dbraw/zinc/16/13/51/683161351.db2.gz BVQCQKPAYYXFKB-PXNSSMCTSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000975065270 686092374 /nfs/dbraw/zinc/09/23/74/686092374.db2.gz STIWVORDYPPFKA-KRWDZBQOSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000975065270 686092376 /nfs/dbraw/zinc/09/23/76/686092376.db2.gz STIWVORDYPPFKA-KRWDZBQOSA-N 2 1 346.475 2.287 20 30 EEEDMP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262450603 686125576 /nfs/dbraw/zinc/12/55/76/686125576.db2.gz VYCMNNJOIAAITF-QXAKKESOSA-N 2 1 348.535 2.185 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCc1ccc(Cl)cc1 ZINC000124871651 686141967 /nfs/dbraw/zinc/14/19/67/686141967.db2.gz JGQPPICBWXTLMJ-MRXNPFEDSA-N 2 1 338.883 2.245 20 30 EEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000985759484 687635134 /nfs/dbraw/zinc/63/51/34/687635134.db2.gz SJAAIAVWBDXNSR-UHFFFAOYSA-N 2 1 336.867 2.437 20 30 EEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411273 687977307 /nfs/dbraw/zinc/97/73/07/687977307.db2.gz OCSVKMGSLKBEEO-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027411273 687977310 /nfs/dbraw/zinc/97/73/10/687977310.db2.gz OCSVKMGSLKBEEO-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027411273 687977316 /nfs/dbraw/zinc/97/73/16/687977316.db2.gz OCSVKMGSLKBEEO-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001027487424 692365238 /nfs/dbraw/zinc/36/52/38/692365238.db2.gz UCVPNVFJPOGJEO-QGZVFWFLSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541929 692788339 /nfs/dbraw/zinc/78/83/39/692788339.db2.gz DGDINJRXENBCRR-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027541929 692788343 /nfs/dbraw/zinc/78/83/43/692788343.db2.gz DGDINJRXENBCRR-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027541929 692788346 /nfs/dbraw/zinc/78/83/46/692788346.db2.gz DGDINJRXENBCRR-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577101 693160787 /nfs/dbraw/zinc/16/07/87/693160787.db2.gz DNKIQZODPWNYST-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577101 693160788 /nfs/dbraw/zinc/16/07/88/693160788.db2.gz DNKIQZODPWNYST-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978269686 693435267 /nfs/dbraw/zinc/43/52/67/693435267.db2.gz KLPXIVRCLFCPAD-AKHDSKFASA-N 2 1 331.504 2.264 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978269686 693435269 /nfs/dbraw/zinc/43/52/69/693435269.db2.gz KLPXIVRCLFCPAD-AKHDSKFASA-N 2 1 331.504 2.264 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978269686 693435273 /nfs/dbraw/zinc/43/52/73/693435273.db2.gz KLPXIVRCLFCPAD-AKHDSKFASA-N 2 1 331.504 2.264 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001482024799 1183150499 /nfs/dbraw/zinc/15/04/99/1183150499.db2.gz LADSGJDXRFDFCM-WGSAOQKQSA-N 2 1 342.487 2.417 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001088368630 1186683630 /nfs/dbraw/zinc/68/36/30/1186683630.db2.gz OLGGPUFDJUVXNX-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001088368630 1186683633 /nfs/dbraw/zinc/68/36/33/1186683633.db2.gz OLGGPUFDJUVXNX-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@@H+]1C)CCO2 ZINC001105474725 1188040438 /nfs/dbraw/zinc/04/04/38/1188040438.db2.gz QNNXWMMIFUEESG-QPIRBTGLSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105572513 1188186912 /nfs/dbraw/zinc/18/69/12/1188186912.db2.gz TYGXTDBJVUQLSR-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105574556 1188188640 /nfs/dbraw/zinc/18/86/40/1188188640.db2.gz BBWZVXRENQJESJ-QZTJIDSGSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105574558 1188188692 /nfs/dbraw/zinc/18/86/92/1188188692.db2.gz BBWZVXRENQJESJ-ZWKOTPCHSA-N 2 1 331.504 2.102 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001483733931 1190846749 /nfs/dbraw/zinc/84/67/49/1190846749.db2.gz KBGSHDPWDAIEJV-GOSISDBHSA-N 2 1 340.471 2.169 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001484983338 1191601468 /nfs/dbraw/zinc/60/14/68/1191601468.db2.gz WCCCPWDCDAHTBO-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001484983338 1191601469 /nfs/dbraw/zinc/60/14/69/1191601469.db2.gz WCCCPWDCDAHTBO-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001484983338 1191601470 /nfs/dbraw/zinc/60/14/70/1191601470.db2.gz WCCCPWDCDAHTBO-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034429713 1196212947 /nfs/dbraw/zinc/21/29/47/1196212947.db2.gz AGUYJKDHXZPQGS-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034429713 1196212951 /nfs/dbraw/zinc/21/29/51/1196212951.db2.gz AGUYJKDHXZPQGS-INIZCTEOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001034763008 1196678323 /nfs/dbraw/zinc/67/83/23/1196678323.db2.gz LVEHBQNXERNBIV-WKILWMFISA-N 2 1 325.416 2.084 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132374898 1199636412 /nfs/dbraw/zinc/63/64/12/1199636412.db2.gz AOUBDKDRYQLTIW-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132410292 1199677326 /nfs/dbraw/zinc/67/73/26/1199677326.db2.gz LEZNCKVXAVZMAL-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC#Cc2ccccc2)C1 ZINC001132410292 1199677330 /nfs/dbraw/zinc/67/73/30/1199677330.db2.gz LEZNCKVXAVZMAL-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001132410292 1199677332 /nfs/dbraw/zinc/67/73/32/1199677332.db2.gz LEZNCKVXAVZMAL-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001132410292 1199677335 /nfs/dbraw/zinc/67/73/35/1199677335.db2.gz LEZNCKVXAVZMAL-QUCCMNQESA-N 2 1 341.499 2.349 20 30 EEEDMP C#CC[N@@H+](C)CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000883131880 1202018289 /nfs/dbraw/zinc/01/82/89/1202018289.db2.gz XJCSEUFTFBYEBS-UHFFFAOYSA-N 2 1 327.331 2.241 20 30 EEEDMP C#CCN(C)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000883131880 1202018290 /nfs/dbraw/zinc/01/82/90/1202018290.db2.gz XJCSEUFTFBYEBS-UHFFFAOYSA-N 2 1 327.331 2.241 20 30 EEEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3cncc(C#N)c3)CC2)C1 ZINC001275026802 1205235811 /nfs/dbraw/zinc/23/58/11/1205235811.db2.gz BLKAFPPEOCCVNL-UHFFFAOYSA-N 2 1 341.503 2.193 20 30 EEEDMP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3cncc(C#N)c3)CC2)C1 ZINC001275026802 1205235814 /nfs/dbraw/zinc/23/58/14/1205235814.db2.gz BLKAFPPEOCCVNL-UHFFFAOYSA-N 2 1 341.503 2.193 20 30 EEEDMP C=CCOc1ccccc1C[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001275708153 1205492934 /nfs/dbraw/zinc/49/29/34/1205492934.db2.gz LDPALFQALWEVJX-UHFFFAOYSA-N 2 1 329.488 2.321 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC001275957012 1205603149 /nfs/dbraw/zinc/60/31/49/1205603149.db2.gz RZKSZPFJRMEJJQ-UHFFFAOYSA-N 2 1 330.451 2.157 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccon4)C[C@H]3CC2)cc1C#N ZINC001276071290 1205760408 /nfs/dbraw/zinc/76/04/08/1205760408.db2.gz SNKJENABFQNLIA-CALCHBBNSA-N 2 1 339.443 2.229 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947722853 1208687056 /nfs/dbraw/zinc/68/70/56/1208687056.db2.gz MHLSYOHEMBCYRJ-APWZRJJASA-N 2 1 327.472 2.007 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947858081 1208749424 /nfs/dbraw/zinc/74/94/24/1208749424.db2.gz WSNCRRYZCXGZNB-RDJZCZTQSA-N 2 1 339.443 2.426 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947858081 1208749428 /nfs/dbraw/zinc/74/94/28/1208749428.db2.gz WSNCRRYZCXGZNB-RDJZCZTQSA-N 2 1 339.443 2.426 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948726583 1209329924 /nfs/dbraw/zinc/32/99/24/1209329924.db2.gz VEOIOXLAJZCLKF-ROUUACIJSA-N 2 1 342.487 2.090 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948726583 1209329927 /nfs/dbraw/zinc/32/99/27/1209329927.db2.gz VEOIOXLAJZCLKF-ROUUACIJSA-N 2 1 342.487 2.090 20 30 EEEDMP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948985472 1209489783 /nfs/dbraw/zinc/48/97/83/1209489783.db2.gz DZOJSGMJQDKHMQ-MJGOQNOKSA-N 2 1 327.472 2.230 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948985472 1209489787 /nfs/dbraw/zinc/48/97/87/1209489787.db2.gz DZOJSGMJQDKHMQ-MJGOQNOKSA-N 2 1 327.472 2.230 20 30 EEEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948985472 1209489789 /nfs/dbraw/zinc/48/97/89/1209489789.db2.gz DZOJSGMJQDKHMQ-MJGOQNOKSA-N 2 1 327.472 2.230 20 30 EEEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000303897867 1213922265 /nfs/dbraw/zinc/92/22/65/1213922265.db2.gz VFQUQEZMMAGRNL-INIZCTEOSA-N 2 1 347.507 2.084 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957545260 1215198733 /nfs/dbraw/zinc/19/87/33/1215198733.db2.gz KCAYZRIAHWZPGL-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000304749112 1216102374 /nfs/dbraw/zinc/10/23/74/1216102374.db2.gz HNGMFZHKSLLVGD-HNNXBMFYSA-N 2 1 332.448 2.449 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000304751997 1216102687 /nfs/dbraw/zinc/10/26/87/1216102687.db2.gz JUKOHUVOVOMFQU-MOPGFXCFSA-N 3 1 343.519 2.040 20 30 EEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000304751997 1216102690 /nfs/dbraw/zinc/10/26/90/1216102690.db2.gz JUKOHUVOVOMFQU-MOPGFXCFSA-N 3 1 343.519 2.040 20 30 EEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000304751997 1216102692 /nfs/dbraw/zinc/10/26/92/1216102692.db2.gz JUKOHUVOVOMFQU-MOPGFXCFSA-N 3 1 343.519 2.040 20 30 EEEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCN1Cc1ccccc1 ZINC000304751997 1216102694 /nfs/dbraw/zinc/10/26/94/1216102694.db2.gz JUKOHUVOVOMFQU-MOPGFXCFSA-N 2 1 343.519 2.040 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCN1Cc1ccccc1 ZINC000304751997 1216102697 /nfs/dbraw/zinc/10/26/97/1216102697.db2.gz JUKOHUVOVOMFQU-MOPGFXCFSA-N 2 1 343.519 2.040 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000960305255 1216483232 /nfs/dbraw/zinc/48/32/32/1216483232.db2.gz WTQKWSLKBVISOK-XFQXTVEOSA-N 2 1 327.472 2.276 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961197843 1217083391 /nfs/dbraw/zinc/08/33/91/1217083391.db2.gz HANPASOXNWMOEV-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961440148 1217190949 /nfs/dbraw/zinc/19/09/49/1217190949.db2.gz JYTQYOUTYXFJKR-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961440148 1217190950 /nfs/dbraw/zinc/19/09/50/1217190950.db2.gz JYTQYOUTYXFJKR-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961440148 1217190951 /nfs/dbraw/zinc/19/09/51/1217190951.db2.gz JYTQYOUTYXFJKR-RTBURBONSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000961789458 1217330000 /nfs/dbraw/zinc/33/00/00/1217330000.db2.gz NFNXJRCJWRDUSX-PMOLBWCYSA-N 2 1 341.499 2.417 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2C#N)C1 ZINC000961992209 1217439865 /nfs/dbraw/zinc/43/98/65/1217439865.db2.gz JPOHPHLHXNBEIL-PPSBMQLTSA-N 2 1 340.471 2.027 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC000962275919 1217585714 /nfs/dbraw/zinc/58/57/14/1217585714.db2.gz XAKZEMUWVPLZJM-TWMKSMIVSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC000962275919 1217585717 /nfs/dbraw/zinc/58/57/17/1217585717.db2.gz XAKZEMUWVPLZJM-TWMKSMIVSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962275919 1217585721 /nfs/dbraw/zinc/58/57/21/1217585721.db2.gz XAKZEMUWVPLZJM-TWMKSMIVSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962275919 1217585723 /nfs/dbraw/zinc/58/57/23/1217585723.db2.gz XAKZEMUWVPLZJM-TWMKSMIVSA-N 2 1 339.911 2.440 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963390116 1217587460 /nfs/dbraw/zinc/58/74/60/1217587460.db2.gz JINUFOAHDAMZOU-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000963833038 1218063344 /nfs/dbraw/zinc/06/33/44/1218063344.db2.gz KNQCCKSTWCMKNX-ABHNRTSZSA-N 2 1 337.508 2.031 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000963833038 1218063349 /nfs/dbraw/zinc/06/33/49/1218063349.db2.gz KNQCCKSTWCMKNX-ABHNRTSZSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000963912969 1218122361 /nfs/dbraw/zinc/12/23/61/1218122361.db2.gz RBDHMNKXZSTLGL-UHFFFAOYSA-N 2 1 346.475 2.429 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000968956194 1221700459 /nfs/dbraw/zinc/70/04/59/1221700459.db2.gz DFPIQQYYUVSEBJ-IPELMVKDSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000968956194 1221700463 /nfs/dbraw/zinc/70/04/63/1221700463.db2.gz DFPIQQYYUVSEBJ-IPELMVKDSA-N 2 1 343.446 2.175 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968990842 1221723010 /nfs/dbraw/zinc/72/30/10/1221723010.db2.gz OQQAWKXPHGCAPV-RTBURBONSA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990842 1221723016 /nfs/dbraw/zinc/72/30/16/1221723016.db2.gz OQQAWKXPHGCAPV-RTBURBONSA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990842 1221723021 /nfs/dbraw/zinc/72/30/21/1221723021.db2.gz OQQAWKXPHGCAPV-RTBURBONSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001016335831 1226359257 /nfs/dbraw/zinc/35/92/57/1226359257.db2.gz GBZWATRGPBOYPF-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018990787 1228610274 /nfs/dbraw/zinc/61/02/74/1228610274.db2.gz PQLRSOGINXTQOF-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240451 1231125231 /nfs/dbraw/zinc/12/52/31/1231125231.db2.gz GHBCPIONBUUNDL-APWZRJJASA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001040240451 1231125233 /nfs/dbraw/zinc/12/52/33/1231125233.db2.gz GHBCPIONBUUNDL-APWZRJJASA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314019 1231165032 /nfs/dbraw/zinc/16/50/32/1231165032.db2.gz QNDSJTWZZPMHFI-UYAOXDASSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001040396535 1231207041 /nfs/dbraw/zinc/20/70/41/1231207041.db2.gz VFFFMICXFRPNLT-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001040396535 1231207044 /nfs/dbraw/zinc/20/70/44/1231207044.db2.gz VFFFMICXFRPNLT-YLJYHZDGSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433242 1231229907 /nfs/dbraw/zinc/22/99/07/1231229907.db2.gz VAZFULYHZUUPDI-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433242 1231229909 /nfs/dbraw/zinc/22/99/09/1231229909.db2.gz VAZFULYHZUUPDI-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433242 1231229911 /nfs/dbraw/zinc/22/99/11/1231229911.db2.gz VAZFULYHZUUPDI-UYAOXDASSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464153 1231247258 /nfs/dbraw/zinc/24/72/58/1231247258.db2.gz LYLCIGIGRCJENP-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001041680814 1231648222 /nfs/dbraw/zinc/64/82/22/1231648222.db2.gz VULHQLNXABRBKS-VQTJNVASSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041680814 1231648224 /nfs/dbraw/zinc/64/82/24/1231648224.db2.gz VULHQLNXABRBKS-VQTJNVASSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041680814 1231648225 /nfs/dbraw/zinc/64/82/25/1231648225.db2.gz VULHQLNXABRBKS-VQTJNVASSA-N 2 1 349.494 2.147 20 30 EEEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047255590 1235758766 /nfs/dbraw/zinc/75/87/66/1235758766.db2.gz BGASKGQXHJISOT-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001049234404 1240337320 /nfs/dbraw/zinc/33/73/20/1240337320.db2.gz DVVHETHBQFWSJM-IYBDPMFKSA-N 2 1 325.884 2.005 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821034 1242308018 /nfs/dbraw/zinc/30/80/18/1242308018.db2.gz QXTNCTTWIBMIHZ-RTBURBONSA-N 2 1 331.504 2.195 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001050543435 1243814568 /nfs/dbraw/zinc/81/45/68/1243814568.db2.gz CZNBDYKXVPWLKW-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)CC1 ZINC001050573377 1243867179 /nfs/dbraw/zinc/86/71/79/1243867179.db2.gz JVSKQIBLOAPNAG-UHFFFAOYSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cccc2C1 ZINC001051298442 1245497199 /nfs/dbraw/zinc/49/71/99/1245497199.db2.gz QUEOOSORZXDCSU-IRXDYDNUSA-N 2 1 339.483 2.024 20 30 EEEDMP C#CC[N@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cccc2C1 ZINC001051298442 1245497203 /nfs/dbraw/zinc/49/72/03/1245497203.db2.gz QUEOOSORZXDCSU-IRXDYDNUSA-N 2 1 339.483 2.024 20 30 EEEDMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cccc2C1 ZINC001051298442 1245497207 /nfs/dbraw/zinc/49/72/07/1245497207.db2.gz QUEOOSORZXDCSU-IRXDYDNUSA-N 2 1 339.483 2.024 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001052937412 1245513269 /nfs/dbraw/zinc/51/32/69/1245513269.db2.gz KMZXPMVVRMNEPI-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC2CC2)CC1 ZINC001052988015 1245617480 /nfs/dbraw/zinc/61/74/80/1245617480.db2.gz UQVJDGXJNJBZOJ-ZYSHUDEJSA-N 2 1 344.503 2.086 20 30 EEEDMP C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC2CC2)CC1 ZINC001052988015 1245617488 /nfs/dbraw/zinc/61/74/88/1245617488.db2.gz UQVJDGXJNJBZOJ-ZYSHUDEJSA-N 2 1 344.503 2.086 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028335 1245711655 /nfs/dbraw/zinc/71/16/55/1245711655.db2.gz LDXQDKUXYBZGKW-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099886 1245904061 /nfs/dbraw/zinc/90/40/61/1245904061.db2.gz BYZSIPHYXWBZGP-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107312 1245926906 /nfs/dbraw/zinc/92/69/06/1245926906.db2.gz DWTIKGFZBUFLCL-RTBURBONSA-N 2 1 342.487 2.308 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107312 1245926911 /nfs/dbraw/zinc/92/69/11/1245926911.db2.gz DWTIKGFZBUFLCL-RTBURBONSA-N 2 1 342.487 2.308 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001101574881 1245979408 /nfs/dbraw/zinc/97/94/08/1245979408.db2.gz HZUDLEVCUDDQNW-WMZOPIPTSA-N 2 1 333.520 2.062 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001052255274 1246782553 /nfs/dbraw/zinc/78/25/53/1246782553.db2.gz YPTVENQIETUOBK-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001052255274 1246782565 /nfs/dbraw/zinc/78/25/65/1246782565.db2.gz YPTVENQIETUOBK-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001052255274 1246782574 /nfs/dbraw/zinc/78/25/74/1246782574.db2.gz YPTVENQIETUOBK-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001054133564 1247484840 /nfs/dbraw/zinc/48/48/40/1247484840.db2.gz GEULWRNLPHSQNO-PXNSSMCTSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001054133564 1247484844 /nfs/dbraw/zinc/48/48/44/1247484844.db2.gz GEULWRNLPHSQNO-PXNSSMCTSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144180 1247515075 /nfs/dbraw/zinc/51/50/75/1247515075.db2.gz RIOYJVGPHYJVJB-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054144180 1247515085 /nfs/dbraw/zinc/51/50/85/1247515085.db2.gz RIOYJVGPHYJVJB-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054144180 1247515092 /nfs/dbraw/zinc/51/50/92/1247515092.db2.gz RIOYJVGPHYJVJB-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001054209642 1247722119 /nfs/dbraw/zinc/72/21/19/1247722119.db2.gz UUCCNHHOCHKOFW-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001054209642 1247722126 /nfs/dbraw/zinc/72/21/26/1247722126.db2.gz UUCCNHHOCHKOFW-HXUWFJFHSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCCC2)C1 ZINC001099553713 1258202970 /nfs/dbraw/zinc/20/29/70/1258202970.db2.gz VSEIJVIYHUVJHD-VJANTYMQSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CCCC[NH2+]C1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001100795650 1259269283 /nfs/dbraw/zinc/26/92/83/1259269283.db2.gz CVXBDDNERIFXLI-UHFFFAOYSA-N 2 1 339.443 2.332 20 30 EEEDMP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)CN(C)CCc2ccccc2)C1 ZINC001192406072 1281974936 /nfs/dbraw/zinc/97/49/36/1281974936.db2.gz ADRJFPQYTNLCNG-GOSISDBHSA-N 2 1 349.906 2.446 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCC(C)C)C2)CC1 ZINC001194246459 1282956083 /nfs/dbraw/zinc/95/60/83/1282956083.db2.gz MRPPADRBTYNUIC-LJQANCHMSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCCCF)C2)CC1 ZINC001194247759 1282957134 /nfs/dbraw/zinc/95/71/34/1282957134.db2.gz ZMVGGKPWEULEFS-GOSISDBHSA-N 2 1 337.483 2.004 20 30 EEEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196163234 1283930414 /nfs/dbraw/zinc/93/04/14/1283930414.db2.gz JTLGLOPFKZCCIL-IBGZPJMESA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196163234 1283930422 /nfs/dbraw/zinc/93/04/22/1283930422.db2.gz JTLGLOPFKZCCIL-IBGZPJMESA-N 2 1 349.519 2.130 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCO1 ZINC001201238943 1289374132 /nfs/dbraw/zinc/37/41/32/1289374132.db2.gz DUQXAJOHLDYKDU-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP CC(C)(C)[C@]1(CN=NC2=[NH+]CCN2)CC[N@H+](Cc2ccccc2)C1 ZINC000857210211 1293758129 /nfs/dbraw/zinc/75/81/29/1293758129.db2.gz MKHGJFCFQTWLFL-IBGZPJMESA-N 2 1 327.476 2.459 20 30 EEEDMP CC(C)(C)[C@]1(CN=NC2=[NH+]CCN2)CC[N@@H+](Cc2ccccc2)C1 ZINC000857210211 1293758136 /nfs/dbraw/zinc/75/81/36/1293758136.db2.gz MKHGJFCFQTWLFL-IBGZPJMESA-N 2 1 327.476 2.459 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213592985 1296101932 /nfs/dbraw/zinc/10/19/32/1296101932.db2.gz IOMBLBMILRAIIC-KZNAEPCWSA-N 2 1 339.524 2.134 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](OC)C1 ZINC001213712890 1296144221 /nfs/dbraw/zinc/14/42/21/1296144221.db2.gz GFGPLSQIALEIOB-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c[nH]ccc-4n3)[C@H]2C1 ZINC001218175035 1297590984 /nfs/dbraw/zinc/59/09/84/1297590984.db2.gz AUEHNWXENDLVOY-ZWKOTPCHSA-N 2 1 340.427 2.054 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001073850409 1297599679 /nfs/dbraw/zinc/59/96/79/1297599679.db2.gz BSBSZENYJHGUHF-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001073850409 1297599687 /nfs/dbraw/zinc/59/96/87/1297599687.db2.gz BSBSZENYJHGUHF-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001073850409 1297599699 /nfs/dbraw/zinc/59/96/99/1297599699.db2.gz BSBSZENYJHGUHF-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCCC[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001276979732 1300639405 /nfs/dbraw/zinc/63/94/05/1300639405.db2.gz LUXATMOZXXXSAR-TZIWHRDSSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103086649 1302193796 /nfs/dbraw/zinc/19/37/96/1302193796.db2.gz LTADMTQCJFUVOQ-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103086649 1302193800 /nfs/dbraw/zinc/19/38/00/1302193800.db2.gz LTADMTQCJFUVOQ-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103086649 1302193810 /nfs/dbraw/zinc/19/38/10/1302193810.db2.gz LTADMTQCJFUVOQ-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC001228940078 1302534978 /nfs/dbraw/zinc/53/49/78/1302534978.db2.gz RGIQEHUMISMRLJ-IAGOWNOFSA-N 2 1 330.476 2.437 20 30 EEEDMP C=CCCC[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001229785438 1302944283 /nfs/dbraw/zinc/94/42/83/1302944283.db2.gz JKMMOPDCSAJZJL-UHFFFAOYSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccnc1 ZINC001230923240 1303547677 /nfs/dbraw/zinc/54/76/77/1303547677.db2.gz FZRWCOSHRPGUEE-UHFFFAOYSA-N 2 1 344.503 2.452 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(C#N)c1 ZINC000799597190 1305319530 /nfs/dbraw/zinc/31/95/30/1305319530.db2.gz LECUAOUZYIODAC-LJQANCHMSA-N 2 1 342.487 2.355 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591871 1305464292 /nfs/dbraw/zinc/46/42/92/1305464292.db2.gz JKCUVXYRMSGYCQ-MSOLQXFVSA-N 2 1 331.504 2.435 20 30 EEEDMP Cn1cc(C[NH2+][C@]23CC[C@]([NH2+]CCC[NH+](C)C)(C2)CCC3)cc1C#N ZINC001278049420 1305789648 /nfs/dbraw/zinc/78/96/48/1305789648.db2.gz JKANVEUECILKHX-VQTJNVASSA-N 3 1 343.519 2.373 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001122219052 1310240879 /nfs/dbraw/zinc/24/08/79/1310240879.db2.gz DLCWGLOKVCFENX-RJKRPDFYSA-N 2 1 349.519 2.079 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001122219052 1310240885 /nfs/dbraw/zinc/24/08/85/1310240885.db2.gz DLCWGLOKVCFENX-RJKRPDFYSA-N 2 1 349.519 2.079 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246304176 1310276669 /nfs/dbraw/zinc/27/66/69/1310276669.db2.gz KDRPGCUIIBHNBX-PBHICJAKSA-N 2 1 349.431 2.342 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246670195 1310375353 /nfs/dbraw/zinc/37/53/53/1310375353.db2.gz OSGUKYMLFKRRKB-QEJZJMRPSA-N 2 1 334.382 2.358 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246670195 1310375355 /nfs/dbraw/zinc/37/53/55/1310375355.db2.gz OSGUKYMLFKRRKB-QEJZJMRPSA-N 2 1 334.382 2.358 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149863187 1316071616 /nfs/dbraw/zinc/07/16/16/1316071616.db2.gz YQLRFOIYEWAOCR-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149863187 1316071618 /nfs/dbraw/zinc/07/16/18/1316071618.db2.gz YQLRFOIYEWAOCR-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149863187 1316071621 /nfs/dbraw/zinc/07/16/21/1316071621.db2.gz YQLRFOIYEWAOCR-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150300007 1316230131 /nfs/dbraw/zinc/23/01/31/1316230131.db2.gz XAEIHSZJVIJMCH-ROUUACIJSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001150778314 1316372096 /nfs/dbraw/zinc/37/20/96/1316372096.db2.gz KKMJXZGBOSFIMG-RBUKOAKNSA-N 2 1 345.487 2.073 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001150778314 1316372103 /nfs/dbraw/zinc/37/21/03/1316372103.db2.gz KKMJXZGBOSFIMG-RBUKOAKNSA-N 2 1 345.487 2.073 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001151174532 1316466602 /nfs/dbraw/zinc/46/66/02/1316466602.db2.gz DKTCLHZSLTZSGT-ZWKOTPCHSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCC(CCOC)(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001151405752 1316522685 /nfs/dbraw/zinc/52/26/85/1316522685.db2.gz GSRBDOJXWHRGFQ-IBGZPJMESA-N 2 1 349.519 2.036 20 30 EEEDMP CC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392268 1316666143 /nfs/dbraw/zinc/66/61/43/1316666143.db2.gz KMVTXXBBBKTTNI-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392268 1316666146 /nfs/dbraw/zinc/66/61/46/1316666146.db2.gz KMVTXXBBBKTTNI-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152392268 1316666149 /nfs/dbraw/zinc/66/61/49/1316666149.db2.gz KMVTXXBBBKTTNI-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152392268 1316666150 /nfs/dbraw/zinc/66/61/50/1316666150.db2.gz KMVTXXBBBKTTNI-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP N#CC1CCC([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001256966465 1318906072 /nfs/dbraw/zinc/90/60/72/1318906072.db2.gz IYFPLVKMDGHZAD-UHFFFAOYSA-N 2 1 327.476 2.419 20 30 EEEDMP Cc1cnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c(C#C[Si](C)(C)C)c1 ZINC001160512919 1320180421 /nfs/dbraw/zinc/18/04/21/1320180421.db2.gz GFDIJSIHKRTANW-IBGZPJMESA-N 2 1 342.563 2.454 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001162810498 1320965214 /nfs/dbraw/zinc/96/52/14/1320965214.db2.gz KXPSELODWANZHU-UYAOXDASSA-N 2 1 341.499 2.011 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001206274833 1323443761 /nfs/dbraw/zinc/44/37/61/1323443761.db2.gz LMIBDVRTPPDQPT-LJQANCHMSA-N 2 1 337.483 2.050 20 30 EEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001206346843 1323465734 /nfs/dbraw/zinc/46/57/34/1323465734.db2.gz MWLDXDJHLICHGA-UXHICEINSA-N 2 1 341.499 2.346 20 30 EEEDMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001316620546 1325728986 /nfs/dbraw/zinc/72/89/86/1325728986.db2.gz FKOCXPUPVNZNSG-YESZJQIVSA-N 2 1 330.476 2.205 20 30 EEEDMP C#CC[N@H+](CCC(=O)N1CCN(C)CC1)[C@@H]1CCCc2ccccc21 ZINC001308105130 1331563043 /nfs/dbraw/zinc/56/30/43/1331563043.db2.gz XBKQMQLNMMLYDW-HXUWFJFHSA-N 2 1 339.483 2.163 20 30 EEEDMP C#CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCc2ccccc21 ZINC001308105130 1331563044 /nfs/dbraw/zinc/56/30/44/1331563044.db2.gz XBKQMQLNMMLYDW-HXUWFJFHSA-N 2 1 339.483 2.163 20 30 EEEDMP C#CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCc2ccccc21 ZINC001308105130 1331563065 /nfs/dbraw/zinc/56/30/65/1331563065.db2.gz XBKQMQLNMMLYDW-HXUWFJFHSA-N 2 1 339.483 2.163 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC001335367476 1336367856 /nfs/dbraw/zinc/36/78/56/1336367856.db2.gz MTFIFMOMUOEBMH-QZTJIDSGSA-N 2 1 348.487 2.095 20 30 EEEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001200644836 1338493315 /nfs/dbraw/zinc/49/33/15/1338493315.db2.gz RTVUAKMDSMLPMC-MRXNPFEDSA-N 2 1 348.491 2.180 20 30 EEEDMP CC(C)([NH3+])c1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)on1 ZINC001575365190 1343781229 /nfs/dbraw/zinc/78/12/29/1343781229.db2.gz FQPPWMUIEGAWJD-UHFFFAOYSA-N 2 1 339.443 2.452 20 30 EEEDMP CC(C)([NH3+])c1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)on1 ZINC001575365190 1343781231 /nfs/dbraw/zinc/78/12/31/1343781231.db2.gz FQPPWMUIEGAWJD-UHFFFAOYSA-N 2 1 339.443 2.452 20 30 EEEDMP CN(CCC[N@@H+](C)CC#Cc1ccccc1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001673450845 1356692508 /nfs/dbraw/zinc/69/25/08/1356692508.db2.gz ZPPIGDPRRPVZQU-FQEVSTJZSA-N 2 1 341.499 2.303 20 30 EEEDMP CN(CCC[NH+](C)CC#Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001673450845 1356692510 /nfs/dbraw/zinc/69/25/10/1356692510.db2.gz ZPPIGDPRRPVZQU-FQEVSTJZSA-N 2 1 341.499 2.303 20 30 EEEDMP CN(CCC[NH+](C)CC#Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001673450845 1356692514 /nfs/dbraw/zinc/69/25/14/1356692514.db2.gz ZPPIGDPRRPVZQU-FQEVSTJZSA-N 2 1 341.499 2.303 20 30 EEEDMP N#C[C@H]1CCCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000686822528 1367008408 /nfs/dbraw/zinc/00/84/08/1367008408.db2.gz KOTHHPTZMGNZEC-GOSISDBHSA-N 2 1 340.471 2.132 20 30 EEEDMP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1OC ZINC001198903137 1368652223 /nfs/dbraw/zinc/65/22/23/1368652223.db2.gz VLUMZEQHZQDOQX-QGZVFWFLSA-N 2 1 345.487 2.053 20 30 EEEDMP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1OC ZINC001198903137 1368652228 /nfs/dbraw/zinc/65/22/28/1368652228.db2.gz VLUMZEQHZQDOQX-QGZVFWFLSA-N 2 1 345.487 2.053 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073633828 1370900429 /nfs/dbraw/zinc/90/04/29/1370900429.db2.gz HVFVBZVUZSLGFB-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001073633828 1370900432 /nfs/dbraw/zinc/90/04/32/1370900432.db2.gz HVFVBZVUZSLGFB-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001073633828 1370900438 /nfs/dbraw/zinc/90/04/38/1370900438.db2.gz HVFVBZVUZSLGFB-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001368546344 1374431565 /nfs/dbraw/zinc/43/15/65/1374431565.db2.gz HGFIVFDVDKMKIU-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CN(CCC[NH+](C)Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001368546344 1374431570 /nfs/dbraw/zinc/43/15/70/1374431570.db2.gz HGFIVFDVDKMKIU-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CN(CCC[NH+](C)Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001368546344 1374431572 /nfs/dbraw/zinc/43/15/72/1374431572.db2.gz HGFIVFDVDKMKIU-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)Cc2ccccc2C#N)CC1 ZINC001369190577 1374499680 /nfs/dbraw/zinc/49/96/80/1374499680.db2.gz MCHFTTUIWYBVIH-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)Cc2ccccc2C#N)CC1 ZINC001369190577 1374499687 /nfs/dbraw/zinc/49/96/87/1374499687.db2.gz MCHFTTUIWYBVIH-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)Cc2ccccc2C#N)CC1 ZINC001369190577 1374499693 /nfs/dbraw/zinc/49/96/93/1374499693.db2.gz MCHFTTUIWYBVIH-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001377414845 1379222046 /nfs/dbraw/zinc/22/20/46/1379222046.db2.gz NXRIZOQOSDPPFN-RBUKOAKNSA-N 2 1 342.487 2.225 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001377696431 1379452589 /nfs/dbraw/zinc/45/25/89/1379452589.db2.gz JGTMLIUYLFSAIW-OAHLLOKOSA-N 2 1 325.884 2.196 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001380288998 1381153564 /nfs/dbraw/zinc/15/35/64/1381153564.db2.gz FWPXURZLELMSBD-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001381789041 1381801112 /nfs/dbraw/zinc/80/11/12/1381801112.db2.gz QZTPSHITQPJJMS-ZDUSSCGKSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001381789041 1381801116 /nfs/dbraw/zinc/80/11/16/1381801116.db2.gz QZTPSHITQPJJMS-ZDUSSCGKSA-N 2 1 346.500 2.041 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391885769 1389685930 /nfs/dbraw/zinc/68/59/30/1389685930.db2.gz HEUTVFVDDZIFNB-VQIMIIECSA-N 2 1 342.487 2.273 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001392183925 1389873596 /nfs/dbraw/zinc/87/35/96/1389873596.db2.gz SMMQVJRXMCWHMH-APWZRJJASA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC001755002656 1407022880 /nfs/dbraw/zinc/02/28/80/1407022880.db2.gz WCZNCIRMSYFBJF-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001422757265 1400182619 /nfs/dbraw/zinc/18/26/19/1400182619.db2.gz VQSYWIQJFOLXIO-SUMWQHHRSA-N 2 1 348.516 2.142 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001426237580 1401979412 /nfs/dbraw/zinc/97/94/12/1401979412.db2.gz LPAWBDZFVXCDIV-UHFFFAOYSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[C@@]1(C(=O)N2CC[NH+]([C@H](CC)c3ccccc3)CC2)CCC[NH2+]1 ZINC001574515895 1403521245 /nfs/dbraw/zinc/52/12/45/1403521245.db2.gz AVUMSFYNKAWBAI-CTNGQTDRSA-N 2 1 339.483 2.427 20 30 EEEDMP CC#CC[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC001574970426 1403529663 /nfs/dbraw/zinc/52/96/63/1403529663.db2.gz VSCSZGJPJZRUQV-QAPCUYQASA-N 2 1 329.444 2.086 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCCC=C)C[C@]2(C)C1 ZINC001755461614 1407494663 /nfs/dbraw/zinc/49/46/63/1407494663.db2.gz AOIXVARDBBAIQT-SESVDKBCSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCCC=C)C[C@]2(C)C1 ZINC001755461614 1407494665 /nfs/dbraw/zinc/49/46/65/1407494665.db2.gz AOIXVARDBBAIQT-SESVDKBCSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCCC=C)C[C@]2(C)C1 ZINC001755461614 1407494667 /nfs/dbraw/zinc/49/46/67/1407494667.db2.gz AOIXVARDBBAIQT-SESVDKBCSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCCC=C)C[C@]2(C)C1 ZINC001755461614 1407494670 /nfs/dbraw/zinc/49/46/70/1407494670.db2.gz AOIXVARDBBAIQT-SESVDKBCSA-N 2 1 343.515 2.221 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001755852302 1407905083 /nfs/dbraw/zinc/90/50/83/1407905083.db2.gz RJNHQFFOFUMUNY-UONOGXRCSA-N 2 1 335.414 2.273 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544557 1410728887 /nfs/dbraw/zinc/72/88/87/1410728887.db2.gz XPSPOEPGVCEOER-GUDVDZBRSA-N 2 1 335.536 2.450 20 30 EEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001112397247 1410895439 /nfs/dbraw/zinc/89/54/39/1410895439.db2.gz YRHWXMZWMCSITC-BJLQDIEVSA-N 2 1 333.520 2.369 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCCCCC ZINC001114985171 1410947025 /nfs/dbraw/zinc/94/70/25/1410947025.db2.gz YMQBFSYKZDVGGJ-QLPKVWCKSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCCCCC ZINC001114985171 1410947027 /nfs/dbraw/zinc/94/70/27/1410947027.db2.gz YMQBFSYKZDVGGJ-QLPKVWCKSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCCCCC ZINC001114985171 1410947029 /nfs/dbraw/zinc/94/70/29/1410947029.db2.gz YMQBFSYKZDVGGJ-QLPKVWCKSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCCCCC ZINC001114985171 1410947033 /nfs/dbraw/zinc/94/70/33/1410947033.db2.gz YMQBFSYKZDVGGJ-QLPKVWCKSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000948448657 782525064 /nfs/dbraw/zinc/52/50/64/782525064.db2.gz GNCDXVBLXOPHDA-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC000948448657 782525042 /nfs/dbraw/zinc/52/50/42/782525042.db2.gz GNCDXVBLXOPHDA-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC000948448657 782525051 /nfs/dbraw/zinc/52/50/51/782525051.db2.gz GNCDXVBLXOPHDA-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000948448657 782525055 /nfs/dbraw/zinc/52/50/55/782525055.db2.gz GNCDXVBLXOPHDA-MOPGFXCFSA-N 2 1 331.504 2.363 20 30 EEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104354112 759678733 /nfs/dbraw/zinc/67/87/33/759678733.db2.gz RXTGCNRXBHLATM-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)C[C@H](C)O2 ZINC001098609445 765423380 /nfs/dbraw/zinc/42/33/80/765423380.db2.gz BUOADQLMFSWFBM-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908126 765546879 /nfs/dbraw/zinc/54/68/79/765546879.db2.gz KIFDXZORTRZQNB-VNQPRFMTSA-N 2 1 327.900 2.155 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106768 782921716 /nfs/dbraw/zinc/92/17/16/782921716.db2.gz PXHVNCCBDNIRCV-UWVAXJGDSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106768 782921719 /nfs/dbraw/zinc/92/17/19/782921719.db2.gz PXHVNCCBDNIRCV-UWVAXJGDSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106768 782921723 /nfs/dbraw/zinc/92/17/23/782921723.db2.gz PXHVNCCBDNIRCV-UWVAXJGDSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088128887 782948538 /nfs/dbraw/zinc/94/85/38/782948538.db2.gz MSDWALKABPONIH-MSOLQXFVSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088128887 782948545 /nfs/dbraw/zinc/94/85/45/782948545.db2.gz MSDWALKABPONIH-MSOLQXFVSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089646267 773682723 /nfs/dbraw/zinc/68/27/23/773682723.db2.gz NBSNHLVFJJNPQN-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089646267 773682726 /nfs/dbraw/zinc/68/27/26/773682726.db2.gz NBSNHLVFJJNPQN-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089646267 773682730 /nfs/dbraw/zinc/68/27/30/773682730.db2.gz NBSNHLVFJJNPQN-QZTJIDSGSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686762 774319633 /nfs/dbraw/zinc/31/96/33/774319633.db2.gz YDGQCJKLXNYWOT-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089686762 774319639 /nfs/dbraw/zinc/31/96/39/774319639.db2.gz YDGQCJKLXNYWOT-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089686762 774319647 /nfs/dbraw/zinc/31/96/47/774319647.db2.gz YDGQCJKLXNYWOT-OKZBNKHCSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC3=CCCCC3)C2)CC1 ZINC000980479524 774705308 /nfs/dbraw/zinc/70/53/08/774705308.db2.gz XHRORRVBWRVSCB-FQEVSTJZSA-N 2 1 343.515 2.365 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725718 774786291 /nfs/dbraw/zinc/78/62/91/774786291.db2.gz KYGZNQJJCACHHV-MRXNPFEDSA-N 2 1 342.487 2.391 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1ncc[nH]1 ZINC001089802380 775830056 /nfs/dbraw/zinc/83/00/56/775830056.db2.gz FJVWNVQSZSQRNI-FZKCQIBNSA-N 2 1 348.878 2.264 20 30 EEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997614484 790450267 /nfs/dbraw/zinc/45/02/67/790450267.db2.gz QYGFBUHPCXQWDN-HKUYNNGSSA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997619112 790456826 /nfs/dbraw/zinc/45/68/26/790456826.db2.gz XHGWHOGNBBWPBN-DOTOQJQBSA-N 2 1 328.460 2.001 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000981232377 776878983 /nfs/dbraw/zinc/87/89/83/776878983.db2.gz ZNFUNRRFNBGHFU-HZPDHXFCSA-N 2 1 330.476 2.355 20 30 EEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000981807922 778251602 /nfs/dbraw/zinc/25/16/02/778251602.db2.gz DPHWYNZXCBGCOV-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981807922 778251608 /nfs/dbraw/zinc/25/16/08/778251608.db2.gz DPHWYNZXCBGCOV-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981807922 778251616 /nfs/dbraw/zinc/25/16/16/778251616.db2.gz DPHWYNZXCBGCOV-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982475202 780523385 /nfs/dbraw/zinc/52/33/85/780523385.db2.gz MHXIKYQINWFGNF-QGZVKYPTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982475202 780523390 /nfs/dbraw/zinc/52/33/90/780523390.db2.gz MHXIKYQINWFGNF-QGZVKYPTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982475202 780523395 /nfs/dbraw/zinc/52/33/95/780523395.db2.gz MHXIKYQINWFGNF-QGZVKYPTSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396182 781907553 /nfs/dbraw/zinc/90/75/53/781907553.db2.gz IVPLSRNIBGEROH-HXUWFJFHSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396182 781907561 /nfs/dbraw/zinc/90/75/61/781907561.db2.gz IVPLSRNIBGEROH-HXUWFJFHSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396182 781907567 /nfs/dbraw/zinc/90/75/67/781907567.db2.gz IVPLSRNIBGEROH-HXUWFJFHSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC(=C)Cl)CC2)CC1 ZINC001045647296 783817129 /nfs/dbraw/zinc/81/71/29/783817129.db2.gz ZTMUOVVVVQIOOO-UHFFFAOYSA-N 2 1 337.895 2.055 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035183978 784018579 /nfs/dbraw/zinc/01/85/79/784018579.db2.gz CEOQYOKKJJGWOK-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035183978 784018585 /nfs/dbraw/zinc/01/85/85/784018585.db2.gz CEOQYOKKJJGWOK-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035183978 784018590 /nfs/dbraw/zinc/01/85/90/784018590.db2.gz CEOQYOKKJJGWOK-RTBURBONSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035197112 784029635 /nfs/dbraw/zinc/02/96/35/784029635.db2.gz ILYCSJRTVZDKDF-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197112 784029643 /nfs/dbraw/zinc/02/96/43/784029643.db2.gz ILYCSJRTVZDKDF-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197112 784029646 /nfs/dbraw/zinc/02/96/46/784029646.db2.gz ILYCSJRTVZDKDF-MOPGFXCFSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035243951 784174798 /nfs/dbraw/zinc/17/47/98/784174798.db2.gz FMZHYLCURZZJPC-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001035611449 784849254 /nfs/dbraw/zinc/84/92/54/784849254.db2.gz GMANPRKHSNGDGH-GOSISDBHSA-N 2 1 345.487 2.145 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035741391 785056719 /nfs/dbraw/zinc/05/67/19/785056719.db2.gz MKHVEIMHCQNULQ-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810453 785209328 /nfs/dbraw/zinc/20/93/28/785209328.db2.gz LTYNWXVGJGHTFM-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1(C)C ZINC000995850972 785766893 /nfs/dbraw/zinc/76/68/93/785766893.db2.gz WQUXALACCYDTJK-DLBZAZTESA-N 2 1 345.491 2.193 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1(C)C ZINC000995850972 785766896 /nfs/dbraw/zinc/76/68/96/785766896.db2.gz WQUXALACCYDTJK-DLBZAZTESA-N 2 1 345.491 2.193 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001036119937 785817666 /nfs/dbraw/zinc/81/76/66/785817666.db2.gz ZEHVSLXSTAQHKZ-HZPDHXFCSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996478689 786433926 /nfs/dbraw/zinc/43/39/26/786433926.db2.gz TUQQHGAUVRLXEI-ZBFHGGJFSA-N 2 1 325.884 2.194 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165007 787557295 /nfs/dbraw/zinc/55/72/95/787557295.db2.gz AFWHCWJNEUUHTC-IBGZPJMESA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000923288904 789316967 /nfs/dbraw/zinc/31/69/67/789316967.db2.gz MHWZDYVZKNFIBR-KBAYOESNSA-N 2 1 348.487 2.223 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939625 793027821 /nfs/dbraw/zinc/02/78/21/793027821.db2.gz VZQBNENXVMVDAQ-FHWLQOOXSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899848 793198643 /nfs/dbraw/zinc/19/86/43/793198643.db2.gz YZSWAMKDSHUSCL-SJORKVTESA-N 2 1 339.524 2.015 20 30 EEEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899848 793198650 /nfs/dbraw/zinc/19/86/50/793198650.db2.gz YZSWAMKDSHUSCL-SJORKVTESA-N 2 1 339.524 2.015 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899848 793198658 /nfs/dbraw/zinc/19/86/58/793198658.db2.gz YZSWAMKDSHUSCL-SJORKVTESA-N 2 1 339.524 2.015 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000998899089 793537350 /nfs/dbraw/zinc/53/73/50/793537350.db2.gz QQAVCXKFIFCMCT-QQFBHYJXSA-N 2 1 327.900 2.296 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092100997 793560282 /nfs/dbraw/zinc/56/02/82/793560282.db2.gz JNIGAPYBHYROLW-QUCCMNQESA-N 2 1 327.472 2.328 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946517859 793853074 /nfs/dbraw/zinc/85/30/74/793853074.db2.gz JXGRDVBUEWBMCV-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517859 793853083 /nfs/dbraw/zinc/85/30/83/793853083.db2.gz JXGRDVBUEWBMCV-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517859 793853092 /nfs/dbraw/zinc/85/30/92/793853092.db2.gz JXGRDVBUEWBMCV-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000999189086 793975467 /nfs/dbraw/zinc/97/54/67/793975467.db2.gz HZGWRZZKRIHSRD-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079210872 794460742 /nfs/dbraw/zinc/46/07/42/794460742.db2.gz FTHLCXZFKDYESP-YTQUADARSA-N 2 1 345.462 2.238 20 30 EEEDMP N#Cc1cccc(C[N@H+]2CC[C@@]3(NC(=O)Cn4ccnc4)CCC[C@@H]23)c1 ZINC000992525075 794499629 /nfs/dbraw/zinc/49/96/29/794499629.db2.gz VVCYNMZIYQGMSO-QUCCMNQESA-N 2 1 349.438 2.068 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC001093223927 794879175 /nfs/dbraw/zinc/87/91/75/794879175.db2.gz JKFJSXBEVNHENO-YLJYHZDGSA-N 2 1 347.547 2.452 20 30 EEEDMP CN(C)/C=[NH+]/c1ccc(NCC2([NH+]3CCCC3)COC2)cc1C#N ZINC001168448178 794991800 /nfs/dbraw/zinc/99/18/00/794991800.db2.gz ROOPULVXUFXHCF-KGENOOAVSA-N 2 1 327.432 2.056 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093360948 795087062 /nfs/dbraw/zinc/08/70/62/795087062.db2.gz GOGSGMIPSOMIPI-RBUKOAKNSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001093360948 795087070 /nfs/dbraw/zinc/08/70/70/795087070.db2.gz GOGSGMIPSOMIPI-RBUKOAKNSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001093360948 795087079 /nfs/dbraw/zinc/08/70/79/795087079.db2.gz GOGSGMIPSOMIPI-RBUKOAKNSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036858720 795508358 /nfs/dbraw/zinc/50/83/58/795508358.db2.gz DBQVBSKZJHOZHJ-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430324 796221606 /nfs/dbraw/zinc/22/16/06/796221606.db2.gz LKNKQXIGKGFQMR-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430324 796221610 /nfs/dbraw/zinc/22/16/10/796221610.db2.gz LKNKQXIGKGFQMR-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430324 796221616 /nfs/dbraw/zinc/22/16/16/796221616.db2.gz LKNKQXIGKGFQMR-QWFCFKBJSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993622230 796847541 /nfs/dbraw/zinc/84/75/41/796847541.db2.gz OEVYHIBSABJBGG-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993622230 796847547 /nfs/dbraw/zinc/84/75/47/796847547.db2.gz OEVYHIBSABJBGG-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173423271 797443109 /nfs/dbraw/zinc/44/31/09/797443109.db2.gz HZWMOCKPKQDHQG-KRWDZBQOSA-N 2 1 340.471 2.094 20 30 EEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174889701 797903193 /nfs/dbraw/zinc/90/31/93/797903193.db2.gz LIPKHZKSGKIEHA-CVEARBPZSA-N 2 1 345.915 2.113 20 30 EEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174889701 797903195 /nfs/dbraw/zinc/90/31/95/797903195.db2.gz LIPKHZKSGKIEHA-CVEARBPZSA-N 2 1 345.915 2.113 20 30 EEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262154 798059123 /nfs/dbraw/zinc/05/91/23/798059123.db2.gz CDDCUFRSTLFFMQ-VQIMIIECSA-N 2 1 339.499 2.487 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994478936 798072813 /nfs/dbraw/zinc/07/28/13/798072813.db2.gz WEWZJLJOENJEOJ-WBVHZDCISA-N 2 1 331.460 2.337 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994478936 798072819 /nfs/dbraw/zinc/07/28/19/798072819.db2.gz WEWZJLJOENJEOJ-WBVHZDCISA-N 2 1 331.460 2.337 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994482865 798078451 /nfs/dbraw/zinc/07/84/51/798078451.db2.gz FJEOFXSVEXKWAF-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545570 798267880 /nfs/dbraw/zinc/26/78/80/798267880.db2.gz OYTCHEWDOJGMLE-GUDVDZBRSA-N 2 1 331.504 2.360 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001084767897 798439053 /nfs/dbraw/zinc/43/90/53/798439053.db2.gz NHGHOFSNFJJUPR-GUDVDZBRSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084767897 798439056 /nfs/dbraw/zinc/43/90/56/798439056.db2.gz NHGHOFSNFJJUPR-GUDVDZBRSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084767897 798439059 /nfs/dbraw/zinc/43/90/59/798439059.db2.gz NHGHOFSNFJJUPR-GUDVDZBRSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084767897 798439061 /nfs/dbraw/zinc/43/90/61/798439061.db2.gz NHGHOFSNFJJUPR-GUDVDZBRSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085032707 798625181 /nfs/dbraw/zinc/62/51/81/798625181.db2.gz VTGDEURPRLEVEE-IMJJTQAJSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085032707 798625185 /nfs/dbraw/zinc/62/51/85/798625185.db2.gz VTGDEURPRLEVEE-IMJJTQAJSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085032707 798625187 /nfs/dbraw/zinc/62/51/87/798625187.db2.gz VTGDEURPRLEVEE-IMJJTQAJSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085032707 798625191 /nfs/dbraw/zinc/62/51/91/798625191.db2.gz VTGDEURPRLEVEE-IMJJTQAJSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001177484301 798976604 /nfs/dbraw/zinc/97/66/04/798976604.db2.gz AZRDAEPFRLQASE-HDICACEKSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178708355 799599329 /nfs/dbraw/zinc/59/93/29/799599329.db2.gz TZOFFTDCNZWMNQ-SCTDSRPQSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816831 801361129 /nfs/dbraw/zinc/36/11/29/801361129.db2.gz HHDWILMSGJHMFB-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816831 801361137 /nfs/dbraw/zinc/36/11/37/801361137.db2.gz HHDWILMSGJHMFB-SJORKVTESA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001184681954 802149720 /nfs/dbraw/zinc/14/97/20/802149720.db2.gz ACUDFWDNBLEHAL-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001004479475 802183481 /nfs/dbraw/zinc/18/34/81/802183481.db2.gz FXKPHKVGEKUAPD-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004479475 802183484 /nfs/dbraw/zinc/18/34/84/802183484.db2.gz FXKPHKVGEKUAPD-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004479475 802183487 /nfs/dbraw/zinc/18/34/87/802183487.db2.gz FXKPHKVGEKUAPD-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185137516 802344735 /nfs/dbraw/zinc/34/47/35/802344735.db2.gz ZBZHLFWCUZLPLM-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185137516 802344744 /nfs/dbraw/zinc/34/47/44/802344744.db2.gz ZBZHLFWCUZLPLM-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001108252764 802488038 /nfs/dbraw/zinc/48/80/38/802488038.db2.gz ZBVJXUQJCOLTQW-LJQANCHMSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001108252764 802488044 /nfs/dbraw/zinc/48/80/44/802488044.db2.gz ZBVJXUQJCOLTQW-LJQANCHMSA-N 2 1 348.491 2.180 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001004619031 802496701 /nfs/dbraw/zinc/49/67/01/802496701.db2.gz JPKIYNGMKXWOLV-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004619031 802496705 /nfs/dbraw/zinc/49/67/05/802496705.db2.gz JPKIYNGMKXWOLV-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001004619031 802496708 /nfs/dbraw/zinc/49/67/08/802496708.db2.gz JPKIYNGMKXWOLV-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001108283593 803159532 /nfs/dbraw/zinc/15/95/32/803159532.db2.gz HZGDENURDKPDJD-MJGOQNOKSA-N 2 1 339.524 2.136 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001108283593 803159534 /nfs/dbraw/zinc/15/95/34/803159534.db2.gz HZGDENURDKPDJD-MJGOQNOKSA-N 2 1 339.524 2.136 20 30 EEEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)[NH+](C)C ZINC001109446124 805479612 /nfs/dbraw/zinc/47/96/12/805479612.db2.gz LMUFXGVVFDCKNE-WCIQWLHISA-N 2 1 339.483 2.100 20 30 EEEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)[NH+](C)C ZINC001109446124 805479615 /nfs/dbraw/zinc/47/96/15/805479615.db2.gz LMUFXGVVFDCKNE-WCIQWLHISA-N 2 1 339.483 2.100 20 30 EEEDMP CCOC(=O)[C@H](C#N)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001170373002 809928311 /nfs/dbraw/zinc/92/83/11/809928311.db2.gz DPTATJTYTOPLKK-HOCLYGCPSA-N 2 1 341.415 2.218 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001129418536 810832208 /nfs/dbraw/zinc/83/22/08/810832208.db2.gz ULXQEBQYVMNQDB-IBGZPJMESA-N 2 1 327.472 2.007 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001436922754 1088583771 /nfs/dbraw/zinc/58/37/71/1088583771.db2.gz CZGWCSXNRKOYMA-HDJSIYSDSA-N 2 1 334.489 2.088 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445448431 1091210364 /nfs/dbraw/zinc/21/03/64/1091210364.db2.gz SJVWMOPJOQYWQT-OAHLLOKOSA-N 2 1 339.443 2.173 20 30 EEEDMP C=C(C)Cn1c([C@H]2CCCN2C)nnc1N1CCN(C2CCC2)CC1 ZINC001523991365 1119947842 /nfs/dbraw/zinc/94/78/42/1119947842.db2.gz KVERJAITZIVCAR-QGZVFWFLSA-N 2 1 344.507 2.295 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000491620769 246084786 /nfs/dbraw/zinc/08/47/86/246084786.db2.gz GHEMUMCQYFSBCF-MRXNPFEDSA-N 2 1 328.378 2.154 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000491620769 246084789 /nfs/dbraw/zinc/08/47/89/246084789.db2.gz GHEMUMCQYFSBCF-MRXNPFEDSA-N 2 1 328.378 2.154 20 30 EEEDMP Cn1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1C#N ZINC000520686318 268128676 /nfs/dbraw/zinc/12/86/76/268128676.db2.gz JVRQPFUFEAKOEB-KRWDZBQOSA-N 2 1 343.500 2.037 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000328050219 465056984 /nfs/dbraw/zinc/05/69/84/465056984.db2.gz ZDSPDYUPVDJSGX-CQSZACIVSA-N 2 1 345.270 2.278 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000328050219 465056988 /nfs/dbraw/zinc/05/69/88/465056988.db2.gz ZDSPDYUPVDJSGX-CQSZACIVSA-N 2 1 345.270 2.278 20 30 EEEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000329265706 465284398 /nfs/dbraw/zinc/28/43/98/465284398.db2.gz FJQRBXLBXDCABW-GDBMZVCRSA-N 2 1 331.464 2.050 20 30 EEEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N1CCOCC1 ZINC000104162721 463409444 /nfs/dbraw/zinc/40/94/44/463409444.db2.gz BVQDMGYLCGFUKI-MRXNPFEDSA-N 2 1 330.476 2.208 20 30 EEEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccn3)c2)CCO1 ZINC000170910738 463739958 /nfs/dbraw/zinc/73/99/58/463739958.db2.gz QFPPFRZEZCZDIC-HNNXBMFYSA-N 2 1 339.443 2.229 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccn3)c2)CCO1 ZINC000170910738 463739964 /nfs/dbraw/zinc/73/99/64/463739964.db2.gz QFPPFRZEZCZDIC-HNNXBMFYSA-N 2 1 339.443 2.229 20 30 EEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000543206970 468391742 /nfs/dbraw/zinc/39/17/42/468391742.db2.gz IEKGXCUMHLXEKE-HXUWFJFHSA-N 2 1 326.488 2.353 20 30 EEEDMP COCC[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000285535280 464601398 /nfs/dbraw/zinc/60/13/98/464601398.db2.gz BWHFXEHXIHNEPQ-UHFFFAOYSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(OC)c1 ZINC000247080777 464648617 /nfs/dbraw/zinc/64/86/17/464648617.db2.gz HUJDFNJZBYEOKJ-QZTJIDSGSA-N 2 1 348.487 2.047 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(OC)c1 ZINC000247080777 464648621 /nfs/dbraw/zinc/64/86/21/464648621.db2.gz HUJDFNJZBYEOKJ-QZTJIDSGSA-N 2 1 348.487 2.047 20 30 EEEDMP C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000272832610 464690631 /nfs/dbraw/zinc/69/06/31/464690631.db2.gz IEONBQRCGOXEOO-CQSZACIVSA-N 2 1 333.457 2.432 20 30 EEEDMP C=C(C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000282501688 464842881 /nfs/dbraw/zinc/84/28/81/464842881.db2.gz NOYYSARJPZTXTM-GOSISDBHSA-N 2 1 337.414 2.336 20 30 EEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(Cc2ccccc2)CCC1 ZINC000268225214 464981517 /nfs/dbraw/zinc/98/15/17/464981517.db2.gz XHYNRALXSHGLRQ-UHFFFAOYSA-N 2 1 344.503 2.026 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329389928 465319954 /nfs/dbraw/zinc/31/99/54/465319954.db2.gz SCWZYMXJRHIFJN-INIZCTEOSA-N 2 1 331.464 2.296 20 30 EEEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000352429762 465527153 /nfs/dbraw/zinc/52/71/53/465527153.db2.gz BXARFBQXSRGOLQ-AQNXPRMDSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000352429762 465527157 /nfs/dbraw/zinc/52/71/57/465527157.db2.gz BXARFBQXSRGOLQ-AQNXPRMDSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000352429762 465527163 /nfs/dbraw/zinc/52/71/63/465527163.db2.gz BXARFBQXSRGOLQ-AQNXPRMDSA-N 2 1 339.483 2.227 20 30 EEEDMP C=CCC[C@H](O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352715916 465550744 /nfs/dbraw/zinc/55/07/44/465550744.db2.gz QGSVFBVTZNLEAA-FQEVSTJZSA-N 2 1 331.504 2.063 20 30 EEEDMP Cc1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1C#N ZINC000349302377 466058824 /nfs/dbraw/zinc/05/88/24/466058824.db2.gz WOYVWLSZUMKAAY-KRWDZBQOSA-N 2 1 326.488 2.467 20 30 EEEDMP C[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1C ZINC000433325385 467318283 /nfs/dbraw/zinc/31/82/83/467318283.db2.gz GDCAHINOKAXERP-MAUKXSAKSA-N 2 1 338.459 2.431 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C#N)C[C@@H]1C ZINC000528397527 467681701 /nfs/dbraw/zinc/68/17/01/467681701.db2.gz QMKBWWJHXZASJA-RYQLBKOJSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2C#N)C[C@@H]1C ZINC000528397527 467681707 /nfs/dbraw/zinc/68/17/07/467681707.db2.gz QMKBWWJHXZASJA-RYQLBKOJSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2C#N)C[C@@H]1C ZINC000528397527 467681710 /nfs/dbraw/zinc/68/17/10/467681710.db2.gz QMKBWWJHXZASJA-RYQLBKOJSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610371779 470008122 /nfs/dbraw/zinc/00/81/22/470008122.db2.gz MWANBHFEXUHIFX-RBUKOAKNSA-N 2 1 345.487 2.156 20 30 EEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610371779 470008128 /nfs/dbraw/zinc/00/81/28/470008128.db2.gz MWANBHFEXUHIFX-RBUKOAKNSA-N 2 1 345.487 2.156 20 30 EEEDMP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCc4[nH]cnc43)C2)c1 ZINC001020571656 675169307 /nfs/dbraw/zinc/16/93/07/675169307.db2.gz RTYGIVPEBRCUQZ-ULQDDVLXSA-N 2 1 349.438 2.138 20 30 EEEDMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CC[C@]2(CCOC2)C1 ZINC000261656919 676371248 /nfs/dbraw/zinc/37/12/48/676371248.db2.gz AGNIUYCPUNJYMH-LNLFQRSKSA-N 2 1 336.524 2.327 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021715186 676371864 /nfs/dbraw/zinc/37/18/64/676371864.db2.gz DQIDKCQJTPHVKZ-JKSUJKDBSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021715186 676371865 /nfs/dbraw/zinc/37/18/65/676371865.db2.gz DQIDKCQJTPHVKZ-JKSUJKDBSA-N 2 1 337.895 2.148 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001022220832 676742580 /nfs/dbraw/zinc/74/25/80/676742580.db2.gz RUEXFBCZSSLRDC-ZCNNSNEGSA-N 2 1 339.483 2.138 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001022220832 676742582 /nfs/dbraw/zinc/74/25/82/676742582.db2.gz RUEXFBCZSSLRDC-ZCNNSNEGSA-N 2 1 339.483 2.138 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC001024365990 679883413 /nfs/dbraw/zinc/88/34/13/679883413.db2.gz LSJXKQOZMRMZQM-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001024365990 679883414 /nfs/dbraw/zinc/88/34/14/679883414.db2.gz LSJXKQOZMRMZQM-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001024365990 679883415 /nfs/dbraw/zinc/88/34/15/679883415.db2.gz LSJXKQOZMRMZQM-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001024365990 679883416 /nfs/dbraw/zinc/88/34/16/679883416.db2.gz LSJXKQOZMRMZQM-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479950 679962750 /nfs/dbraw/zinc/96/27/50/679962750.db2.gz VEJDERXIJPGGRP-OALUTQOASA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811351 681462938 /nfs/dbraw/zinc/46/29/38/681462938.db2.gz RDNNXLPTLBJLPK-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2C/C=C\Cl)CC1 ZINC001024812357 681465594 /nfs/dbraw/zinc/46/55/94/681465594.db2.gz NXIQOIRGGASULF-OOYWPUHTSA-N 2 1 337.895 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2C/C=C\Cl)CC1 ZINC001024812357 681465597 /nfs/dbraw/zinc/46/55/97/681465597.db2.gz NXIQOIRGGASULF-OOYWPUHTSA-N 2 1 337.895 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845373 682343552 /nfs/dbraw/zinc/34/35/52/682343552.db2.gz JWGNWHVURQNDDG-CVEARBPZSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845373 682343556 /nfs/dbraw/zinc/34/35/56/682343556.db2.gz JWGNWHVURQNDDG-CVEARBPZSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845373 682343558 /nfs/dbraw/zinc/34/35/58/682343558.db2.gz JWGNWHVURQNDDG-CVEARBPZSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845373 682343559 /nfs/dbraw/zinc/34/35/59/682343559.db2.gz JWGNWHVURQNDDG-CVEARBPZSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978618303 693751824 /nfs/dbraw/zinc/75/18/24/693751824.db2.gz RRXHZPJSSXQEGY-MKXGPGLRSA-N 2 1 333.520 2.369 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978618303 693751827 /nfs/dbraw/zinc/75/18/27/693751827.db2.gz RRXHZPJSSXQEGY-MKXGPGLRSA-N 2 1 333.520 2.369 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978618303 693751830 /nfs/dbraw/zinc/75/18/30/693751830.db2.gz RRXHZPJSSXQEGY-MKXGPGLRSA-N 2 1 333.520 2.369 20 30 EEEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608721 685123053 /nfs/dbraw/zinc/12/30/53/685123053.db2.gz XXTMHKAIZWRRCH-WMZOPIPTSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608721 685123057 /nfs/dbraw/zinc/12/30/57/685123057.db2.gz XXTMHKAIZWRRCH-WMZOPIPTSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608721 685123060 /nfs/dbraw/zinc/12/30/60/685123060.db2.gz XXTMHKAIZWRRCH-WMZOPIPTSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974679276 685215983 /nfs/dbraw/zinc/21/59/83/685215983.db2.gz GSTGLXJNTWLNMG-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974679276 685215985 /nfs/dbraw/zinc/21/59/85/685215985.db2.gz GSTGLXJNTWLNMG-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974679276 685215990 /nfs/dbraw/zinc/21/59/90/685215990.db2.gz GSTGLXJNTWLNMG-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974679276 685215993 /nfs/dbraw/zinc/21/59/93/685215993.db2.gz GSTGLXJNTWLNMG-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP C[NH+]=C(NCCC1=CCCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179088277 686893910 /nfs/dbraw/zinc/89/39/10/686893910.db2.gz WDJCDXZBRMQGDS-GOSISDBHSA-N 2 1 334.508 2.106 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001009627771 688045866 /nfs/dbraw/zinc/04/58/66/688045866.db2.gz MKVATWGEYDTSPY-LJQANCHMSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000979097923 694178338 /nfs/dbraw/zinc/17/83/38/694178338.db2.gz AZLKPAXXFZNSRG-LDLYASANSA-N 2 1 327.472 2.232 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040272910 693141740 /nfs/dbraw/zinc/14/17/40/693141740.db2.gz ACIUHBUVTBJLLV-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040272910 693141746 /nfs/dbraw/zinc/14/17/46/693141746.db2.gz ACIUHBUVTBJLLV-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001088405768 1186812551 /nfs/dbraw/zinc/81/25/51/1186812551.db2.gz GLGZBIKFKCKINN-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034364389 1196153425 /nfs/dbraw/zinc/15/34/25/1196153425.db2.gz UBVFMFTVSJYVMM-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034364389 1196153426 /nfs/dbraw/zinc/15/34/26/1196153426.db2.gz UBVFMFTVSJYVMM-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001483795161 1191034738 /nfs/dbraw/zinc/03/47/38/1191034738.db2.gz PUEBTJHKLNAIOD-GOSISDBHSA-N 2 1 340.471 2.171 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001483795161 1191034743 /nfs/dbraw/zinc/03/47/43/1191034743.db2.gz PUEBTJHKLNAIOD-GOSISDBHSA-N 2 1 340.471 2.171 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960104 1195556995 /nfs/dbraw/zinc/55/69/95/1195556995.db2.gz YAVIZISHLNKJFB-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960104 1195556996 /nfs/dbraw/zinc/55/69/96/1195556996.db2.gz YAVIZISHLNKJFB-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(Cl)CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034364389 1196153418 /nfs/dbraw/zinc/15/34/18/1196153418.db2.gz UBVFMFTVSJYVMM-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034364389 1196153420 /nfs/dbraw/zinc/15/34/20/1196153420.db2.gz UBVFMFTVSJYVMM-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034364389 1196153423 /nfs/dbraw/zinc/15/34/23/1196153423.db2.gz UBVFMFTVSJYVMM-HRCADAONSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034476523 1196266595 /nfs/dbraw/zinc/26/65/95/1196266595.db2.gz DWMROADDKFNQLD-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001034972636 1196929572 /nfs/dbraw/zinc/92/95/72/1196929572.db2.gz GUNUMWNQJYDBET-PBHICJAKSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132125591 1199331600 /nfs/dbraw/zinc/33/16/00/1199331600.db2.gz XDUXSMOWTAFVSI-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccccc1C#N ZINC001132270080 1199509880 /nfs/dbraw/zinc/50/98/80/1199509880.db2.gz QKDBABINMWARLI-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1C#N ZINC001132270080 1199509883 /nfs/dbraw/zinc/50/98/83/1199509883.db2.gz QKDBABINMWARLI-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc[nH]n2)CC3)cc1C#N ZINC001275201998 1205279853 /nfs/dbraw/zinc/27/98/53/1205279853.db2.gz IOCCYWBJXSMILS-UHFFFAOYSA-N 2 1 338.459 2.108 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015230955 1224952908 /nfs/dbraw/zinc/95/29/08/1224952908.db2.gz AXHQEMSONDVXDQ-OAHLLOKOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217456 1208377546 /nfs/dbraw/zinc/37/75/46/1208377546.db2.gz YOQTWRBCDAJGRG-QRVBRYPASA-N 2 1 349.519 2.031 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947567629 1208624052 /nfs/dbraw/zinc/62/40/52/1208624052.db2.gz FYISDELILIAIEG-AEFFLSMTSA-N 2 1 327.472 2.007 20 30 EEEDMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000948056523 1208846750 /nfs/dbraw/zinc/84/67/50/1208846750.db2.gz KQBSPUDKNRODCU-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770714 1209363814 /nfs/dbraw/zinc/36/38/14/1209363814.db2.gz KVJSCLBHWLZANB-MSOLQXFVSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000948770714 1209363819 /nfs/dbraw/zinc/36/38/19/1209363819.db2.gz KVJSCLBHWLZANB-MSOLQXFVSA-N 2 1 342.487 2.090 20 30 EEEDMP C=CCN1CCOC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000949487287 1209710232 /nfs/dbraw/zinc/71/02/32/1209710232.db2.gz PEQNHMIKZFOKFN-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000949487287 1209710234 /nfs/dbraw/zinc/71/02/34/1209710234.db2.gz PEQNHMIKZFOKFN-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000949487287 1209710236 /nfs/dbraw/zinc/71/02/36/1209710236.db2.gz PEQNHMIKZFOKFN-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC000949487287 1209710238 /nfs/dbraw/zinc/71/02/38/1209710238.db2.gz PEQNHMIKZFOKFN-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC000949487287 1209710241 /nfs/dbraw/zinc/71/02/41/1209710241.db2.gz PEQNHMIKZFOKFN-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN(C)c1ccccc1F ZINC000303896096 1213922444 /nfs/dbraw/zinc/92/24/44/1213922444.db2.gz UFCACFXMSKHEAV-OAHLLOKOSA-N 2 1 335.471 2.041 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)CC1 ZINC000957559076 1215209372 /nfs/dbraw/zinc/20/93/72/1215209372.db2.gz AHPHZNAKDQNCRD-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957636106 1215281104 /nfs/dbraw/zinc/28/11/04/1215281104.db2.gz YJFQBAQHXNDKFS-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)Oc1cccc(F)c1 ZINC000304850392 1216108944 /nfs/dbraw/zinc/10/89/44/1216108944.db2.gz QTCNSVZULITZRF-HOTGVXAUSA-N 2 1 336.455 2.372 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000960674776 1216784424 /nfs/dbraw/zinc/78/44/24/1216784424.db2.gz CPZVWTCPJAAJHV-UXHICEINSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000960674776 1216784427 /nfs/dbraw/zinc/78/44/27/1216784427.db2.gz CPZVWTCPJAAJHV-UXHICEINSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccccc1 ZINC000960674776 1216784432 /nfs/dbraw/zinc/78/44/32/1216784432.db2.gz CPZVWTCPJAAJHV-UXHICEINSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccccc1 ZINC000960674776 1216784435 /nfs/dbraw/zinc/78/44/35/1216784435.db2.gz CPZVWTCPJAAJHV-UXHICEINSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961261130 1217116170 /nfs/dbraw/zinc/11/61/70/1217116170.db2.gz MTGCRFIOFDSYBF-PMACEKPBSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961289580 1217130468 /nfs/dbraw/zinc/13/04/68/1217130468.db2.gz BWENKXABGRAQPC-RTBURBONSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961379117 1217166098 /nfs/dbraw/zinc/16/60/98/1217166098.db2.gz QLUJPBRQDGSLHG-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963346152 1217540011 /nfs/dbraw/zinc/54/00/11/1217540011.db2.gz KFZNHWJRPQJADM-QZTJIDSGSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372590 1217569878 /nfs/dbraw/zinc/56/98/78/1217569878.db2.gz VSNVVMOPOLYPBH-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963372590 1217569881 /nfs/dbraw/zinc/56/98/81/1217569881.db2.gz VSNVVMOPOLYPBH-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000962304687 1217602468 /nfs/dbraw/zinc/60/24/68/1217602468.db2.gz CAQANJHJTQVOOT-VNCLNFNDSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326082 1221210576 /nfs/dbraw/zinc/21/05/76/1221210576.db2.gz CRFGNIIIIKQINK-FXAWDEMLSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968476011 1221335006 /nfs/dbraw/zinc/33/50/06/1221335006.db2.gz KUEIRHGDBPYFEE-MAUKXSAKSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968476011 1221335009 /nfs/dbraw/zinc/33/50/09/1221335009.db2.gz KUEIRHGDBPYFEE-MAUKXSAKSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001016655774 1226737449 /nfs/dbraw/zinc/73/74/49/1226737449.db2.gz SVBSZJKQTRITET-HOTGVXAUSA-N 2 1 328.460 2.307 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001016820165 1226903363 /nfs/dbraw/zinc/90/33/63/1226903363.db2.gz PDKIZSCMVWYAHK-AEFFLSMTSA-N 2 1 342.487 2.301 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001016828231 1226908916 /nfs/dbraw/zinc/90/89/16/1226908916.db2.gz DWYIWVSSIFEJAK-GJZGRUSLSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038369979 1229774102 /nfs/dbraw/zinc/77/41/02/1229774102.db2.gz ZHLXWZKQULKIDI-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133957 1230345348 /nfs/dbraw/zinc/34/53/48/1230345348.db2.gz MUPSAGYQNUJPBT-RTBURBONSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001039139879 1230354854 /nfs/dbraw/zinc/35/48/54/1230354854.db2.gz MCZLZYNJEFUARS-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139879 1230354858 /nfs/dbraw/zinc/35/48/58/1230354858.db2.gz MCZLZYNJEFUARS-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139879 1230354860 /nfs/dbraw/zinc/35/48/60/1230354860.db2.gz MCZLZYNJEFUARS-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228535 1230461472 /nfs/dbraw/zinc/46/14/72/1230461472.db2.gz IZWGAXRWRRBNRS-APWZRJJASA-N 2 1 336.439 2.284 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001039299088 1230515572 /nfs/dbraw/zinc/51/55/72/1230515572.db2.gz SUEQDINQOIICFY-MVCQKVDPSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4nc[nH]c43)C2)C1 ZINC001040387784 1231200138 /nfs/dbraw/zinc/20/01/38/1231200138.db2.gz JOZLJJAHSBGKLJ-KXBFYZLASA-N 2 1 328.460 2.330 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040399980 1231208555 /nfs/dbraw/zinc/20/85/55/1231208555.db2.gz QRPBISOXWXEKFA-RDJZCZTQSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040399980 1231208557 /nfs/dbraw/zinc/20/85/57/1231208557.db2.gz QRPBISOXWXEKFA-RDJZCZTQSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040528088 1231277161 /nfs/dbraw/zinc/27/71/61/1231277161.db2.gz JMSIGTHVPIYCEF-NVXWUHKLSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040528088 1231277164 /nfs/dbraw/zinc/27/71/64/1231277164.db2.gz JMSIGTHVPIYCEF-NVXWUHKLSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040528088 1231277165 /nfs/dbraw/zinc/27/71/65/1231277165.db2.gz JMSIGTHVPIYCEF-NVXWUHKLSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040528088 1231277166 /nfs/dbraw/zinc/27/71/66/1231277166.db2.gz JMSIGTHVPIYCEF-NVXWUHKLSA-N 2 1 325.884 2.005 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040731940 1231351224 /nfs/dbraw/zinc/35/12/24/1231351224.db2.gz FSAXQYRLVMUMNB-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040757701 1231359747 /nfs/dbraw/zinc/35/97/47/1231359747.db2.gz XGHNHXCCTPURBM-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041596749 1231615854 /nfs/dbraw/zinc/61/58/54/1231615854.db2.gz CAQTUFWYDAFDRZ-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041596749 1231615856 /nfs/dbraw/zinc/61/58/56/1231615856.db2.gz CAQTUFWYDAFDRZ-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847652 1231730150 /nfs/dbraw/zinc/73/01/50/1231730150.db2.gz TZVSAUPCZPAPHN-PZJWPPBQSA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847652 1231730152 /nfs/dbraw/zinc/73/01/52/1231730152.db2.gz TZVSAUPCZPAPHN-PZJWPPBQSA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042366966 1232048733 /nfs/dbraw/zinc/04/87/33/1232048733.db2.gz YPXKBFQOMXOUMO-UYAOXDASSA-N 2 1 339.483 2.308 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042368458 1232050332 /nfs/dbraw/zinc/05/03/32/1232050332.db2.gz QMEMAHAAXRLMLV-XLIONFOSSA-N 2 1 339.483 2.308 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045073478 1233485847 /nfs/dbraw/zinc/48/58/47/1233485847.db2.gz HFRBPMVBYAIWJC-OALUTQOASA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045073478 1233485853 /nfs/dbraw/zinc/48/58/53/1233485853.db2.gz HFRBPMVBYAIWJC-OALUTQOASA-N 2 1 343.515 2.245 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001045200579 1233576819 /nfs/dbraw/zinc/57/68/19/1233576819.db2.gz HKPRDNZMEGWSEK-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001045200580 1233576839 /nfs/dbraw/zinc/57/68/39/1233576839.db2.gz HKPRDNZMEGWSEK-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045966889 1234246772 /nfs/dbraw/zinc/24/67/72/1234246772.db2.gz IRVRXSPIEFFIBU-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045966889 1234246773 /nfs/dbraw/zinc/24/67/73/1234246773.db2.gz IRVRXSPIEFFIBU-AZUAARDMSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@]3(CC[N@H+](CCF)C3)C2)CC1 ZINC001045985840 1234280843 /nfs/dbraw/zinc/28/08/43/1234280843.db2.gz CZCCOOPEKCRQAW-HXUWFJFHSA-N 2 1 349.494 2.006 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046625337 1235008541 /nfs/dbraw/zinc/00/85/41/1235008541.db2.gz HWQAQVOHXNEWNJ-SFHVURJKSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046625337 1235008542 /nfs/dbraw/zinc/00/85/42/1235008542.db2.gz HWQAQVOHXNEWNJ-SFHVURJKSA-N 2 1 332.448 2.041 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001046849334 1235246811 /nfs/dbraw/zinc/24/68/11/1235246811.db2.gz CWPBHZFHXLVUFS-OAQYLSRUSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001046946510 1235340401 /nfs/dbraw/zinc/34/04/01/1235340401.db2.gz WGYWAJLSDKRXPF-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001046946510 1235340404 /nfs/dbraw/zinc/34/04/04/1235340404.db2.gz WGYWAJLSDKRXPF-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001046946510 1235340407 /nfs/dbraw/zinc/34/04/07/1235340407.db2.gz WGYWAJLSDKRXPF-GJZGRUSLSA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046951370 1235347498 /nfs/dbraw/zinc/34/74/98/1235347498.db2.gz BLOAKWMZQLOHIQ-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046951370 1235347499 /nfs/dbraw/zinc/34/74/99/1235347499.db2.gz BLOAKWMZQLOHIQ-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048531834 1237887547 /nfs/dbraw/zinc/88/75/47/1237887547.db2.gz GVMVTWVIZSEABU-YSTOQKLRSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001048531834 1237887557 /nfs/dbraw/zinc/88/75/57/1237887557.db2.gz GVMVTWVIZSEABU-YSTOQKLRSA-N 2 1 345.531 2.347 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001048531834 1237887565 /nfs/dbraw/zinc/88/75/65/1237887565.db2.gz GVMVTWVIZSEABU-YSTOQKLRSA-N 2 1 345.531 2.347 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049058612 1239884057 /nfs/dbraw/zinc/88/40/57/1239884057.db2.gz GTPPQMMPMYLZOX-FCEWJHQRSA-N 2 1 337.483 2.165 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049058612 1239884072 /nfs/dbraw/zinc/88/40/72/1239884072.db2.gz GTPPQMMPMYLZOX-FCEWJHQRSA-N 2 1 337.483 2.165 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049058612 1239884078 /nfs/dbraw/zinc/88/40/78/1239884078.db2.gz GTPPQMMPMYLZOX-FCEWJHQRSA-N 2 1 337.483 2.165 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001049061289 1239894269 /nfs/dbraw/zinc/89/42/69/1239894269.db2.gz YBOZCBCXUYZKMP-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001049061289 1239894278 /nfs/dbraw/zinc/89/42/78/1239894278.db2.gz YBOZCBCXUYZKMP-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001000194168 1240050007 /nfs/dbraw/zinc/05/00/07/1240050007.db2.gz UVZZZYODNCVDOO-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049235070 1240338155 /nfs/dbraw/zinc/33/81/55/1240338155.db2.gz RTZHKKVBRPYFLQ-OTWHNJEPSA-N 2 1 327.472 2.256 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049235070 1240338166 /nfs/dbraw/zinc/33/81/66/1240338166.db2.gz RTZHKKVBRPYFLQ-OTWHNJEPSA-N 2 1 327.472 2.256 20 30 EEEDMP C=C(Cl)CN1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001000697539 1240753027 /nfs/dbraw/zinc/75/30/27/1240753027.db2.gz XVFZHZAEPLWKBO-JKSUJKDBSA-N 2 1 325.884 2.218 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001000787884 1240938666 /nfs/dbraw/zinc/93/86/66/1240938666.db2.gz KOZANAPQHAOTNJ-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001000787884 1240938673 /nfs/dbraw/zinc/93/86/73/1240938673.db2.gz KOZANAPQHAOTNJ-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001000787884 1240938681 /nfs/dbraw/zinc/93/86/81/1240938681.db2.gz KOZANAPQHAOTNJ-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001000787884 1240938688 /nfs/dbraw/zinc/93/86/88/1240938688.db2.gz KOZANAPQHAOTNJ-FQEVSTJZSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514652 1241188334 /nfs/dbraw/zinc/18/83/34/1241188334.db2.gz IFYLXYKLFVDNQT-GBESFXJTSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514652 1241188340 /nfs/dbraw/zinc/18/83/40/1241188340.db2.gz IFYLXYKLFVDNQT-GBESFXJTSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514652 1241188346 /nfs/dbraw/zinc/18/83/46/1241188346.db2.gz IFYLXYKLFVDNQT-GBESFXJTSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001000998695 1241413067 /nfs/dbraw/zinc/41/30/67/1241413067.db2.gz MCKJDDPOYOOZSP-UHFFFAOYSA-N 2 1 339.483 2.176 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001049673791 1241842909 /nfs/dbraw/zinc/84/29/09/1241842909.db2.gz ZOBIZPMYFPPRNZ-RYQLBKOJSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001049673791 1241842912 /nfs/dbraw/zinc/84/29/12/1241842912.db2.gz ZOBIZPMYFPPRNZ-RYQLBKOJSA-N 2 1 328.460 2.005 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049719556 1241983428 /nfs/dbraw/zinc/98/34/28/1241983428.db2.gz MUPPQKOVGGDSNF-WOJBJXKFSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001049720938 1241988544 /nfs/dbraw/zinc/98/85/44/1241988544.db2.gz UZOKHZRZTRXHJN-HLIPFELVSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049720938 1241988557 /nfs/dbraw/zinc/98/85/57/1241988557.db2.gz UZOKHZRZTRXHJN-HLIPFELVSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049720938 1241988564 /nfs/dbraw/zinc/98/85/64/1241988564.db2.gz UZOKHZRZTRXHJN-HLIPFELVSA-N 2 1 349.494 2.288 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049767759 1242135536 /nfs/dbraw/zinc/13/55/36/1242135536.db2.gz RAQDQLIZOVFBBN-OTWHNJEPSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049767759 1242135538 /nfs/dbraw/zinc/13/55/38/1242135538.db2.gz RAQDQLIZOVFBBN-OTWHNJEPSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049767759 1242135541 /nfs/dbraw/zinc/13/55/41/1242135541.db2.gz RAQDQLIZOVFBBN-OTWHNJEPSA-N 2 1 331.504 2.338 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001001403632 1242205475 /nfs/dbraw/zinc/20/54/75/1242205475.db2.gz AIZQVIFSKOCUHS-LJQANCHMSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049918850 1242708011 /nfs/dbraw/zinc/70/80/11/1242708011.db2.gz MZLPFAREMMIRGV-GUDVDZBRSA-N 2 1 331.504 2.195 20 30 EEEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cccc2C1 ZINC001051288998 1245482596 /nfs/dbraw/zinc/48/25/96/1245482596.db2.gz BAUCYDTYFPQWOO-CRAIPNDOSA-N 2 1 327.472 2.187 20 30 EEEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051288998 1245482598 /nfs/dbraw/zinc/48/25/98/1245482598.db2.gz BAUCYDTYFPQWOO-CRAIPNDOSA-N 2 1 327.472 2.187 20 30 EEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051288998 1245482599 /nfs/dbraw/zinc/48/25/99/1245482599.db2.gz BAUCYDTYFPQWOO-CRAIPNDOSA-N 2 1 327.472 2.187 20 30 EEEDMP C#CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)cccc2C1 ZINC001051288882 1245482946 /nfs/dbraw/zinc/48/29/46/1245482946.db2.gz ZAZCIHHPKXTRES-FQEVSTJZSA-N 2 1 339.483 2.167 20 30 EEEDMP C#CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)cccc2C1 ZINC001051288882 1245482954 /nfs/dbraw/zinc/48/29/54/1245482954.db2.gz ZAZCIHHPKXTRES-FQEVSTJZSA-N 2 1 339.483 2.167 20 30 EEEDMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)cccc2C1 ZINC001051288882 1245482956 /nfs/dbraw/zinc/48/29/56/1245482956.db2.gz ZAZCIHHPKXTRES-FQEVSTJZSA-N 2 1 339.483 2.167 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053027605 1245705714 /nfs/dbraw/zinc/70/57/14/1245705714.db2.gz FKUAVYBORIJJST-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027605 1245705719 /nfs/dbraw/zinc/70/57/19/1245705719.db2.gz FKUAVYBORIJJST-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053027605 1245705726 /nfs/dbraw/zinc/70/57/26/1245705726.db2.gz FKUAVYBORIJJST-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001052254719 1246778705 /nfs/dbraw/zinc/77/87/05/1246778705.db2.gz OJMSLYGVNBJGMV-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001052254719 1246778710 /nfs/dbraw/zinc/77/87/10/1246778710.db2.gz OJMSLYGVNBJGMV-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001052254719 1246778714 /nfs/dbraw/zinc/77/87/14/1246778714.db2.gz OJMSLYGVNBJGMV-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)CO2 ZINC001053855229 1246916572 /nfs/dbraw/zinc/91/65/72/1246916572.db2.gz IGYGUWKWAWCBQA-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)CO2 ZINC001053855229 1246916578 /nfs/dbraw/zinc/91/65/78/1246916578.db2.gz IGYGUWKWAWCBQA-QZTJIDSGSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001054101144 1247405834 /nfs/dbraw/zinc/40/58/34/1247405834.db2.gz RHXHJMYXMAELOB-DOTOQJQBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054101144 1247405837 /nfs/dbraw/zinc/40/58/37/1247405837.db2.gz RHXHJMYXMAELOB-DOTOQJQBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054101144 1247405841 /nfs/dbraw/zinc/40/58/41/1247405841.db2.gz RHXHJMYXMAELOB-DOTOQJQBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054133533 1247484150 /nfs/dbraw/zinc/48/41/50/1247484150.db2.gz FMZSSLJUMAHGMY-AZUAARDMSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171472 1247597587 /nfs/dbraw/zinc/59/75/87/1247597587.db2.gz RFWAWZWYKVJGQW-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+]4CCC3CC4)cc2C1 ZINC001054265328 1247936867 /nfs/dbraw/zinc/93/68/67/1247936867.db2.gz KKFXVOHDYGNSDH-IBGZPJMESA-N 2 1 325.456 2.146 20 30 EEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+]4CCC3CC4)cc2C1 ZINC001054265328 1247936877 /nfs/dbraw/zinc/93/68/77/1247936877.db2.gz KKFXVOHDYGNSDH-IBGZPJMESA-N 2 1 325.456 2.146 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001071175795 1254031480 /nfs/dbraw/zinc/03/14/80/1254031480.db2.gz LEGSEUVQFNIXRM-IEBWSBKVSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547427 1254317729 /nfs/dbraw/zinc/31/77/29/1254317729.db2.gz UMEJKTYFDLCHER-GOEBONIOSA-N 2 1 333.501 2.416 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547427 1254317738 /nfs/dbraw/zinc/31/77/38/1254317738.db2.gz UMEJKTYFDLCHER-GOEBONIOSA-N 2 1 333.501 2.416 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099002459 1257924843 /nfs/dbraw/zinc/92/48/43/1257924843.db2.gz ZKLODMGHHYFNKW-UWVAXJGDSA-N 2 1 342.487 2.301 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099002459 1257924849 /nfs/dbraw/zinc/92/48/49/1257924849.db2.gz ZKLODMGHHYFNKW-UWVAXJGDSA-N 2 1 342.487 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C=C/Cl)C3)CC1 ZINC001099174224 1257993536 /nfs/dbraw/zinc/99/35/36/1257993536.db2.gz DVQIHNVSXXWDDU-LOSJWCKOSA-N 2 1 349.906 2.055 20 30 EEEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCCCCC ZINC001099536241 1258194076 /nfs/dbraw/zinc/19/40/76/1258194076.db2.gz KHGZNZVPABBIQN-NMLBUPMWSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCCCCC ZINC001099536241 1258194080 /nfs/dbraw/zinc/19/40/80/1258194080.db2.gz KHGZNZVPABBIQN-NMLBUPMWSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCCCCC ZINC001099536241 1258194085 /nfs/dbraw/zinc/19/40/85/1258194085.db2.gz KHGZNZVPABBIQN-NMLBUPMWSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099552255 1258200294 /nfs/dbraw/zinc/20/02/94/1258200294.db2.gz KARHBJNSOCICPY-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099552255 1258200296 /nfs/dbraw/zinc/20/02/96/1258200296.db2.gz KARHBJNSOCICPY-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099552255 1258200302 /nfs/dbraw/zinc/20/03/02/1258200302.db2.gz KARHBJNSOCICPY-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001100898632 1259410168 /nfs/dbraw/zinc/41/01/68/1259410168.db2.gz RYDPCTKLNUKOMX-UHFFFAOYSA-N 2 1 342.487 2.275 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001135436810 1278318629 /nfs/dbraw/zinc/31/86/29/1278318629.db2.gz ADYIGMIWGVUAOG-UHFFFAOYSA-N 2 1 348.466 2.415 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075882234 1277788502 /nfs/dbraw/zinc/78/85/02/1277788502.db2.gz BLTAPDACEFQDJC-YESZJQIVSA-N 2 1 328.460 2.259 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075882234 1277788506 /nfs/dbraw/zinc/78/85/06/1277788506.db2.gz BLTAPDACEFQDJC-YESZJQIVSA-N 2 1 328.460 2.259 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001191020421 1281180271 /nfs/dbraw/zinc/18/02/71/1281180271.db2.gz XHEJWVPVQZQIIF-CQSZACIVSA-N 2 1 348.516 2.383 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001191020421 1281180277 /nfs/dbraw/zinc/18/02/77/1281180277.db2.gz XHEJWVPVQZQIIF-CQSZACIVSA-N 2 1 348.516 2.383 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001191020421 1281180286 /nfs/dbraw/zinc/18/02/86/1281180286.db2.gz XHEJWVPVQZQIIF-CQSZACIVSA-N 2 1 348.516 2.383 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193292396 1282428624 /nfs/dbraw/zinc/42/86/24/1282428624.db2.gz OBPJJWJFVYYFQA-LJQANCHMSA-N 2 1 345.462 2.052 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193292396 1282428630 /nfs/dbraw/zinc/42/86/30/1282428630.db2.gz OBPJJWJFVYYFQA-LJQANCHMSA-N 2 1 345.462 2.052 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193292396 1282428635 /nfs/dbraw/zinc/42/86/35/1282428635.db2.gz OBPJJWJFVYYFQA-LJQANCHMSA-N 2 1 345.462 2.052 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC001194286238 1282979325 /nfs/dbraw/zinc/97/93/25/1282979325.db2.gz XHVUYXQXTOJBGG-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)C1 ZINC001194286238 1282979331 /nfs/dbraw/zinc/97/93/31/1282979331.db2.gz XHVUYXQXTOJBGG-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)C1 ZINC001194286238 1282979334 /nfs/dbraw/zinc/97/93/34/1282979334.db2.gz XHVUYXQXTOJBGG-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001194286238 1282979336 /nfs/dbraw/zinc/97/93/36/1282979336.db2.gz XHVUYXQXTOJBGG-KRWDZBQOSA-N 2 1 346.450 2.070 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](CCCC#N)CC3)cc1C#N ZINC001277943405 1305222630 /nfs/dbraw/zinc/22/26/30/1305222630.db2.gz VZKGIYPWXWESKP-UHFFFAOYSA-N 2 1 325.460 2.488 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCCO1 ZINC001201547814 1289643959 /nfs/dbraw/zinc/64/39/59/1289643959.db2.gz SYVQKHVEXKMPMV-KRWDZBQOSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202148532 1289931094 /nfs/dbraw/zinc/93/10/94/1289931094.db2.gz XMYQXZAGJIMVIS-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702452 1294757081 /nfs/dbraw/zinc/75/70/81/1294757081.db2.gz ZTJFOSWCDLEDAA-IEBWSBKVSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216351628 1297143732 /nfs/dbraw/zinc/14/37/32/1297143732.db2.gz FYNKHLRSVZSABM-BHIYHBOVSA-N 2 1 327.472 2.139 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099059942 1298840317 /nfs/dbraw/zinc/84/03/17/1298840317.db2.gz RHGSUAXEFDQYKY-BJLQDIEVSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001099295727 1299002164 /nfs/dbraw/zinc/00/21/64/1299002164.db2.gz QQYXDYZLMHDVPM-RRFJBIMHSA-N 2 1 347.425 2.273 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099349868 1299071674 /nfs/dbraw/zinc/07/16/74/1299071674.db2.gz UREXDHBNDQCLPS-ROUUACIJSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099349868 1299071682 /nfs/dbraw/zinc/07/16/82/1299071682.db2.gz UREXDHBNDQCLPS-ROUUACIJSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873443 1299149582 /nfs/dbraw/zinc/14/95/82/1299149582.db2.gz ZWJKVTJYECRSDO-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873443 1299149589 /nfs/dbraw/zinc/14/95/89/1299149589.db2.gz ZWJKVTJYECRSDO-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001223578412 1300179892 /nfs/dbraw/zinc/17/98/92/1300179892.db2.gz WPRTZZPEPCRZLX-RTBURBONSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001225563985 1301064580 /nfs/dbraw/zinc/06/45/80/1301064580.db2.gz ONIPLWSUGKTKHW-UHFFFAOYSA-N 2 1 327.900 2.443 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001103050121 1302129836 /nfs/dbraw/zinc/12/98/36/1302129836.db2.gz SXPVGGPNIVIAFS-BMFZPTHFSA-N 2 1 347.906 2.493 20 30 EEEDMP CC[C@@H](C(=O)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001229223229 1302682357 /nfs/dbraw/zinc/68/23/57/1302682357.db2.gz LUCZERYPXXCECK-IBGZPJMESA-N 2 1 345.462 2.098 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103756041 1303300994 /nfs/dbraw/zinc/30/09/94/1303300994.db2.gz WGPOCLMKPCQGLP-GUDVDZBRSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001104213560 1303652569 /nfs/dbraw/zinc/65/25/69/1303652569.db2.gz DUYPHAWAXOTOQZ-KZNAEPCWSA-N 2 1 344.503 2.494 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166269 1304290502 /nfs/dbraw/zinc/29/05/02/1304290502.db2.gz MAOMNSWRPKNBII-RRFJBIMHSA-N 2 1 347.425 2.273 20 30 EEEDMP C(#Cc1ccccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2)c1ccccc1 ZINC001234990435 1305076837 /nfs/dbraw/zinc/07/68/37/1305076837.db2.gz SSXFKEKPWFLRFZ-QFIPXVFZSA-N 2 1 331.463 2.224 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120448478 1309545437 /nfs/dbraw/zinc/54/54/37/1309545437.db2.gz AQXMCTQTFYWRRS-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448478 1309545444 /nfs/dbraw/zinc/54/54/44/1309545444.db2.gz AQXMCTQTFYWRRS-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448478 1309545448 /nfs/dbraw/zinc/54/54/48/1309545448.db2.gz AQXMCTQTFYWRRS-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@@H+]([C@@H](C)CCCC#N)C2 ZINC001246667540 1310376078 /nfs/dbraw/zinc/37/60/78/1310376078.db2.gz GYAGUQBBUNHJIX-CFVMTHIKSA-N 2 1 347.381 2.086 20 30 EEEDMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@H+]([C@@H](C)CCCC#N)C2 ZINC001246667540 1310376087 /nfs/dbraw/zinc/37/60/87/1310376087.db2.gz GYAGUQBBUNHJIX-CFVMTHIKSA-N 2 1 347.381 2.086 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000836260663 1314979803 /nfs/dbraw/zinc/97/98/03/1314979803.db2.gz YWHQTQHTGFISGP-UHFFFAOYSA-N 2 1 348.535 2.285 20 30 EEEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149847628 1316065293 /nfs/dbraw/zinc/06/52/93/1316065293.db2.gz GCFBHXUZUDCSKN-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149847628 1316065298 /nfs/dbraw/zinc/06/52/98/1316065298.db2.gz GCFBHXUZUDCSKN-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149847628 1316065301 /nfs/dbraw/zinc/06/53/01/1316065301.db2.gz GCFBHXUZUDCSKN-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451861 1316268363 /nfs/dbraw/zinc/26/83/63/1316268363.db2.gz ARYZCKTYTAGLAK-ZWKOTPCHSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150725453 1316355176 /nfs/dbraw/zinc/35/51/76/1316355176.db2.gz VUEJXCMKZGUFAU-GOSISDBHSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150725453 1316355183 /nfs/dbraw/zinc/35/51/83/1316355183.db2.gz VUEJXCMKZGUFAU-GOSISDBHSA-N 2 1 348.491 2.145 20 30 EEEDMP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001151248488 1316488374 /nfs/dbraw/zinc/48/83/74/1316488374.db2.gz NYFICXKZENZSIA-KRWDZBQOSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001151410153 1316525595 /nfs/dbraw/zinc/52/55/95/1316525595.db2.gz RRLMIMZSGILNAR-UHFFFAOYSA-N 2 1 348.491 2.145 20 30 EEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083301 1316952576 /nfs/dbraw/zinc/95/25/76/1316952576.db2.gz PZJGEBZSYBQFKM-OAHLLOKOSA-N 2 1 338.883 2.487 20 30 EEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083301 1316952579 /nfs/dbraw/zinc/95/25/79/1316952579.db2.gz PZJGEBZSYBQFKM-OAHLLOKOSA-N 2 1 338.883 2.487 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067363 1317441690 /nfs/dbraw/zinc/44/16/90/1317441690.db2.gz XOZRQQBCKWTGFQ-VQIMIIECSA-N 2 1 344.503 2.471 20 30 EEEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC#Cc1ccc(F)cc1 ZINC001155900290 1317781055 /nfs/dbraw/zinc/78/10/55/1317781055.db2.gz KEIYPVMRYVMNSX-QGZVFWFLSA-N 2 1 347.478 2.346 20 30 EEEDMP CCN(Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200782 1317918377 /nfs/dbraw/zinc/91/83/77/1317918377.db2.gz PUHOMOJEWZFZLV-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)CC1 ZINC001254509411 1318092011 /nfs/dbraw/zinc/09/20/11/1318092011.db2.gz GDGURXRDQDFEDV-QGZVFWFLSA-N 2 1 340.471 2.237 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927263 1318294146 /nfs/dbraw/zinc/29/41/46/1318294146.db2.gz IYMJNMUVUCACTB-OAHLLOKOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001159909776 1320018395 /nfs/dbraw/zinc/01/83/95/1320018395.db2.gz NFIVAUQBVVBPRH-LJQANCHMSA-N 2 1 342.487 2.417 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl)C1CCC1 ZINC001159997680 1320045986 /nfs/dbraw/zinc/04/59/86/1320045986.db2.gz XWTJWOJHRVTQOA-UHFFFAOYSA-N 2 1 347.890 2.272 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001160273708 1320119453 /nfs/dbraw/zinc/11/94/53/1320119453.db2.gz NRFZDZDJDVCWFK-AWEZNQCLSA-N 2 1 334.489 2.090 20 30 EEEDMP CC#CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001161986976 1320708726 /nfs/dbraw/zinc/70/87/26/1320708726.db2.gz PMKLRTVMNNXPAG-UHFFFAOYSA-N 2 1 339.483 2.280 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001161986976 1320708730 /nfs/dbraw/zinc/70/87/30/1320708730.db2.gz PMKLRTVMNNXPAG-UHFFFAOYSA-N 2 1 339.483 2.280 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001161986976 1320708733 /nfs/dbraw/zinc/70/87/33/1320708733.db2.gz PMKLRTVMNNXPAG-UHFFFAOYSA-N 2 1 339.483 2.280 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001161986976 1320708736 /nfs/dbraw/zinc/70/87/36/1320708736.db2.gz PMKLRTVMNNXPAG-UHFFFAOYSA-N 2 1 339.483 2.280 20 30 EEEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](C[C@@H]2CCCCO2)CC3)cc1C#N ZINC001276442655 1322049700 /nfs/dbraw/zinc/04/97/00/1322049700.db2.gz DYQUIFIZXHCAIQ-IBGZPJMESA-N 2 1 342.487 2.364 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2c(C)cccc2C)CC1 ZINC001262568193 1322325222 /nfs/dbraw/zinc/32/52/22/1322325222.db2.gz OBMDTOKVTMOXTL-IBGZPJMESA-N 2 1 330.472 2.120 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208048266 1324287337 /nfs/dbraw/zinc/28/73/37/1324287337.db2.gz FSFOZECIIVQNMM-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208123763 1324326737 /nfs/dbraw/zinc/32/67/37/1324326737.db2.gz RZQZJOLVBQXHDO-UKRRQHHQSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208123763 1324326730 /nfs/dbraw/zinc/32/67/30/1324326730.db2.gz RZQZJOLVBQXHDO-UKRRQHHQSA-N 2 1 327.900 2.440 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001208453702 1324506211 /nfs/dbraw/zinc/50/62/11/1324506211.db2.gz NJBNBBZMJNNGMQ-SFHVURJKSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576101 1324570807 /nfs/dbraw/zinc/57/08/07/1324570807.db2.gz CGORAGDFNMCXCX-INIZCTEOSA-N 2 1 330.476 2.309 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001209650519 1325000163 /nfs/dbraw/zinc/00/01/63/1325000163.db2.gz IUDWTLBTKLDJQH-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC001336779181 1336593531 /nfs/dbraw/zinc/59/35/31/1336593531.db2.gz IGJIEGOCPXEKNC-KRWDZBQOSA-N 2 1 336.863 2.157 20 30 EEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCCO1 ZINC001200704711 1338536120 /nfs/dbraw/zinc/53/61/20/1338536120.db2.gz PFNJBCYSPJNGGQ-FUHWJXTLSA-N 2 1 337.508 2.033 20 30 EEEDMP N#Cc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC001580075992 1344466367 /nfs/dbraw/zinc/46/63/67/1344466367.db2.gz MQAVREMZADTJEM-RTBURBONSA-N 2 1 340.471 2.029 20 30 EEEDMP N#Cc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC001580075992 1344466370 /nfs/dbraw/zinc/46/63/70/1344466370.db2.gz MQAVREMZADTJEM-RTBURBONSA-N 2 1 340.471 2.029 20 30 EEEDMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001134759739 1367779341 /nfs/dbraw/zinc/77/93/41/1367779341.db2.gz ZVHVGSGRVTWEQA-GOSISDBHSA-N 2 1 346.450 2.166 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001134759739 1367779346 /nfs/dbraw/zinc/77/93/46/1367779346.db2.gz ZVHVGSGRVTWEQA-GOSISDBHSA-N 2 1 346.450 2.166 20 30 EEEDMP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)CCC1 ZINC001389368428 1388077540 /nfs/dbraw/zinc/07/75/40/1388077540.db2.gz GOLBDDLOAWTVFX-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)CCC1 ZINC001389368428 1388077547 /nfs/dbraw/zinc/07/75/47/1388077547.db2.gz GOLBDDLOAWTVFX-SFHVURJKSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CCCCC1 ZINC001115544938 1371668401 /nfs/dbraw/zinc/66/84/01/1371668401.db2.gz JBXBZBFAIHMZAQ-INIZCTEOSA-N 2 1 330.476 2.439 20 30 EEEDMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001366181687 1373820398 /nfs/dbraw/zinc/82/03/98/1373820398.db2.gz RGCSYXBTCGQQDK-MOPGFXCFSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001370960168 1375167382 /nfs/dbraw/zinc/16/73/82/1375167382.db2.gz IIHXYWLFTKFGGJ-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC001754312047 1406887609 /nfs/dbraw/zinc/88/76/09/1406887609.db2.gz VWMWSQTWIKIKIY-UYAOXDASSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001754312047 1406887616 /nfs/dbraw/zinc/88/76/16/1406887616.db2.gz VWMWSQTWIKIKIY-UYAOXDASSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001754312047 1406887620 /nfs/dbraw/zinc/88/76/20/1406887620.db2.gz VWMWSQTWIKIKIY-UYAOXDASSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001754312047 1406887626 /nfs/dbraw/zinc/88/76/26/1406887626.db2.gz VWMWSQTWIKIKIY-UYAOXDASSA-N 2 1 341.499 2.347 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001401924674 1397668551 /nfs/dbraw/zinc/66/85/51/1397668551.db2.gz NDNZGFQRAONJCU-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001401924674 1397668555 /nfs/dbraw/zinc/66/85/55/1397668555.db2.gz NDNZGFQRAONJCU-IBGZPJMESA-N 2 1 340.471 2.125 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001401945159 1397681530 /nfs/dbraw/zinc/68/15/30/1397681530.db2.gz QTBGMLSPNDSUDM-GOSISDBHSA-N 2 1 340.471 2.169 20 30 EEEDMP C[NH+](C)CC1(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001423573725 1400646604 /nfs/dbraw/zinc/64/66/04/1400646604.db2.gz MAOVFONRRPUJKZ-QGZVFWFLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+](C)CC1(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001423573725 1400646608 /nfs/dbraw/zinc/64/66/08/1400646608.db2.gz MAOVFONRRPUJKZ-QGZVFWFLSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[C@@]1(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574515922 1403521669 /nfs/dbraw/zinc/52/16/69/1403521669.db2.gz BEPVZAPHFITKDK-NQIIRXRSSA-N 2 1 339.483 2.255 20 30 EEEDMP C[C@H]1C[C@H](C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001576600229 1403588978 /nfs/dbraw/zinc/58/89/78/1403588978.db2.gz ZKEYQTOMTMLXQZ-FXAWDEMLSA-N 2 1 326.488 2.454 20 30 EEEDMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001755851324 1407902869 /nfs/dbraw/zinc/90/28/69/1407902869.db2.gz HTFCXYQFDWMJHN-KBPBESRZSA-N 2 1 335.414 2.273 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001121232657 1410217990 /nfs/dbraw/zinc/21/79/90/1410217990.db2.gz HJUQHSWXEHINIF-FUSSNKQKSA-N 2 1 331.504 2.005 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001103632678 1410737335 /nfs/dbraw/zinc/73/73/35/1410737335.db2.gz RPPFBIFKTJTWIG-OPYAIIAOSA-N 2 1 341.499 2.171 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087828848 782322301 /nfs/dbraw/zinc/32/23/01/782322301.db2.gz XFPSHNUHTGHBFW-RRQGHBQHSA-N 2 1 346.500 2.041 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087828848 782322307 /nfs/dbraw/zinc/32/23/07/782322307.db2.gz XFPSHNUHTGHBFW-RRQGHBQHSA-N 2 1 346.500 2.041 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087828848 782322314 /nfs/dbraw/zinc/32/23/14/782322314.db2.gz XFPSHNUHTGHBFW-RRQGHBQHSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211623766 761183432 /nfs/dbraw/zinc/18/34/32/761183432.db2.gz SHAMVKPYNITIKH-ZCNNSNEGSA-N 2 1 339.483 2.078 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087314490 761596210 /nfs/dbraw/zinc/59/62/10/761596210.db2.gz LUWUOKXTFSZXQW-ZACQAIPSSA-N 2 1 331.504 2.264 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026318 782788031 /nfs/dbraw/zinc/78/80/31/782788031.db2.gz CMZZZKYJAREYPZ-CVEARBPZSA-N 2 1 337.895 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026318 782788033 /nfs/dbraw/zinc/78/80/33/782788033.db2.gz CMZZZKYJAREYPZ-CVEARBPZSA-N 2 1 337.895 2.148 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001213437963 770036338 /nfs/dbraw/zinc/03/63/38/770036338.db2.gz NNQORWSZYNHEHJ-RCCFBDPRSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001213437963 770036347 /nfs/dbraw/zinc/03/63/47/770036347.db2.gz NNQORWSZYNHEHJ-RCCFBDPRSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001213437963 770036357 /nfs/dbraw/zinc/03/63/57/770036357.db2.gz NNQORWSZYNHEHJ-RCCFBDPRSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088125342 782945565 /nfs/dbraw/zinc/94/55/65/782945565.db2.gz GBRJSWLFFPAFSE-SJORKVTESA-N 2 1 330.476 2.363 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088125342 782945569 /nfs/dbraw/zinc/94/55/69/782945569.db2.gz GBRJSWLFFPAFSE-SJORKVTESA-N 2 1 330.476 2.363 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213417 783066471 /nfs/dbraw/zinc/06/64/71/783066471.db2.gz ZYKHNGMFXKIZMN-AABGKKOBSA-N 2 1 339.483 2.093 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213417 783066475 /nfs/dbraw/zinc/06/64/75/783066475.db2.gz ZYKHNGMFXKIZMN-AABGKKOBSA-N 2 1 339.483 2.093 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980080090 773833456 /nfs/dbraw/zinc/83/34/56/773833456.db2.gz AJQWNFQRXGETMH-KSZLIROESA-N 2 1 331.504 2.408 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980215643 774125529 /nfs/dbraw/zinc/12/55/29/774125529.db2.gz HXXUTPVHKLGLHA-SLFFLAALSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCCC)C[C@H]3C2)CC1 ZINC000980257930 774203062 /nfs/dbraw/zinc/20/30/62/774203062.db2.gz VRDGBUZVOOBEMU-XUVXKRRUSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC)CC1 ZINC001089735445 774814648 /nfs/dbraw/zinc/81/46/48/774814648.db2.gz LCHXNHREPJAIHF-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001106910781 774985891 /nfs/dbraw/zinc/98/58/91/774985891.db2.gz OICFEZVSUNEJLD-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171247812 790463617 /nfs/dbraw/zinc/46/36/17/790463617.db2.gz OMZWDAGHOHYDBO-IRXDYDNUSA-N 2 1 348.491 2.228 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028102794 777665577 /nfs/dbraw/zinc/66/55/77/777665577.db2.gz GIWJSUUDMFBOHB-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028102794 777665581 /nfs/dbraw/zinc/66/55/81/777665581.db2.gz GIWJSUUDMFBOHB-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000981813694 778238455 /nfs/dbraw/zinc/23/84/55/778238455.db2.gz QIKWHPICDMRSDM-LJQANCHMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981992518 778796375 /nfs/dbraw/zinc/79/63/75/778796375.db2.gz XOLVGOMWLXHFGK-OAHLLOKOSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981992518 778796379 /nfs/dbraw/zinc/79/63/79/778796379.db2.gz XOLVGOMWLXHFGK-OAHLLOKOSA-N 2 1 327.900 2.250 20 30 EEEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982296084 779606481 /nfs/dbraw/zinc/60/64/81/779606481.db2.gz JLJWBNSCMWQZOA-RLLQIKCJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982296084 779606486 /nfs/dbraw/zinc/60/64/86/779606486.db2.gz JLJWBNSCMWQZOA-RLLQIKCJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394071 781772001 /nfs/dbraw/zinc/77/20/01/781772001.db2.gz NVUGAMZCWKSCNT-IBGZPJMESA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Br)C[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815757 783298478 /nfs/dbraw/zinc/29/84/78/783298478.db2.gz SFWATNNABGKRNS-UHFFFAOYSA-N 2 1 346.313 2.255 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001035051870 783658393 /nfs/dbraw/zinc/65/83/93/783658393.db2.gz SPCQQNQEMQFCLB-VQIMIIECSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035192282 784079779 /nfs/dbraw/zinc/07/97/79/784079779.db2.gz XHZMEJBIHWMEJR-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035192282 784079784 /nfs/dbraw/zinc/07/97/84/784079784.db2.gz XHZMEJBIHWMEJR-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035192282 784079787 /nfs/dbraw/zinc/07/97/87/784079787.db2.gz XHZMEJBIHWMEJR-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135680600 784227773 /nfs/dbraw/zinc/22/77/73/784227773.db2.gz XYMPHZIROLIMMX-HZPDHXFCSA-N 2 1 345.915 2.114 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000819022216 785387233 /nfs/dbraw/zinc/38/72/33/785387233.db2.gz FLBFPTBIUIYXQM-UHFFFAOYSA-N 2 1 330.476 2.321 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC001036239578 786077164 /nfs/dbraw/zinc/07/71/64/786077164.db2.gz LYBBIKPUTHMOKZ-MAUKXSAKSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(Cl)CN1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001005877195 788648840 /nfs/dbraw/zinc/64/88/40/788648840.db2.gz NVHUQWBVKWDNNE-GJZGRUSLSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001005877195 788648846 /nfs/dbraw/zinc/64/88/46/788648846.db2.gz NVHUQWBVKWDNNE-GJZGRUSLSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001005877195 788648853 /nfs/dbraw/zinc/64/88/53/788648853.db2.gz NVHUQWBVKWDNNE-GJZGRUSLSA-N 2 1 327.900 2.392 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859368 788822063 /nfs/dbraw/zinc/82/20/63/788822063.db2.gz RLYKUGNCBUWPHO-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091076144 789727800 /nfs/dbraw/zinc/72/78/00/789727800.db2.gz PMHBRBUCSULNMA-MHJFOBGBSA-N 2 1 343.515 2.459 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091076144 789727810 /nfs/dbraw/zinc/72/78/10/789727810.db2.gz PMHBRBUCSULNMA-MHJFOBGBSA-N 2 1 343.515 2.459 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146338904 791192160 /nfs/dbraw/zinc/19/21/60/791192160.db2.gz ISVYQLOJNRNOJJ-IRXDYDNUSA-N 2 1 338.455 2.116 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000948825949 791309407 /nfs/dbraw/zinc/30/94/07/791309407.db2.gz ZOJNRZPHHQMCGO-ACBHZAAOSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001147347766 791793086 /nfs/dbraw/zinc/79/30/86/791793086.db2.gz DENDCRZSIXAFHF-AWEZNQCLSA-N 2 1 346.313 2.255 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001109864434 806106870 /nfs/dbraw/zinc/10/68/70/806106870.db2.gz BXCVIKOSQMPKRS-AABGKKOBSA-N 2 1 339.483 2.101 20 30 EEEDMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001109864434 806106873 /nfs/dbraw/zinc/10/68/73/806106873.db2.gz BXCVIKOSQMPKRS-AABGKKOBSA-N 2 1 339.483 2.101 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC/C=C/CCC)C2 ZINC001147737437 791937686 /nfs/dbraw/zinc/93/76/86/791937686.db2.gz ZYWKZJXAFDTFAO-GHOSXJJBSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC/C=C/CCC)C2 ZINC001147737437 791937691 /nfs/dbraw/zinc/93/76/91/791937691.db2.gz ZYWKZJXAFDTFAO-GHOSXJJBSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC/C=C/CCC)C2 ZINC001147737437 791937694 /nfs/dbraw/zinc/93/76/94/791937694.db2.gz ZYWKZJXAFDTFAO-GHOSXJJBSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC/C=C/CCC)C2 ZINC001147737437 791937698 /nfs/dbraw/zinc/93/76/98/791937698.db2.gz ZYWKZJXAFDTFAO-GHOSXJJBSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC/C=C/CCC)C2 ZINC001147737437 791937703 /nfs/dbraw/zinc/93/77/03/791937703.db2.gz ZYWKZJXAFDTFAO-GHOSXJJBSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)CCC=C)C3)CC1 ZINC001148827933 792703935 /nfs/dbraw/zinc/70/39/35/792703935.db2.gz SDTZKVPIWSQSLT-GOSISDBHSA-N 2 1 343.515 2.221 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137009 792871738 /nfs/dbraw/zinc/87/17/38/792871738.db2.gz LWHIWIXZNUXBEL-NLWGTHIKSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137009 792871748 /nfs/dbraw/zinc/87/17/48/792871748.db2.gz LWHIWIXZNUXBEL-NLWGTHIKSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137009 792871757 /nfs/dbraw/zinc/87/17/57/792871757.db2.gz LWHIWIXZNUXBEL-NLWGTHIKSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137009 792871761 /nfs/dbraw/zinc/87/17/61/792871761.db2.gz LWHIWIXZNUXBEL-NLWGTHIKSA-N 2 1 349.519 2.175 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942404 793034828 /nfs/dbraw/zinc/03/48/28/793034828.db2.gz PWTXDNVCXUVUSU-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](C[C@@H](F)CC)CC3)CC1 ZINC000992502974 794429088 /nfs/dbraw/zinc/42/90/88/794429088.db2.gz CNMLBEYQDJJECG-NSHGMRRFSA-N 2 1 349.494 2.193 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036747006 794755241 /nfs/dbraw/zinc/75/52/41/794755241.db2.gz CAIILTZTVHEGCS-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107992981 795245679 /nfs/dbraw/zinc/24/56/79/795245679.db2.gz FTIVWCLKDPIJAB-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107992981 795245682 /nfs/dbraw/zinc/24/56/82/795245682.db2.gz FTIVWCLKDPIJAB-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107992981 795245685 /nfs/dbraw/zinc/24/56/85/795245685.db2.gz FTIVWCLKDPIJAB-MJGOQNOKSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@@H]21 ZINC001036835139 795340471 /nfs/dbraw/zinc/34/04/71/795340471.db2.gz VJQSRDWGNCPEBX-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036835139 795340478 /nfs/dbraw/zinc/34/04/78/795340478.db2.gz VJQSRDWGNCPEBX-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036835139 795340485 /nfs/dbraw/zinc/34/04/85/795340485.db2.gz VJQSRDWGNCPEBX-MSOLQXFVSA-N 2 1 342.487 2.343 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106435334 795581747 /nfs/dbraw/zinc/58/17/47/795581747.db2.gz LIZIKKDQMWETNI-IAGOWNOFSA-N 2 1 344.503 2.412 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036866944 795609347 /nfs/dbraw/zinc/60/93/47/795609347.db2.gz MWQFORTZTQSRBB-UXHICEINSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342299 795903288 /nfs/dbraw/zinc/90/32/88/795903288.db2.gz PQDCOSMAJGNVDE-UWWQBHOKSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342299 795903293 /nfs/dbraw/zinc/90/32/93/795903293.db2.gz PQDCOSMAJGNVDE-UWWQBHOKSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667398 796074422 /nfs/dbraw/zinc/07/44/22/796074422.db2.gz XXKIMIHVBJVKEP-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001110159242 796424583 /nfs/dbraw/zinc/42/45/83/796424583.db2.gz GHVHALLDDWATPD-AABGKKOBSA-N 2 1 339.483 2.100 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001110159242 796424586 /nfs/dbraw/zinc/42/45/86/796424586.db2.gz GHVHALLDDWATPD-AABGKKOBSA-N 2 1 339.483 2.100 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001110159242 796424593 /nfs/dbraw/zinc/42/45/93/796424593.db2.gz GHVHALLDDWATPD-AABGKKOBSA-N 2 1 339.483 2.100 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001110159242 796424596 /nfs/dbraw/zinc/42/45/96/796424596.db2.gz GHVHALLDDWATPD-AABGKKOBSA-N 2 1 339.483 2.100 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001081115782 796657078 /nfs/dbraw/zinc/65/70/78/796657078.db2.gz NVOYLYIXMXRQGM-ZCNNSNEGSA-N 2 1 339.483 2.077 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001081179774 796679848 /nfs/dbraw/zinc/67/98/48/796679848.db2.gz JNQIPLWHYXWMEU-NZSAHSFTSA-N 2 1 327.472 2.241 20 30 EEEDMP C=C(Cl)CN1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993806002 797032008 /nfs/dbraw/zinc/03/20/08/797032008.db2.gz OGBKUCTUCDHGMZ-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)CN1CCC[C@H](NC(=O)CN2CCC(C)(C)C2)[C@@H]1C ZINC000993806002 797032010 /nfs/dbraw/zinc/03/20/10/797032010.db2.gz OGBKUCTUCDHGMZ-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[C@H](n2cc[nH+]c2CCC[NH3+])C[C@H]1C#N ZINC001172978037 797179559 /nfs/dbraw/zinc/17/95/59/797179559.db2.gz HUMUEDNUDPUAPA-KBPBESRZSA-N 2 1 333.436 2.239 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001094999834 797210990 /nfs/dbraw/zinc/21/09/90/797210990.db2.gz NKOFBPKPBALZFL-XHSDSOJGSA-N 2 1 344.459 2.039 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001094999833 797211023 /nfs/dbraw/zinc/21/10/23/797211023.db2.gz NKOFBPKPBALZFL-JYJNAYRXSA-N 2 1 344.459 2.039 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082568515 797591699 /nfs/dbraw/zinc/59/16/99/797591699.db2.gz ANECCRJCPFMJKJ-RLLQIKCJSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082568515 797591705 /nfs/dbraw/zinc/59/17/05/797591705.db2.gz ANECCRJCPFMJKJ-RLLQIKCJSA-N 2 1 343.515 2.411 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663092 798354235 /nfs/dbraw/zinc/35/42/35/798354235.db2.gz LSRQHZXMDDGCEQ-MDZRGWNJSA-N 2 1 337.483 2.308 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663092 798354241 /nfs/dbraw/zinc/35/42/41/798354241.db2.gz LSRQHZXMDDGCEQ-MDZRGWNJSA-N 2 1 337.483 2.308 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663092 798354247 /nfs/dbraw/zinc/35/42/47/798354247.db2.gz LSRQHZXMDDGCEQ-MDZRGWNJSA-N 2 1 337.483 2.308 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958224 798578218 /nfs/dbraw/zinc/57/82/18/798578218.db2.gz QXTDCJRZYCJPOQ-ZACQAIPSSA-N 2 1 328.460 2.259 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958224 798578220 /nfs/dbraw/zinc/57/82/20/798578220.db2.gz QXTDCJRZYCJPOQ-ZACQAIPSSA-N 2 1 328.460 2.259 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001176981005 798672072 /nfs/dbraw/zinc/67/20/72/798672072.db2.gz WCLOFZZQDXXBPA-UHFFFAOYSA-N 2 1 335.879 2.128 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001177416253 798934209 /nfs/dbraw/zinc/93/42/09/798934209.db2.gz XNEJQWAAASBJOE-GOSISDBHSA-N 2 1 333.520 2.350 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1nccs1 ZINC001178719951 799579501 /nfs/dbraw/zinc/57/95/01/799579501.db2.gz WNFRQSKTCZIRCC-INIZCTEOSA-N 2 1 348.516 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1nccs1 ZINC001178719951 799579506 /nfs/dbraw/zinc/57/95/06/799579506.db2.gz WNFRQSKTCZIRCC-INIZCTEOSA-N 2 1 348.516 2.007 20 30 EEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001179028440 799757070 /nfs/dbraw/zinc/75/70/70/799757070.db2.gz GYHFJCVRGSWWKZ-YCPHGPKFSA-N 2 1 334.464 2.284 20 30 EEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001179371273 799903603 /nfs/dbraw/zinc/90/36/03/799903603.db2.gz OBLORMNGIQVABL-SFHVURJKSA-N 2 1 339.524 2.328 20 30 EEEDMP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001003626614 799908479 /nfs/dbraw/zinc/90/84/79/799908479.db2.gz SLDXHZCSKLZKDZ-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001003626614 799908487 /nfs/dbraw/zinc/90/84/87/799908487.db2.gz SLDXHZCSKLZKDZ-AWEZNQCLSA-N 2 1 346.500 2.042 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001179982881 800197966 /nfs/dbraw/zinc/19/79/66/800197966.db2.gz GATULYIPXHHGHC-KSSFIOAISA-N 2 1 346.450 2.118 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001180221566 800314384 /nfs/dbraw/zinc/31/43/84/800314384.db2.gz AFFZAGMJNXUNQK-KSSFIOAISA-N 2 1 346.450 2.117 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001085334135 800374991 /nfs/dbraw/zinc/37/49/91/800374991.db2.gz XIRYFAYBOQHSBV-HZPDHXFCSA-N 2 1 332.448 2.087 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108207948 801147875 /nfs/dbraw/zinc/14/78/75/801147875.db2.gz TVQORMFFUBMILC-MJGOQNOKSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001183137956 801493668 /nfs/dbraw/zinc/49/36/68/801493668.db2.gz LRXUFZFAUHHBEC-YFVAEKQCSA-N 2 1 341.499 2.387 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094793 801577918 /nfs/dbraw/zinc/57/79/18/801577918.db2.gz JQKLIHOXOVIMPA-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094793 801577926 /nfs/dbraw/zinc/57/79/26/801577926.db2.gz JQKLIHOXOVIMPA-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033094793 801577934 /nfs/dbraw/zinc/57/79/34/801577934.db2.gz JQKLIHOXOVIMPA-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033094793 801577941 /nfs/dbraw/zinc/57/79/41/801577941.db2.gz JQKLIHOXOVIMPA-QAPCUYQASA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591100 801597189 /nfs/dbraw/zinc/59/71/89/801597189.db2.gz NXUGMHHESRAAHA-CEXWTWQISA-N 2 1 331.504 2.075 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004438363 802063946 /nfs/dbraw/zinc/06/39/46/802063946.db2.gz OVLAQFTZFIGWDC-RTBURBONSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086110006 802199952 /nfs/dbraw/zinc/19/99/52/802199952.db2.gz PMHBRBUCSULNMA-ZCNNSNEGSA-N 2 1 343.515 2.459 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086110006 802199957 /nfs/dbraw/zinc/19/99/57/802199957.db2.gz PMHBRBUCSULNMA-ZCNNSNEGSA-N 2 1 343.515 2.459 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001086110197 802200902 /nfs/dbraw/zinc/20/09/02/802200902.db2.gz XUYGERQPXCDOFT-JQHSSLGASA-N 2 1 345.512 2.139 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001086110197 802200909 /nfs/dbraw/zinc/20/09/09/802200909.db2.gz XUYGERQPXCDOFT-JQHSSLGASA-N 2 1 345.512 2.139 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033163095 802702187 /nfs/dbraw/zinc/70/21/87/802702187.db2.gz YJLTXKDMJUIWDU-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033163095 802702189 /nfs/dbraw/zinc/70/21/89/802702189.db2.gz YJLTXKDMJUIWDU-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033163095 802702195 /nfs/dbraw/zinc/70/21/95/802702195.db2.gz YJLTXKDMJUIWDU-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033163095 802702198 /nfs/dbraw/zinc/70/21/98/802702198.db2.gz YJLTXKDMJUIWDU-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363133 804495661 /nfs/dbraw/zinc/49/56/61/804495661.db2.gz GBCCMVWOLUOUIE-GOSISDBHSA-N 2 1 337.508 2.082 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109470649 805522039 /nfs/dbraw/zinc/52/20/39/805522039.db2.gz GXYUDLCXKASEFP-SQNIBIBYSA-N 2 1 328.460 2.206 20 30 EEEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001086609570 810042386 /nfs/dbraw/zinc/04/23/86/810042386.db2.gz NCNVTIOWKHEMEQ-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001086609570 810042390 /nfs/dbraw/zinc/04/23/90/810042390.db2.gz NCNVTIOWKHEMEQ-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001086609570 810042393 /nfs/dbraw/zinc/04/23/93/810042393.db2.gz NCNVTIOWKHEMEQ-YZGWKJHDSA-N 2 1 341.499 2.489 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001129418593 810831726 /nfs/dbraw/zinc/83/17/26/810831726.db2.gz VHXLRRYSYNPVQY-SFHVURJKSA-N 2 1 328.460 2.027 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623662 810913454 /nfs/dbraw/zinc/91/34/54/810913454.db2.gz PPEFJSDTZPRQIZ-RBUKOAKNSA-N 2 1 327.472 2.243 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001437953102 1090550238 /nfs/dbraw/zinc/55/02/38/1090550238.db2.gz POXJNJLNOYPZKV-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001437953102 1090550241 /nfs/dbraw/zinc/55/02/41/1090550241.db2.gz POXJNJLNOYPZKV-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001437953102 1090550244 /nfs/dbraw/zinc/55/02/44/1090550244.db2.gz POXJNJLNOYPZKV-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001439376724 1092116961 /nfs/dbraw/zinc/11/69/61/1092116961.db2.gz BXBSAXUFCHNPKL-INIZCTEOSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H]1C ZINC001448983537 1093987243 /nfs/dbraw/zinc/98/72/43/1093987243.db2.gz RSULWASLBBCYKZ-RDTXWAMCSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001479565220 1098611836 /nfs/dbraw/zinc/61/18/36/1098611836.db2.gz RSEVQGLESDBJFB-CJNGLKHVSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000491676740 533101511 /nfs/dbraw/zinc/10/15/11/533101511.db2.gz PDVFXUBWDDDVJN-IBGZPJMESA-N 2 1 348.535 2.095 20 30 EEEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000491486927 533163206 /nfs/dbraw/zinc/16/32/06/533163206.db2.gz ZGPPMUDVYCWOHI-IBGZPJMESA-N 2 1 327.472 2.018 20 30 EEEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1C#N ZINC000268982955 255508517 /nfs/dbraw/zinc/50/85/17/255508517.db2.gz RPCCTTBLRQRBKP-ZWKOTPCHSA-N 2 1 329.444 2.034 20 30 EEEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000574618934 320041157 /nfs/dbraw/zinc/04/11/57/320041157.db2.gz XQWTYOCRSOZWGG-IBGZPJMESA-N 2 1 340.471 2.079 20 30 EEEDMP C[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1ccnc1 ZINC000156571993 463041928 /nfs/dbraw/zinc/04/19/28/463041928.db2.gz SFTIXMOALBRDOH-IPELMVKDSA-N 2 1 349.438 2.443 20 30 EEEDMP C[C@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1ccnc1 ZINC000156571993 463041933 /nfs/dbraw/zinc/04/19/33/463041933.db2.gz SFTIXMOALBRDOH-IPELMVKDSA-N 2 1 349.438 2.443 20 30 EEEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccccn3)CC2)oc1C ZINC000178572389 463923673 /nfs/dbraw/zinc/92/36/73/463923673.db2.gz GZHBCDFFHIIMQF-UHFFFAOYSA-N 2 1 342.447 2.325 20 30 EEEDMP CN(CCC#N)C(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278976452 464017394 /nfs/dbraw/zinc/01/73/94/464017394.db2.gz YMKNRCVYHXZAKV-UHFFFAOYSA-N 2 1 343.475 2.161 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264054104 464277495 /nfs/dbraw/zinc/27/74/95/464277495.db2.gz AAPURMWPPPVTAO-LJQANCHMSA-N 3 1 343.519 2.171 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000295116121 464711247 /nfs/dbraw/zinc/71/12/47/464711247.db2.gz XXLQQCOLYTWFQG-IBGZPJMESA-N 2 1 325.460 2.263 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000295116121 464711249 /nfs/dbraw/zinc/71/12/49/464711249.db2.gz XXLQQCOLYTWFQG-IBGZPJMESA-N 2 1 325.460 2.263 20 30 EEEDMP CCC[NH+]1CCC(NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000330289347 465599818 /nfs/dbraw/zinc/59/98/18/465599818.db2.gz DUJMOKBCOKOZAI-UHFFFAOYSA-N 2 1 344.463 2.402 20 30 EEEDMP Cc1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)ccc1C#N ZINC000349302384 466058598 /nfs/dbraw/zinc/05/85/98/466058598.db2.gz WOYVWLSZUMKAAY-QGZVFWFLSA-N 2 1 326.488 2.467 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000340962809 466470163 /nfs/dbraw/zinc/47/01/63/466470163.db2.gz SVIOCGXGGLNDLF-RCCFBDPRSA-N 2 1 336.524 2.467 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)C(C)C ZINC000425648263 467118736 /nfs/dbraw/zinc/11/87/36/467118736.db2.gz GSDFQSHBBNLCHQ-IPMKNSEASA-N 2 1 348.535 2.421 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000394408951 467433481 /nfs/dbraw/zinc/43/34/81/467433481.db2.gz HVZRUNNTBFGHKV-CQSZACIVSA-N 2 1 345.270 2.278 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000394408951 467433485 /nfs/dbraw/zinc/43/34/85/467433485.db2.gz HVZRUNNTBFGHKV-CQSZACIVSA-N 2 1 345.270 2.278 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528370518 467681165 /nfs/dbraw/zinc/68/11/65/467681165.db2.gz DUOLYYSXIDXCQA-LJQANCHMSA-N 2 1 345.487 2.350 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CC1 ZINC000490635304 468228548 /nfs/dbraw/zinc/22/85/48/468228548.db2.gz FTZYTLUQSRCCFQ-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C#N ZINC000593315543 468936327 /nfs/dbraw/zinc/93/63/27/468936327.db2.gz LEVNTQUOGCCKQO-LNLFQRSKSA-N 2 1 329.444 2.285 20 30 EEEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000598725673 468974694 /nfs/dbraw/zinc/97/46/94/468974694.db2.gz YYGDGPHIIRRSQV-OALUTQOASA-N 2 1 345.487 2.168 20 30 EEEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000598725673 468974699 /nfs/dbraw/zinc/97/46/99/468974699.db2.gz YYGDGPHIIRRSQV-OALUTQOASA-N 2 1 345.487 2.168 20 30 EEEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845389 469112946 /nfs/dbraw/zinc/11/29/46/469112946.db2.gz JIDAYFHUCXIKGM-QFBILLFUSA-N 2 1 343.475 2.037 20 30 EEEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845389 469112952 /nfs/dbraw/zinc/11/29/52/469112952.db2.gz JIDAYFHUCXIKGM-QFBILLFUSA-N 2 1 343.475 2.037 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182220 675942831 /nfs/dbraw/zinc/94/28/31/675942831.db2.gz LEZMNKORXDNUAD-IBGZPJMESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969864360 675265528 /nfs/dbraw/zinc/26/55/28/675265528.db2.gz AZTCVPONTLNINU-XLIONFOSSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969864360 675265530 /nfs/dbraw/zinc/26/55/30/675265530.db2.gz AZTCVPONTLNINU-XLIONFOSSA-N 2 1 343.515 2.411 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133653 675633905 /nfs/dbraw/zinc/63/39/05/675633905.db2.gz JWFNATMLONYXAK-MOPGFXCFSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039134510 675635035 /nfs/dbraw/zinc/63/50/35/675635035.db2.gz QIIRIRRZRRQOON-SFHVURJKSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC(C)C)CC[C@@H]32)CC1 ZINC001021740186 676399346 /nfs/dbraw/zinc/39/93/46/676399346.db2.gz RCMBDWZJSBFDSF-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001022202323 676727563 /nfs/dbraw/zinc/72/75/63/676727563.db2.gz WQFLBCRZCRNULO-KSZLIROESA-N 2 1 349.438 2.069 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001022221695 676742807 /nfs/dbraw/zinc/74/28/07/676742807.db2.gz KNHGAWMEKAPMSV-JEWRLFTDSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001022221695 676742808 /nfs/dbraw/zinc/74/28/08/676742808.db2.gz KNHGAWMEKAPMSV-JEWRLFTDSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022221327 676742835 /nfs/dbraw/zinc/74/28/35/676742835.db2.gz CCWCHZUXRYQRLG-YSHGAJCASA-N 2 1 325.456 2.082 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022221327 676742836 /nfs/dbraw/zinc/74/28/36/676742836.db2.gz CCWCHZUXRYQRLG-YSHGAJCASA-N 2 1 325.456 2.082 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947569198 679394938 /nfs/dbraw/zinc/39/49/38/679394938.db2.gz TVQNZIHIJHNCNW-HKUYNNGSSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001023588600 679397135 /nfs/dbraw/zinc/39/71/35/679397135.db2.gz FOUZDPHRSLVZFE-INIZCTEOSA-N 2 1 346.475 2.288 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001023588600 679397137 /nfs/dbraw/zinc/39/71/37/679397137.db2.gz FOUZDPHRSLVZFE-INIZCTEOSA-N 2 1 346.475 2.288 20 30 EEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001024477120 679949792 /nfs/dbraw/zinc/94/97/92/679949792.db2.gz JCNSGKVBPMHFPI-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001024477120 679949788 /nfs/dbraw/zinc/94/97/88/679949788.db2.gz JCNSGKVBPMHFPI-RTBURBONSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC000978643052 693767985 /nfs/dbraw/zinc/76/79/85/693767985.db2.gz QAKFUSBRQGVUCE-OSYLJGHBSA-N 2 1 331.460 2.215 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974950174 685778418 /nfs/dbraw/zinc/77/84/18/685778418.db2.gz VRLTUXJWRFOSCD-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974950174 685778423 /nfs/dbraw/zinc/77/84/23/685778423.db2.gz VRLTUXJWRFOSCD-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974950174 685778428 /nfs/dbraw/zinc/77/84/28/685778428.db2.gz VRLTUXJWRFOSCD-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974950174 685778429 /nfs/dbraw/zinc/77/84/29/685778429.db2.gz VRLTUXJWRFOSCD-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975038926 686061029 /nfs/dbraw/zinc/06/10/29/686061029.db2.gz LRGRYFWGHNIVDV-NVXWUHKLSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975038926 686061036 /nfs/dbraw/zinc/06/10/36/686061036.db2.gz LRGRYFWGHNIVDV-NVXWUHKLSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)C)CC1 ZINC001029597321 686468754 /nfs/dbraw/zinc/46/87/54/686468754.db2.gz OTMJUDRDYOXTRF-KDURUIRLSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001029758178 687023158 /nfs/dbraw/zinc/02/31/58/687023158.db2.gz UFKMVUNPIFNYCP-PMACEKPBSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001029758178 687023163 /nfs/dbraw/zinc/02/31/63/687023163.db2.gz UFKMVUNPIFNYCP-PMACEKPBSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001029758178 687023166 /nfs/dbraw/zinc/02/31/66/687023166.db2.gz UFKMVUNPIFNYCP-PMACEKPBSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2ccccc2)C1 ZINC001029758178 687023170 /nfs/dbraw/zinc/02/31/70/687023170.db2.gz UFKMVUNPIFNYCP-PMACEKPBSA-N 2 1 339.483 2.065 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2ccccc2)C1 ZINC001029758178 687023175 /nfs/dbraw/zinc/02/31/75/687023175.db2.gz UFKMVUNPIFNYCP-PMACEKPBSA-N 2 1 339.483 2.065 20 30 EEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001027576868 693161339 /nfs/dbraw/zinc/16/13/39/693161339.db2.gz YTMKKSLPHHMVNS-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001027576868 693161341 /nfs/dbraw/zinc/16/13/41/693161341.db2.gz YTMKKSLPHHMVNS-YJBOKZPZSA-N 2 1 325.472 2.308 20 30 EEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001027576867 693161404 /nfs/dbraw/zinc/16/14/04/693161404.db2.gz YTMKKSLPHHMVNS-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001027576867 693161405 /nfs/dbraw/zinc/16/14/05/693161405.db2.gz YTMKKSLPHHMVNS-QAPCUYQASA-N 2 1 325.472 2.308 20 30 EEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752524691 1181927409 /nfs/dbraw/zinc/92/74/09/1181927409.db2.gz HAARGXAYLKZHSS-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)C[C@H]2C)CC1 ZINC000945181447 1193416114 /nfs/dbraw/zinc/41/61/14/1193416114.db2.gz NFXRLEOGSLTMIM-IEBWSBKVSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CCN1CC[C@@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273100994 1194383177 /nfs/dbraw/zinc/38/31/77/1194383177.db2.gz KLGUMXSOQJKBMD-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001034274179 1196028712 /nfs/dbraw/zinc/02/87/12/1196028712.db2.gz KQVBOMXDCQYNFL-IRXDYDNUSA-N 2 1 330.476 2.382 20 30 EEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001005720888 1196750256 /nfs/dbraw/zinc/75/02/56/1196750256.db2.gz FHBVOVRRCTWAGR-UHFFFAOYSA-N 2 1 330.476 2.261 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1csc(C(C)(C)C)n1 ZINC000120463924 1198143381 /nfs/dbraw/zinc/14/33/81/1198143381.db2.gz OWMPAHIEOSRAPP-AWEZNQCLSA-N 2 1 337.537 2.372 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132409532 1199675736 /nfs/dbraw/zinc/67/57/36/1199675736.db2.gz AOVXCHFJZYITJL-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132409532 1199675740 /nfs/dbraw/zinc/67/57/40/1199675740.db2.gz AOVXCHFJZYITJL-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132409532 1199675747 /nfs/dbraw/zinc/67/57/47/1199675747.db2.gz AOVXCHFJZYITJL-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001132886426 1200152844 /nfs/dbraw/zinc/15/28/44/1200152844.db2.gz LXAFLVHFMPZHBL-RDJZCZTQSA-N 2 1 347.890 2.128 20 30 EEEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])NCCC(C)C)CC1 ZINC000104166059 1204611430 /nfs/dbraw/zinc/61/14/30/1204611430.db2.gz GNMYSTKGFWVZEQ-UHFFFAOYSA-N 2 1 345.535 2.275 20 30 EEEDMP C#CCN1CC[C@]2(CCC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)CC2)C1=O ZINC001274267363 1204981244 /nfs/dbraw/zinc/98/12/44/1204981244.db2.gz FFCFMFULURTCKE-HXUWFJFHSA-N 2 1 336.439 2.401 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C[C@@H]1C ZINC000947723363 1208687285 /nfs/dbraw/zinc/68/72/85/1208687285.db2.gz VKNLITPEBANVKK-JKSUJKDBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000947723363 1208687287 /nfs/dbraw/zinc/68/72/87/1208687287.db2.gz VKNLITPEBANVKK-JKSUJKDBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000947723363 1208687291 /nfs/dbraw/zinc/68/72/91/1208687291.db2.gz VKNLITPEBANVKK-JKSUJKDBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CCO2 ZINC000949089926 1209531389 /nfs/dbraw/zinc/53/13/89/1209531389.db2.gz UKEWBILCBLRCRY-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961189415 1217078214 /nfs/dbraw/zinc/07/82/14/1217078214.db2.gz ZDKRYVYRNLDRKQ-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961189415 1217078216 /nfs/dbraw/zinc/07/82/16/1217078216.db2.gz ZDKRYVYRNLDRKQ-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961189415 1217078218 /nfs/dbraw/zinc/07/82/18/1217078218.db2.gz ZDKRYVYRNLDRKQ-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000961375846 1217163820 /nfs/dbraw/zinc/16/38/20/1217163820.db2.gz XOFYUMOCKROENR-WOJBJXKFSA-N 2 1 345.531 2.465 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC000963404032 1217600531 /nfs/dbraw/zinc/60/05/31/1217600531.db2.gz KUFJWGHHHYQYCR-PKOBYXMFSA-N 2 1 342.487 2.079 20 30 EEEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037936428 1220537077 /nfs/dbraw/zinc/53/70/77/1220537077.db2.gz SHYLFPVLAMAXTP-SJORKVTESA-N 2 1 330.476 2.247 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000968497313 1221353107 /nfs/dbraw/zinc/35/31/07/1221353107.db2.gz JKLGAINYQJIJHB-QFBILLFUSA-N 2 1 336.439 2.336 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000968954790 1221699302 /nfs/dbraw/zinc/69/93/02/1221699302.db2.gz RATNGOKIHBUKQP-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000968954790 1221699314 /nfs/dbraw/zinc/69/93/14/1221699314.db2.gz RATNGOKIHBUKQP-MOPGFXCFSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000968998462 1221728696 /nfs/dbraw/zinc/72/86/96/1221728696.db2.gz WYWMWRSXNKZNHB-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000968998462 1221728701 /nfs/dbraw/zinc/72/87/01/1221728701.db2.gz WYWMWRSXNKZNHB-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000968998462 1221728710 /nfs/dbraw/zinc/72/87/10/1221728710.db2.gz WYWMWRSXNKZNHB-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007492137 1222258095 /nfs/dbraw/zinc/25/80/95/1222258095.db2.gz LMXDOQLGZXVRBT-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001007492137 1222258100 /nfs/dbraw/zinc/25/81/00/1222258100.db2.gz LMXDOQLGZXVRBT-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001007492137 1222258103 /nfs/dbraw/zinc/25/81/03/1222258103.db2.gz LMXDOQLGZXVRBT-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008337359 1222770541 /nfs/dbraw/zinc/77/05/41/1222770541.db2.gz DLYZPCRKEVULEO-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008337359 1222770545 /nfs/dbraw/zinc/77/05/45/1222770545.db2.gz DLYZPCRKEVULEO-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001016794144 1226884716 /nfs/dbraw/zinc/88/47/16/1226884716.db2.gz SMZJNHJCOANCOZ-AEFFLSMTSA-N 2 1 342.487 2.301 20 30 EEEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001017767052 1227710396 /nfs/dbraw/zinc/71/03/96/1227710396.db2.gz GOAVMUPWRZAIKG-HDICACEKSA-N 2 1 327.472 2.266 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001017767052 1227710404 /nfs/dbraw/zinc/71/04/04/1227710404.db2.gz GOAVMUPWRZAIKG-HDICACEKSA-N 2 1 327.472 2.266 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020250846 1229583156 /nfs/dbraw/zinc/58/31/56/1229583156.db2.gz UPGGBNJNDQPOBM-FHWLQOOXSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020250846 1229583158 /nfs/dbraw/zinc/58/31/58/1229583158.db2.gz UPGGBNJNDQPOBM-FHWLQOOXSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC2CCCCC2)CC1 ZINC001039042660 1230259173 /nfs/dbraw/zinc/25/91/73/1230259173.db2.gz VNVGHCQCYUXMQO-LJQANCHMSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167486 1230391085 /nfs/dbraw/zinc/39/10/85/1230391085.db2.gz VQONTILYJGKPIB-FQEVSTJZSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039236940 1230470276 /nfs/dbraw/zinc/47/02/76/1230470276.db2.gz DSYCAAZUEUPNIR-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CC[N@H+](CCF)C2)CC1 ZINC001039251251 1230487787 /nfs/dbraw/zinc/48/77/87/1230487787.db2.gz QYBFMEYBQJGAKO-RBUKOAKNSA-N 2 1 349.494 2.004 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001039437557 1230609317 /nfs/dbraw/zinc/60/93/17/1230609317.db2.gz OAGFRLQLGMKHBA-FUHIMQAGSA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001039437557 1230609319 /nfs/dbraw/zinc/60/93/19/1230609319.db2.gz OAGFRLQLGMKHBA-FUHIMQAGSA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001039437557 1230609320 /nfs/dbraw/zinc/60/93/20/1230609320.db2.gz OAGFRLQLGMKHBA-FUHIMQAGSA-N 2 1 349.494 2.288 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001039437557 1230609322 /nfs/dbraw/zinc/60/93/22/1230609322.db2.gz OAGFRLQLGMKHBA-FUHIMQAGSA-N 2 1 349.494 2.288 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001039437470 1230609515 /nfs/dbraw/zinc/60/95/15/1230609515.db2.gz LZJHTKJWUDTZEA-BBWFWOEESA-N 2 1 328.460 2.005 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001039437470 1230609519 /nfs/dbraw/zinc/60/95/19/1230609519.db2.gz LZJHTKJWUDTZEA-BBWFWOEESA-N 2 1 328.460 2.005 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040201257 1231098083 /nfs/dbraw/zinc/09/80/83/1231098083.db2.gz LSDYZCPEOFQCRO-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201257 1231098084 /nfs/dbraw/zinc/09/80/84/1231098084.db2.gz LSDYZCPEOFQCRO-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201257 1231098086 /nfs/dbraw/zinc/09/80/86/1231098086.db2.gz LSDYZCPEOFQCRO-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCC)C2 ZINC001040245382 1231130656 /nfs/dbraw/zinc/13/06/56/1231130656.db2.gz SULRHXONIZZGJP-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCC)C2 ZINC001040245382 1231130658 /nfs/dbraw/zinc/13/06/58/1231130658.db2.gz SULRHXONIZZGJP-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCCC)C2 ZINC001040245382 1231130659 /nfs/dbraw/zinc/13/06/59/1231130659.db2.gz SULRHXONIZZGJP-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCCC)C2 ZINC001040245382 1231130661 /nfs/dbraw/zinc/13/06/61/1231130661.db2.gz SULRHXONIZZGJP-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001040721921 1231348503 /nfs/dbraw/zinc/34/85/03/1231348503.db2.gz FMKDCPACFLWMAR-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725198 1231663336 /nfs/dbraw/zinc/66/33/36/1231663336.db2.gz LKCIEZNBXAJBGA-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847845 1231730636 /nfs/dbraw/zinc/73/06/36/1231730636.db2.gz WDDCWGBOIIYGQH-FPOVZHCZSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847845 1231730637 /nfs/dbraw/zinc/73/06/37/1231730637.db2.gz WDDCWGBOIIYGQH-FPOVZHCZSA-N 2 1 339.483 2.237 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001042122451 1231903248 /nfs/dbraw/zinc/90/32/48/1231903248.db2.gz NUSOKBXBYIDZJA-QAPCUYQASA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001042122451 1231903249 /nfs/dbraw/zinc/90/32/49/1231903249.db2.gz NUSOKBXBYIDZJA-QAPCUYQASA-N 2 1 346.475 2.239 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042317100 1232024824 /nfs/dbraw/zinc/02/48/24/1232024824.db2.gz WDZPSLVALGWIOQ-MAUKXSAKSA-N 2 1 328.460 2.260 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042317100 1232024827 /nfs/dbraw/zinc/02/48/27/1232024827.db2.gz WDZPSLVALGWIOQ-MAUKXSAKSA-N 2 1 328.460 2.260 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=C)Cl)[C@H]3C2)CC1 ZINC001042367074 1232049316 /nfs/dbraw/zinc/04/93/16/1232049316.db2.gz AGHDXTAASJPNOT-WMZOPIPTSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CC(=C)Cl)[C@H]3C2)CC1 ZINC001042367074 1232049318 /nfs/dbraw/zinc/04/93/18/1232049318.db2.gz AGHDXTAASJPNOT-WMZOPIPTSA-N 2 1 349.906 2.007 20 30 EEEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001045685349 1233906740 /nfs/dbraw/zinc/90/67/40/1233906740.db2.gz HNKJHRLJKRYROA-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC3CC3)C2)C1 ZINC001045944087 1234204646 /nfs/dbraw/zinc/20/46/46/1234204646.db2.gz WXODAYPJKTWJEB-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC3CC3)C2)C1 ZINC001045944087 1234204648 /nfs/dbraw/zinc/20/46/48/1234204648.db2.gz WXODAYPJKTWJEB-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045944087 1234204649 /nfs/dbraw/zinc/20/46/49/1234204649.db2.gz WXODAYPJKTWJEB-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045944087 1234204651 /nfs/dbraw/zinc/20/46/51/1234204651.db2.gz WXODAYPJKTWJEB-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045985635 1234280331 /nfs/dbraw/zinc/28/03/31/1234280331.db2.gz YRWICDGWBPETEM-SJLPKXTDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985635 1234280334 /nfs/dbraw/zinc/28/03/34/1234280334.db2.gz YRWICDGWBPETEM-SJLPKXTDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001048557904 1237961139 /nfs/dbraw/zinc/96/11/39/1237961139.db2.gz VDTZLYXNILGCOW-RDGPPVDQSA-N 2 1 349.519 2.031 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001048557904 1237961145 /nfs/dbraw/zinc/96/11/45/1237961145.db2.gz VDTZLYXNILGCOW-RDGPPVDQSA-N 2 1 349.519 2.031 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001048557904 1237961153 /nfs/dbraw/zinc/96/11/53/1237961153.db2.gz VDTZLYXNILGCOW-RDGPPVDQSA-N 2 1 349.519 2.031 20 30 EEEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583659 1238024626 /nfs/dbraw/zinc/02/46/26/1238024626.db2.gz QDLWFSPQBPASBJ-IEWDOMPSSA-N 2 1 331.504 2.099 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048914088 1239240048 /nfs/dbraw/zinc/24/00/48/1239240048.db2.gz NYJPZTWTMRBEIJ-OTWHNJEPSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048914088 1239240059 /nfs/dbraw/zinc/24/00/59/1239240059.db2.gz NYJPZTWTMRBEIJ-OTWHNJEPSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048914088 1239240070 /nfs/dbraw/zinc/24/00/70/1239240070.db2.gz NYJPZTWTMRBEIJ-OTWHNJEPSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)CN1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000162043 1240011439 /nfs/dbraw/zinc/01/14/39/1240011439.db2.gz SWGKWZGYZXJHJQ-GDBMZVCRSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001000162043 1240011445 /nfs/dbraw/zinc/01/14/45/1240011445.db2.gz SWGKWZGYZXJHJQ-GDBMZVCRSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000162043 1240011454 /nfs/dbraw/zinc/01/14/54/1240011454.db2.gz SWGKWZGYZXJHJQ-GDBMZVCRSA-N 2 1 339.911 2.440 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)CC1 ZINC001000185387 1240038898 /nfs/dbraw/zinc/03/88/98/1240038898.db2.gz OCCYASNAGTWWCA-OALUTQOASA-N 2 1 343.515 2.387 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001000194155 1240049527 /nfs/dbraw/zinc/04/95/27/1240049527.db2.gz UVZZZYODNCVDOO-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049568394 1241452497 /nfs/dbraw/zinc/45/24/97/1241452497.db2.gz VKQBMDFVKNLWRQ-GUDVDZBRSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049568394 1241452514 /nfs/dbraw/zinc/45/25/14/1241452514.db2.gz VKQBMDFVKNLWRQ-GUDVDZBRSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049568394 1241452529 /nfs/dbraw/zinc/45/25/29/1241452529.db2.gz VKQBMDFVKNLWRQ-GUDVDZBRSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049615703 1241651655 /nfs/dbraw/zinc/65/16/55/1241651655.db2.gz NKWDCBLWMQYFSC-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC=C(C)C)C[C@H]32)CC1 ZINC001050208188 1243123375 /nfs/dbraw/zinc/12/33/75/1243123375.db2.gz FXMZYOQQBXUUCF-VQTJNVASSA-N 2 1 343.515 2.221 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517878 1243770090 /nfs/dbraw/zinc/77/00/90/1243770090.db2.gz IXFWTAWDGWYJAQ-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001050766408 1244321397 /nfs/dbraw/zinc/32/13/97/1244321397.db2.gz XZDFWCGPHPQRKH-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCc2cccc3c2CC[N@H+](CC)C3)CC1 ZINC001051306518 1245512327 /nfs/dbraw/zinc/51/23/27/1245512327.db2.gz BORQYDSCZXNCNX-UHFFFAOYSA-N 2 1 339.483 2.026 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053052248 1245777571 /nfs/dbraw/zinc/77/75/71/1245777571.db2.gz STEBUPATQVTGBL-RTBURBONSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053086081 1245860694 /nfs/dbraw/zinc/86/06/94/1245860694.db2.gz AYFMXPBDPBWSRF-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053086081 1245860701 /nfs/dbraw/zinc/86/07/01/1245860701.db2.gz AYFMXPBDPBWSRF-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053086081 1245860711 /nfs/dbraw/zinc/86/07/11/1245860711.db2.gz AYFMXPBDPBWSRF-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384999 1247167827 /nfs/dbraw/zinc/16/78/27/1247167827.db2.gz FODQLUZYVZDHHK-HZPDHXFCSA-N 2 1 325.884 2.051 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001052458792 1247332593 /nfs/dbraw/zinc/33/25/93/1247332593.db2.gz IFSRWELWNPEVFK-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001052458792 1247332606 /nfs/dbraw/zinc/33/26/06/1247332606.db2.gz IFSRWELWNPEVFK-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001052458792 1247332614 /nfs/dbraw/zinc/33/26/14/1247332614.db2.gz IFSRWELWNPEVFK-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001052458792 1247332627 /nfs/dbraw/zinc/33/26/27/1247332627.db2.gz IFSRWELWNPEVFK-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001054101146 1247406296 /nfs/dbraw/zinc/40/62/96/1247406296.db2.gz RHXHJMYXMAELOB-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054101146 1247406303 /nfs/dbraw/zinc/40/63/03/1247406303.db2.gz RHXHJMYXMAELOB-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054101146 1247406305 /nfs/dbraw/zinc/40/63/05/1247406305.db2.gz RHXHJMYXMAELOB-RDJZCZTQSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052514100 1247460913 /nfs/dbraw/zinc/46/09/13/1247460913.db2.gz OSKWJCNNJQBKSO-OAHLLOKOSA-N 2 1 334.464 2.287 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052514100 1247460921 /nfs/dbraw/zinc/46/09/21/1247460921.db2.gz OSKWJCNNJQBKSO-OAHLLOKOSA-N 2 1 334.464 2.287 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589803 1247620004 /nfs/dbraw/zinc/62/00/04/1247620004.db2.gz OZCSKSTXQMOSSD-IBGZPJMESA-N 2 1 341.499 2.398 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184301 1247644565 /nfs/dbraw/zinc/64/45/65/1247644565.db2.gz CIPASMCBPGWOJQ-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054184301 1247644575 /nfs/dbraw/zinc/64/45/75/1247644575.db2.gz CIPASMCBPGWOJQ-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054184301 1247644580 /nfs/dbraw/zinc/64/45/80/1247644580.db2.gz CIPASMCBPGWOJQ-CMKODMSKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001054209641 1247722765 /nfs/dbraw/zinc/72/27/65/1247722765.db2.gz UUCCNHHOCHKOFW-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001054209641 1247722778 /nfs/dbraw/zinc/72/27/78/1247722778.db2.gz UUCCNHHOCHKOFW-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2C1 ZINC001054278639 1247989803 /nfs/dbraw/zinc/98/98/03/1247989803.db2.gz IWQRDFBKLRIIGE-WMZOPIPTSA-N 2 1 339.483 2.372 20 30 EEEDMP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2C1 ZINC001054278639 1247989814 /nfs/dbraw/zinc/98/98/14/1247989814.db2.gz IWQRDFBKLRIIGE-WMZOPIPTSA-N 2 1 339.483 2.372 20 30 EEEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2C1 ZINC001054278639 1247989824 /nfs/dbraw/zinc/98/98/24/1247989824.db2.gz IWQRDFBKLRIIGE-WMZOPIPTSA-N 2 1 339.483 2.372 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071677001 1254497673 /nfs/dbraw/zinc/49/76/73/1254497673.db2.gz QOCFDKVTZVJGFM-HZPDHXFCSA-N 2 1 339.443 2.426 20 30 EEEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071828833 1254690832 /nfs/dbraw/zinc/69/08/32/1254690832.db2.gz VLTTUZNGEBIISF-QFBILLFUSA-N 2 1 327.472 2.007 20 30 EEEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850396052 1277214638 /nfs/dbraw/zinc/21/46/38/1277214638.db2.gz FYMNYWDIOYDYSU-LJQANCHMSA-N 2 1 328.456 2.432 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001187283870 1279475998 /nfs/dbraw/zinc/47/59/98/1279475998.db2.gz CFNXMFPCYVCRMA-GOSISDBHSA-N 2 1 347.890 2.224 20 30 EEEDMP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192865734 1282197925 /nfs/dbraw/zinc/19/79/25/1282197925.db2.gz DVADTGVHZTUNMU-GOSISDBHSA-N 2 1 339.524 2.212 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192865734 1282197932 /nfs/dbraw/zinc/19/79/32/1282197932.db2.gz DVADTGVHZTUNMU-GOSISDBHSA-N 2 1 339.524 2.212 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001194284383 1282978431 /nfs/dbraw/zinc/97/84/31/1282978431.db2.gz HBSJLRSIFGESDD-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001194284383 1282978434 /nfs/dbraw/zinc/97/84/34/1282978434.db2.gz HBSJLRSIFGESDD-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001194284383 1282978438 /nfs/dbraw/zinc/97/84/38/1282978438.db2.gz HBSJLRSIFGESDD-QGZVFWFLSA-N 2 1 346.450 2.070 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268030 1295789804 /nfs/dbraw/zinc/78/98/04/1295789804.db2.gz GDUHQUIENITCJS-MOPGFXCFSA-N 2 1 345.487 2.073 20 30 EEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000402260590 1296930848 /nfs/dbraw/zinc/93/08/48/1296930848.db2.gz QFPNWRSCOIVMIF-LJQANCHMSA-N 2 1 339.439 2.149 20 30 EEEDMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@@](C)(CO[C@H]2C[NH2+]C[C@@H]2C#N)O1 ZINC001217909858 1297529900 /nfs/dbraw/zinc/52/99/00/1297529900.db2.gz IRBXIEDEEHUZDF-BJLQDIEVSA-N 2 1 343.471 2.184 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712868 1299005077 /nfs/dbraw/zinc/00/50/77/1299005077.db2.gz QZXXEIBFOGCTPP-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712868 1299005094 /nfs/dbraw/zinc/00/50/94/1299005094.db2.gz QZXXEIBFOGCTPP-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCC(C)C)C[C@H]32)CC1 ZINC001222044049 1299299982 /nfs/dbraw/zinc/29/99/82/1299299982.db2.gz MSWIVIYKMAKHMH-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222790020 1299863626 /nfs/dbraw/zinc/86/36/26/1299863626.db2.gz RWYIFHNBRNHAOH-IKGGRYGDSA-N 2 1 325.472 2.165 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102185725 1300523123 /nfs/dbraw/zinc/52/31/23/1300523123.db2.gz QIQFEDHRZFFXCF-KBRIMQKVSA-N 2 1 339.911 2.297 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102432309 1301035584 /nfs/dbraw/zinc/03/55/84/1301035584.db2.gz XNIVKOCTAANPCF-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102432309 1301035594 /nfs/dbraw/zinc/03/55/94/1301035594.db2.gz XNIVKOCTAANPCF-IAGOWNOFSA-N 2 1 330.476 2.104 20 30 EEEDMP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001229073675 1302598754 /nfs/dbraw/zinc/59/87/54/1302598754.db2.gz KCSWVTHTGWTVSQ-LJQANCHMSA-N 2 1 342.487 2.225 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001230284676 1303141745 /nfs/dbraw/zinc/14/17/45/1303141745.db2.gz PZJDRTVHLSUPDA-WOJBJXKFSA-N 2 1 341.499 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378860 1303185462 /nfs/dbraw/zinc/18/54/62/1303185462.db2.gz VYMPHMFWRBKCBS-MRXNPFEDSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001103773512 1303316589 /nfs/dbraw/zinc/31/65/89/1303316589.db2.gz AVDUDCJRXBCRNB-IAGOWNOFSA-N 2 1 345.487 2.442 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cccnc1 ZINC001230766719 1303441605 /nfs/dbraw/zinc/44/16/05/1303441605.db2.gz IBLFMOOSLZXFMB-IEBWSBKVSA-N 2 1 344.503 2.306 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230766719 1303441609 /nfs/dbraw/zinc/44/16/09/1303441609.db2.gz IBLFMOOSLZXFMB-IEBWSBKVSA-N 2 1 344.503 2.306 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230766719 1303441612 /nfs/dbraw/zinc/44/16/12/1303441612.db2.gz IBLFMOOSLZXFMB-IEBWSBKVSA-N 2 1 344.503 2.306 20 30 EEEDMP Cc1ccc(C#N)c(NC(=O)[C@]23C[C@H]2CC[N@H+]3CC2CC[NH2+]CC2)c1 ZINC001277823972 1304674779 /nfs/dbraw/zinc/67/47/79/1304674779.db2.gz MGZAWCHZGNLIJK-XLIONFOSSA-N 2 1 338.455 2.269 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](C)CC(C)C)C[C@H]32)CC1 ZINC001115290003 1304907280 /nfs/dbraw/zinc/90/72/80/1304907280.db2.gz LTEHYCPOXKYZNK-LMCOJAPRSA-N 2 1 345.531 2.060 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768552 1305753396 /nfs/dbraw/zinc/75/33/96/1305753396.db2.gz BTRJUPGLAJMGBG-QZTJIDSGSA-N 2 1 331.504 2.435 20 30 EEEDMP C#CC[C@@H](CCOC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118942724 1308963265 /nfs/dbraw/zinc/96/32/65/1308963265.db2.gz ULHMPUDCBPJQJO-KRWDZBQOSA-N 2 1 333.451 2.096 20 30 EEEDMP C#CC[C@H](CCOC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118942725 1308963667 /nfs/dbraw/zinc/96/36/67/1308963667.db2.gz ULHMPUDCBPJQJO-QGZVFWFLSA-N 2 1 333.451 2.096 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001120470688 1309566496 /nfs/dbraw/zinc/56/64/96/1309566496.db2.gz SVNJDJJJIURCQS-OALUTQOASA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCCCCCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001245982476 1310201531 /nfs/dbraw/zinc/20/15/31/1310201531.db2.gz PKKZJJHUHMOTKL-ULQDDVLXSA-N 2 1 326.481 2.005 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC001246308842 1310278295 /nfs/dbraw/zinc/27/82/95/1310278295.db2.gz SHLWBOSLHOWEOS-YJBOKZPZSA-N 2 1 334.460 2.443 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000836441679 1314994761 /nfs/dbraw/zinc/99/47/61/1314994761.db2.gz COQNUYDYNZUWBO-SFHVURJKSA-N 2 1 334.508 2.038 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000836441679 1314994762 /nfs/dbraw/zinc/99/47/62/1314994762.db2.gz COQNUYDYNZUWBO-SFHVURJKSA-N 2 1 334.508 2.038 20 30 EEEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149847626 1316064036 /nfs/dbraw/zinc/06/40/36/1316064036.db2.gz GCFBHXUZUDCSKN-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149847626 1316064040 /nfs/dbraw/zinc/06/40/40/1316064040.db2.gz GCFBHXUZUDCSKN-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149847626 1316064047 /nfs/dbraw/zinc/06/40/47/1316064047.db2.gz GCFBHXUZUDCSKN-QZTJIDSGSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001150778312 1316372753 /nfs/dbraw/zinc/37/27/53/1316372753.db2.gz KKMJXZGBOSFIMG-MOPGFXCFSA-N 2 1 345.487 2.073 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001150778312 1316372758 /nfs/dbraw/zinc/37/27/58/1316372758.db2.gz KKMJXZGBOSFIMG-MOPGFXCFSA-N 2 1 345.487 2.073 20 30 EEEDMP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001151327267 1316505228 /nfs/dbraw/zinc/50/52/28/1316505228.db2.gz VFOAZZKFKMEOAP-KRWDZBQOSA-N 2 1 337.508 2.034 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C#N)c1)[NH+](C)C ZINC001155283091 1317537172 /nfs/dbraw/zinc/53/71/72/1317537172.db2.gz GQISVKAZPOEWIS-QAPCUYQASA-N 2 1 330.476 2.225 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156373819 1317983513 /nfs/dbraw/zinc/98/35/13/1317983513.db2.gz ATGVDTICFPAYGN-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156373819 1317983519 /nfs/dbraw/zinc/98/35/19/1317983519.db2.gz ATGVDTICFPAYGN-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156373819 1317983520 /nfs/dbraw/zinc/98/35/20/1317983520.db2.gz ATGVDTICFPAYGN-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C=CC[N@H+]1CC=C(CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001161585215 1320548443 /nfs/dbraw/zinc/54/84/43/1320548443.db2.gz JFFVEKWYUQKVFP-UHFFFAOYSA-N 2 1 337.427 2.205 20 30 EEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001161585215 1320548446 /nfs/dbraw/zinc/54/84/46/1320548446.db2.gz JFFVEKWYUQKVFP-UHFFFAOYSA-N 2 1 337.427 2.205 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161621817 1320561355 /nfs/dbraw/zinc/56/13/55/1320561355.db2.gz ABJSCSVNULRTTM-UHFFFAOYSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203469835 1321888472 /nfs/dbraw/zinc/88/84/72/1321888472.db2.gz ZDOHKMACTZPFBA-SJORKVTESA-N 2 1 342.487 2.437 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205630148 1323221677 /nfs/dbraw/zinc/22/16/77/1323221677.db2.gz PXCHBFOHZVGDBT-FUHWJXTLSA-N 2 1 345.462 2.073 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209221287 1324861324 /nfs/dbraw/zinc/86/13/24/1324861324.db2.gz AKZUCEFCSKTKCH-MJGOQNOKSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001311434604 1331772693 /nfs/dbraw/zinc/77/26/93/1331772693.db2.gz PKFOKMOPVPXNDM-FHWLQOOXSA-N 2 1 348.535 2.141 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001311434604 1331772695 /nfs/dbraw/zinc/77/26/95/1331772695.db2.gz PKFOKMOPVPXNDM-FHWLQOOXSA-N 2 1 348.535 2.141 20 30 EEEDMP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)n1 ZINC001328510671 1334470835 /nfs/dbraw/zinc/47/08/35/1334470835.db2.gz AAIVKTBFNQUSSA-KRWDZBQOSA-N 2 1 347.426 2.381 20 30 EEEDMP Cc1cccc(NC[C@@H]2CCCN2Cc2cnc3c(C#N)cnn3c2)n1 ZINC001328510671 1334470836 /nfs/dbraw/zinc/47/08/36/1334470836.db2.gz AAIVKTBFNQUSSA-KRWDZBQOSA-N 2 1 347.426 2.381 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135028333 1367996346 /nfs/dbraw/zinc/99/63/46/1367996346.db2.gz FXASVHCENHQLLP-IAGOWNOFSA-N 2 1 338.455 2.116 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702067 1370559948 /nfs/dbraw/zinc/55/99/48/1370559948.db2.gz SQDDKSLRTCMVNF-AEFFLSMTSA-N 2 1 327.472 2.007 20 30 EEEDMP C#CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC001138341468 1372386061 /nfs/dbraw/zinc/38/60/61/1372386061.db2.gz PWOZBXKZYPFJNJ-UHFFFAOYSA-N 2 1 337.423 2.424 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000838586916 1372853602 /nfs/dbraw/zinc/85/36/02/1372853602.db2.gz JEFJFCPINWBBNU-MJGOQNOKSA-N 2 1 344.503 2.241 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[NH2+]CC2=CC[N@@H+](C)CC2)c(OC)c1 ZINC001356595021 1373202537 /nfs/dbraw/zinc/20/25/37/1373202537.db2.gz HQDMEYAGGOUDJD-SFHVURJKSA-N 2 1 346.471 2.015 20 30 EEEDMP C=C(Br)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001376914633 1378847656 /nfs/dbraw/zinc/84/76/56/1378847656.db2.gz SUGUPOJKJYMNRC-AWEZNQCLSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001376914633 1378847661 /nfs/dbraw/zinc/84/76/61/1378847661.db2.gz SUGUPOJKJYMNRC-AWEZNQCLSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001376914633 1378847666 /nfs/dbraw/zinc/84/76/66/1378847666.db2.gz SUGUPOJKJYMNRC-AWEZNQCLSA-N 2 1 346.313 2.208 20 30 EEEDMP C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001376914633 1378847674 /nfs/dbraw/zinc/84/76/74/1378847674.db2.gz SUGUPOJKJYMNRC-AWEZNQCLSA-N 2 1 346.313 2.208 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1ccc(F)c(C#N)c1 ZINC001377315114 1379126991 /nfs/dbraw/zinc/12/69/91/1379126991.db2.gz KNNZXAHCPJWMSI-SFHVURJKSA-N 2 1 348.466 2.222 20 30 EEEDMP CC[C@H](C(=O)NCC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1)[NH+](C)C ZINC001391201678 1389127289 /nfs/dbraw/zinc/12/72/89/1389127289.db2.gz SKLYOZNDZGXHPO-GOSISDBHSA-N 2 1 346.450 2.118 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C ZINC001402051632 1397736482 /nfs/dbraw/zinc/73/64/82/1397736482.db2.gz ITBIIEUQJMTMKD-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001754865597 1406970862 /nfs/dbraw/zinc/97/08/62/1406970862.db2.gz OBFCIPRRIDWRGI-GBESFXJTSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001754865597 1406970866 /nfs/dbraw/zinc/97/08/66/1406970866.db2.gz OBFCIPRRIDWRGI-GBESFXJTSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001754865597 1406970867 /nfs/dbraw/zinc/97/08/67/1406970867.db2.gz OBFCIPRRIDWRGI-GBESFXJTSA-N 2 1 349.519 2.129 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001425049465 1401411869 /nfs/dbraw/zinc/41/18/69/1401411869.db2.gz GGXPQQQPHJFGRL-HNNXBMFYSA-N 2 1 348.516 2.288 20 30 EEEDMP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001425049465 1401411871 /nfs/dbraw/zinc/41/18/71/1401411871.db2.gz GGXPQQQPHJFGRL-HNNXBMFYSA-N 2 1 348.516 2.288 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001425979077 1401828073 /nfs/dbraw/zinc/82/80/73/1401828073.db2.gz XVLOJPGEYFMGGM-VQIMIIECSA-N 2 1 342.487 2.275 20 30 EEEDMP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001755322427 1407317704 /nfs/dbraw/zinc/31/77/04/1407317704.db2.gz IGKFDKMBUFPMAW-GOSISDBHSA-N 2 1 329.488 2.207 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC#Cc1ccccc1 ZINC001755322427 1407317716 /nfs/dbraw/zinc/31/77/16/1407317716.db2.gz IGKFDKMBUFPMAW-GOSISDBHSA-N 2 1 329.488 2.207 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001755322427 1407317722 /nfs/dbraw/zinc/31/77/22/1407317722.db2.gz IGKFDKMBUFPMAW-GOSISDBHSA-N 2 1 329.488 2.207 20 30 EEEDMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001755322427 1407317727 /nfs/dbraw/zinc/31/77/27/1407317727.db2.gz IGKFDKMBUFPMAW-GOSISDBHSA-N 2 1 329.488 2.207 20 30 EEEDMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001755383749 1407390732 /nfs/dbraw/zinc/39/07/32/1407390732.db2.gz XWVHVJIIJPFRPB-ZBFHGGJFSA-N 2 1 330.476 2.157 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001755408135 1407418058 /nfs/dbraw/zinc/41/80/58/1407418058.db2.gz RNKPPSYDMHZLJA-IAGOWNOFSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001755408135 1407418062 /nfs/dbraw/zinc/41/80/62/1407418062.db2.gz RNKPPSYDMHZLJA-IAGOWNOFSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001755408135 1407418067 /nfs/dbraw/zinc/41/80/67/1407418067.db2.gz RNKPPSYDMHZLJA-IAGOWNOFSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001755408135 1407418071 /nfs/dbraw/zinc/41/80/71/1407418071.db2.gz RNKPPSYDMHZLJA-IAGOWNOFSA-N 2 1 339.524 2.114 20 30 EEEDMP CC#CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001755548195 1407624163 /nfs/dbraw/zinc/62/41/63/1407624163.db2.gz WGMCQMUPVJDXNZ-RBUKOAKNSA-N 2 1 327.472 2.189 20 30 EEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001121628077 1410237195 /nfs/dbraw/zinc/23/71/95/1410237195.db2.gz ARZIJBCWQNFIPN-WZXTXQKWSA-N 2 1 349.519 2.079 20 30 EEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001121628077 1410237197 /nfs/dbraw/zinc/23/71/97/1410237197.db2.gz ARZIJBCWQNFIPN-WZXTXQKWSA-N 2 1 349.519 2.079 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971867 782671891 /nfs/dbraw/zinc/67/18/91/782671891.db2.gz XNAPYJIYXGRJTK-ZACQAIPSSA-N 2 1 330.476 2.363 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971867 782671897 /nfs/dbraw/zinc/67/18/97/782671897.db2.gz XNAPYJIYXGRJTK-ZACQAIPSSA-N 2 1 330.476 2.363 20 30 EEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427900 769072330 /nfs/dbraw/zinc/07/23/30/769072330.db2.gz SVROLUKIOANZNO-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427900 769072343 /nfs/dbraw/zinc/07/23/43/769072343.db2.gz SVROLUKIOANZNO-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089427900 769072351 /nfs/dbraw/zinc/07/23/51/769072351.db2.gz SVROLUKIOANZNO-MSOLQXFVSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC000980083024 773838955 /nfs/dbraw/zinc/83/89/55/773838955.db2.gz GWOJLFWAXUZKIM-BBWFWOEESA-N 2 1 336.439 2.106 20 30 EEEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981809534 778253822 /nfs/dbraw/zinc/25/38/22/778253822.db2.gz LSQLLJXJJUEUPO-IBGZPJMESA-N 2 1 331.504 2.341 20 30 EEEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981809534 778253828 /nfs/dbraw/zinc/25/38/28/778253828.db2.gz LSQLLJXJJUEUPO-IBGZPJMESA-N 2 1 331.504 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981809534 778253833 /nfs/dbraw/zinc/25/38/33/778253833.db2.gz LSQLLJXJJUEUPO-IBGZPJMESA-N 2 1 331.504 2.341 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120422847 790615434 /nfs/dbraw/zinc/61/54/34/790615434.db2.gz PEPCGLLMRBCWGH-JKSUJKDBSA-N 2 1 327.900 2.394 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151774 778521259 /nfs/dbraw/zinc/52/12/59/778521259.db2.gz IAMGYFPWFVCRNL-QRVBRYPASA-N 2 1 327.472 2.098 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000982012576 778862406 /nfs/dbraw/zinc/86/24/06/778862406.db2.gz AGLWJCPGNFGDPU-CQSZACIVSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000982012576 778862414 /nfs/dbraw/zinc/86/24/14/778862414.db2.gz AGLWJCPGNFGDPU-CQSZACIVSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000982012576 778862419 /nfs/dbraw/zinc/86/24/19/778862419.db2.gz AGLWJCPGNFGDPU-CQSZACIVSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000982012576 778862425 /nfs/dbraw/zinc/86/24/25/778862425.db2.gz AGLWJCPGNFGDPU-CQSZACIVSA-N 2 1 325.884 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000982084973 779043469 /nfs/dbraw/zinc/04/34/69/779043469.db2.gz VARVHQMKQTYNSY-UHFFFAOYSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000982084973 779043476 /nfs/dbraw/zinc/04/34/76/779043476.db2.gz VARVHQMKQTYNSY-UHFFFAOYSA-N 2 1 339.911 2.395 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CC=C(C)C)C3)CC1 ZINC000982162327 779181200 /nfs/dbraw/zinc/18/12/00/779181200.db2.gz OLJQPIGGIYWPKG-UHFFFAOYSA-N 2 1 343.515 2.222 20 30 EEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982280135 779520178 /nfs/dbraw/zinc/52/01/78/779520178.db2.gz WGPYIIUWEOZQKA-RLLQIKCJSA-N 2 1 331.504 2.075 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088328965 783523010 /nfs/dbraw/zinc/52/30/10/783523010.db2.gz KMBIJRPKKXLAGS-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088328965 783523024 /nfs/dbraw/zinc/52/30/24/783523024.db2.gz KMBIJRPKKXLAGS-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945332285 783929060 /nfs/dbraw/zinc/92/90/60/783929060.db2.gz BXVWWJDJCCYFHU-NVXWUHKLSA-N 2 1 331.460 2.195 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3nccn31)CC2 ZINC001035194213 784083119 /nfs/dbraw/zinc/08/31/19/784083119.db2.gz WENXGRQALSPALJ-KRWDZBQOSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035194213 784083128 /nfs/dbraw/zinc/08/31/28/784083128.db2.gz WENXGRQALSPALJ-KRWDZBQOSA-N 2 1 340.471 2.098 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035194213 784083136 /nfs/dbraw/zinc/08/31/36/784083136.db2.gz WENXGRQALSPALJ-KRWDZBQOSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC(C)C)C2)CC1 ZINC001035195440 784087605 /nfs/dbraw/zinc/08/76/05/784087605.db2.gz WEUCKRLHESLUPY-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC(C)C)C2)CC1 ZINC001035195440 784087607 /nfs/dbraw/zinc/08/76/07/784087607.db2.gz WEUCKRLHESLUPY-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC(C)C)C2)CC1 ZINC001035195440 784087610 /nfs/dbraw/zinc/08/76/10/784087610.db2.gz WEUCKRLHESLUPY-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC(C)C)C2)CC1 ZINC001035195440 784087611 /nfs/dbraw/zinc/08/76/11/784087611.db2.gz WEUCKRLHESLUPY-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@H+](C(C)C)C3)CC2)CC1 ZINC001035256879 784205235 /nfs/dbraw/zinc/20/52/35/784205235.db2.gz NPQUDWYLXYWFGE-UHFFFAOYSA-N 2 1 331.504 2.055 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135690094 784250217 /nfs/dbraw/zinc/25/02/17/784250217.db2.gz FDNDGWLTKKBVQZ-MSOLQXFVSA-N 2 1 339.524 2.021 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135861958 784652845 /nfs/dbraw/zinc/65/28/45/784652845.db2.gz ZQGNBZRHQDPEAR-CABCVRRESA-N 2 1 348.466 2.412 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135977315 784926948 /nfs/dbraw/zinc/92/69/48/784926948.db2.gz SBDQVQVHTCLHOO-GJZGRUSLSA-N 2 1 348.466 2.412 20 30 EEEDMP C#CCNC(=O)CCNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000819445091 785548523 /nfs/dbraw/zinc/54/85/23/785548523.db2.gz NFTSOCLFDIMGJZ-UHFFFAOYSA-N 2 1 342.487 2.016 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1(C)C ZINC000995824000 785724855 /nfs/dbraw/zinc/72/48/55/785724855.db2.gz PJKFKMSUDURCHO-SJLPKXTDSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC001036239582 786077022 /nfs/dbraw/zinc/07/70/22/786077022.db2.gz LYBBIKPUTHMOKZ-YJBOKZPZSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996190682 786106534 /nfs/dbraw/zinc/10/65/34/786106534.db2.gz MXXDHMOWQDCNTF-QZTJIDSGSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(C)c2)CC1 ZINC000996686050 787134914 /nfs/dbraw/zinc/13/49/14/787134914.db2.gz RVNIWAQYKSMPEA-FQEVSTJZSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(C)c2)CC1 ZINC000996686050 787134920 /nfs/dbraw/zinc/13/49/20/787134920.db2.gz RVNIWAQYKSMPEA-FQEVSTJZSA-N 2 1 339.483 2.173 20 30 EEEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001107640573 787975976 /nfs/dbraw/zinc/97/59/76/787975976.db2.gz XCJMCDBQRKDEMH-QWFCFKBJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001107640573 787975980 /nfs/dbraw/zinc/97/59/80/787975980.db2.gz XCJMCDBQRKDEMH-QWFCFKBJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001107640573 787975984 /nfs/dbraw/zinc/97/59/84/787975984.db2.gz XCJMCDBQRKDEMH-QWFCFKBJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001107640573 787975987 /nfs/dbraw/zinc/97/59/87/787975987.db2.gz XCJMCDBQRKDEMH-QWFCFKBJSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646816 787997229 /nfs/dbraw/zinc/99/72/29/787997229.db2.gz XLZHYVZFEAOTCJ-SVFBPWRDSA-N 2 1 345.531 2.491 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001203456361 788167180 /nfs/dbraw/zinc/16/71/80/788167180.db2.gz WFYLGPKEPAFJAX-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908408 789775742 /nfs/dbraw/zinc/77/57/42/789775742.db2.gz BDXPKYATVVEMNV-HAGHYFMRSA-N 2 1 343.515 2.055 20 30 EEEDMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001147822848 791981442 /nfs/dbraw/zinc/98/14/42/791981442.db2.gz BUWWACHXFOXXMG-KDOFPFPSSA-N 2 1 346.450 2.024 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938150 793023983 /nfs/dbraw/zinc/02/39/83/793023983.db2.gz JKZAUVDNQNWIDJ-MSOLQXFVSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948055452 793428381 /nfs/dbraw/zinc/42/83/81/793428381.db2.gz CGMRRKHYUNBGRU-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@]2(C)C1 ZINC001092301320 793776700 /nfs/dbraw/zinc/77/67/00/793776700.db2.gz CWNNLBIEYASRNJ-RYRKJORJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092301320 793776704 /nfs/dbraw/zinc/77/67/04/793776704.db2.gz CWNNLBIEYASRNJ-RYRKJORJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092301320 793776705 /nfs/dbraw/zinc/77/67/05/793776705.db2.gz CWNNLBIEYASRNJ-RYRKJORJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092301320 793776709 /nfs/dbraw/zinc/77/67/09/793776709.db2.gz CWNNLBIEYASRNJ-RYRKJORJSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092675862 794223446 /nfs/dbraw/zinc/22/34/46/794223446.db2.gz OZKJSTAKZZREAB-BRWVUGGUSA-N 2 1 330.476 2.411 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092675862 794223451 /nfs/dbraw/zinc/22/34/51/794223451.db2.gz OZKJSTAKZZREAB-BRWVUGGUSA-N 2 1 330.476 2.411 20 30 EEEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907438 794426825 /nfs/dbraw/zinc/42/68/25/794426825.db2.gz NENHJZAOABVMJU-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907438 794426832 /nfs/dbraw/zinc/42/68/32/794426832.db2.gz NENHJZAOABVMJU-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907438 794426841 /nfs/dbraw/zinc/42/68/41/794426841.db2.gz NENHJZAOABVMJU-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968435 794505724 /nfs/dbraw/zinc/50/57/24/794505724.db2.gz TUVOWXCYGLKDRE-YLJYHZDGSA-N 2 1 341.499 2.112 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717582 794611991 /nfs/dbraw/zinc/61/19/91/794611991.db2.gz YBTKKWJKGUKPSB-ZWKOTPCHSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089944092 794995845 /nfs/dbraw/zinc/99/58/45/794995845.db2.gz YAHWWYLBCGHCFC-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089944092 794995851 /nfs/dbraw/zinc/99/58/51/794995851.db2.gz YAHWWYLBCGHCFC-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944092 794995856 /nfs/dbraw/zinc/99/58/56/794995856.db2.gz YAHWWYLBCGHCFC-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089944092 794995861 /nfs/dbraw/zinc/99/58/61/794995861.db2.gz YAHWWYLBCGHCFC-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001093363293 795090225 /nfs/dbraw/zinc/09/02/25/795090225.db2.gz YMNDYCLLPRKKTM-ZWKOTPCHSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093363293 795090234 /nfs/dbraw/zinc/09/02/34/795090234.db2.gz YMNDYCLLPRKKTM-ZWKOTPCHSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093363293 795090241 /nfs/dbraw/zinc/09/02/41/795090241.db2.gz YMNDYCLLPRKKTM-ZWKOTPCHSA-N 2 1 331.504 2.360 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001093366477 795094563 /nfs/dbraw/zinc/09/45/63/795094563.db2.gz FZYLWFXOKSNJFE-IBGZPJMESA-N 2 1 340.471 2.069 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001093371939 795103217 /nfs/dbraw/zinc/10/32/17/795103217.db2.gz XAJSFNKOYCLHNE-HXUWFJFHSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001093371939 795103222 /nfs/dbraw/zinc/10/32/22/795103222.db2.gz XAJSFNKOYCLHNE-HXUWFJFHSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001093371939 795103228 /nfs/dbraw/zinc/10/32/28/795103228.db2.gz XAJSFNKOYCLHNE-HXUWFJFHSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)CCO2 ZINC001093407839 795145649 /nfs/dbraw/zinc/14/56/49/795145649.db2.gz MJBKEGMSHYZZOR-ZJRDLVKKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001093533906 795319712 /nfs/dbraw/zinc/31/97/12/795319712.db2.gz CYGWVXRZZZGLII-LJQANCHMSA-N 2 1 349.519 2.127 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001093533906 795319719 /nfs/dbraw/zinc/31/97/19/795319719.db2.gz CYGWVXRZZZGLII-LJQANCHMSA-N 2 1 349.519 2.127 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001106349318 795431361 /nfs/dbraw/zinc/43/13/61/795431361.db2.gz IVBXBLSGWVDRAN-IAGOWNOFSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171872300 796760780 /nfs/dbraw/zinc/76/07/80/796760780.db2.gz BPYZBTDRXLPFJJ-BHASAWDCSA-N 2 1 349.519 2.080 20 30 EEEDMP C=C(C)C[NH+]1CCC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001975891 797413765 /nfs/dbraw/zinc/41/37/65/797413765.db2.gz XWCUYGPLZMFGAF-UHFFFAOYSA-N 2 1 339.443 2.285 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565226 798499184 /nfs/dbraw/zinc/49/91/84/798499184.db2.gz URFKTOLRYVLSQB-HUUCEWRRSA-N 2 1 348.516 2.336 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001003056848 799141081 /nfs/dbraw/zinc/14/10/81/799141081.db2.gz UVQOGVSSSWDZLO-FQEVSTJZSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001003056848 799141084 /nfs/dbraw/zinc/14/10/84/799141084.db2.gz UVQOGVSSSWDZLO-FQEVSTJZSA-N 2 1 339.483 2.173 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001178045951 799231623 /nfs/dbraw/zinc/23/16/23/799231623.db2.gz ZXXDINMKWMJCRP-LJQANCHMSA-N 2 1 342.487 2.419 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001003143889 799287444 /nfs/dbraw/zinc/28/74/44/799287444.db2.gz GQXYFCAGLASHMP-HZPDHXFCSA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001003143889 799287448 /nfs/dbraw/zinc/28/74/48/799287448.db2.gz GQXYFCAGLASHMP-HZPDHXFCSA-N 2 1 325.884 2.336 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001180331373 800383745 /nfs/dbraw/zinc/38/37/45/800383745.db2.gz IRMTZLVDTWDURL-ZWKOTPCHSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001180331373 800383753 /nfs/dbraw/zinc/38/37/53/800383753.db2.gz IRMTZLVDTWDURL-ZWKOTPCHSA-N 2 1 339.524 2.328 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001183759635 801724565 /nfs/dbraw/zinc/72/45/65/801724565.db2.gz NWTWMADPLUAAII-MRXNPFEDSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001004432709 802041354 /nfs/dbraw/zinc/04/13/54/802041354.db2.gz DRTUZXKUQCKZKP-RBUKOAKNSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004432709 802041361 /nfs/dbraw/zinc/04/13/61/802041361.db2.gz DRTUZXKUQCKZKP-RBUKOAKNSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004432709 802041366 /nfs/dbraw/zinc/04/13/66/802041366.db2.gz DRTUZXKUQCKZKP-RBUKOAKNSA-N 2 1 331.504 2.195 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001184702135 802137497 /nfs/dbraw/zinc/13/74/97/802137497.db2.gz UGXKCDUUZBBZBK-CABCVRRESA-N 2 1 334.464 2.000 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001004479477 802183572 /nfs/dbraw/zinc/18/35/72/802183572.db2.gz FXKPHKVGEKUAPD-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004479477 802183575 /nfs/dbraw/zinc/18/35/75/802183575.db2.gz FXKPHKVGEKUAPD-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001004479477 802183580 /nfs/dbraw/zinc/18/35/80/802183580.db2.gz FXKPHKVGEKUAPD-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498103 802229988 /nfs/dbraw/zinc/22/99/88/802229988.db2.gz MJYIRMWSISMGMT-WOJBJXKFSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004549160 802351212 /nfs/dbraw/zinc/35/12/12/802351212.db2.gz UVOQQEYRXKNFDG-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001004549160 802351218 /nfs/dbraw/zinc/35/12/18/802351218.db2.gz UVOQQEYRXKNFDG-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001004549160 802351227 /nfs/dbraw/zinc/35/12/27/802351227.db2.gz UVOQQEYRXKNFDG-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086386646 802875228 /nfs/dbraw/zinc/87/52/28/802875228.db2.gz BDDKMSBPXZGNMX-JYJNAYRXSA-N 2 1 327.900 2.201 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804270742 803308888 /nfs/dbraw/zinc/30/88/88/803308888.db2.gz CAIOEDIUZBEUNX-KRWDZBQOSA-N 2 1 327.428 2.345 20 30 EEEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001108434679 803566653 /nfs/dbraw/zinc/56/66/53/803566653.db2.gz VBDJNIOCQXCYJE-LJQANCHMSA-N 2 1 337.508 2.036 20 30 EEEDMP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797689 804052897 /nfs/dbraw/zinc/05/28/97/804052897.db2.gz IYRWSKICJGCWSR-ZIAGYGMSSA-N 2 1 346.313 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC=C(C)C)CC1 ZINC001098461170 807129793 /nfs/dbraw/zinc/12/97/93/807129793.db2.gz RPUGGEFLHDDAEK-QRVBRYPASA-N 2 1 329.488 2.019 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC001129771109 810994983 /nfs/dbraw/zinc/99/49/83/810994983.db2.gz RDRGCNLZRILYEM-ROUUACIJSA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC001129771109 810994989 /nfs/dbraw/zinc/99/49/89/810994989.db2.gz RDRGCNLZRILYEM-ROUUACIJSA-N 2 1 349.425 2.219 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001130401706 811580169 /nfs/dbraw/zinc/58/01/69/811580169.db2.gz LCKDEKBYRGRGKU-OAHLLOKOSA-N 2 1 347.507 2.122 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001130401706 811580177 /nfs/dbraw/zinc/58/01/77/811580177.db2.gz LCKDEKBYRGRGKU-OAHLLOKOSA-N 2 1 347.507 2.122 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001130401706 811580184 /nfs/dbraw/zinc/58/01/84/811580184.db2.gz LCKDEKBYRGRGKU-OAHLLOKOSA-N 2 1 347.507 2.122 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086659213 812430311 /nfs/dbraw/zinc/43/03/11/812430311.db2.gz NXBDWRJBTBBJRN-OTWHNJEPSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC1([NH+](C)C)CCCC1)C[C@@H](C)O2 ZINC001131669843 813102682 /nfs/dbraw/zinc/10/26/82/813102682.db2.gz UZSZWIXSDCVHFF-YLJYHZDGSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001441670727 1095643705 /nfs/dbraw/zinc/64/37/05/1095643705.db2.gz FDKMGVMXHWOIDV-GJZGRUSLSA-N 2 1 327.900 2.440 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001444305682 1098861496 /nfs/dbraw/zinc/86/14/96/1098861496.db2.gz GDRYKBJPLMAXDE-APWZRJJASA-N 2 1 342.487 2.273 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001480708780 1106918994 /nfs/dbraw/zinc/91/89/94/1106918994.db2.gz QQIPLFRJDOCHIA-UONOGXRCSA-N 2 1 346.313 2.254 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501081019 1113192051 /nfs/dbraw/zinc/19/20/51/1113192051.db2.gz XEUSWRGJABMALU-LPHOPBHVSA-N 2 1 342.487 2.227 20 30 EEEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266588206 248373144 /nfs/dbraw/zinc/37/31/44/248373144.db2.gz KXOQEEJLSNBWHB-OALUTQOASA-N 2 1 343.471 2.106 20 30 EEEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266588206 248373147 /nfs/dbraw/zinc/37/31/47/248373147.db2.gz KXOQEEJLSNBWHB-OALUTQOASA-N 2 1 343.471 2.106 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000491768938 533107229 /nfs/dbraw/zinc/10/72/29/533107229.db2.gz KGJIGRLJZTYUDS-UHFFFAOYSA-N 2 1 327.472 2.357 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087704742 782080605 /nfs/dbraw/zinc/08/06/05/782080605.db2.gz GTHPICDHUCWBRD-RYQLBKOJSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087704742 782080612 /nfs/dbraw/zinc/08/06/12/782080612.db2.gz GTHPICDHUCWBRD-RYQLBKOJSA-N 2 1 330.476 2.299 20 30 EEEDMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C[C@@H](C)O1 ZINC000339062327 465059450 /nfs/dbraw/zinc/05/94/50/465059450.db2.gz BCJGAIXAOMUJBC-BRSBDYLESA-N 2 1 335.492 2.269 20 30 EEEDMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000052209130 463069433 /nfs/dbraw/zinc/06/94/33/463069433.db2.gz IFIBWEIKEGZJFG-IBGZPJMESA-N 2 1 336.524 2.485 20 30 EEEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000052209130 463069436 /nfs/dbraw/zinc/06/94/36/463069436.db2.gz IFIBWEIKEGZJFG-IBGZPJMESA-N 2 1 336.524 2.485 20 30 EEEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157389685 463127128 /nfs/dbraw/zinc/12/71/28/463127128.db2.gz SGHYONISIZNXOQ-INIZCTEOSA-N 2 1 332.492 2.468 20 30 EEEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150752289 463420287 /nfs/dbraw/zinc/42/02/87/463420287.db2.gz KLTQAKLWDNYDCP-KRWDZBQOSA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+](C)CCN1CCC(C[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000126721358 463659835 /nfs/dbraw/zinc/65/98/35/463659835.db2.gz DGZZSTWOICTYJC-UHFFFAOYSA-N 2 1 340.515 2.474 20 30 EEEDMP CC[N@H+]1CC[C@@H](CNC(=[NH+]C)N(C)Cc2cc(Cl)cn2C)C1 ZINC000261967827 463913442 /nfs/dbraw/zinc/91/34/42/463913442.db2.gz LWBYGDVZHWRYDM-ZDUSSCGKSA-N 2 1 325.888 2.028 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C)C(C)C ZINC000344278302 465601217 /nfs/dbraw/zinc/60/12/17/465601217.db2.gz FVAFZHUYASELPD-OKZBNKHCSA-N 2 1 336.524 2.467 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)C(C)C ZINC000422163374 466668706 /nfs/dbraw/zinc/66/87/06/466668706.db2.gz FPWGHRGWWHZNCZ-ZWKOTPCHSA-N 2 1 336.524 2.421 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000488846369 468108618 /nfs/dbraw/zinc/10/86/18/468108618.db2.gz STKLYJYRDFTCKD-YQVWRLOYSA-N 2 1 348.535 2.399 20 30 EEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1CC ZINC001087728179 782139705 /nfs/dbraw/zinc/13/97/05/782139705.db2.gz IGMRDAWORNSBBM-DOTOQJQBSA-N 2 1 332.448 2.039 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1CC ZINC001087728179 782139711 /nfs/dbraw/zinc/13/97/11/782139711.db2.gz IGMRDAWORNSBBM-DOTOQJQBSA-N 2 1 332.448 2.039 20 30 EEEDMP C[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000160020645 526356493 /nfs/dbraw/zinc/35/64/93/526356493.db2.gz IBGBEIJZNLOIGA-OKZBNKHCSA-N 2 1 346.523 2.073 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000730099039 576714924 /nfs/dbraw/zinc/71/49/24/576714924.db2.gz XJQBHMODYHZCDZ-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000730099039 576714927 /nfs/dbraw/zinc/71/49/27/576714927.db2.gz XJQBHMODYHZCDZ-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCc2ccccc2-n2cc[nH+]c2C)CC1 ZINC000747212390 577940904 /nfs/dbraw/zinc/94/09/04/577940904.db2.gz FNBXINMPEYVIIA-UHFFFAOYSA-N 2 1 336.439 2.142 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000970655315 676051784 /nfs/dbraw/zinc/05/17/84/676051784.db2.gz SHKSXRYWQJUVIF-HNNXBMFYSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCCC2)C1 ZINC000969865429 675266267 /nfs/dbraw/zinc/26/62/67/675266267.db2.gz NOZBTGHDZJKKKN-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCCC2)C1 ZINC000969865429 675266272 /nfs/dbraw/zinc/26/62/72/675266272.db2.gz NOZBTGHDZJKKKN-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCCC2)C1 ZINC000969866189 675267862 /nfs/dbraw/zinc/26/78/62/675267862.db2.gz USZWUHDSLFTNPD-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCCC2)C1 ZINC000969866189 675267867 /nfs/dbraw/zinc/26/78/67/675267867.db2.gz USZWUHDSLFTNPD-XLIONFOSSA-N 2 1 345.531 2.491 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)CCC1 ZINC000971673216 676732293 /nfs/dbraw/zinc/73/22/93/676732293.db2.gz CYRJSXXJISEUPU-GOSISDBHSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000889016062 678622179 /nfs/dbraw/zinc/62/21/79/678622179.db2.gz PHAYESRRERGMKG-NZSAHSFTSA-N 2 1 342.487 2.075 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000889016062 678622182 /nfs/dbraw/zinc/62/21/82/678622182.db2.gz PHAYESRRERGMKG-NZSAHSFTSA-N 2 1 342.487 2.075 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC001026893497 685259300 /nfs/dbraw/zinc/25/93/00/685259300.db2.gz HZIBDEAMTDADEE-ICSRJNTNSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC001026893497 685259303 /nfs/dbraw/zinc/25/93/03/685259303.db2.gz HZIBDEAMTDADEE-ICSRJNTNSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832303 681350987 /nfs/dbraw/zinc/35/09/87/681350987.db2.gz WRGSBQDIEAYGLN-TZRIAGMCSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@]2(C)C1 ZINC000982694816 682049246 /nfs/dbraw/zinc/04/92/46/682049246.db2.gz QYNKGKHQQBTILI-OYRHEFFESA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982735438 682120535 /nfs/dbraw/zinc/12/05/35/682120535.db2.gz HPPNGHVHSMHTIE-RLLQIKCJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982735438 682120537 /nfs/dbraw/zinc/12/05/37/682120537.db2.gz HPPNGHVHSMHTIE-RLLQIKCJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982735438 682120541 /nfs/dbraw/zinc/12/05/41/682120541.db2.gz HPPNGHVHSMHTIE-RLLQIKCJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(CN(C)C)on1 ZINC001025246778 682315526 /nfs/dbraw/zinc/31/55/26/682315526.db2.gz ZGYDWSWLIJZADR-ROUUACIJSA-N 2 1 346.475 2.381 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028895959 682441588 /nfs/dbraw/zinc/44/15/88/682441588.db2.gz GAOMEOWZPKHRKV-INIZCTEOSA-N 2 1 339.443 2.285 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028895959 682441589 /nfs/dbraw/zinc/44/15/89/682441589.db2.gz GAOMEOWZPKHRKV-INIZCTEOSA-N 2 1 339.443 2.285 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000983901937 683742896 /nfs/dbraw/zinc/74/28/96/683742896.db2.gz OQWOHPJGPYLENV-SZMVWBNQSA-N 2 1 331.504 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000983901937 683742899 /nfs/dbraw/zinc/74/28/99/683742899.db2.gz OQWOHPJGPYLENV-SZMVWBNQSA-N 2 1 331.504 2.005 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)Cc3cn4c(n3)CCCC4)CCC[C@H]12 ZINC000990814803 693908620 /nfs/dbraw/zinc/90/86/20/693908620.db2.gz JGERTMHKRKXYTG-LPHOPBHVSA-N 2 1 328.460 2.061 20 30 EEEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N(C)Cc1cccc(F)c1 ZINC000262827555 688546524 /nfs/dbraw/zinc/54/65/24/688546524.db2.gz YRJACZDCPCMSNU-KRWDZBQOSA-N 2 1 338.496 2.270 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948565636 1193244563 /nfs/dbraw/zinc/24/45/63/1193244563.db2.gz GHSVNJCNGOWVQZ-OAHLLOKOSA-N 2 1 334.464 2.239 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948565636 1193244565 /nfs/dbraw/zinc/24/45/65/1193244565.db2.gz GHSVNJCNGOWVQZ-OAHLLOKOSA-N 2 1 334.464 2.239 20 30 EEEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105578710 1188194225 /nfs/dbraw/zinc/19/42/25/1188194225.db2.gz FGQMSRWDFRUJBG-GOSISDBHSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033440957 1194570967 /nfs/dbraw/zinc/57/09/67/1194570967.db2.gz WZNMDYYZNDDROJ-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033440957 1194570969 /nfs/dbraw/zinc/57/09/69/1194570969.db2.gz WZNMDYYZNDDROJ-ZCNNSNEGSA-N 2 1 341.499 2.441 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033881427 1195437646 /nfs/dbraw/zinc/43/76/46/1195437646.db2.gz RAWUPYCAKJMIIC-HOTGVXAUSA-N 2 1 330.476 2.322 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033881427 1195437649 /nfs/dbraw/zinc/43/76/49/1195437649.db2.gz RAWUPYCAKJMIIC-HOTGVXAUSA-N 2 1 330.476 2.322 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001034045764 1195696617 /nfs/dbraw/zinc/69/66/17/1195696617.db2.gz MSVZGBOTQUFRMG-QLOJAFMTSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001034047121 1195698608 /nfs/dbraw/zinc/69/86/08/1195698608.db2.gz ZGOBBGUCTYPQLP-VWTAQGJOSA-N 2 1 337.895 2.007 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001034047121 1195698610 /nfs/dbraw/zinc/69/86/10/1195698610.db2.gz ZGOBBGUCTYPQLP-VWTAQGJOSA-N 2 1 337.895 2.007 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311017 1196080587 /nfs/dbraw/zinc/08/05/87/1196080587.db2.gz CWMFEEYUBCMBKE-MRXNPFEDSA-N 2 1 330.476 2.309 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311017 1196080590 /nfs/dbraw/zinc/08/05/90/1196080590.db2.gz CWMFEEYUBCMBKE-MRXNPFEDSA-N 2 1 330.476 2.309 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001005723605 1196748078 /nfs/dbraw/zinc/74/80/78/1196748078.db2.gz SUNYWGXTWZKOKH-UHFFFAOYSA-N 2 1 330.476 2.261 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132154320 1199365814 /nfs/dbraw/zinc/36/58/14/1199365814.db2.gz YROLQVSYXHOVAS-DOTOQJQBSA-N 2 1 342.443 2.120 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001134763323 1199798489 /nfs/dbraw/zinc/79/84/89/1199798489.db2.gz UWEXBALOLLIJKC-SFHVURJKSA-N 2 1 346.450 2.166 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCCC)C2)CC1 ZINC001132518788 1199803362 /nfs/dbraw/zinc/80/33/62/1199803362.db2.gz OGHBCMAJIMBMSC-HKUYNNGSSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133146441 1200519332 /nfs/dbraw/zinc/51/93/32/1200519332.db2.gz JTYDAWSXVKENAH-QZTJIDSGSA-N 2 1 344.503 2.494 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001133399607 1200835305 /nfs/dbraw/zinc/83/53/05/1200835305.db2.gz TYIMJQDPPWIBGU-GOSISDBHSA-N 2 1 347.890 2.376 20 30 EEEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCOC2)cc1C#N ZINC001275172835 1205273780 /nfs/dbraw/zinc/27/37/80/1205273780.db2.gz WRBNFJAOKMMBEW-MIGBEJBISA-N 2 1 328.460 2.018 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)n1 ZINC001275606186 1205441926 /nfs/dbraw/zinc/44/19/26/1205441926.db2.gz YYIPJIYWPXTLQW-CALCHBBNSA-N 2 1 336.443 2.020 20 30 EEEDMP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)n1 ZINC001275606186 1205441928 /nfs/dbraw/zinc/44/19/28/1205441928.db2.gz YYIPJIYWPXTLQW-CALCHBBNSA-N 2 1 336.443 2.020 20 30 EEEDMP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)n1 ZINC001275606186 1205441930 /nfs/dbraw/zinc/44/19/30/1205441930.db2.gz YYIPJIYWPXTLQW-CALCHBBNSA-N 2 1 336.443 2.020 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001111099135 1208168942 /nfs/dbraw/zinc/16/89/42/1208168942.db2.gz RJDXZASGKZHFBY-AKHDSKFASA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001111099135 1208168945 /nfs/dbraw/zinc/16/89/45/1208168945.db2.gz RJDXZASGKZHFBY-AKHDSKFASA-N 2 1 349.519 2.173 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948065101 1208850929 /nfs/dbraw/zinc/85/09/29/1208850929.db2.gz HGQYPQMFUKQDGZ-WMZOPIPTSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711011 1209317610 /nfs/dbraw/zinc/31/76/10/1209317610.db2.gz KBUWRDSXTNLGBI-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711011 1209317614 /nfs/dbraw/zinc/31/76/14/1209317614.db2.gz KBUWRDSXTNLGBI-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711011 1209317617 /nfs/dbraw/zinc/31/76/17/1209317617.db2.gz KBUWRDSXTNLGBI-MOPGFXCFSA-N 2 1 333.520 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948716746 1209321898 /nfs/dbraw/zinc/32/18/98/1209321898.db2.gz DWGMEKJHJKDEJP-ROUUACIJSA-N 2 1 342.487 2.090 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000948716746 1209321902 /nfs/dbraw/zinc/32/19/02/1209321902.db2.gz DWGMEKJHJKDEJP-ROUUACIJSA-N 2 1 342.487 2.090 20 30 EEEDMP C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC000951551591 1210878595 /nfs/dbraw/zinc/87/85/95/1210878595.db2.gz ZAVPKXOFSUZTBM-MRXNPFEDSA-N 2 1 330.476 2.253 20 30 EEEDMP CCC(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)[NH+]1CCCC1 ZINC000303774052 1213903968 /nfs/dbraw/zinc/90/39/68/1213903968.db2.gz FTBKUIKFGWPCLN-ROUUACIJSA-N 3 1 337.556 2.276 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC000957550104 1215202101 /nfs/dbraw/zinc/20/21/01/1215202101.db2.gz JXEYDPVEXULTRR-MOPGFXCFSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000957561139 1215211835 /nfs/dbraw/zinc/21/18/35/1215211835.db2.gz GIIVLSAOYILFCM-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000957561139 1215211838 /nfs/dbraw/zinc/21/18/38/1215211838.db2.gz GIIVLSAOYILFCM-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC000957579544 1215226566 /nfs/dbraw/zinc/22/65/66/1215226566.db2.gz REVIAGNWACPLSP-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000304762536 1216104052 /nfs/dbraw/zinc/10/40/52/1216104052.db2.gz VTRVKQHKHLBDHX-HNNXBMFYSA-N 2 1 349.910 2.119 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000960301358 1216482140 /nfs/dbraw/zinc/48/21/40/1216482140.db2.gz APQKPACLZKFPTL-QZTJIDSGSA-N 2 1 347.890 2.453 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000960325814 1216495374 /nfs/dbraw/zinc/49/53/74/1216495374.db2.gz DSFXTSLXSBBXPY-QKYXUNIQSA-N 2 1 327.472 2.276 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC000960880254 1216957981 /nfs/dbraw/zinc/95/79/81/1216957981.db2.gz JIKUHUHCDPBIRQ-MOPGFXCFSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC000960880254 1216957983 /nfs/dbraw/zinc/95/79/83/1216957983.db2.gz JIKUHUHCDPBIRQ-MOPGFXCFSA-N 2 1 342.487 2.321 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000961206827 1217089474 /nfs/dbraw/zinc/08/94/74/1217089474.db2.gz XTLYDHNZUXWOON-HZPDHXFCSA-N 2 1 346.475 2.096 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000961206827 1217089476 /nfs/dbraw/zinc/08/94/76/1217089476.db2.gz XTLYDHNZUXWOON-HZPDHXFCSA-N 2 1 346.475 2.096 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419548 1217615166 /nfs/dbraw/zinc/61/51/66/1217615166.db2.gz VMCCXNQDBGZODR-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419548 1217615170 /nfs/dbraw/zinc/61/51/70/1217615170.db2.gz VMCCXNQDBGZODR-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326083 1221210296 /nfs/dbraw/zinc/21/02/96/1221210296.db2.gz CRFGNIIIIKQINK-PXNSSMCTSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016663877 1226748402 /nfs/dbraw/zinc/74/84/02/1226748402.db2.gz VZXFKPXLDGKPOS-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001016734080 1226825432 /nfs/dbraw/zinc/82/54/32/1226825432.db2.gz RLJYAVPYGBFPMO-GOSISDBHSA-N 2 1 342.487 2.309 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039133729 1230343921 /nfs/dbraw/zinc/34/39/21/1230343921.db2.gz URCBAFUJXOYJAF-SLFFLAALSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039133729 1230343925 /nfs/dbraw/zinc/34/39/25/1230343925.db2.gz URCBAFUJXOYJAF-SLFFLAALSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039133729 1230343929 /nfs/dbraw/zinc/34/39/29/1230343929.db2.gz URCBAFUJXOYJAF-SLFFLAALSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001039133465 1230344053 /nfs/dbraw/zinc/34/40/53/1230344053.db2.gz IHWGJNOJAFJHIS-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CCC)C2)CC1 ZINC001039133465 1230344057 /nfs/dbraw/zinc/34/40/57/1230344057.db2.gz IHWGJNOJAFJHIS-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CCC)C2)CC1 ZINC001039133465 1230344062 /nfs/dbraw/zinc/34/40/62/1230344062.db2.gz IHWGJNOJAFJHIS-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CCC)C2)CC1 ZINC001039133465 1230344066 /nfs/dbraw/zinc/34/40/66/1230344066.db2.gz IHWGJNOJAFJHIS-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140401 1230355790 /nfs/dbraw/zinc/35/57/90/1230355790.db2.gz FYWPEXLULNCHTJ-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140401 1230355795 /nfs/dbraw/zinc/35/57/95/1230355795.db2.gz FYWPEXLULNCHTJ-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140401 1230355799 /nfs/dbraw/zinc/35/57/99/1230355799.db2.gz FYWPEXLULNCHTJ-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001039270572 1230501860 /nfs/dbraw/zinc/50/18/60/1230501860.db2.gz MLQBMWHMVSFCQI-UYTSQGDYSA-N 2 1 325.884 2.335 20 30 EEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001039288796 1230510623 /nfs/dbraw/zinc/51/06/23/1230510623.db2.gz HQLMFOIKHNOJAY-NPYXIHBLSA-N 2 1 328.460 2.448 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039301435 1230516593 /nfs/dbraw/zinc/51/65/93/1230516593.db2.gz IPQZIBHREYJILL-IPQPSQTFSA-N 2 1 331.504 2.384 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039398075 1230581334 /nfs/dbraw/zinc/58/13/34/1230581334.db2.gz KJWTWYGLJLFSDV-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039398075 1230581337 /nfs/dbraw/zinc/58/13/37/1230581337.db2.gz KJWTWYGLJLFSDV-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039398075 1230581339 /nfs/dbraw/zinc/58/13/39/1230581339.db2.gz KJWTWYGLJLFSDV-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001039398075 1230581342 /nfs/dbraw/zinc/58/13/42/1230581342.db2.gz KJWTWYGLJLFSDV-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001039423966 1230601960 /nfs/dbraw/zinc/60/19/60/1230601960.db2.gz VNCBFYCVUPCNOT-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039423966 1230601962 /nfs/dbraw/zinc/60/19/62/1230601962.db2.gz VNCBFYCVUPCNOT-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039423966 1230601965 /nfs/dbraw/zinc/60/19/65/1230601965.db2.gz VNCBFYCVUPCNOT-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040275124 1231147414 /nfs/dbraw/zinc/14/74/14/1231147414.db2.gz INYIGTIYSUQIMS-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275124 1231147417 /nfs/dbraw/zinc/14/74/17/1231147417.db2.gz INYIGTIYSUQIMS-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275124 1231147423 /nfs/dbraw/zinc/14/74/23/1231147423.db2.gz INYIGTIYSUQIMS-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040817863 1231378674 /nfs/dbraw/zinc/37/86/74/1231378674.db2.gz WGCRTEMFFGRAMQ-IBGZPJMESA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001040883234 1231395266 /nfs/dbraw/zinc/39/52/66/1231395266.db2.gz LAJMJCWONIWAAT-OALUTQOASA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847651 1231730228 /nfs/dbraw/zinc/73/02/28/1231730228.db2.gz TZVSAUPCZPAPHN-FPOVZHCZSA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847651 1231730230 /nfs/dbraw/zinc/73/02/30/1231730230.db2.gz TZVSAUPCZPAPHN-FPOVZHCZSA-N 2 1 339.483 2.237 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001045093043 1233497061 /nfs/dbraw/zinc/49/70/61/1233497061.db2.gz LESOKZQZAFLMKL-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001045668024 1233895856 /nfs/dbraw/zinc/89/58/56/1233895856.db2.gz YAMUCYXALLZXGW-ROUUACIJSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938474 1234193384 /nfs/dbraw/zinc/19/33/84/1234193384.db2.gz BYPWGMMEQPJGRG-GGPKGHCWSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045938474 1234193386 /nfs/dbraw/zinc/19/33/86/1234193386.db2.gz BYPWGMMEQPJGRG-GGPKGHCWSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045938474 1234193388 /nfs/dbraw/zinc/19/33/88/1234193388.db2.gz BYPWGMMEQPJGRG-GGPKGHCWSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977742 1234264729 /nfs/dbraw/zinc/26/47/29/1234264729.db2.gz HOCAIKWZRDRGDH-OAQYLSRUSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001046850604 1235247915 /nfs/dbraw/zinc/24/79/15/1235247915.db2.gz XOAUZIORLHDMKB-HXUWFJFHSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046941406 1235333905 /nfs/dbraw/zinc/33/39/05/1235333905.db2.gz NCNLQPGHSMNSBD-OWCLPIDISA-N 2 1 343.462 2.366 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046941406 1235333907 /nfs/dbraw/zinc/33/39/07/1235333907.db2.gz NCNLQPGHSMNSBD-OWCLPIDISA-N 2 1 343.462 2.366 20 30 EEEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046941406 1235333909 /nfs/dbraw/zinc/33/39/09/1235333909.db2.gz NCNLQPGHSMNSBD-OWCLPIDISA-N 2 1 343.462 2.366 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](C/C=C/Cl)C3)CC1 ZINC001047209715 1235673962 /nfs/dbraw/zinc/67/39/62/1235673962.db2.gz WOAVDUZUIOLHSI-BDFCZHGLSA-N 2 1 349.906 2.053 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887614 1239144034 /nfs/dbraw/zinc/14/40/34/1239144034.db2.gz CZPCELQNVUMAKD-YYIAUSFCSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048887614 1239144042 /nfs/dbraw/zinc/14/40/42/1239144042.db2.gz CZPCELQNVUMAKD-YYIAUSFCSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048887614 1239144058 /nfs/dbraw/zinc/14/40/58/1239144058.db2.gz CZPCELQNVUMAKD-YYIAUSFCSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001000246682 1240098396 /nfs/dbraw/zinc/09/83/96/1240098396.db2.gz CPZJPHJJAQEJMX-UHFFFAOYSA-N 2 1 339.911 2.442 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049235028 1240338252 /nfs/dbraw/zinc/33/82/52/1240338252.db2.gz RDZNDVLOFHPNAC-CEXWTWQISA-N 2 1 327.472 2.256 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049235028 1240338256 /nfs/dbraw/zinc/33/82/56/1240338256.db2.gz RDZNDVLOFHPNAC-CEXWTWQISA-N 2 1 327.472 2.256 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477929 1241073928 /nfs/dbraw/zinc/07/39/28/1241073928.db2.gz KLVLWUAEKJYOFO-ZWKOTPCHSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561748 1241424575 /nfs/dbraw/zinc/42/45/75/1241424575.db2.gz QATOXWVWEOIXAL-RBUKOAKNSA-N 2 1 336.439 2.345 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001049720689 1241989256 /nfs/dbraw/zinc/98/92/56/1241989256.db2.gz SJHPMXIDJUTNNB-QZTJIDSGSA-N 2 1 344.459 2.135 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001049720689 1241989270 /nfs/dbraw/zinc/98/92/70/1241989270.db2.gz SJHPMXIDJUTNNB-QZTJIDSGSA-N 2 1 344.459 2.135 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049760747 1242114603 /nfs/dbraw/zinc/11/46/03/1242114603.db2.gz BTABDZPTGHYBJR-MSOLQXFVSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049760747 1242114606 /nfs/dbraw/zinc/11/46/06/1242114606.db2.gz BTABDZPTGHYBJR-MSOLQXFVSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](C[C@H](C)CC)CC2)CC1 ZINC001001468738 1242330227 /nfs/dbraw/zinc/33/02/27/1242330227.db2.gz VRDALKWIPXKIHM-QGZVFWFLSA-N 2 1 331.504 2.126 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101589193 1245994489 /nfs/dbraw/zinc/99/44/89/1245994489.db2.gz BZLKYWGENLPDMO-KRWDZBQOSA-N 2 1 333.520 2.206 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CCO2 ZINC001053459703 1246358123 /nfs/dbraw/zinc/35/81/23/1246358123.db2.gz WZJFXGJLAAWYPA-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CCO2 ZINC001053459703 1246358129 /nfs/dbraw/zinc/35/81/29/1246358129.db2.gz WZJFXGJLAAWYPA-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)O2 ZINC001053673681 1246626577 /nfs/dbraw/zinc/62/65/77/1246626577.db2.gz FGYKDRUHRVDSCL-QZTJIDSGSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001054233238 1247800726 /nfs/dbraw/zinc/80/07/26/1247800726.db2.gz GBOJQHGNLLQDHT-QGZVFWFLSA-N 2 1 336.867 2.328 20 30 EEEDMP C=C(Cl)CN1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001054233238 1247800739 /nfs/dbraw/zinc/80/07/39/1247800739.db2.gz GBOJQHGNLLQDHT-QGZVFWFLSA-N 2 1 336.867 2.328 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547429 1254318073 /nfs/dbraw/zinc/31/80/73/1254318073.db2.gz UMEJKTYFDLCHER-HOCLYGCPSA-N 2 1 333.501 2.416 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547429 1254318081 /nfs/dbraw/zinc/31/80/81/1254318081.db2.gz UMEJKTYFDLCHER-HOCLYGCPSA-N 2 1 333.501 2.416 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099663 1254931360 /nfs/dbraw/zinc/93/13/60/1254931360.db2.gz VJQJIFHYCRQFDM-AEFFLSMTSA-N 2 1 327.472 2.354 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001098191711 1257621071 /nfs/dbraw/zinc/62/10/71/1257621071.db2.gz NHADAURKYNHUFD-AKHDSKFASA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001098191711 1257621076 /nfs/dbraw/zinc/62/10/76/1257621076.db2.gz NHADAURKYNHUFD-AKHDSKFASA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001098191711 1257621084 /nfs/dbraw/zinc/62/10/84/1257621084.db2.gz NHADAURKYNHUFD-AKHDSKFASA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001098191711 1257621092 /nfs/dbraw/zinc/62/10/92/1257621092.db2.gz NHADAURKYNHUFD-AKHDSKFASA-N 2 1 331.504 2.386 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001184819502 1278590131 /nfs/dbraw/zinc/59/01/31/1278590131.db2.gz BPZLCQCQZVVICD-DLBZAZTESA-N 2 1 344.503 2.412 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186604982 1279174776 /nfs/dbraw/zinc/17/47/76/1279174776.db2.gz JXJNMOGGTVDHSO-SFHVURJKSA-N 2 1 333.520 2.302 20 30 EEEDMP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccccc2Cl)C1 ZINC001192162551 1281831368 /nfs/dbraw/zinc/83/13/68/1281831368.db2.gz QFOBRWARBCWWKR-KRWDZBQOSA-N 2 1 347.890 2.176 20 30 EEEDMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccccc2Cl)C1 ZINC001192162551 1281831372 /nfs/dbraw/zinc/83/13/72/1281831372.db2.gz QFOBRWARBCWWKR-KRWDZBQOSA-N 2 1 347.890 2.176 20 30 EEEDMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001192960518 1282246345 /nfs/dbraw/zinc/24/63/45/1282246345.db2.gz QOHRZAVJKQVIGW-IBGZPJMESA-N 2 1 345.462 2.052 20 30 EEEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197810452 1284822866 /nfs/dbraw/zinc/82/28/66/1284822866.db2.gz WQFIWOKEXDLSJI-LJQANCHMSA-N 2 1 327.472 2.237 20 30 EEEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197810452 1284822872 /nfs/dbraw/zinc/82/28/72/1284822872.db2.gz WQFIWOKEXDLSJI-LJQANCHMSA-N 2 1 327.472 2.237 20 30 EEEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197810452 1284822880 /nfs/dbraw/zinc/82/28/80/1284822880.db2.gz WQFIWOKEXDLSJI-LJQANCHMSA-N 2 1 327.472 2.237 20 30 EEEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197810452 1284822892 /nfs/dbraw/zinc/82/28/92/1284822892.db2.gz WQFIWOKEXDLSJI-LJQANCHMSA-N 2 1 327.472 2.237 20 30 EEEDMP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001198190909 1285029832 /nfs/dbraw/zinc/02/98/32/1285029832.db2.gz WJIZCABVPIXNCN-SFHVURJKSA-N 2 1 339.524 2.212 20 30 EEEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001198190909 1285029838 /nfs/dbraw/zinc/02/98/38/1285029838.db2.gz WJIZCABVPIXNCN-SFHVURJKSA-N 2 1 339.524 2.212 20 30 EEEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001198190909 1285029844 /nfs/dbraw/zinc/02/98/44/1285029844.db2.gz WJIZCABVPIXNCN-SFHVURJKSA-N 2 1 339.524 2.212 20 30 EEEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001198190909 1285029849 /nfs/dbraw/zinc/02/98/49/1285029849.db2.gz WJIZCABVPIXNCN-SFHVURJKSA-N 2 1 339.524 2.212 20 30 EEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073462330 1297097236 /nfs/dbraw/zinc/09/72/36/1297097236.db2.gz PTYZJADLZHLAQC-SFHVURJKSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073462330 1297097253 /nfs/dbraw/zinc/09/72/53/1297097253.db2.gz PTYZJADLZHLAQC-SFHVURJKSA-N 2 1 327.472 2.400 20 30 EEEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222016343 1299277645 /nfs/dbraw/zinc/27/76/45/1299277645.db2.gz CXIHQZJCRJCHJT-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222016343 1299277650 /nfs/dbraw/zinc/27/76/50/1299277650.db2.gz CXIHQZJCRJCHJT-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC/C=C\CC)CC1 ZINC001223495445 1300154526 /nfs/dbraw/zinc/15/45/26/1300154526.db2.gz PHNUEGKGEITUEE-VOFKWLDRSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC/C=C\CC)CC1 ZINC001223495445 1300154529 /nfs/dbraw/zinc/15/45/29/1300154529.db2.gz PHNUEGKGEITUEE-VOFKWLDRSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224169191 1300463379 /nfs/dbraw/zinc/46/33/79/1300463379.db2.gz JNFZZVKYFHYGDX-MOPGFXCFSA-N 2 1 331.504 2.199 20 30 EEEDMP C[NH+](C)CCCC(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001228879387 1302501965 /nfs/dbraw/zinc/50/19/65/1302501965.db2.gz MOWJMVQWALKZSA-UHFFFAOYSA-N 2 1 346.450 2.120 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001229653262 1302906789 /nfs/dbraw/zinc/90/67/89/1302906789.db2.gz WYMYZMYRXABIPU-QRVBRYPASA-N 2 1 327.472 2.330 20 30 EEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001103436053 1302958835 /nfs/dbraw/zinc/95/88/35/1302958835.db2.gz IQCVZVKORYEORO-MDZRGWNJSA-N 2 1 339.499 2.459 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001229859671 1302968812 /nfs/dbraw/zinc/96/88/12/1302968812.db2.gz AVNMLMVBKITDGU-RTBURBONSA-N 2 1 342.487 2.417 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001103631559 1303175950 /nfs/dbraw/zinc/17/59/50/1303175950.db2.gz SVDNKVKJRFINIX-YLJYHZDGSA-N 2 1 345.531 2.206 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120432201 1309534289 /nfs/dbraw/zinc/53/42/89/1309534289.db2.gz YVEUDKLRWCNYLT-RBUKOAKNSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120432201 1309534292 /nfs/dbraw/zinc/53/42/92/1309534292.db2.gz YVEUDKLRWCNYLT-RBUKOAKNSA-N 2 1 342.487 2.308 20 30 EEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001121288968 1309969753 /nfs/dbraw/zinc/96/97/53/1309969753.db2.gz MWXUVOSNSMQFPB-BMTWLGCMSA-N 2 1 329.488 2.044 20 30 EEEDMP N#C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3Cl)CC[NH2+]CC2)CCN1 ZINC001246381938 1310295408 /nfs/dbraw/zinc/29/54/08/1310295408.db2.gz UYXUXOKMVWEONG-CVEARBPZSA-N 2 1 332.879 2.238 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C ZINC001153868763 1316905379 /nfs/dbraw/zinc/90/53/79/1316905379.db2.gz ZVVWFTNKSMMXQC-QUCCMNQESA-N 2 1 341.499 2.419 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C ZINC001153868763 1316905381 /nfs/dbraw/zinc/90/53/81/1316905381.db2.gz ZVVWFTNKSMMXQC-QUCCMNQESA-N 2 1 341.499 2.419 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C ZINC001153868763 1316905383 /nfs/dbraw/zinc/90/53/83/1316905383.db2.gz ZVVWFTNKSMMXQC-QUCCMNQESA-N 2 1 341.499 2.419 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C ZINC001153868763 1316905384 /nfs/dbraw/zinc/90/53/84/1316905384.db2.gz ZVVWFTNKSMMXQC-QUCCMNQESA-N 2 1 341.499 2.419 20 30 EEEDMP C=C[C@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001253580727 1317886374 /nfs/dbraw/zinc/88/63/74/1317886374.db2.gz FFPARHHRJPNXNP-IBGZPJMESA-N 2 1 330.472 2.209 20 30 EEEDMP N#C[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663482 1318160955 /nfs/dbraw/zinc/16/09/55/1318160955.db2.gz CBTMYJVYKKKBEU-MTFMMBMASA-N 2 1 340.471 2.297 20 30 EEEDMP N#C[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663482 1318160958 /nfs/dbraw/zinc/16/09/58/1318160958.db2.gz CBTMYJVYKKKBEU-MTFMMBMASA-N 2 1 340.471 2.297 20 30 EEEDMP N#C[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663482 1318160961 /nfs/dbraw/zinc/16/09/61/1318160961.db2.gz CBTMYJVYKKKBEU-MTFMMBMASA-N 2 1 340.471 2.297 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157256815 1318527148 /nfs/dbraw/zinc/52/71/48/1318527148.db2.gz XMTDQCYHZISPSV-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001256066873 1318633609 /nfs/dbraw/zinc/63/36/09/1318633609.db2.gz VNJLGIBBSHZLHO-QGZVFWFLSA-N 2 1 327.472 2.108 20 30 EEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001158472559 1319257228 /nfs/dbraw/zinc/25/72/28/1319257228.db2.gz BNQZIQZKZOASBQ-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001158472559 1319257231 /nfs/dbraw/zinc/25/72/31/1319257231.db2.gz BNQZIQZKZOASBQ-IAGOWNOFSA-N 2 1 330.476 2.253 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001160209256 1320099798 /nfs/dbraw/zinc/09/97/98/1320099798.db2.gz FSHPGLBPOVJNBY-PMACEKPBSA-N 2 1 339.483 2.258 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001160209256 1320099802 /nfs/dbraw/zinc/09/98/02/1320099802.db2.gz FSHPGLBPOVJNBY-PMACEKPBSA-N 2 1 339.483 2.258 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353038 1320141769 /nfs/dbraw/zinc/14/17/69/1320141769.db2.gz NYORUEQOWZTYQW-IBGZPJMESA-N 2 1 331.504 2.126 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353038 1320141770 /nfs/dbraw/zinc/14/17/70/1320141770.db2.gz NYORUEQOWZTYQW-IBGZPJMESA-N 2 1 331.504 2.126 20 30 EEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353038 1320141771 /nfs/dbraw/zinc/14/17/71/1320141771.db2.gz NYORUEQOWZTYQW-IBGZPJMESA-N 2 1 331.504 2.126 20 30 EEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001160997376 1320348760 /nfs/dbraw/zinc/34/87/60/1320348760.db2.gz PMPFHAJALLNSQH-IBGZPJMESA-N 2 1 349.519 2.200 20 30 EEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160997376 1320348765 /nfs/dbraw/zinc/34/87/65/1320348765.db2.gz PMPFHAJALLNSQH-IBGZPJMESA-N 2 1 349.519 2.200 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160997376 1320348769 /nfs/dbraw/zinc/34/87/69/1320348769.db2.gz PMPFHAJALLNSQH-IBGZPJMESA-N 2 1 349.519 2.200 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001163006660 1321011908 /nfs/dbraw/zinc/01/19/08/1321011908.db2.gz IFUWKSJXKBVATP-FQEVSTJZSA-N 2 1 341.499 2.155 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C12CCC2 ZINC001203426453 1321878931 /nfs/dbraw/zinc/87/89/31/1321878931.db2.gz KRQFLPNEBJGMPP-RTBURBONSA-N 2 1 341.499 2.364 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467305 1321886539 /nfs/dbraw/zinc/88/65/39/1321886539.db2.gz ADQYTOJQALOIAD-DLBZAZTESA-N 2 1 342.487 2.437 20 30 EEEDMP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001262941208 1322399778 /nfs/dbraw/zinc/39/97/78/1322399778.db2.gz FSFZDXYGVAQRCH-KRWDZBQOSA-N 2 1 346.523 2.194 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001262941208 1322399780 /nfs/dbraw/zinc/39/97/80/1322399780.db2.gz FSFZDXYGVAQRCH-KRWDZBQOSA-N 2 1 346.523 2.194 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001262941208 1322399784 /nfs/dbraw/zinc/39/97/84/1322399784.db2.gz FSFZDXYGVAQRCH-KRWDZBQOSA-N 2 1 346.523 2.194 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001206794801 1323599393 /nfs/dbraw/zinc/59/93/93/1323599393.db2.gz TXQRAEBPAYPWDM-UHFFFAOYSA-N 2 1 341.499 2.208 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207946464 1324224978 /nfs/dbraw/zinc/22/49/78/1324224978.db2.gz FNRBXRQIALMWKX-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411053 1324481380 /nfs/dbraw/zinc/48/13/80/1324481380.db2.gz LJKSPGCMBLUWOO-KZNAEPCWSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411053 1324481383 /nfs/dbraw/zinc/48/13/83/1324481383.db2.gz LJKSPGCMBLUWOO-KZNAEPCWSA-N 2 1 339.524 2.257 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210645830 1325364827 /nfs/dbraw/zinc/36/48/27/1325364827.db2.gz UZHBKAIAWIKHOY-MOPGFXCFSA-N 2 1 327.472 2.283 20 30 EEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC001335986878 1336460966 /nfs/dbraw/zinc/46/09/66/1336460966.db2.gz PIZHGOAIEOIUNG-FQEVSTJZSA-N 2 1 344.499 2.429 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC001351344184 1337810531 /nfs/dbraw/zinc/81/05/31/1337810531.db2.gz NPIXNCKEILLHHG-UHFFFAOYSA-N 2 1 346.475 2.012 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001201094053 1368778932 /nfs/dbraw/zinc/77/89/32/1368778932.db2.gz MJRTWSYHZSPBBA-HKUYNNGSSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001201094053 1368778936 /nfs/dbraw/zinc/77/89/36/1368778936.db2.gz MJRTWSYHZSPBBA-HKUYNNGSSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114976038 1371467792 /nfs/dbraw/zinc/46/77/92/1371467792.db2.gz SCSPFFMPSZRRRH-NWGLXNPWSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114976038 1371467793 /nfs/dbraw/zinc/46/77/93/1371467793.db2.gz SCSPFFMPSZRRRH-NWGLXNPWSA-N 2 1 330.476 2.373 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000838622356 1372855988 /nfs/dbraw/zinc/85/59/88/1372855988.db2.gz GOYJHHBPLVOOME-UHFFFAOYSA-N 2 1 336.524 2.095 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NC2(C[NH2+]Cc3cccc(C#N)c3)CCCC2)C1 ZINC001367163862 1374109429 /nfs/dbraw/zinc/10/94/29/1374109429.db2.gz BSHYOSBLEDSLLO-SFHVURJKSA-N 2 1 340.471 2.029 20 30 EEEDMP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001369776553 1374643695 /nfs/dbraw/zinc/64/36/95/1374643695.db2.gz GTULIPFBHZFHFZ-UHFFFAOYSA-N 2 1 342.487 2.323 20 30 EEEDMP CC(C)[C@@H](C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001372897340 1376278247 /nfs/dbraw/zinc/27/82/47/1376278247.db2.gz TZAFAUPKKRTQRH-IBGZPJMESA-N 2 1 342.487 2.225 20 30 EEEDMP CC[C@H](C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1)[NH+](CC)CC ZINC001377993020 1379623680 /nfs/dbraw/zinc/62/36/80/1379623680.db2.gz NPSDXRPWVNQKGQ-LJQANCHMSA-N 2 1 342.487 2.227 20 30 EEEDMP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)CC[NH+]1CCCCC1 ZINC001379142168 1380574517 /nfs/dbraw/zinc/57/45/17/1380574517.db2.gz XSUSBSOWWGPUHK-UHFFFAOYSA-N 2 1 342.487 2.324 20 30 EEEDMP C[N@@H+](CC(=O)N[C@@H](C[NH2+]Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001379881773 1380929629 /nfs/dbraw/zinc/92/96/29/1380929629.db2.gz SUJJAZCUIOPGSV-IBGZPJMESA-N 2 1 340.471 2.027 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001380360185 1381200866 /nfs/dbraw/zinc/20/08/66/1381200866.db2.gz RBLXIDATTXZDKJ-KRWDZBQOSA-N 2 1 334.489 2.042 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001380360185 1381200871 /nfs/dbraw/zinc/20/08/71/1381200871.db2.gz RBLXIDATTXZDKJ-KRWDZBQOSA-N 2 1 334.489 2.042 20 30 EEEDMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC001381530783 1381639330 /nfs/dbraw/zinc/63/93/30/1381639330.db2.gz LLFMGDZJHDTSDZ-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001381530783 1381639335 /nfs/dbraw/zinc/63/93/35/1381639335.db2.gz LLFMGDZJHDTSDZ-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(CC)CC)C1 ZINC001752800786 1406421228 /nfs/dbraw/zinc/42/12/28/1406421228.db2.gz YQSIBIZRLLGIRM-MOPGFXCFSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(CC)CC)C1 ZINC001752800786 1406421233 /nfs/dbraw/zinc/42/12/33/1406421233.db2.gz YQSIBIZRLLGIRM-MOPGFXCFSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001393746970 1390526631 /nfs/dbraw/zinc/52/66/31/1390526631.db2.gz LAVPSPKQJKLTRJ-OCCSQVGLSA-N 2 1 346.313 2.063 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001393789263 1390543037 /nfs/dbraw/zinc/54/30/37/1390543037.db2.gz RDHWLUUFYBBDKO-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001393789263 1390543040 /nfs/dbraw/zinc/54/30/40/1390543040.db2.gz RDHWLUUFYBBDKO-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001393789263 1390543043 /nfs/dbraw/zinc/54/30/43/1390543043.db2.gz RDHWLUUFYBBDKO-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1)C1CCC1 ZINC001397121488 1391093251 /nfs/dbraw/zinc/09/32/51/1391093251.db2.gz JQUAYZFXXOTONB-RZDIXWSQSA-N 2 1 340.471 2.027 20 30 EEEDMP CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)C12CCC[NH+]1CCC2 ZINC001401430088 1397285018 /nfs/dbraw/zinc/28/50/18/1397285018.db2.gz JFMXZUWEDIKDNE-UHFFFAOYSA-N 2 1 340.471 2.077 20 30 EEEDMP C=C(Br)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001425969649 1401823636 /nfs/dbraw/zinc/82/36/36/1401823636.db2.gz PVAUIQOSENRTDE-KGLIPLIRSA-N 2 1 346.313 2.111 20 30 EEEDMP CC#CC[NH2+][C@@H](CCN(C)C(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001755351099 1407351843 /nfs/dbraw/zinc/35/18/43/1407351843.db2.gz RAWAZABWRNZLLJ-KRWDZBQOSA-N 2 1 332.492 2.493 20 30 EEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001755533412 1407599412 /nfs/dbraw/zinc/59/94/12/1407599412.db2.gz QOKJRNQXNTZIQM-UHFFFAOYSA-N 2 1 341.499 2.350 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCCCC)C(C)(C)C1 ZINC001755757437 1407815734 /nfs/dbraw/zinc/81/57/34/1407815734.db2.gz NABAZXKCDIDDPL-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCCCC)C(C)(C)C1 ZINC001755757437 1407815737 /nfs/dbraw/zinc/81/57/37/1407815737.db2.gz NABAZXKCDIDDPL-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001111904895 1410859895 /nfs/dbraw/zinc/85/98/95/1410859895.db2.gz QIDZJKKOJGPKJR-ICSRJNTNSA-N 2 1 333.520 2.493 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001168030983 782423775 /nfs/dbraw/zinc/42/37/75/782423775.db2.gz WMDKGAGLXJYXAU-OALUTQOASA-N 2 1 340.471 2.171 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461827 760942049 /nfs/dbraw/zinc/94/20/49/760942049.db2.gz SCSHJHNETNQGDS-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461827 760942054 /nfs/dbraw/zinc/94/20/54/760942054.db2.gz SCSHJHNETNQGDS-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461827 760942057 /nfs/dbraw/zinc/94/20/57/760942057.db2.gz SCSHJHNETNQGDS-QUCCMNQESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CC=C)[C@H]3C2(C)C)CC1 ZINC001087317318 761613534 /nfs/dbraw/zinc/61/35/34/761613534.db2.gz GRCCSJHQQZMVOB-IPMKNSEASA-N 2 1 343.515 2.123 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089408980 768832792 /nfs/dbraw/zinc/83/27/92/768832792.db2.gz JXCLAAJMOFPXHE-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089408980 768832804 /nfs/dbraw/zinc/83/28/04/768832804.db2.gz JXCLAAJMOFPXHE-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089408980 768832815 /nfs/dbraw/zinc/83/28/15/768832815.db2.gz JXCLAAJMOFPXHE-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089408980 768832828 /nfs/dbraw/zinc/83/28/28/768832828.db2.gz JXCLAAJMOFPXHE-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445849 769293486 /nfs/dbraw/zinc/29/34/86/769293486.db2.gz NBKPDJLZGOONMN-ROUUACIJSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446351 769309566 /nfs/dbraw/zinc/30/95/66/769309566.db2.gz WGASMCDQYIKLBG-RTBURBONSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040849402 770334532 /nfs/dbraw/zinc/33/45/32/770334532.db2.gz QYQXSBQRMJRXTK-HNNXBMFYSA-N 2 1 339.911 2.395 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001088084745 782883633 /nfs/dbraw/zinc/88/36/33/782883633.db2.gz CTKQGXBTDRDALW-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001088084745 782883638 /nfs/dbraw/zinc/88/36/38/782883638.db2.gz CTKQGXBTDRDALW-KURKYZTESA-N 2 1 342.487 2.110 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@H](C)C2)CC1 ZINC000948070328 773436187 /nfs/dbraw/zinc/43/61/87/773436187.db2.gz ONFIZXFIZREFMD-MJGOQNOKSA-N 2 1 331.504 2.267 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980138967 773928765 /nfs/dbraw/zinc/92/87/65/773928765.db2.gz IEDJFCXNNLKGFE-KSZLIROESA-N 2 1 336.439 2.188 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980142761 773971941 /nfs/dbraw/zinc/97/19/41/773971941.db2.gz MBMRVYUZPSZQRI-OKZBNKHCSA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980142761 773971946 /nfs/dbraw/zinc/97/19/46/773971946.db2.gz MBMRVYUZPSZQRI-OKZBNKHCSA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980236219 774139832 /nfs/dbraw/zinc/13/98/32/774139832.db2.gz BXJXSHHKPWLAOX-OKZBNKHCSA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980236219 774139834 /nfs/dbraw/zinc/13/98/34/774139834.db2.gz BXJXSHHKPWLAOX-OKZBNKHCSA-N 2 1 330.476 2.374 20 30 EEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCc3sccc3C2)C1 ZINC000980464545 774664363 /nfs/dbraw/zinc/66/43/63/774664363.db2.gz COBMUGSENHIDBP-INIZCTEOSA-N 2 1 333.501 2.215 20 30 EEEDMP C=CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089820975 776965048 /nfs/dbraw/zinc/96/50/48/776965048.db2.gz PZJXTMKTJNOFRJ-NQYYFHDYSA-N 2 1 331.504 2.216 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820975 776965055 /nfs/dbraw/zinc/96/50/55/776965055.db2.gz PZJXTMKTJNOFRJ-NQYYFHDYSA-N 2 1 331.504 2.216 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820975 776965062 /nfs/dbraw/zinc/96/50/62/776965062.db2.gz PZJXTMKTJNOFRJ-NQYYFHDYSA-N 2 1 331.504 2.216 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093729 777407652 /nfs/dbraw/zinc/40/76/52/777407652.db2.gz PFEPSUXYCZXERS-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093729 777407657 /nfs/dbraw/zinc/40/76/57/777407657.db2.gz PFEPSUXYCZXERS-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093729 777407663 /nfs/dbraw/zinc/40/76/63/777407663.db2.gz PFEPSUXYCZXERS-RBUKOAKNSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](C)CC)C2 ZINC000981819362 778262890 /nfs/dbraw/zinc/26/28/90/778262890.db2.gz ZGDHRLOKHGARGV-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](C[C@@H](C)CC)C2 ZINC000981819362 778262895 /nfs/dbraw/zinc/26/28/95/778262895.db2.gz ZGDHRLOKHGARGV-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](C[C@@H](C)CC)C2 ZINC000981819362 778262902 /nfs/dbraw/zinc/26/29/02/778262902.db2.gz ZGDHRLOKHGARGV-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](C[C@@H](C)CC)C2 ZINC000981819362 778262907 /nfs/dbraw/zinc/26/29/07/778262907.db2.gz ZGDHRLOKHGARGV-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC000982012702 778862452 /nfs/dbraw/zinc/86/24/52/778862452.db2.gz DYEHGJRLXLKASF-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000982012702 778862456 /nfs/dbraw/zinc/86/24/56/778862456.db2.gz DYEHGJRLXLKASF-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000982012702 778862462 /nfs/dbraw/zinc/86/24/62/778862462.db2.gz DYEHGJRLXLKASF-FQEVSTJZSA-N 2 1 349.494 2.147 20 30 EEEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052213 778998728 /nfs/dbraw/zinc/99/87/28/778998728.db2.gz DKFDBXKAWRSYKS-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052213 778998734 /nfs/dbraw/zinc/99/87/34/778998734.db2.gz DKFDBXKAWRSYKS-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052213 778998740 /nfs/dbraw/zinc/99/87/40/778998740.db2.gz DKFDBXKAWRSYKS-SFHVURJKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982117039 779127895 /nfs/dbraw/zinc/12/78/95/779127895.db2.gz XWMDWNCMAXIPMN-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCC(C)C)C3)CC1 ZINC000982162251 779180699 /nfs/dbraw/zinc/18/06/99/779180699.db2.gz LJEJHWMBRCWZRN-UHFFFAOYSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942101089 781723261 /nfs/dbraw/zinc/72/32/61/781723261.db2.gz QJPMVSJHQJPJPE-HOCLYGCPSA-N 2 1 333.501 2.273 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578667 781878195 /nfs/dbraw/zinc/87/81/95/781878195.db2.gz IQUCGJRPMLMFMT-CAOSSQGBSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578667 781878203 /nfs/dbraw/zinc/87/82/03/781878203.db2.gz IQUCGJRPMLMFMT-CAOSSQGBSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578667 781878213 /nfs/dbraw/zinc/87/82/13/781878213.db2.gz IQUCGJRPMLMFMT-CAOSSQGBSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578667 781878222 /nfs/dbraw/zinc/87/82/22/781878222.db2.gz IQUCGJRPMLMFMT-CAOSSQGBSA-N 2 1 327.900 2.438 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088328966 783522933 /nfs/dbraw/zinc/52/29/33/783522933.db2.gz KMBIJRPKKXLAGS-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088328966 783522942 /nfs/dbraw/zinc/52/29/42/783522942.db2.gz KMBIJRPKKXLAGS-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035183976 784019154 /nfs/dbraw/zinc/01/91/54/784019154.db2.gz CEOQYOKKJJGWOK-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035183976 784019160 /nfs/dbraw/zinc/01/91/60/784019160.db2.gz CEOQYOKKJJGWOK-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035183976 784019163 /nfs/dbraw/zinc/01/91/63/784019163.db2.gz CEOQYOKKJJGWOK-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035257274 784206793 /nfs/dbraw/zinc/20/67/93/784206793.db2.gz VGCQIHNYFSDKOZ-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035705397 784986921 /nfs/dbraw/zinc/98/69/21/784986921.db2.gz AWXRYCKPRRFZKK-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001171235305 790255648 /nfs/dbraw/zinc/25/56/48/790255648.db2.gz GWPUYTQNJLZJCX-AEFFLSMTSA-N 2 1 337.508 2.080 20 30 EEEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001146334612 791179280 /nfs/dbraw/zinc/17/92/80/791179280.db2.gz YGNZCDQQDFEKDF-GJZGRUSLSA-N 2 1 339.443 2.136 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@H]12 ZINC000991879981 791227194 /nfs/dbraw/zinc/22/71/94/791227194.db2.gz BEYHRFFCQOPZFF-HKUYNNGSSA-N 2 1 328.460 2.061 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@H]12 ZINC000991879981 791227203 /nfs/dbraw/zinc/22/72/03/791227203.db2.gz BEYHRFFCQOPZFF-HKUYNNGSSA-N 2 1 328.460 2.061 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997830899 791246728 /nfs/dbraw/zinc/24/67/28/791246728.db2.gz DGYUDGUCSZVVSI-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997830899 791246738 /nfs/dbraw/zinc/24/67/38/791246738.db2.gz DGYUDGUCSZVVSI-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001146593104 791361761 /nfs/dbraw/zinc/36/17/61/791361761.db2.gz OANCNCJLFZTHQG-GJZGRUSLSA-N 2 1 348.466 2.410 20 30 EEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001147716968 791923572 /nfs/dbraw/zinc/92/35/72/791923572.db2.gz PHQJSHIFEQFKNL-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147716968 791923576 /nfs/dbraw/zinc/92/35/76/791923576.db2.gz PHQJSHIFEQFKNL-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147716968 791923581 /nfs/dbraw/zinc/92/35/81/791923581.db2.gz PHQJSHIFEQFKNL-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672785 792117890 /nfs/dbraw/zinc/11/78/90/792117890.db2.gz UITCGMJNLPYPBP-XLIONFOSSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948055450 793424240 /nfs/dbraw/zinc/42/42/40/793424240.db2.gz CGMRRKHYUNBGRU-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(C)cc2)C1 ZINC000998923075 793566788 /nfs/dbraw/zinc/56/67/88/793566788.db2.gz NMHWASHPGLPCIR-MHJFOBGBSA-N 2 1 339.483 2.172 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(C)cc2)C1 ZINC000998923075 793566795 /nfs/dbraw/zinc/56/67/95/793566795.db2.gz NMHWASHPGLPCIR-MHJFOBGBSA-N 2 1 339.483 2.172 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304918 793781725 /nfs/dbraw/zinc/78/17/25/793781725.db2.gz RSFBQMAHPVQLPX-DYXWJJEUSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304918 793781727 /nfs/dbraw/zinc/78/17/27/793781727.db2.gz RSFBQMAHPVQLPX-DYXWJJEUSA-N 2 1 339.483 2.093 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992364983 793821840 /nfs/dbraw/zinc/82/18/40/793821840.db2.gz BNSOKQJIANWQNG-UYAOXDASSA-N 2 1 331.504 2.243 20 30 EEEDMP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261661354 794093933 /nfs/dbraw/zinc/09/39/33/794093933.db2.gz AUPAXRXHZWBZCH-IAAVTCLWSA-N 2 1 326.488 2.265 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966205 806306417 /nfs/dbraw/zinc/30/64/17/806306417.db2.gz HSOAPMHXMKPUSQ-JKBKZWBZSA-N 2 1 339.483 2.208 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966205 806306427 /nfs/dbraw/zinc/30/64/27/806306427.db2.gz HSOAPMHXMKPUSQ-JKBKZWBZSA-N 2 1 339.483 2.208 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001079287033 794556939 /nfs/dbraw/zinc/55/69/39/794556939.db2.gz LEKYPNIGZBEMDA-QXAKKESOSA-N 2 1 345.462 2.380 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036748225 794761702 /nfs/dbraw/zinc/76/17/02/794761702.db2.gz ZMFMOKXQPBNPHR-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001093363288 795090908 /nfs/dbraw/zinc/09/09/08/795090908.db2.gz YMNDYCLLPRKKTM-QZTJIDSGSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093363288 795090913 /nfs/dbraw/zinc/09/09/13/795090913.db2.gz YMNDYCLLPRKKTM-QZTJIDSGSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093363288 795090917 /nfs/dbraw/zinc/09/09/17/795090917.db2.gz YMNDYCLLPRKKTM-QZTJIDSGSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433768 796227460 /nfs/dbraw/zinc/22/74/60/796227460.db2.gz BPOSAHWUOBLEJM-FRQCXROJSA-N 2 1 328.460 2.307 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433768 796227464 /nfs/dbraw/zinc/22/74/64/796227464.db2.gz BPOSAHWUOBLEJM-FRQCXROJSA-N 2 1 328.460 2.307 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434231 796227634 /nfs/dbraw/zinc/22/76/34/796227634.db2.gz YMWHWIPQELQYHY-QKNQBKEWSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434231 796227641 /nfs/dbraw/zinc/22/76/41/796227641.db2.gz YMWHWIPQELQYHY-QKNQBKEWSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434231 796227647 /nfs/dbraw/zinc/22/76/47/796227647.db2.gz YMWHWIPQELQYHY-QKNQBKEWSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203453197 796299836 /nfs/dbraw/zinc/29/98/36/796299836.db2.gz RNDQGINYDJVGBR-JKSUJKDBSA-N 2 1 328.460 2.047 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993818423 797047402 /nfs/dbraw/zinc/04/74/02/797047402.db2.gz FTIJAGRTJPSBKW-LPHOPBHVSA-N 2 1 327.472 2.007 20 30 EEEDMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968400 797174537 /nfs/dbraw/zinc/17/45/37/797174537.db2.gz LIMGRKZSLWEXCK-FJBKBRRZSA-N 2 1 336.480 2.480 20 30 EEEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978431 797179465 /nfs/dbraw/zinc/17/94/65/797179465.db2.gz MAJVNSBQVNKCCB-FXUDXRNXSA-N 2 1 336.480 2.208 20 30 EEEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978431 797179472 /nfs/dbraw/zinc/17/94/72/797179472.db2.gz MAJVNSBQVNKCCB-FXUDXRNXSA-N 2 1 336.480 2.208 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994118537 797301440 /nfs/dbraw/zinc/30/14/40/797301440.db2.gz VRILIUJDJPLRJF-PBHICJAKSA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994118537 797301447 /nfs/dbraw/zinc/30/14/47/797301447.db2.gz VRILIUJDJPLRJF-PBHICJAKSA-N 2 1 325.416 2.036 20 30 EEEDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429280 797453806 /nfs/dbraw/zinc/45/38/06/797453806.db2.gz VAWOWGXALRXVQB-HNAYVOBHSA-N 2 1 340.471 2.093 20 30 EEEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429280 797453809 /nfs/dbraw/zinc/45/38/09/797453809.db2.gz VAWOWGXALRXVQB-HNAYVOBHSA-N 2 1 340.471 2.093 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001082382814 797485676 /nfs/dbraw/zinc/48/56/76/797485676.db2.gz VPQHTJPVKJFAEF-RTBURBONSA-N 2 1 345.487 2.143 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001082699657 797651091 /nfs/dbraw/zinc/65/10/91/797651091.db2.gz NRHPTXKGDKZOAE-FVQBIDKESA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112567591 806615029 /nfs/dbraw/zinc/61/50/29/806615029.db2.gz XTGYZGLYVWSFDW-RDJZCZTQSA-N 2 1 327.900 2.299 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001108051322 798651021 /nfs/dbraw/zinc/65/10/21/798651021.db2.gz ISZWDWRRXVZGTF-IBGZPJMESA-N 2 1 342.443 2.121 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199581 800237382 /nfs/dbraw/zinc/23/73/82/800237382.db2.gz SEGQSGLWMJJFTP-QXAKKESOSA-N 2 1 331.504 2.291 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181518025 800830898 /nfs/dbraw/zinc/83/08/98/800830898.db2.gz NDZSCFXXZVCIKD-FUHIMQAGSA-N 2 1 344.503 2.494 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598564 800866080 /nfs/dbraw/zinc/86/60/80/800866080.db2.gz WFTWBPVSYIEPCQ-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598564 800866087 /nfs/dbraw/zinc/86/60/87/800866087.db2.gz WFTWBPVSYIEPCQ-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598564 800866096 /nfs/dbraw/zinc/86/60/96/800866096.db2.gz WFTWBPVSYIEPCQ-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598564 800866100 /nfs/dbraw/zinc/86/61/00/800866100.db2.gz WFTWBPVSYIEPCQ-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001085646981 800959012 /nfs/dbraw/zinc/95/90/12/800959012.db2.gz XOVRGUCVIKOZJR-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085646981 800959026 /nfs/dbraw/zinc/95/90/26/800959026.db2.gz XOVRGUCVIKOZJR-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001085646981 800959030 /nfs/dbraw/zinc/95/90/30/800959030.db2.gz XOVRGUCVIKOZJR-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCC1 ZINC001085646981 800959034 /nfs/dbraw/zinc/95/90/34/800959034.db2.gz XOVRGUCVIKOZJR-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCC1 ZINC001085646981 800959039 /nfs/dbraw/zinc/95/90/39/800959039.db2.gz XOVRGUCVIKOZJR-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001085646455 800966160 /nfs/dbraw/zinc/96/61/60/800966160.db2.gz CFWACVWHJLQNMH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001085646455 800966163 /nfs/dbraw/zinc/96/61/63/800966163.db2.gz CFWACVWHJLQNMH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCC1 ZINC001085646455 800966166 /nfs/dbraw/zinc/96/61/66/800966166.db2.gz CFWACVWHJLQNMH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCC1 ZINC001085646455 800966169 /nfs/dbraw/zinc/96/61/69/800966169.db2.gz CFWACVWHJLQNMH-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832307 801380034 /nfs/dbraw/zinc/38/00/34/801380034.db2.gz BJUDVSACEPDMSM-QRVBRYPASA-N 2 1 327.472 2.051 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832307 801380044 /nfs/dbraw/zinc/38/00/44/801380044.db2.gz BJUDVSACEPDMSM-QRVBRYPASA-N 2 1 327.472 2.051 20 30 EEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085832307 801380054 /nfs/dbraw/zinc/38/00/54/801380054.db2.gz BJUDVSACEPDMSM-QRVBRYPASA-N 2 1 327.472 2.051 20 30 EEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832307 801380062 /nfs/dbraw/zinc/38/00/62/801380062.db2.gz BJUDVSACEPDMSM-QRVBRYPASA-N 2 1 327.472 2.051 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183517241 801623799 /nfs/dbraw/zinc/62/37/99/801623799.db2.gz WUPZFEABOYFRQU-YFVAEKQCSA-N 2 1 341.499 2.387 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004443571 802055926 /nfs/dbraw/zinc/05/59/26/802055926.db2.gz SEAAQEZLJNCJPS-QRQLOZEOSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004443571 802055931 /nfs/dbraw/zinc/05/59/31/802055931.db2.gz SEAAQEZLJNCJPS-QRQLOZEOSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004443571 802055937 /nfs/dbraw/zinc/05/59/37/802055937.db2.gz SEAAQEZLJNCJPS-QRQLOZEOSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004450531 802071692 /nfs/dbraw/zinc/07/16/92/802071692.db2.gz MUOVBRKOPHMONA-BHIYHBOVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004450531 802071697 /nfs/dbraw/zinc/07/16/97/802071697.db2.gz MUOVBRKOPHMONA-BHIYHBOVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004450531 802071701 /nfs/dbraw/zinc/07/17/01/802071701.db2.gz MUOVBRKOPHMONA-BHIYHBOVSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001004522722 802286019 /nfs/dbraw/zinc/28/60/19/802286019.db2.gz OPGKCXNQYHBVTE-IHPCNDPISA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004522722 802286022 /nfs/dbraw/zinc/28/60/22/802286022.db2.gz OPGKCXNQYHBVTE-IHPCNDPISA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004522722 802286027 /nfs/dbraw/zinc/28/60/27/802286027.db2.gz OPGKCXNQYHBVTE-IHPCNDPISA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCC)C[C@H]2CC1 ZINC000946628555 802371518 /nfs/dbraw/zinc/37/15/18/802371518.db2.gz XTJGDFIWCCUBHQ-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCC)C[C@H]2CC1 ZINC000946628555 802371528 /nfs/dbraw/zinc/37/15/28/802371528.db2.gz XTJGDFIWCCUBHQ-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCC)C[C@H]2CC1 ZINC000946628555 802371533 /nfs/dbraw/zinc/37/15/33/802371533.db2.gz XTJGDFIWCCUBHQ-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCC)C[C@H]2CC1 ZINC000946628555 802371540 /nfs/dbraw/zinc/37/15/40/802371540.db2.gz XTJGDFIWCCUBHQ-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631683 802428461 /nfs/dbraw/zinc/42/84/61/802428461.db2.gz TYOIXBZLZIYZON-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631683 802428467 /nfs/dbraw/zinc/42/84/67/802428467.db2.gz TYOIXBZLZIYZON-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631683 802428472 /nfs/dbraw/zinc/42/84/72/802428472.db2.gz TYOIXBZLZIYZON-CEXWTWQISA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001108258013 802597727 /nfs/dbraw/zinc/59/77/27/802597727.db2.gz OVJXYZSDOSSBJT-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001108258013 802597732 /nfs/dbraw/zinc/59/77/32/802597732.db2.gz OVJXYZSDOSSBJT-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001108258013 802597736 /nfs/dbraw/zinc/59/77/36/802597736.db2.gz OVJXYZSDOSSBJT-HKUYNNGSSA-N 2 1 337.508 2.033 20 30 EEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082706 802957911 /nfs/dbraw/zinc/95/79/11/802957911.db2.gz HATNCVUIWMADSH-ROUUACIJSA-N 2 1 341.540 2.240 20 30 EEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082706 802957913 /nfs/dbraw/zinc/95/79/13/802957913.db2.gz HATNCVUIWMADSH-ROUUACIJSA-N 2 1 341.540 2.240 20 30 EEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100082706 802957918 /nfs/dbraw/zinc/95/79/18/802957918.db2.gz HATNCVUIWMADSH-ROUUACIJSA-N 2 1 341.540 2.240 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCO[C@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001108354986 803359157 /nfs/dbraw/zinc/35/91/57/803359157.db2.gz SNZMIGWHOIZGHK-IEBWSBKVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354986 803359162 /nfs/dbraw/zinc/35/91/62/803359162.db2.gz SNZMIGWHOIZGHK-IEBWSBKVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354986 803359169 /nfs/dbraw/zinc/35/91/69/803359169.db2.gz SNZMIGWHOIZGHK-IEBWSBKVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001108421695 803533246 /nfs/dbraw/zinc/53/32/46/803533246.db2.gz SQXSPMHTCWCAIR-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421695 803533250 /nfs/dbraw/zinc/53/32/50/803533250.db2.gz SQXSPMHTCWCAIR-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421695 803533255 /nfs/dbraw/zinc/53/32/55/803533255.db2.gz SQXSPMHTCWCAIR-HKUYNNGSSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001108716073 804385115 /nfs/dbraw/zinc/38/51/15/804385115.db2.gz GHWKMXWMLMEISL-JYJNAYRXSA-N 2 1 346.475 2.285 20 30 EEEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001109114134 804974406 /nfs/dbraw/zinc/97/44/06/804974406.db2.gz ZAKGALUKXBZIHR-OWSLCNJRSA-N 2 1 337.508 2.009 20 30 EEEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001109114134 804974411 /nfs/dbraw/zinc/97/44/11/804974411.db2.gz ZAKGALUKXBZIHR-OWSLCNJRSA-N 2 1 337.508 2.009 20 30 EEEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001109114134 804974413 /nfs/dbraw/zinc/97/44/13/804974413.db2.gz ZAKGALUKXBZIHR-OWSLCNJRSA-N 2 1 337.508 2.009 20 30 EEEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001109114134 804974416 /nfs/dbraw/zinc/97/44/16/804974416.db2.gz ZAKGALUKXBZIHR-OWSLCNJRSA-N 2 1 337.508 2.009 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609400 810020707 /nfs/dbraw/zinc/02/07/07/810020707.db2.gz DPCOMCHNKOVOKC-YSIASYRMSA-N 2 1 339.483 2.078 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609400 810020713 /nfs/dbraw/zinc/02/07/13/810020713.db2.gz DPCOMCHNKOVOKC-YSIASYRMSA-N 2 1 339.483 2.078 20 30 EEEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001086609400 810020717 /nfs/dbraw/zinc/02/07/17/810020717.db2.gz DPCOMCHNKOVOKC-YSIASYRMSA-N 2 1 339.483 2.078 20 30 EEEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001086609400 810020722 /nfs/dbraw/zinc/02/07/22/810020722.db2.gz DPCOMCHNKOVOKC-YSIASYRMSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001129771328 810994612 /nfs/dbraw/zinc/99/46/12/810994612.db2.gz VXJMFPPCHAEBOX-MSOLQXFVSA-N 2 1 345.874 2.131 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001129771328 810994616 /nfs/dbraw/zinc/99/46/16/810994616.db2.gz VXJMFPPCHAEBOX-MSOLQXFVSA-N 2 1 345.874 2.131 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000807493142 812246103 /nfs/dbraw/zinc/24/61/03/812246103.db2.gz HAKRZUKLXAOYGO-NEWSRXKRSA-N 2 1 327.472 2.200 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000807493142 812246106 /nfs/dbraw/zinc/24/61/06/812246106.db2.gz HAKRZUKLXAOYGO-NEWSRXKRSA-N 2 1 327.472 2.200 20 30 EEEDMP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438814935 1091433180 /nfs/dbraw/zinc/43/31/80/1091433180.db2.gz GDZOIXVEKIWFKE-QZTJIDSGSA-N 2 1 346.450 2.022 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001480554900 1100394204 /nfs/dbraw/zinc/39/42/04/1100394204.db2.gz OFGGIJGNWORQDG-ZDUSSCGKSA-N 2 1 345.472 2.199 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000152931982 539469827 /nfs/dbraw/zinc/46/98/27/539469827.db2.gz SDECWSBSHPWVNI-OAHLLOKOSA-N 2 1 326.448 2.353 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105396690 781929460 /nfs/dbraw/zinc/92/94/60/781929460.db2.gz SLPSGYIZLCPXPK-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396690 781929466 /nfs/dbraw/zinc/92/94/66/781929466.db2.gz SLPSGYIZLCPXPK-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396690 781929477 /nfs/dbraw/zinc/92/94/77/781929477.db2.gz SLPSGYIZLCPXPK-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105396792 781943664 /nfs/dbraw/zinc/94/36/64/781943664.db2.gz WHZZJJRTQSVGJI-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396792 781943672 /nfs/dbraw/zinc/94/36/72/781943672.db2.gz WHZZJJRTQSVGJI-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105396792 781943680 /nfs/dbraw/zinc/94/36/80/781943680.db2.gz WHZZJJRTQSVGJI-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C ZINC000336879078 465074893 /nfs/dbraw/zinc/07/48/93/465074893.db2.gz LCUACGSMEYKWMK-BPQIPLTHSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C ZINC000336879078 465074899 /nfs/dbraw/zinc/07/48/99/465074899.db2.gz LCUACGSMEYKWMK-BPQIPLTHSA-N 2 1 331.460 2.103 20 30 EEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C ZINC000336879078 465074903 /nfs/dbraw/zinc/07/49/03/465074903.db2.gz LCUACGSMEYKWMK-BPQIPLTHSA-N 2 1 331.460 2.103 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000139057920 463317811 /nfs/dbraw/zinc/31/78/11/463317811.db2.gz NFXPBTNREBLDSS-SJLPKXTDSA-N 2 1 334.508 2.153 20 30 EEEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150752248 463420427 /nfs/dbraw/zinc/42/04/27/463420427.db2.gz ITHXJGJFFXDINI-KRWDZBQOSA-N 2 1 326.444 2.305 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000171736788 463916656 /nfs/dbraw/zinc/91/66/56/463916656.db2.gz CSDBBLRSRFEZJU-LJQANCHMSA-N 2 1 342.487 2.335 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000171736788 463916663 /nfs/dbraw/zinc/91/66/63/463916663.db2.gz CSDBBLRSRFEZJU-LJQANCHMSA-N 2 1 342.487 2.335 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)CC1 ZINC000195104382 463991315 /nfs/dbraw/zinc/99/13/15/463991315.db2.gz DZSPANXQKJMVAR-IBGZPJMESA-N 2 1 337.467 2.343 20 30 EEEDMP C=CCOCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000293578336 464412237 /nfs/dbraw/zinc/41/22/37/464412237.db2.gz NMCNOROPTOPBAL-HXUWFJFHSA-N 2 1 329.488 2.081 20 30 EEEDMP C=CCOCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000293578336 464412246 /nfs/dbraw/zinc/41/22/46/464412246.db2.gz NMCNOROPTOPBAL-HXUWFJFHSA-N 2 1 329.488 2.081 20 30 EEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000189996373 464581453 /nfs/dbraw/zinc/58/14/53/464581453.db2.gz UAYBUTHJHMJZPR-UXPWSPDFSA-N 2 1 345.487 2.318 20 30 EEEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176092759 464696729 /nfs/dbraw/zinc/69/67/29/464696729.db2.gz GJOVUILAYGROPR-UHFFFAOYSA-N 2 1 347.438 2.187 20 30 EEEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176092759 464696736 /nfs/dbraw/zinc/69/67/36/464696736.db2.gz GJOVUILAYGROPR-UHFFFAOYSA-N 2 1 347.438 2.187 20 30 EEEDMP CC(C)C[N@@H+]1CCC[C@H](C[NH+]=C([O-])NC[C@@H]2CCc3nccn3C2)C1 ZINC000329910786 465471163 /nfs/dbraw/zinc/47/11/63/465471163.db2.gz NNAKVKTVEMKRLH-SJORKVTESA-N 2 1 347.507 2.317 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H](C[NH+]=C([O-])NC[C@@H]2CCc3nccn3C2)C1 ZINC000329910786 465471171 /nfs/dbraw/zinc/47/11/71/465471171.db2.gz NNAKVKTVEMKRLH-SJORKVTESA-N 2 1 347.507 2.317 20 30 EEEDMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329910786 465471177 /nfs/dbraw/zinc/47/11/77/465471177.db2.gz NNAKVKTVEMKRLH-SJORKVTESA-N 2 1 347.507 2.317 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329910786 465471184 /nfs/dbraw/zinc/47/11/84/465471184.db2.gz NNAKVKTVEMKRLH-SJORKVTESA-N 2 1 347.507 2.317 20 30 EEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C(C)C ZINC000343250571 465493784 /nfs/dbraw/zinc/49/37/84/465493784.db2.gz ZYYBYHWEQBPCKT-UAFMIMERSA-N 2 1 335.536 2.432 20 30 EEEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000330250411 465587376 /nfs/dbraw/zinc/58/73/76/465587376.db2.gz HDZOBRJMUGUIGQ-OAHLLOKOSA-N 2 1 331.464 2.062 20 30 EEEDMP CCNC(NCC1CC[NH+](Cc2csc(CC)n2)CC1)=[NH+]CC ZINC000304081576 466260415 /nfs/dbraw/zinc/26/04/15/466260415.db2.gz YTCCPCQFBRQVDR-UHFFFAOYSA-N 2 1 337.537 2.493 20 30 EEEDMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1cccs1 ZINC000424138995 466988428 /nfs/dbraw/zinc/98/84/28/466988428.db2.gz DRDHGUREORMWRO-IJEWVQPXSA-N 2 1 334.489 2.268 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C#N)s2)CC1 ZINC000530908008 468016989 /nfs/dbraw/zinc/01/69/89/468016989.db2.gz OFTRZVYZSZNDIH-UHFFFAOYSA-N 2 1 327.413 2.019 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600721425 468634230 /nfs/dbraw/zinc/63/42/30/468634230.db2.gz MGGXJLUHPCDAGK-FUHWJXTLSA-N 2 1 331.460 2.008 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000571342252 468774054 /nfs/dbraw/zinc/77/40/54/468774054.db2.gz YQKFGFXQHFCFQB-GOSISDBHSA-N 2 1 327.472 2.275 20 30 EEEDMP CC[C@H](C#N)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000593510704 469010650 /nfs/dbraw/zinc/01/06/50/469010650.db2.gz WRSNMMFRYXEGOA-QGZVFWFLSA-N 2 1 334.508 2.191 20 30 EEEDMP C[N@H+](C[C@@H](O)C[NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CC1 ZINC000573596496 469168681 /nfs/dbraw/zinc/16/86/81/469168681.db2.gz NOHFZYBMADCRLQ-AVAKVYKDSA-N 2 1 343.471 2.293 20 30 EEEDMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CC1 ZINC000573596496 469168687 /nfs/dbraw/zinc/16/86/87/469168687.db2.gz NOHFZYBMADCRLQ-AVAKVYKDSA-N 2 1 343.471 2.293 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000730095706 576713847 /nfs/dbraw/zinc/71/38/47/576713847.db2.gz GFJLTEVEYJSRDI-FQEVSTJZSA-N 2 1 339.483 2.386 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000730095706 576713849 /nfs/dbraw/zinc/71/38/49/576713849.db2.gz GFJLTEVEYJSRDI-FQEVSTJZSA-N 2 1 339.483 2.386 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000773450551 577343892 /nfs/dbraw/zinc/34/38/92/577343892.db2.gz QZRJBIRSJQJRKK-PMACEKPBSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000773450551 577343893 /nfs/dbraw/zinc/34/38/93/577343893.db2.gz QZRJBIRSJQJRKK-PMACEKPBSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000773450551 577343894 /nfs/dbraw/zinc/34/38/94/577343894.db2.gz QZRJBIRSJQJRKK-PMACEKPBSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000773450551 577343895 /nfs/dbraw/zinc/34/38/95/577343895.db2.gz QZRJBIRSJQJRKK-PMACEKPBSA-N 2 1 339.483 2.111 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620949 676274886 /nfs/dbraw/zinc/27/48/86/676274886.db2.gz YFJPYAXGXUBRHE-YJBOKZPZSA-N 2 1 346.475 2.239 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001021620949 676274887 /nfs/dbraw/zinc/27/48/87/676274887.db2.gz YFJPYAXGXUBRHE-YJBOKZPZSA-N 2 1 346.475 2.239 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCC=C)CC[C@@H]32)CC1 ZINC001021738668 676396830 /nfs/dbraw/zinc/39/68/30/676396830.db2.gz CNTWMWNLNNDCCI-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001022222433 676745287 /nfs/dbraw/zinc/74/52/87/676745287.db2.gz ZSFUMUUPZMKUQG-LMCOJAPRSA-N 2 1 339.483 2.390 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001022222433 676745289 /nfs/dbraw/zinc/74/52/89/676745289.db2.gz ZSFUMUUPZMKUQG-LMCOJAPRSA-N 2 1 339.483 2.390 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556019 679376558 /nfs/dbraw/zinc/37/65/58/679376558.db2.gz FUWIZZTVGIGIPY-SJORKVTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023556019 679376560 /nfs/dbraw/zinc/37/65/60/679376560.db2.gz FUWIZZTVGIGIPY-SJORKVTESA-N 2 1 330.476 2.158 20 30 EEEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462711 679928318 /nfs/dbraw/zinc/92/83/18/679928318.db2.gz VLXBAVHEUQWLCH-INIZCTEOSA-N 2 1 333.501 2.417 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462711 679928321 /nfs/dbraw/zinc/92/83/21/679928321.db2.gz VLXBAVHEUQWLCH-INIZCTEOSA-N 2 1 333.501 2.417 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974823256 685583148 /nfs/dbraw/zinc/58/31/48/685583148.db2.gz FLXQNGJTGNHKOH-QGZVFWFLSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974823256 685583151 /nfs/dbraw/zinc/58/31/51/685583151.db2.gz FLXQNGJTGNHKOH-QGZVFWFLSA-N 2 1 330.476 2.165 20 30 EEEDMP C#CCC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974638093 685156447 /nfs/dbraw/zinc/15/64/47/685156447.db2.gz DETMUCVIXQBJSM-HNNXBMFYSA-N 2 1 333.501 2.273 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974638093 685156452 /nfs/dbraw/zinc/15/64/52/685156452.db2.gz DETMUCVIXQBJSM-HNNXBMFYSA-N 2 1 333.501 2.273 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975038931 686061599 /nfs/dbraw/zinc/06/15/99/686061599.db2.gz LRGRYFWGHNIVDV-RDJZCZTQSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975038931 686061607 /nfs/dbraw/zinc/06/16/07/686061607.db2.gz LRGRYFWGHNIVDV-RDJZCZTQSA-N 2 1 330.476 2.157 20 30 EEEDMP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262464580 686168643 /nfs/dbraw/zinc/16/86/43/686168643.db2.gz YCKUFRBNOHTJKC-ITQYTPKQSA-N 2 1 326.488 2.408 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990685834 693218409 /nfs/dbraw/zinc/21/84/09/693218409.db2.gz MJWUDAJHZNSDKL-SOLBZPMBSA-N 2 1 337.895 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990685834 693218412 /nfs/dbraw/zinc/21/84/12/693218412.db2.gz MJWUDAJHZNSDKL-SOLBZPMBSA-N 2 1 337.895 2.194 20 30 EEEDMP C=C(Cl)CN1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990763638 693627504 /nfs/dbraw/zinc/62/75/04/693627504.db2.gz OLGTUXVRCIQABO-ANQUJSFKSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990763638 693627509 /nfs/dbraw/zinc/62/75/09/693627509.db2.gz OLGTUXVRCIQABO-ANQUJSFKSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990763638 693627514 /nfs/dbraw/zinc/62/75/14/693627514.db2.gz OLGTUXVRCIQABO-ANQUJSFKSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990763638 693627518 /nfs/dbraw/zinc/62/75/18/693627518.db2.gz OLGTUXVRCIQABO-ANQUJSFKSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990763638 693627522 /nfs/dbraw/zinc/62/75/22/693627522.db2.gz OLGTUXVRCIQABO-ANQUJSFKSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001088368629 1186683419 /nfs/dbraw/zinc/68/34/19/1186683419.db2.gz OLGGPUFDJUVXNX-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001088368629 1186683421 /nfs/dbraw/zinc/68/34/21/1186683421.db2.gz OLGGPUFDJUVXNX-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001088381417 1186747635 /nfs/dbraw/zinc/74/76/35/1186747635.db2.gz DNJSCTDUUPSDIG-QFBILLFUSA-N 2 1 337.483 2.193 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001105439005 1187121166 /nfs/dbraw/zinc/12/11/66/1187121166.db2.gz VNEQBKVGSAKUOX-XFIJJGBISA-N 2 1 341.499 2.176 20 30 EEEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539219 1188160150 /nfs/dbraw/zinc/16/01/50/1188160150.db2.gz BKUWIMREFSPYNI-QRVBRYPASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539612 1188160882 /nfs/dbraw/zinc/16/08/82/1188160882.db2.gz LJZHBJZMFAGCPF-QRVBRYPASA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563926 1188179660 /nfs/dbraw/zinc/17/96/60/1188179660.db2.gz UCKNCYXCHYWJJP-RTBURBONSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000843815139 1188619347 /nfs/dbraw/zinc/61/93/47/1188619347.db2.gz PDUVDNVGMCQZLS-SXLOBPIMSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000843815139 1188619350 /nfs/dbraw/zinc/61/93/50/1188619350.db2.gz PDUVDNVGMCQZLS-SXLOBPIMSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000843815139 1188619352 /nfs/dbraw/zinc/61/93/52/1188619352.db2.gz PDUVDNVGMCQZLS-SXLOBPIMSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000843815139 1188619354 /nfs/dbraw/zinc/61/93/54/1188619354.db2.gz PDUVDNVGMCQZLS-SXLOBPIMSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000843815139 1188619357 /nfs/dbraw/zinc/61/93/57/1188619357.db2.gz PDUVDNVGMCQZLS-SXLOBPIMSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001076627044 1189053445 /nfs/dbraw/zinc/05/34/45/1189053445.db2.gz KPRBHNXJPGPZRD-FUHWJXTLSA-N 2 1 343.471 2.291 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991068783 1189834125 /nfs/dbraw/zinc/83/41/25/1189834125.db2.gz PQQCTWQQCAGIKV-QWFCFKBJSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000991068783 1189834130 /nfs/dbraw/zinc/83/41/30/1189834130.db2.gz PQQCTWQQCAGIKV-QWFCFKBJSA-N 2 1 331.504 2.386 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000991068783 1189834137 /nfs/dbraw/zinc/83/41/37/1189834137.db2.gz PQQCTWQQCAGIKV-QWFCFKBJSA-N 2 1 331.504 2.386 20 30 EEEDMP C[NH+]1CCC(CC[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)CC1 ZINC001273039950 1194344262 /nfs/dbraw/zinc/34/42/62/1194344262.db2.gz YPYBVQOFAXWRQX-QZTJIDSGSA-N 2 1 332.492 2.087 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366457 1194482077 /nfs/dbraw/zinc/48/20/77/1194482077.db2.gz QRIGJXGMXBQCPN-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366457 1194482079 /nfs/dbraw/zinc/48/20/79/1194482079.db2.gz QRIGJXGMXBQCPN-AEFFLSMTSA-N 2 1 330.476 2.253 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033417275 1194539374 /nfs/dbraw/zinc/53/93/74/1194539374.db2.gz VUZZSPNJDDVVOD-CABCVRRESA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033417275 1194539376 /nfs/dbraw/zinc/53/93/76/1194539376.db2.gz VUZZSPNJDDVVOD-CABCVRRESA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033417275 1194539379 /nfs/dbraw/zinc/53/93/79/1194539379.db2.gz VUZZSPNJDDVVOD-CABCVRRESA-N 2 1 346.500 2.137 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033417275 1194539383 /nfs/dbraw/zinc/53/93/83/1194539383.db2.gz VUZZSPNJDDVVOD-CABCVRRESA-N 2 1 346.500 2.137 20 30 EEEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832453 1195345902 /nfs/dbraw/zinc/34/59/02/1195345902.db2.gz FROFKJRBSDAKTB-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832453 1195345906 /nfs/dbraw/zinc/34/59/06/1195345906.db2.gz FROFKJRBSDAKTB-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001034734783 1196634424 /nfs/dbraw/zinc/63/44/24/1196634424.db2.gz YQKOOENRMSTOKG-MPGHIAIKSA-N 2 1 325.472 2.402 20 30 EEEDMP N#Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC001034963719 1196944321 /nfs/dbraw/zinc/94/43/21/1196944321.db2.gz HIBPWCHRXGJLGO-KZNAEPCWSA-N 2 1 349.438 2.166 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086720592 1199456446 /nfs/dbraw/zinc/45/64/46/1199456446.db2.gz DWPBMXBEGIZZQL-ZCNNSNEGSA-N 2 1 343.515 2.459 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086720592 1199456455 /nfs/dbraw/zinc/45/64/55/1199456455.db2.gz DWPBMXBEGIZZQL-ZCNNSNEGSA-N 2 1 343.515 2.459 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018308729 1224593259 /nfs/dbraw/zinc/59/32/59/1224593259.db2.gz BGDQROBQZGXAGF-HDICACEKSA-N 2 1 325.456 2.060 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132887759 1200154849 /nfs/dbraw/zinc/15/48/49/1200154849.db2.gz HUWGTQIVSBZGRT-UKRRQHHQSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000870125788 1200489427 /nfs/dbraw/zinc/48/94/27/1200489427.db2.gz QWZSIBAUCQJIKL-GOSISDBHSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000884103283 1202233098 /nfs/dbraw/zinc/23/30/98/1202233098.db2.gz GFOJFSNGYRJROY-LJQANCHMSA-N 2 1 346.519 2.038 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000884103283 1202233100 /nfs/dbraw/zinc/23/31/00/1202233100.db2.gz GFOJFSNGYRJROY-LJQANCHMSA-N 2 1 346.519 2.038 20 30 EEEDMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000104183185 1204613310 /nfs/dbraw/zinc/61/33/10/1204613310.db2.gz ZVAOJIQZOULRRW-QGZVFWFLSA-N 2 1 325.545 2.133 20 30 EEEDMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000104183185 1204613311 /nfs/dbraw/zinc/61/33/11/1204613311.db2.gz ZVAOJIQZOULRRW-QGZVFWFLSA-N 2 1 325.545 2.133 20 30 EEEDMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000104183185 1204613314 /nfs/dbraw/zinc/61/33/14/1204613314.db2.gz ZVAOJIQZOULRRW-QGZVFWFLSA-N 2 1 325.545 2.133 20 30 EEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]2CCOC2)CC3)cc1C#N ZINC001275172667 1205273719 /nfs/dbraw/zinc/27/37/19/1205273719.db2.gz RUIQVZQZMULTLL-QGZVFWFLSA-N 2 1 342.487 2.221 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(C#N)ccc1Cl ZINC001275312173 1205305896 /nfs/dbraw/zinc/30/58/96/1205305896.db2.gz GTKKDEYSMFBNBM-ROUUACIJSA-N 2 1 332.879 2.422 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(C#N)ccc1Cl ZINC001275312173 1205305899 /nfs/dbraw/zinc/30/58/99/1205305899.db2.gz GTKKDEYSMFBNBM-ROUUACIJSA-N 2 1 332.879 2.422 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1cc(F)ccc1C#N)CC2 ZINC001275596887 1205437501 /nfs/dbraw/zinc/43/75/01/1205437501.db2.gz GLQOAUGKAMTXDA-UHFFFAOYSA-N 2 1 330.451 2.157 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947567632 1208624116 /nfs/dbraw/zinc/62/41/16/1208624116.db2.gz FYISDELILIAIEG-FUHWJXTLSA-N 2 1 327.472 2.007 20 30 EEEDMP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000948899065 1209443047 /nfs/dbraw/zinc/44/30/47/1209443047.db2.gz QJKLYRMEQFIONW-RTBURBONSA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000948899065 1209443049 /nfs/dbraw/zinc/44/30/49/1209443049.db2.gz QJKLYRMEQFIONW-RTBURBONSA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948899065 1209443050 /nfs/dbraw/zinc/44/30/50/1209443050.db2.gz QJKLYRMEQFIONW-RTBURBONSA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948899065 1209443052 /nfs/dbraw/zinc/44/30/52/1209443052.db2.gz QJKLYRMEQFIONW-RTBURBONSA-N 2 1 327.472 2.372 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001114502417 1212144411 /nfs/dbraw/zinc/14/44/11/1212144411.db2.gz UREJGPXQHUYOGT-ZSHCYNCHSA-N 2 1 339.911 2.438 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114502417 1212144418 /nfs/dbraw/zinc/14/44/18/1212144418.db2.gz UREJGPXQHUYOGT-ZSHCYNCHSA-N 2 1 339.911 2.438 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114502417 1212144421 /nfs/dbraw/zinc/14/44/21/1212144421.db2.gz UREJGPXQHUYOGT-ZSHCYNCHSA-N 2 1 339.911 2.438 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114502417 1212144423 /nfs/dbraw/zinc/14/44/23/1212144423.db2.gz UREJGPXQHUYOGT-ZSHCYNCHSA-N 2 1 339.911 2.438 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC000957550106 1215202235 /nfs/dbraw/zinc/20/22/35/1215202235.db2.gz JXEYDPVEXULTRR-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CC[NH+]1CCC2(CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)CC1 ZINC000957570646 1215220680 /nfs/dbraw/zinc/22/06/80/1215220680.db2.gz GFTOXTPQZNAPNU-UHFFFAOYSA-N 2 1 346.475 2.240 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(Cl)c1 ZINC000304806851 1216107058 /nfs/dbraw/zinc/10/70/58/1216107058.db2.gz SOUUCKCCNRANDH-DZGCQCFKSA-N 2 1 338.883 2.496 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000961991721 1217440368 /nfs/dbraw/zinc/44/03/68/1217440368.db2.gz GLJYHUGDHKWGRA-MQBCKMQZSA-N 2 1 346.500 2.088 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963393948 1217591353 /nfs/dbraw/zinc/59/13/53/1217591353.db2.gz ZXPHRRGECBGHAI-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000968645154 1221460383 /nfs/dbraw/zinc/46/03/83/1221460383.db2.gz PAWBCYBSQPFQOM-RHSMWYFYSA-N 2 1 346.500 2.183 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674455 1221482698 /nfs/dbraw/zinc/48/26/98/1221482698.db2.gz QZAAQJCNCASOKI-LPHOPBHVSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC000968956507 1221700652 /nfs/dbraw/zinc/70/06/52/1221700652.db2.gz OZYXAKXXNZSZLO-FCEWJHQRSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC000968956507 1221700654 /nfs/dbraw/zinc/70/06/54/1221700654.db2.gz OZYXAKXXNZSZLO-FCEWJHQRSA-N 2 1 343.446 2.175 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002127 1221730387 /nfs/dbraw/zinc/73/03/87/1221730387.db2.gz LIFIFBRTQOFYEB-ZWKOTPCHSA-N 2 1 342.487 2.138 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000969002127 1221730388 /nfs/dbraw/zinc/73/03/88/1221730388.db2.gz LIFIFBRTQOFYEB-ZWKOTPCHSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100610 1221808046 /nfs/dbraw/zinc/80/80/46/1221808046.db2.gz CFXVTBBDJHRCPU-IBGZPJMESA-N 2 1 333.520 2.491 20 30 EEEDMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001008407109 1222815112 /nfs/dbraw/zinc/81/51/12/1222815112.db2.gz QFUKTMIFYMHOQM-HNNXBMFYSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001008407109 1222815115 /nfs/dbraw/zinc/81/51/15/1222815115.db2.gz QFUKTMIFYMHOQM-HNNXBMFYSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cncc2C1 ZINC001017671241 1227621742 /nfs/dbraw/zinc/62/17/42/1227621742.db2.gz OZNUXTLMBWRYFO-YESZJQIVSA-N 2 1 328.460 2.087 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039154337 1230374895 /nfs/dbraw/zinc/37/48/95/1230374895.db2.gz VHADBARPGTZHPF-RTBURBONSA-N 2 1 333.520 2.156 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC001039167310 1230389860 /nfs/dbraw/zinc/38/98/60/1230389860.db2.gz QWAZUVXJCXGBCB-GOSISDBHSA-N 2 1 342.487 2.200 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC001039167310 1230389866 /nfs/dbraw/zinc/38/98/66/1230389866.db2.gz QWAZUVXJCXGBCB-GOSISDBHSA-N 2 1 342.487 2.200 20 30 EEEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039174247 1230401023 /nfs/dbraw/zinc/40/10/23/1230401023.db2.gz PTNYMBSUMVZFHC-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174247 1230401025 /nfs/dbraw/zinc/40/10/25/1230401025.db2.gz PTNYMBSUMVZFHC-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174247 1230401029 /nfs/dbraw/zinc/40/10/29/1230401029.db2.gz PTNYMBSUMVZFHC-IEBWSBKVSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039255612 1230490644 /nfs/dbraw/zinc/49/06/44/1230490644.db2.gz DFEOSGSETXJVBF-WOJBJXKFSA-N 2 1 345.531 2.443 20 30 EEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001039455874 1230622030 /nfs/dbraw/zinc/62/20/30/1230622030.db2.gz VWMDKWWLOAQOSO-MSOLQXFVSA-N 2 1 337.427 2.132 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001039455874 1230622032 /nfs/dbraw/zinc/62/20/32/1230622032.db2.gz VWMDKWWLOAQOSO-MSOLQXFVSA-N 2 1 337.427 2.132 20 30 EEEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347342 1231180596 /nfs/dbraw/zinc/18/05/96/1231180596.db2.gz JJTHITRBPLVBIG-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347342 1231180598 /nfs/dbraw/zinc/18/05/98/1231180598.db2.gz JJTHITRBPLVBIG-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347342 1231180601 /nfs/dbraw/zinc/18/06/01/1231180601.db2.gz JJTHITRBPLVBIG-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347369 1231181031 /nfs/dbraw/zinc/18/10/31/1231181031.db2.gz KAIMKOUDGQDPTJ-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347369 1231181035 /nfs/dbraw/zinc/18/10/35/1231181035.db2.gz KAIMKOUDGQDPTJ-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347369 1231181039 /nfs/dbraw/zinc/18/10/39/1231181039.db2.gz KAIMKOUDGQDPTJ-TZIWHRDSSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040421161 1231221238 /nfs/dbraw/zinc/22/12/38/1231221238.db2.gz FVYDAJFCMYUHSI-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040421161 1231221241 /nfs/dbraw/zinc/22/12/41/1231221241.db2.gz FVYDAJFCMYUHSI-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](C)CC)CC2 ZINC001040732269 1231351979 /nfs/dbraw/zinc/35/19/79/1231351979.db2.gz ZOHBWGNGUAHVGF-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](C)CC)CC2 ZINC001040732269 1231351983 /nfs/dbraw/zinc/35/19/83/1231351983.db2.gz ZOHBWGNGUAHVGF-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358355 1231518732 /nfs/dbraw/zinc/51/87/32/1231518732.db2.gz NEZNPNWVTHLVGY-LPHOPBHVSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358355 1231518734 /nfs/dbraw/zinc/51/87/34/1231518734.db2.gz NEZNPNWVTHLVGY-LPHOPBHVSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844456 1231728242 /nfs/dbraw/zinc/72/82/42/1231728242.db2.gz IUFZHBQEMIEXID-HXUWFJFHSA-N 2 1 327.472 2.472 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845746 1231728699 /nfs/dbraw/zinc/72/86/99/1231728699.db2.gz PKMSCZVFTIHXGY-AZUAARDMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001044792300 1233268452 /nfs/dbraw/zinc/26/84/52/1233268452.db2.gz KFCVREOOPVGGKH-NVXWUHKLSA-N 2 1 339.443 2.426 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045953323 1234220817 /nfs/dbraw/zinc/22/08/17/1234220817.db2.gz YEGJBVBXSUYTDB-FQEVSTJZSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960563 1234235125 /nfs/dbraw/zinc/23/51/25/1234235125.db2.gz MPYRLEKGEORYGD-HXUWFJFHSA-N 2 1 343.471 2.293 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045967565 1234248173 /nfs/dbraw/zinc/24/81/73/1234248173.db2.gz XLQYPZKRGKVCAJ-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045967565 1234248176 /nfs/dbraw/zinc/24/81/76/1234248176.db2.gz XLQYPZKRGKVCAJ-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045985254 1234280500 /nfs/dbraw/zinc/28/05/00/1234280500.db2.gz PJBQOSORWQCMOF-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045985254 1234280504 /nfs/dbraw/zinc/28/05/04/1234280504.db2.gz PJBQOSORWQCMOF-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001046946511 1235340444 /nfs/dbraw/zinc/34/04/44/1235340444.db2.gz WGYWAJLSDKRXPF-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001046946511 1235340447 /nfs/dbraw/zinc/34/04/47/1235340447.db2.gz WGYWAJLSDKRXPF-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001046946511 1235340449 /nfs/dbraw/zinc/34/04/49/1235340449.db2.gz WGYWAJLSDKRXPF-HUUCEWRRSA-N 2 1 329.435 2.120 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](CC=C)CC2)C1 ZINC001047244467 1235736590 /nfs/dbraw/zinc/73/65/90/1235736590.db2.gz SHRYGNUUJPJPAB-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](CC=C)CC2)C1 ZINC001047244467 1235736596 /nfs/dbraw/zinc/73/65/96/1235736596.db2.gz SHRYGNUUJPJPAB-PMACEKPBSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257828 1235762789 /nfs/dbraw/zinc/76/27/89/1235762789.db2.gz UWPPXXYRUWCAKG-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001048543373 1237924217 /nfs/dbraw/zinc/92/42/17/1237924217.db2.gz VPTISJDEMMATLE-VBUUOAMHSA-N 2 1 336.439 2.330 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574252 1237997723 /nfs/dbraw/zinc/99/77/23/1237997723.db2.gz TZEVJWOZDJJABX-OUUBHVDSSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048574252 1237997739 /nfs/dbraw/zinc/99/77/39/1237997739.db2.gz TZEVJWOZDJJABX-OUUBHVDSSA-N 2 1 343.515 2.386 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048574252 1237997749 /nfs/dbraw/zinc/99/77/49/1237997749.db2.gz TZEVJWOZDJJABX-OUUBHVDSSA-N 2 1 343.515 2.386 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887610 1239143025 /nfs/dbraw/zinc/14/30/25/1239143025.db2.gz CZPCELQNVUMAKD-TWMKSMIVSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048887610 1239143032 /nfs/dbraw/zinc/14/30/32/1239143032.db2.gz CZPCELQNVUMAKD-TWMKSMIVSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048887610 1239143042 /nfs/dbraw/zinc/14/30/42/1239143042.db2.gz CZPCELQNVUMAKD-TWMKSMIVSA-N 2 1 337.895 2.146 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC001000153805 1240003636 /nfs/dbraw/zinc/00/36/36/1240003636.db2.gz LSYWEZMONVKZAN-MJGOQNOKSA-N 2 1 343.515 2.245 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049232759 1240332625 /nfs/dbraw/zinc/33/26/25/1240332625.db2.gz YAGPGNDCBJGDQE-FPCVCCKLSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001049561394 1241422721 /nfs/dbraw/zinc/42/27/21/1241422721.db2.gz KPOTWIZOTNHLMT-ATZDWAIDSA-N 2 1 342.487 2.464 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073462516 1242507229 /nfs/dbraw/zinc/50/72/29/1242507229.db2.gz UYAPDLMKFKOXHP-MRXNPFEDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073462516 1242507236 /nfs/dbraw/zinc/50/72/36/1242507236.db2.gz UYAPDLMKFKOXHP-MRXNPFEDSA-N 2 1 339.911 2.394 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001073899505 1242761624 /nfs/dbraw/zinc/76/16/24/1242761624.db2.gz VTCFEWLYXUNPOS-LJQANCHMSA-N 2 1 345.487 2.145 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096603854 1242772897 /nfs/dbraw/zinc/77/28/97/1242772897.db2.gz CGLTWNAFAUCMAQ-QYZOEREBSA-N 2 1 325.456 2.107 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001050544496 1243817070 /nfs/dbraw/zinc/81/70/70/1243817070.db2.gz KBRGAUNXFPIZSM-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(=C)C)CC2)CC1 ZINC001052959261 1245557905 /nfs/dbraw/zinc/55/79/05/1245557905.db2.gz TTXBIDVRJZKRDM-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028933 1245713252 /nfs/dbraw/zinc/71/32/52/1245713252.db2.gz NZBQARJDOURGSJ-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053028933 1245713261 /nfs/dbraw/zinc/71/32/61/1245713261.db2.gz NZBQARJDOURGSJ-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053028933 1245713266 /nfs/dbraw/zinc/71/32/66/1245713266.db2.gz NZBQARJDOURGSJ-RTBURBONSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107606 1245926771 /nfs/dbraw/zinc/92/67/71/1245926771.db2.gz KCUDWPRYQHHEKK-MOPGFXCFSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107606 1245926774 /nfs/dbraw/zinc/92/67/74/1245926774.db2.gz KCUDWPRYQHHEKK-MOPGFXCFSA-N 2 1 342.487 2.308 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)O2 ZINC001053674155 1246626604 /nfs/dbraw/zinc/62/66/04/1246626604.db2.gz JRTFJGLIQLQJKO-QZTJIDSGSA-N 2 1 349.519 2.175 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001052253434 1246776201 /nfs/dbraw/zinc/77/62/01/1246776201.db2.gz DIJZUQZVFNBZFZ-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001052253434 1246776218 /nfs/dbraw/zinc/77/62/18/1246776218.db2.gz DIJZUQZVFNBZFZ-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001052253434 1246776229 /nfs/dbraw/zinc/77/62/29/1246776229.db2.gz DIJZUQZVFNBZFZ-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052551957 1247541638 /nfs/dbraw/zinc/54/16/38/1247541638.db2.gz POWXMGCLFRCKGY-OAHLLOKOSA-N 2 1 325.416 2.038 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182327 1247634164 /nfs/dbraw/zinc/63/41/64/1247634164.db2.gz HRXQBIYPERMABK-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182327 1247634178 /nfs/dbraw/zinc/63/41/78/1247634178.db2.gz HRXQBIYPERMABK-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054182327 1247634192 /nfs/dbraw/zinc/63/41/92/1247634192.db2.gz HRXQBIYPERMABK-CTNGQTDRSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054198520 1247689976 /nfs/dbraw/zinc/68/99/76/1247689976.db2.gz YVMMWUUPATXLTK-QAPCUYQASA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198520 1247689982 /nfs/dbraw/zinc/68/99/82/1247689982.db2.gz YVMMWUUPATXLTK-QAPCUYQASA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198520 1247689992 /nfs/dbraw/zinc/68/99/92/1247689992.db2.gz YVMMWUUPATXLTK-QAPCUYQASA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001071689616 1254516389 /nfs/dbraw/zinc/51/63/89/1254516389.db2.gz NINVHNSBJDUQOC-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001071689616 1254516395 /nfs/dbraw/zinc/51/63/95/1254516395.db2.gz NINVHNSBJDUQOC-HOTGVXAUSA-N 2 1 330.476 2.307 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H]1C ZINC001074877959 1257186526 /nfs/dbraw/zinc/18/65/26/1257186526.db2.gz TYLKKVPPZALKRX-BXWFABGCSA-N 2 1 340.471 2.122 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099317754 1258079814 /nfs/dbraw/zinc/07/98/14/1258079814.db2.gz ODASEMACJANBKF-RBSFLKMASA-N 2 1 347.425 2.414 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001100896771 1259407792 /nfs/dbraw/zinc/40/77/92/1259407792.db2.gz JSJHJCMIMRYVSB-UHFFFAOYSA-N 2 1 342.487 2.275 20 30 EEEDMP CCCCCCC[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001201762315 1289747631 /nfs/dbraw/zinc/74/76/31/1289747631.db2.gz FQTRZXFSKMKAEG-UHFFFAOYSA-N 2 1 336.480 2.295 20 30 EEEDMP CCCCCCC[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001201762315 1289747640 /nfs/dbraw/zinc/74/76/40/1289747640.db2.gz FQTRZXFSKMKAEG-UHFFFAOYSA-N 2 1 336.480 2.295 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCC(=C)C)C2)CC1 ZINC001072095415 1295236287 /nfs/dbraw/zinc/23/62/87/1295236287.db2.gz HXTFNCGUMIEWOY-HKUYNNGSSA-N 2 1 331.504 2.267 20 30 EEEDMP Cc1ccc(NC(=[NH2+])NCc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000303874825 1296592616 /nfs/dbraw/zinc/59/26/16/1296592616.db2.gz HJUKPPAMVVBOTI-UHFFFAOYSA-N 2 1 338.459 2.069 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001073898998 1297668496 /nfs/dbraw/zinc/66/84/96/1297668496.db2.gz IMQDZWAROZQQGG-IBGZPJMESA-N 2 1 345.487 2.145 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC001218715554 1297775218 /nfs/dbraw/zinc/77/52/18/1297775218.db2.gz JLKVEALKQZBBFY-GBESFXJTSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463533 1298797155 /nfs/dbraw/zinc/79/71/55/1298797155.db2.gz WZJHTMSHJBMXSQ-AKHDSKFASA-N 2 1 331.504 2.242 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)C1 ZINC001221913069 1299186498 /nfs/dbraw/zinc/18/64/98/1299186498.db2.gz CTGDHQBTRHWYPS-QZTJIDSGSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)C1 ZINC001221913069 1299186507 /nfs/dbraw/zinc/18/65/07/1299186507.db2.gz CTGDHQBTRHWYPS-QZTJIDSGSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](CC)C2)C1 ZINC001221913069 1299186518 /nfs/dbraw/zinc/18/65/18/1299186518.db2.gz CTGDHQBTRHWYPS-QZTJIDSGSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](CC)C2)C1 ZINC001221913069 1299186527 /nfs/dbraw/zinc/18/65/27/1299186527.db2.gz CTGDHQBTRHWYPS-QZTJIDSGSA-N 2 1 348.535 2.284 20 30 EEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899845 1299472193 /nfs/dbraw/zinc/47/21/93/1299472193.db2.gz YZSWAMKDSHUSCL-DLBZAZTESA-N 2 1 339.524 2.015 20 30 EEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899845 1299472199 /nfs/dbraw/zinc/47/21/99/1299472199.db2.gz YZSWAMKDSHUSCL-DLBZAZTESA-N 2 1 339.524 2.015 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899845 1299472204 /nfs/dbraw/zinc/47/22/04/1299472204.db2.gz YZSWAMKDSHUSCL-DLBZAZTESA-N 2 1 339.524 2.015 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@@H]21 ZINC001223039585 1299960318 /nfs/dbraw/zinc/96/03/18/1299960318.db2.gz LWAQDOLGTHRXAY-AEFFLSMTSA-N 2 1 328.460 2.017 20 30 EEEDMP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1)[NH+](C)C ZINC001229222678 1302682837 /nfs/dbraw/zinc/68/28/37/1302682837.db2.gz FLXZAWBJDJVJGS-SFHVURJKSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622565 1303331164 /nfs/dbraw/zinc/33/11/64/1303331164.db2.gz OZDACTPWUZTOPZ-LJQANCHMSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1cccnc1 ZINC001230784279 1303455823 /nfs/dbraw/zinc/45/58/23/1303455823.db2.gz ZQGPUIINXDGBLI-SFHVURJKSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cccnc1 ZINC001230784279 1303455829 /nfs/dbraw/zinc/45/58/29/1303455829.db2.gz ZQGPUIINXDGBLI-SFHVURJKSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cccnc1 ZINC001230784279 1303455833 /nfs/dbraw/zinc/45/58/33/1303455833.db2.gz ZQGPUIINXDGBLI-SFHVURJKSA-N 2 1 330.476 2.060 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001111892575 1304060730 /nfs/dbraw/zinc/06/07/30/1304060730.db2.gz WTOKMHCUIFUDGW-PXNSSMCTSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001111892575 1304060737 /nfs/dbraw/zinc/06/07/37/1304060737.db2.gz WTOKMHCUIFUDGW-PXNSSMCTSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC2[C@H]3C[N@H+](CC/C=C\CCC)C[C@@H]23)CC1 ZINC001115289854 1304907259 /nfs/dbraw/zinc/90/72/59/1304907259.db2.gz IIMKGTKGVXLYJM-MCWYWBIJSA-N 2 1 343.515 2.124 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(O)ccc2C)CC1 ZINC001238111128 1306228893 /nfs/dbraw/zinc/22/88/93/1306228893.db2.gz UEKKOBZXPGPANB-UHFFFAOYSA-N 2 1 329.488 2.492 20 30 EEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246547906 1310336339 /nfs/dbraw/zinc/33/63/39/1310336339.db2.gz GXTWKOCOZZBTGB-RZRMAFQFSA-N 2 1 333.476 2.380 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001150403862 1316259128 /nfs/dbraw/zinc/25/91/28/1316259128.db2.gz QNKHQKLPJCPPIM-KRWDZBQOSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001150403862 1316259130 /nfs/dbraw/zinc/25/91/30/1316259130.db2.gz QNKHQKLPJCPPIM-KRWDZBQOSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761380 1316367387 /nfs/dbraw/zinc/36/73/87/1316367387.db2.gz NGIFLJJPINIOMV-GOSISDBHSA-N 2 1 337.508 2.036 20 30 EEEDMP CC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392267 1316666781 /nfs/dbraw/zinc/66/67/81/1316666781.db2.gz KMVTXXBBBKTTNI-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392267 1316666783 /nfs/dbraw/zinc/66/67/83/1316666783.db2.gz KMVTXXBBBKTTNI-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152392267 1316666786 /nfs/dbraw/zinc/66/67/86/1316666786.db2.gz KMVTXXBBBKTTNI-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)cc1F)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152392267 1316666788 /nfs/dbraw/zinc/66/67/88/1316666788.db2.gz KMVTXXBBBKTTNI-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1 ZINC001153891115 1316909697 /nfs/dbraw/zinc/90/96/97/1316909697.db2.gz MCJAAJZOVWZEIG-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1 ZINC001153891115 1316909699 /nfs/dbraw/zinc/90/96/99/1316909699.db2.gz MCJAAJZOVWZEIG-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1 ZINC001153891115 1316909700 /nfs/dbraw/zinc/90/97/00/1316909700.db2.gz MCJAAJZOVWZEIG-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1 ZINC001153891115 1316909702 /nfs/dbraw/zinc/90/97/02/1316909702.db2.gz MCJAAJZOVWZEIG-MJGOQNOKSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154480706 1317153728 /nfs/dbraw/zinc/15/37/28/1317153728.db2.gz FIYKTSRATHXBBF-QGZVFWFLSA-N 2 1 329.488 2.254 20 30 EEEDMP C[Si](C)(C)C#Cc1cccnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155376435 1317570633 /nfs/dbraw/zinc/57/06/33/1317570633.db2.gz NAWDPIWHBFRIHH-GOSISDBHSA-N 2 1 342.563 2.170 20 30 EEEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155833975 1317756277 /nfs/dbraw/zinc/75/62/77/1317756277.db2.gz KWRINGMLXZABAM-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155833975 1317756283 /nfs/dbraw/zinc/75/62/83/1317756283.db2.gz KWRINGMLXZABAM-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001157887429 1318917595 /nfs/dbraw/zinc/91/75/95/1318917595.db2.gz VLNFUKPACKUBAA-MRXNPFEDSA-N 2 1 334.489 2.088 20 30 EEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001158212397 1319083596 /nfs/dbraw/zinc/08/35/96/1319083596.db2.gz OQHHOXCCXICDEV-QGZVFWFLSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001160209371 1320100149 /nfs/dbraw/zinc/10/01/49/1320100149.db2.gz JXAHRDOOHCNKPI-MOPGFXCFSA-N 2 1 343.446 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001160209371 1320100152 /nfs/dbraw/zinc/10/01/52/1320100152.db2.gz JXAHRDOOHCNKPI-MOPGFXCFSA-N 2 1 343.446 2.007 20 30 EEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160292030 1320124853 /nfs/dbraw/zinc/12/48/53/1320124853.db2.gz KVXCPNHLHQOXLA-KRWDZBQOSA-N 2 1 325.472 2.381 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001160559941 1320197616 /nfs/dbraw/zinc/19/76/16/1320197616.db2.gz TYXSARUSSRFCPL-UHFFFAOYSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559941 1320197620 /nfs/dbraw/zinc/19/76/20/1320197620.db2.gz TYXSARUSSRFCPL-UHFFFAOYSA-N 2 1 331.504 2.411 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559941 1320197622 /nfs/dbraw/zinc/19/76/22/1320197622.db2.gz TYXSARUSSRFCPL-UHFFFAOYSA-N 2 1 331.504 2.411 20 30 EEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001160997378 1320348512 /nfs/dbraw/zinc/34/85/12/1320348512.db2.gz PMPFHAJALLNSQH-LJQANCHMSA-N 2 1 349.519 2.200 20 30 EEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160997378 1320348515 /nfs/dbraw/zinc/34/85/15/1320348515.db2.gz PMPFHAJALLNSQH-LJQANCHMSA-N 2 1 349.519 2.200 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160997378 1320348518 /nfs/dbraw/zinc/34/85/18/1320348518.db2.gz PMPFHAJALLNSQH-LJQANCHMSA-N 2 1 349.519 2.200 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383275 1320482456 /nfs/dbraw/zinc/48/24/56/1320482456.db2.gz OUJFOQHXIXMQAR-GOSISDBHSA-N 2 1 331.504 2.413 20 30 EEEDMP C=CCC[NH2+]CC1(CCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001166205620 1321678119 /nfs/dbraw/zinc/67/81/19/1321678119.db2.gz RIPJKFQHYORFGK-UHFFFAOYSA-N 2 1 330.476 2.214 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203490982 1321894690 /nfs/dbraw/zinc/89/46/90/1321894690.db2.gz DZTFVDJUBUBFEM-DLBZAZTESA-N 2 1 328.460 2.012 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203490984 1321894892 /nfs/dbraw/zinc/89/48/92/1321894892.db2.gz DZTFVDJUBUBFEM-IRXDYDNUSA-N 2 1 328.460 2.012 20 30 EEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205334306 1322352647 /nfs/dbraw/zinc/35/26/47/1322352647.db2.gz JWDYGGCPGZADNT-JKSUJKDBSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](CCOc2ccccc2)CC1 ZINC001209300593 1324891255 /nfs/dbraw/zinc/89/12/55/1324891255.db2.gz ZCKPRDNRIPXXEW-UHFFFAOYSA-N 2 1 329.488 2.357 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001209650260 1324999256 /nfs/dbraw/zinc/99/92/56/1324999256.db2.gz GGDQCQMPPKWDCC-MRXNPFEDSA-N 2 1 346.475 2.431 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001209650518 1324999905 /nfs/dbraw/zinc/99/99/05/1324999905.db2.gz IUDWTLBTKLDJQH-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCc1cccc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1O ZINC001276684720 1325297574 /nfs/dbraw/zinc/29/75/74/1325297574.db2.gz KXXGIYPEHGLOTO-PKOBYXMFSA-N 2 1 329.488 2.188 20 30 EEEDMP C#CC[N@H+](CC1CC1)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001325513845 1333901784 /nfs/dbraw/zinc/90/17/84/1333901784.db2.gz WKGYVICGEUENJQ-XLIONFOSSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[N@@H+](CC1CC1)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001325513845 1333901785 /nfs/dbraw/zinc/90/17/85/1333901785.db2.gz WKGYVICGEUENJQ-XLIONFOSSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+](CC1CC1)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325513845 1333901786 /nfs/dbraw/zinc/90/17/86/1333901786.db2.gz WKGYVICGEUENJQ-XLIONFOSSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+](CC1CC1)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001325513845 1333901789 /nfs/dbraw/zinc/90/17/89/1333901789.db2.gz WKGYVICGEUENJQ-XLIONFOSSA-N 2 1 339.483 2.111 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCc2cccc(C[N@@H+](C)CC)c2)C1 ZINC001331376666 1335004617 /nfs/dbraw/zinc/00/46/17/1335004617.db2.gz XYHQMLQXIVPVEO-IBGZPJMESA-N 2 1 342.487 2.035 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCc2cccc(C[N@H+](C)CC)c2)C1 ZINC001331376666 1335004618 /nfs/dbraw/zinc/00/46/18/1335004618.db2.gz XYHQMLQXIVPVEO-IBGZPJMESA-N 2 1 342.487 2.035 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cccc(C[NH+](C)CC)c2)C1 ZINC001331376666 1335004621 /nfs/dbraw/zinc/00/46/21/1335004621.db2.gz XYHQMLQXIVPVEO-IBGZPJMESA-N 2 1 342.487 2.035 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(C[NH+](C)CC)c2)C1 ZINC001331376666 1335004624 /nfs/dbraw/zinc/00/46/24/1335004624.db2.gz XYHQMLQXIVPVEO-IBGZPJMESA-N 2 1 342.487 2.035 20 30 EEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200636388 1338483960 /nfs/dbraw/zinc/48/39/60/1338483960.db2.gz ZFEVPKPHDARHKR-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200722384 1338550283 /nfs/dbraw/zinc/55/02/83/1338550283.db2.gz WJKQWAZPKSMFRM-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001574925003 1343712713 /nfs/dbraw/zinc/71/27/13/1343712713.db2.gz FATVYYNHIFIUGR-SJORKVTESA-N 2 1 344.507 2.342 20 30 EEEDMP N#Cc1cccc(C2([NH2+]Cc3cc(C4C[NH2+]C4)no3)CCOCC2)c1 ZINC001580076465 1344467440 /nfs/dbraw/zinc/46/74/40/1344467440.db2.gz XNXILVRUSFKHPP-UHFFFAOYSA-N 2 1 338.411 2.029 20 30 EEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202148469 1368881260 /nfs/dbraw/zinc/88/12/60/1368881260.db2.gz VPMZPJCOVUNQAR-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001356076403 1373189464 /nfs/dbraw/zinc/18/94/64/1373189464.db2.gz VVPZEMRDNNHNDM-MRXNPFEDSA-N 2 1 332.496 2.198 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001356076403 1373189467 /nfs/dbraw/zinc/18/94/67/1373189467.db2.gz VVPZEMRDNNHNDM-MRXNPFEDSA-N 2 1 332.496 2.198 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001367058812 1374090733 /nfs/dbraw/zinc/09/07/33/1374090733.db2.gz AUCMYGNKGVREGW-MOPGFXCFSA-N 2 1 342.487 2.177 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001376568484 1378601059 /nfs/dbraw/zinc/60/10/59/1378601059.db2.gz DATNSSIJFDMILE-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001376568484 1378601061 /nfs/dbraw/zinc/60/10/61/1378601061.db2.gz DATNSSIJFDMILE-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001376568484 1378601063 /nfs/dbraw/zinc/60/10/63/1378601063.db2.gz DATNSSIJFDMILE-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001376606844 1378625680 /nfs/dbraw/zinc/62/56/80/1378625680.db2.gz DURNWEZNKOZVMS-IBGZPJMESA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001377394042 1379200710 /nfs/dbraw/zinc/20/07/10/1379200710.db2.gz YCRUYBHRPCEGFH-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001377394042 1379200717 /nfs/dbraw/zinc/20/07/17/1379200717.db2.gz YCRUYBHRPCEGFH-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001377394042 1379200724 /nfs/dbraw/zinc/20/07/24/1379200724.db2.gz YCRUYBHRPCEGFH-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NC2(C[NH2+]Cc3ccc(C#N)s3)CCCC2)C1 ZINC001378381057 1379901461 /nfs/dbraw/zinc/90/14/61/1379901461.db2.gz FRTBUXDOOQWCDX-AWEZNQCLSA-N 2 1 346.500 2.090 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001398237066 1391985471 /nfs/dbraw/zinc/98/54/71/1391985471.db2.gz SSCGAWYYDHTCOM-MOPGFXCFSA-N 2 1 342.487 2.225 20 30 EEEDMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001398237066 1391985656 /nfs/dbraw/zinc/98/56/56/1391985656.db2.gz SSCGAWYYDHTCOM-MOPGFXCFSA-N 2 1 342.487 2.225 20 30 EEEDMP C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001752910705 1406537911 /nfs/dbraw/zinc/53/79/11/1406537911.db2.gz UVGOOWWYHDNPLN-CABCVRRESA-N 2 1 327.432 2.330 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001753232446 1406722027 /nfs/dbraw/zinc/72/20/27/1406722027.db2.gz VMKGRQZPDKITJE-INIZCTEOSA-N 2 1 347.890 2.081 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)Cc2ccc(C#N)s2)C1 ZINC001400228538 1396076697 /nfs/dbraw/zinc/07/66/97/1396076697.db2.gz MSZSXPWXYIZWGC-OAHLLOKOSA-N 2 1 348.516 2.242 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001400228538 1396076704 /nfs/dbraw/zinc/07/67/04/1396076704.db2.gz MSZSXPWXYIZWGC-OAHLLOKOSA-N 2 1 348.516 2.242 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001400228538 1396076711 /nfs/dbraw/zinc/07/67/11/1396076711.db2.gz MSZSXPWXYIZWGC-OAHLLOKOSA-N 2 1 348.516 2.242 20 30 EEEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001400250464 1396108423 /nfs/dbraw/zinc/10/84/23/1396108423.db2.gz XKIDGNJZJVMPEZ-UHFFFAOYSA-N 2 1 327.900 2.251 20 30 EEEDMP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCC=C)CC1 ZINC001754638956 1406937520 /nfs/dbraw/zinc/93/75/20/1406937520.db2.gz QFKUTNXHOSHCIR-SFHVURJKSA-N 2 1 331.504 2.363 20 30 EEEDMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1F)NC(=O)C[NH+](C)C1CCC1 ZINC001422835732 1400219192 /nfs/dbraw/zinc/21/91/92/1400219192.db2.gz PEMUREVQTLMUFQ-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1F)NC(=O)C[NH+](C)C1CCC1 ZINC001422835732 1400219196 /nfs/dbraw/zinc/21/91/96/1400219196.db2.gz PEMUREVQTLMUFQ-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](C[NH+](C)Cc1ccc(C#N)cc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001422835732 1400219197 /nfs/dbraw/zinc/21/91/97/1400219197.db2.gz PEMUREVQTLMUFQ-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](C[NH+](C)Cc1ccc(C#N)cc1F)NC(=O)C[N@@H+](C)C1CCC1 ZINC001422835732 1400219200 /nfs/dbraw/zinc/21/92/00/1400219200.db2.gz PEMUREVQTLMUFQ-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001755707232 1407760155 /nfs/dbraw/zinc/76/01/55/1407760155.db2.gz FQZFANONQWMVHC-GBESFXJTSA-N 2 1 342.487 2.212 20 30 EEEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001755721507 1407780863 /nfs/dbraw/zinc/78/08/63/1407780863.db2.gz BOGCSZSAFOEIEX-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCOCC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729392 1410703471 /nfs/dbraw/zinc/70/34/71/1410703471.db2.gz DPASIULPXOWIRR-UHFFFAOYSA-N 2 1 348.491 2.084 20 30 EEEDMP C=CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001075410487 759376350 /nfs/dbraw/zinc/37/63/50/759376350.db2.gz CODAWNQOIOWLBA-AZUAARDMSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC001075453894 760706337 /nfs/dbraw/zinc/70/63/37/760706337.db2.gz FRWVYPGOYNJFPR-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104793959 765299301 /nfs/dbraw/zinc/29/93/01/765299301.db2.gz RBZWWKJHGDUYNJ-SJLPKXTDSA-N 2 1 330.476 2.069 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530370 782631248 /nfs/dbraw/zinc/63/12/48/782631248.db2.gz RAXDAZQCTSBAAF-XLIONFOSSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001089408456 768832035 /nfs/dbraw/zinc/83/20/35/768832035.db2.gz AQZYTCRLSWEDAI-IRXDYDNUSA-N 2 1 337.483 2.050 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001089408456 768832049 /nfs/dbraw/zinc/83/20/49/768832049.db2.gz AQZYTCRLSWEDAI-IRXDYDNUSA-N 2 1 337.483 2.050 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCF)CC(C)(C)C1 ZINC001089408456 768832061 /nfs/dbraw/zinc/83/20/61/768832061.db2.gz AQZYTCRLSWEDAI-IRXDYDNUSA-N 2 1 337.483 2.050 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCF)CC(C)(C)C1 ZINC001089408456 768832074 /nfs/dbraw/zinc/83/20/74/768832074.db2.gz AQZYTCRLSWEDAI-IRXDYDNUSA-N 2 1 337.483 2.050 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089417180 768920185 /nfs/dbraw/zinc/92/01/85/768920185.db2.gz VZRKLCOLPVEZLG-QGZVFWFLSA-N 2 1 331.504 2.102 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540195 770171001 /nfs/dbraw/zinc/17/10/01/770171001.db2.gz SHBZQFCMFZLMPZ-MRXNPFEDSA-N 2 1 342.487 2.391 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081810 782879220 /nfs/dbraw/zinc/87/92/20/782879220.db2.gz GGGLAPNFRNCFHI-NXOAAHMSSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081810 782879235 /nfs/dbraw/zinc/87/92/35/782879235.db2.gz GGGLAPNFRNCFHI-NXOAAHMSSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081810 782879240 /nfs/dbraw/zinc/87/92/40/782879240.db2.gz GGGLAPNFRNCFHI-NXOAAHMSSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081810 782879246 /nfs/dbraw/zinc/87/92/46/782879246.db2.gz GGGLAPNFRNCFHI-NXOAAHMSSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980216943 774128175 /nfs/dbraw/zinc/12/81/75/774128175.db2.gz SMISBXCXHQJBCP-KSZLIROESA-N 2 1 331.504 2.265 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089870021 783166799 /nfs/dbraw/zinc/16/67/99/783166799.db2.gz PLKUETWDIFKYMO-NMLBUPMWSA-N 2 1 345.531 2.463 20 30 EEEDMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001127685317 778831652 /nfs/dbraw/zinc/83/16/52/778831652.db2.gz MXDIDXKFHAJCQG-KRWDZBQOSA-N 2 1 338.455 2.154 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163811 779183174 /nfs/dbraw/zinc/18/31/74/779183174.db2.gz VEOQKFWHGJCMGP-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306263 779659183 /nfs/dbraw/zinc/65/91/83/779659183.db2.gz OSIWPRPLCFVPRD-UKAVVXHISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982306263 779659186 /nfs/dbraw/zinc/65/91/86/779659186.db2.gz OSIWPRPLCFVPRD-UKAVVXHISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982306263 779659188 /nfs/dbraw/zinc/65/91/88/779659188.db2.gz OSIWPRPLCFVPRD-UKAVVXHISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793781 781609531 /nfs/dbraw/zinc/60/95/31/781609531.db2.gz QWUBTHGQAYPRQV-NLWGTHIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793781 781609541 /nfs/dbraw/zinc/60/95/41/781609541.db2.gz QWUBTHGQAYPRQV-NLWGTHIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793781 781609548 /nfs/dbraw/zinc/60/95/48/781609548.db2.gz QWUBTHGQAYPRQV-NLWGTHIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089893941 783782493 /nfs/dbraw/zinc/78/24/93/783782493.db2.gz QCYQNAOITAAUEY-OKYOBFRVSA-N 2 1 343.515 2.217 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001035194934 784086273 /nfs/dbraw/zinc/08/62/73/784086273.db2.gz JADZVXYDLZPEEL-QVNOTHCHSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001035194934 784086282 /nfs/dbraw/zinc/08/62/82/784086282.db2.gz JADZVXYDLZPEEL-QVNOTHCHSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C/C=C/Cl)C2)CC1 ZINC001035194934 784086286 /nfs/dbraw/zinc/08/62/86/784086286.db2.gz JADZVXYDLZPEEL-QVNOTHCHSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C/C=C/Cl)C2)CC1 ZINC001035194934 784086292 /nfs/dbraw/zinc/08/62/92/784086292.db2.gz JADZVXYDLZPEEL-QVNOTHCHSA-N 2 1 349.906 2.151 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135860365 784647975 /nfs/dbraw/zinc/64/79/75/784647975.db2.gz ATFMZLRKFOBWAA-LSDHHAIUSA-N 2 1 348.466 2.412 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170871683 784815586 /nfs/dbraw/zinc/81/55/86/784815586.db2.gz QUYYPBLVHRBYRM-FGTMMUONSA-N 2 1 339.524 2.184 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035705515 784986533 /nfs/dbraw/zinc/98/65/33/784986533.db2.gz DYWGJIQIRTVVEB-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947853924 789110629 /nfs/dbraw/zinc/11/06/29/789110629.db2.gz XZFJZBOPJPNZNV-HZPDHXFCSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947853924 789110631 /nfs/dbraw/zinc/11/06/31/789110631.db2.gz XZFJZBOPJPNZNV-HZPDHXFCSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112285488 789497036 /nfs/dbraw/zinc/49/70/36/789497036.db2.gz ZGGKIYWHPSRUMZ-UXLLHSPISA-N 2 1 325.884 2.051 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000923559902 789770515 /nfs/dbraw/zinc/77/05/15/789770515.db2.gz LSRXJQRJPBCMAZ-VQTJNVASSA-N 2 1 339.483 2.080 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000923559902 789770522 /nfs/dbraw/zinc/77/05/22/789770522.db2.gz LSRXJQRJPBCMAZ-VQTJNVASSA-N 2 1 339.483 2.080 20 30 EEEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997828233 791242945 /nfs/dbraw/zinc/24/29/45/791242945.db2.gz GZZDOGIKUFPWOL-PKOBYXMFSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)C)C2 ZINC001147736750 791937329 /nfs/dbraw/zinc/93/73/29/791937329.db2.gz HYKIREUYWCSQQN-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC(C)C)C2 ZINC001147736750 791937331 /nfs/dbraw/zinc/93/73/31/791937331.db2.gz HYKIREUYWCSQQN-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)C)C2 ZINC001147736750 791937335 /nfs/dbraw/zinc/93/73/35/791937335.db2.gz HYKIREUYWCSQQN-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)C)C2 ZINC001147736750 791937338 /nfs/dbraw/zinc/93/73/38/791937338.db2.gz HYKIREUYWCSQQN-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)[C@@H]2C)CC1 ZINC001089059913 792023481 /nfs/dbraw/zinc/02/34/81/792023481.db2.gz IIDIAZHYYNLWJD-XLIONFOSSA-N 2 1 343.515 2.411 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C(F)(F)F ZINC000998284380 792463794 /nfs/dbraw/zinc/46/37/94/792463794.db2.gz YJHOWMLSHMJLCM-KGLIPLIRSA-N 2 1 344.381 2.137 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737959 792598795 /nfs/dbraw/zinc/59/87/95/792598795.db2.gz SOEVXWAISVLQEL-GGPKGHCWSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737959 792598799 /nfs/dbraw/zinc/59/87/99/792598799.db2.gz SOEVXWAISVLQEL-GGPKGHCWSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737959 792598803 /nfs/dbraw/zinc/59/88/03/792598803.db2.gz SOEVXWAISVLQEL-GGPKGHCWSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738402 792601391 /nfs/dbraw/zinc/60/13/91/792601391.db2.gz WWYUOMJQVVSYCS-GJYPPUQNSA-N 2 1 328.460 2.117 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738402 792601400 /nfs/dbraw/zinc/60/14/00/792601400.db2.gz WWYUOMJQVVSYCS-GJYPPUQNSA-N 2 1 328.460 2.117 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804635 793276609 /nfs/dbraw/zinc/27/66/09/793276609.db2.gz OZFSVEJWFMEQHH-UZLBHIALSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804635 793276615 /nfs/dbraw/zinc/27/66/15/793276615.db2.gz OZFSVEJWFMEQHH-UZLBHIALSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804635 793276622 /nfs/dbraw/zinc/27/66/22/793276622.db2.gz OZFSVEJWFMEQHH-UZLBHIALSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091880029 793340938 /nfs/dbraw/zinc/34/09/38/793340938.db2.gz XGPNQWZVAQFJJO-GGPKGHCWSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014903 793508316 /nfs/dbraw/zinc/50/83/16/793508316.db2.gz GPUHMFFJOLRGHA-XLIONFOSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014903 793508321 /nfs/dbraw/zinc/50/83/21/793508321.db2.gz GPUHMFFJOLRGHA-XLIONFOSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014903 793508326 /nfs/dbraw/zinc/50/83/26/793508326.db2.gz GPUHMFFJOLRGHA-XLIONFOSSA-N 2 1 333.520 2.465 20 30 EEEDMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000998995726 793648452 /nfs/dbraw/zinc/64/84/52/793648452.db2.gz UDQBYYKJIGCXRH-ACBHZAAOSA-N 2 1 340.471 2.122 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303157 793778874 /nfs/dbraw/zinc/77/88/74/793778874.db2.gz VUYBJYDUQGPSIR-SBHAEUEKSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001092689388 794263460 /nfs/dbraw/zinc/26/34/60/794263460.db2.gz KTZHXUZNGRCCDR-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001092689388 794263465 /nfs/dbraw/zinc/26/34/65/794263465.db2.gz KTZHXUZNGRCCDR-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001092689388 794263467 /nfs/dbraw/zinc/26/34/67/794263467.db2.gz KTZHXUZNGRCCDR-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001092689388 794263472 /nfs/dbraw/zinc/26/34/72/794263472.db2.gz KTZHXUZNGRCCDR-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000999443836 794473383 /nfs/dbraw/zinc/47/33/83/794473383.db2.gz UZGMLDMIVKHBFB-GMNCBBECSA-N 2 1 327.472 2.097 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106151261 795127878 /nfs/dbraw/zinc/12/78/78/795127878.db2.gz OIHCVHWJQJOBAN-BRWVUGGUSA-N 2 1 330.476 2.104 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834408 795338866 /nfs/dbraw/zinc/33/88/66/795338866.db2.gz JNNNWWOMZVTRIO-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834408 795338874 /nfs/dbraw/zinc/33/88/74/795338874.db2.gz JNNNWWOMZVTRIO-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574586 795863469 /nfs/dbraw/zinc/86/34/69/795863469.db2.gz KZPQIMWINZZFJP-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679485 796313719 /nfs/dbraw/zinc/31/37/19/796313719.db2.gz HTCONSJFHHGAQQ-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679485 796313723 /nfs/dbraw/zinc/31/37/23/796313723.db2.gz HTCONSJFHHGAQQ-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172308819 796950805 /nfs/dbraw/zinc/95/08/05/796950805.db2.gz ZZHLIUMQHILTGJ-INIZCTEOSA-N 2 1 331.460 2.306 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994118544 797301318 /nfs/dbraw/zinc/30/13/18/797301318.db2.gz VRILIUJDJPLRJF-WMLDXEAASA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994118544 797301326 /nfs/dbraw/zinc/30/13/26/797301326.db2.gz VRILIUJDJPLRJF-WMLDXEAASA-N 2 1 325.416 2.036 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346580 798160017 /nfs/dbraw/zinc/16/00/17/798160017.db2.gz QWYOJRZONMSLJR-ZHALLVOQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346580 798160019 /nfs/dbraw/zinc/16/00/19/798160019.db2.gz QWYOJRZONMSLJR-ZHALLVOQSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346580 798160021 /nfs/dbraw/zinc/16/00/21/798160021.db2.gz QWYOJRZONMSLJR-ZHALLVOQSA-N 2 1 331.504 2.360 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089391417 798330438 /nfs/dbraw/zinc/33/04/38/798330438.db2.gz LTYZGOYFADGMPC-FGTMMUONSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089391417 798330443 /nfs/dbraw/zinc/33/04/43/798330443.db2.gz LTYZGOYFADGMPC-FGTMMUONSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089391417 798330448 /nfs/dbraw/zinc/33/04/48/798330448.db2.gz LTYZGOYFADGMPC-FGTMMUONSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405802 798414830 /nfs/dbraw/zinc/41/48/30/798414830.db2.gz DXINUZSRNYKHMC-JKSUJKDBSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405802 798414835 /nfs/dbraw/zinc/41/48/35/798414835.db2.gz DXINUZSRNYKHMC-JKSUJKDBSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049466 798638633 /nfs/dbraw/zinc/63/86/33/798638633.db2.gz BZWAJLARJXUWDE-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP C[N@H+](CC(=O)NCCC[NH2+]CC#Cc1ccccc1)Cc1ccccc1 ZINC001177344305 798877904 /nfs/dbraw/zinc/87/79/04/798877904.db2.gz DIOFVDMOAFTFQA-UHFFFAOYSA-N 2 1 349.478 2.266 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]CC#Cc1ccccc1)Cc1ccccc1 ZINC001177344305 798877911 /nfs/dbraw/zinc/87/79/11/798877911.db2.gz DIOFVDMOAFTFQA-UHFFFAOYSA-N 2 1 349.478 2.266 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001177415594 798933154 /nfs/dbraw/zinc/93/31/54/798933154.db2.gz DZXHZDVQHIWODT-GOSISDBHSA-N 2 1 333.520 2.350 20 30 EEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001177467050 798952262 /nfs/dbraw/zinc/95/22/62/798952262.db2.gz ROBIVXNGMXPDAC-LJQANCHMSA-N 2 1 333.520 2.350 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001212495284 799150771 /nfs/dbraw/zinc/15/07/71/799150771.db2.gz BGAHLLYAXIPGJT-QZTJIDSGSA-N 2 1 342.443 2.038 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=C)Cl ZINC001178719962 799579422 /nfs/dbraw/zinc/57/94/22/799579422.db2.gz WYLGKSCQADVWFM-INIZCTEOSA-N 2 1 325.884 2.103 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=C)Cl ZINC001178719962 799579425 /nfs/dbraw/zinc/57/94/25/799579425.db2.gz WYLGKSCQADVWFM-INIZCTEOSA-N 2 1 325.884 2.103 20 30 EEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001178693243 799588852 /nfs/dbraw/zinc/58/88/52/799588852.db2.gz MLJVRQFZNSPHCI-SFHVURJKSA-N 2 1 349.523 2.046 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085377142 800427647 /nfs/dbraw/zinc/42/76/47/800427647.db2.gz JQFBPFIXCWLUDP-QZTJIDSGSA-N 2 1 339.443 2.474 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c(n3)CCCC4)CC[C@@H]2C1 ZINC000946598106 801788744 /nfs/dbraw/zinc/78/87/44/801788744.db2.gz XUBSQDWYUPXWOD-CALCHBBNSA-N 2 1 342.487 2.118 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004538794 802323697 /nfs/dbraw/zinc/32/36/97/802323697.db2.gz ABDZOSKAMZLZKX-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662639 802723618 /nfs/dbraw/zinc/72/36/18/802723618.db2.gz FSZVUHWUAZJLJX-HDICACEKSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086484607 803081304 /nfs/dbraw/zinc/08/13/04/803081304.db2.gz GEVCNAMCZIXAFB-OWYHZJEWSA-N 2 1 327.472 2.002 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419766 803510902 /nfs/dbraw/zinc/51/09/02/803510902.db2.gz QRFUWGIUTBADPU-LJQANCHMSA-N 2 1 337.508 2.036 20 30 EEEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001108725811 804405527 /nfs/dbraw/zinc/40/55/27/804405527.db2.gz LKGRKCBIFHTDGV-ULQDDVLXSA-N 2 1 342.487 2.307 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001442857332 1097250520 /nfs/dbraw/zinc/25/05/20/1097250520.db2.gz AAVSDHLLEANWMZ-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+](CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001442857332 1097250524 /nfs/dbraw/zinc/25/05/24/1097250524.db2.gz AAVSDHLLEANWMZ-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001442857332 1097250530 /nfs/dbraw/zinc/25/05/30/1097250530.db2.gz AAVSDHLLEANWMZ-CQSZACIVSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001443272807 1097756149 /nfs/dbraw/zinc/75/61/49/1097756149.db2.gz PQWRPEBVAYTWHS-MRXNPFEDSA-N 2 1 327.900 2.443 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(C#N)c1 ZINC001444978681 1100105572 /nfs/dbraw/zinc/10/55/72/1100105572.db2.gz FKZQPWQVPRKNIE-LJQANCHMSA-N 2 1 342.487 2.321 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cc(C#N)ccc2F)CCC1 ZINC001447250600 1102297686 /nfs/dbraw/zinc/29/76/86/1102297686.db2.gz OAHDMSQWLVWLOO-UHFFFAOYSA-N 2 1 346.450 2.168 20 30 EEEDMP C=C(Br)CN(C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001447339900 1102477960 /nfs/dbraw/zinc/47/79/60/1102477960.db2.gz IWLBUHZLFBOSGY-CQSZACIVSA-N 2 1 346.313 2.160 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C[C@H]1C ZINC001499852064 1112513126 /nfs/dbraw/zinc/51/31/26/1112513126.db2.gz CYCPNTULRYDKIT-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000491486928 533163741 /nfs/dbraw/zinc/16/37/41/533163741.db2.gz ZGPPMUDVYCWOHI-LJQANCHMSA-N 2 1 327.472 2.018 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001087700009 782091247 /nfs/dbraw/zinc/09/12/47/782091247.db2.gz WIWJRIXQHWSXJS-YHUYYLMFSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001087700009 782091248 /nfs/dbraw/zinc/09/12/48/782091248.db2.gz WIWJRIXQHWSXJS-YHUYYLMFSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087700009 782091258 /nfs/dbraw/zinc/09/12/58/782091258.db2.gz WIWJRIXQHWSXJS-YHUYYLMFSA-N 2 1 327.900 2.438 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087700009 782091265 /nfs/dbraw/zinc/09/12/65/782091265.db2.gz WIWJRIXQHWSXJS-YHUYYLMFSA-N 2 1 327.900 2.438 20 30 EEEDMP CCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc(C#N)cc1 ZINC000047740135 462819312 /nfs/dbraw/zinc/81/93/12/462819312.db2.gz VJODYPDODRCMKM-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000491248407 468333731 /nfs/dbraw/zinc/33/37/31/468333731.db2.gz BTSYEABYGADONL-SREVYHEPSA-N 2 1 347.422 2.357 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1OC(F)F ZINC000276325345 464890464 /nfs/dbraw/zinc/89/04/64/464890464.db2.gz DYJXEGQTKJBFSP-CQSZACIVSA-N 2 1 340.418 2.219 20 30 EEEDMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000329997065 465501380 /nfs/dbraw/zinc/50/13/80/465501380.db2.gz PXCIRQKVOFINKM-UHFFFAOYSA-N 2 1 333.480 2.073 20 30 EEEDMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)CC2)c1 ZINC000330131406 465543605 /nfs/dbraw/zinc/54/36/05/465543605.db2.gz KWWGWOQOQPDRSS-IAGOWNOFSA-N 2 1 345.491 2.155 20 30 EEEDMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@H]3C)CC2)c1 ZINC000330131406 465543608 /nfs/dbraw/zinc/54/36/08/465543608.db2.gz KWWGWOQOQPDRSS-IAGOWNOFSA-N 2 1 345.491 2.155 20 30 EEEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000330276930 465595161 /nfs/dbraw/zinc/59/51/61/465595161.db2.gz NPIFNSLDZBNKTN-HZPDHXFCSA-N 2 1 331.464 2.062 20 30 EEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)C(C)C ZINC000344278305 465601331 /nfs/dbraw/zinc/60/13/31/465601331.db2.gz FVAFZHUYASELPD-RCCFBDPRSA-N 2 1 336.524 2.467 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)c(OC)c1 ZINC000349065111 465946659 /nfs/dbraw/zinc/94/66/59/465946659.db2.gz XNCBQQHRYNDUHC-IBGZPJMESA-N 2 1 344.503 2.415 20 30 EEEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000367199516 466186613 /nfs/dbraw/zinc/18/66/13/466186613.db2.gz KQMCGBSYYIUETH-UHFFFAOYSA-N 2 1 326.444 2.305 20 30 EEEDMP N#CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000424193610 467000644 /nfs/dbraw/zinc/00/06/44/467000644.db2.gz QYBFTJIOZIFQBN-IBGZPJMESA-N 2 1 342.487 2.175 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000584108679 468800396 /nfs/dbraw/zinc/80/03/96/468800396.db2.gz NUHRSHAGRRJDFX-RYQLBKOJSA-N 2 1 348.487 2.236 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2OC)CC1 ZINC000584286276 468835993 /nfs/dbraw/zinc/83/59/93/468835993.db2.gz ALVGSONDTPCDED-LJQANCHMSA-N 2 1 348.487 2.203 20 30 EEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000602075209 469175485 /nfs/dbraw/zinc/17/54/85/469175485.db2.gz WQNPIEHAAABOIM-UHFFFAOYSA-N 2 1 344.503 2.426 20 30 EEEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N(C)CCC#N ZINC000599657316 469327543 /nfs/dbraw/zinc/32/75/43/469327543.db2.gz FOGKZCKDZBERMM-MRXNPFEDSA-N 2 1 330.476 2.331 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCC2)CC1 ZINC000969155491 674643066 /nfs/dbraw/zinc/64/30/66/674643066.db2.gz ACKNSHPDCPVSKO-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000970795791 676156518 /nfs/dbraw/zinc/15/65/18/676156518.db2.gz GQQLRBOFXUBTLY-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039249891 676266461 /nfs/dbraw/zinc/26/64/61/676266461.db2.gz FNYIMBURIWYHRI-MOPGFXCFSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972409431 678699266 /nfs/dbraw/zinc/69/92/66/678699266.db2.gz OKACXFLGCYUCSC-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972409431 678699270 /nfs/dbraw/zinc/69/92/70/678699270.db2.gz OKACXFLGCYUCSC-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972409431 678699273 /nfs/dbraw/zinc/69/92/73/678699273.db2.gz OKACXFLGCYUCSC-ICSRJNTNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023367333 679275285 /nfs/dbraw/zinc/27/52/85/679275285.db2.gz YOGWYZOHTZBJFD-HZPDHXFCSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023367333 679275286 /nfs/dbraw/zinc/27/52/86/679275286.db2.gz YOGWYZOHTZBJFD-HZPDHXFCSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023367333 679275287 /nfs/dbraw/zinc/27/52/87/679275287.db2.gz YOGWYZOHTZBJFD-HZPDHXFCSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023367333 679275288 /nfs/dbraw/zinc/27/52/88/679275288.db2.gz YOGWYZOHTZBJFD-HZPDHXFCSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000972583497 679354105 /nfs/dbraw/zinc/35/41/05/679354105.db2.gz WBTGQQHYEHGAAJ-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000972583497 679354108 /nfs/dbraw/zinc/35/41/08/679354108.db2.gz WBTGQQHYEHGAAJ-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000972583497 679354109 /nfs/dbraw/zinc/35/41/09/679354109.db2.gz WBTGQQHYEHGAAJ-UYAOXDASSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588581 679397373 /nfs/dbraw/zinc/39/73/73/679397373.db2.gz FEMSJNOYKGBWRG-LJQANCHMSA-N 2 1 341.499 2.256 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023761778 679566578 /nfs/dbraw/zinc/56/65/78/679566578.db2.gz JCTPGUGTHSFMKC-JKSUJKDBSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023761778 679566581 /nfs/dbraw/zinc/56/65/81/679566581.db2.gz JCTPGUGTHSFMKC-JKSUJKDBSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761778 679566586 /nfs/dbraw/zinc/56/65/86/679566586.db2.gz JCTPGUGTHSFMKC-JKSUJKDBSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761778 679566590 /nfs/dbraw/zinc/56/65/90/679566590.db2.gz JCTPGUGTHSFMKC-JKSUJKDBSA-N 2 1 327.900 2.442 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024987824 681674087 /nfs/dbraw/zinc/67/40/87/681674087.db2.gz WDSWWCAFHXRDNA-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024987824 681674091 /nfs/dbraw/zinc/67/40/91/681674091.db2.gz WDSWWCAFHXRDNA-MOPGFXCFSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642592 681950847 /nfs/dbraw/zinc/95/08/47/681950847.db2.gz RRIHLZPJMNUALH-UKAVVXHISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982642592 681950851 /nfs/dbraw/zinc/95/08/51/681950851.db2.gz RRIHLZPJMNUALH-UKAVVXHISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C[C@@]2(C)C1 ZINC000982642592 681950855 /nfs/dbraw/zinc/95/08/55/681950855.db2.gz RRIHLZPJMNUALH-UKAVVXHISA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025240064 682296079 /nfs/dbraw/zinc/29/60/79/682296079.db2.gz KWQUUIVGMMQSMP-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025240064 682296082 /nfs/dbraw/zinc/29/60/82/682296082.db2.gz KWQUUIVGMMQSMP-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001026283726 684190617 /nfs/dbraw/zinc/19/06/17/684190617.db2.gz LRGJAHZWIGGYTE-CWRNSKLLSA-N 2 1 325.884 2.050 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCC2)CC1 ZINC001029596158 686462518 /nfs/dbraw/zinc/46/25/18/686462518.db2.gz BRLUWIMXLDQFFI-BGYRXZFFSA-N 2 1 343.515 2.197 20 30 EEEDMP CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000985492045 687029587 /nfs/dbraw/zinc/02/95/87/687029587.db2.gz KKTGCSSITXRXBN-LJQANCHMSA-N 2 1 342.487 2.321 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431135 1186870190 /nfs/dbraw/zinc/87/01/90/1186870190.db2.gz JMMIDFYDNAUYJV-MOPGFXCFSA-N 2 1 327.472 2.283 20 30 EEEDMP C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001105446497 1187198901 /nfs/dbraw/zinc/19/89/01/1187198901.db2.gz MNAZBRSMWYHERJ-TYKWCNGQSA-N 2 1 341.499 2.158 20 30 EEEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001105563924 1188179940 /nfs/dbraw/zinc/17/99/40/1188179940.db2.gz UCKNCYXCHYWJJP-RBUKOAKNSA-N 2 1 345.531 2.493 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001168321159 1188290850 /nfs/dbraw/zinc/29/08/50/1188290850.db2.gz ZVFKRKSSRLECBB-UHFFFAOYSA-N 2 1 342.487 2.275 20 30 EEEDMP C=CCN1c2ccccc2[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273030171 1194337097 /nfs/dbraw/zinc/33/70/97/1194337097.db2.gz MAJGJTBFXLYCAP-FQEVSTJZSA-N 2 1 325.456 2.162 20 30 EEEDMP C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001273101069 1194383132 /nfs/dbraw/zinc/38/31/32/1194383132.db2.gz MYFOFDHZSONNSP-FQEVSTJZSA-N 2 1 347.503 2.136 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001034046986 1195699249 /nfs/dbraw/zinc/69/92/49/1195699249.db2.gz WYBOXENXYYYJAW-QZTJIDSGSA-N 2 1 337.483 2.003 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312042 1196081416 /nfs/dbraw/zinc/08/14/16/1196081416.db2.gz NHXOHBMDKPDMHL-MRXNPFEDSA-N 2 1 330.476 2.309 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312042 1196081418 /nfs/dbraw/zinc/08/14/18/1196081418.db2.gz NHXOHBMDKPDMHL-MRXNPFEDSA-N 2 1 330.476 2.309 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001034612012 1196435161 /nfs/dbraw/zinc/43/51/61/1196435161.db2.gz OGQNTGBIGWLISA-ZQIUZPCESA-N 2 1 346.500 2.231 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034962240 1196943361 /nfs/dbraw/zinc/94/33/61/1196943361.db2.gz HFRBPMVBYAIWJC-MOPGFXCFSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034962240 1196943365 /nfs/dbraw/zinc/94/33/65/1196943365.db2.gz HFRBPMVBYAIWJC-MOPGFXCFSA-N 2 1 343.515 2.245 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H]1C ZINC001410853997 1198505364 /nfs/dbraw/zinc/50/53/64/1198505364.db2.gz LAYMPZCBFGJBOI-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132142165 1199375830 /nfs/dbraw/zinc/37/58/30/1199375830.db2.gz YVUGPWNEGLECNI-SJORKVTESA-N 2 1 330.476 2.453 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001134758965 1199795389 /nfs/dbraw/zinc/79/53/89/1199795389.db2.gz DBEOACVESSCDNM-LJQANCHMSA-N 2 1 345.462 2.146 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001132986748 1200279460 /nfs/dbraw/zinc/27/94/60/1200279460.db2.gz MVLJPLOKZUJZHH-DLBZAZTESA-N 2 1 344.503 2.412 20 30 EEEDMP C=C(C)COc1ccccc1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001275621831 1205449030 /nfs/dbraw/zinc/44/90/30/1205449030.db2.gz ZZVUWUAVSYCAAA-UHFFFAOYSA-N 2 1 329.488 2.321 20 30 EEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001276090895 1205774985 /nfs/dbraw/zinc/77/49/85/1205774985.db2.gz HKTUXFQEQJRWBX-PMACEKPBSA-N 2 1 329.488 2.462 20 30 EEEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111151485 1208291882 /nfs/dbraw/zinc/29/18/82/1208291882.db2.gz CPXVRVCIXWGSQG-QRVBRYPASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111151485 1208291883 /nfs/dbraw/zinc/29/18/83/1208291883.db2.gz CPXVRVCIXWGSQG-QRVBRYPASA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948985470 1209490083 /nfs/dbraw/zinc/49/00/83/1209490083.db2.gz DZOJSGMJQDKHMQ-HKUYNNGSSA-N 2 1 327.472 2.230 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948985470 1209490084 /nfs/dbraw/zinc/49/00/84/1209490084.db2.gz DZOJSGMJQDKHMQ-HKUYNNGSSA-N 2 1 327.472 2.230 20 30 EEEDMP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948985470 1209490085 /nfs/dbraw/zinc/49/00/85/1209490085.db2.gz DZOJSGMJQDKHMQ-HKUYNNGSSA-N 2 1 327.472 2.230 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603434 1215248293 /nfs/dbraw/zinc/24/82/93/1215248293.db2.gz SDPCVGYLYOKEMR-ROUUACIJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961196863 1217083184 /nfs/dbraw/zinc/08/31/84/1217083184.db2.gz JPBDLMARNLQXDO-ROUUACIJSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961196863 1217083187 /nfs/dbraw/zinc/08/31/87/1217083187.db2.gz JPBDLMARNLQXDO-ROUUACIJSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961275014 1217122949 /nfs/dbraw/zinc/12/29/49/1217122949.db2.gz SWKSMDMZSQAFTP-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961369503 1217161458 /nfs/dbraw/zinc/16/14/58/1217161458.db2.gz YKZGYAKIFMSGKT-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961369503 1217161460 /nfs/dbraw/zinc/16/14/60/1217161460.db2.gz YKZGYAKIFMSGKT-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961369503 1217161462 /nfs/dbraw/zinc/16/14/62/1217161462.db2.gz YKZGYAKIFMSGKT-UXHICEINSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961391728 1217171829 /nfs/dbraw/zinc/17/18/29/1217171829.db2.gz KLUCJOWJUIVLJK-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000962308114 1217605905 /nfs/dbraw/zinc/60/59/05/1217605905.db2.gz ZJTOSYBPWCNTDW-VNCLNFNDSA-N 2 1 340.471 2.027 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968887678 1221646870 /nfs/dbraw/zinc/64/68/70/1221646870.db2.gz JSQDRQPNIOILJI-OALUTQOASA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000968887678 1221646873 /nfs/dbraw/zinc/64/68/73/1221646873.db2.gz JSQDRQPNIOILJI-OALUTQOASA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000968887678 1221646874 /nfs/dbraw/zinc/64/68/74/1221646874.db2.gz JSQDRQPNIOILJI-OALUTQOASA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016664405 1226749742 /nfs/dbraw/zinc/74/97/42/1226749742.db2.gz XBXOETSWBGAXTG-ROUUACIJSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001017943717 1227901379 /nfs/dbraw/zinc/90/13/79/1227901379.db2.gz GMJPNTVRZQQMCV-JTDSTZFVSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001017943717 1227901380 /nfs/dbraw/zinc/90/13/80/1227901380.db2.gz GMJPNTVRZQQMCV-JTDSTZFVSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001017943717 1227901383 /nfs/dbraw/zinc/90/13/83/1227901383.db2.gz GMJPNTVRZQQMCV-JTDSTZFVSA-N 2 1 337.483 2.450 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001017949338 1227911275 /nfs/dbraw/zinc/91/12/75/1227911275.db2.gz KZQFEPZUTFLGPQ-YESZJQIVSA-N 2 1 328.460 2.005 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001017949338 1227911278 /nfs/dbraw/zinc/91/12/78/1227911278.db2.gz KZQFEPZUTFLGPQ-YESZJQIVSA-N 2 1 328.460 2.005 20 30 EEEDMP N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)c1 ZINC001018966722 1228584673 /nfs/dbraw/zinc/58/46/73/1228584673.db2.gz QTXFHOMEQAHBQY-ZWKOTPCHSA-N 2 1 349.438 2.023 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001039133464 1230344006 /nfs/dbraw/zinc/34/40/06/1230344006.db2.gz IHWGJNOJAFJHIS-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001039133464 1230344009 /nfs/dbraw/zinc/34/40/09/1230344009.db2.gz IHWGJNOJAFJHIS-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CCC)C2)CC1 ZINC001039133464 1230344012 /nfs/dbraw/zinc/34/40/12/1230344012.db2.gz IHWGJNOJAFJHIS-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CCC)C2)CC1 ZINC001039133464 1230344016 /nfs/dbraw/zinc/34/40/16/1230344016.db2.gz IHWGJNOJAFJHIS-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167133 1230390029 /nfs/dbraw/zinc/39/00/29/1230390029.db2.gz MSCDXNYHHANHGF-HXUWFJFHSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167607 1230390820 /nfs/dbraw/zinc/39/08/20/1230390820.db2.gz YHQQZSNVHXJPGN-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039223872 1230455340 /nfs/dbraw/zinc/45/53/40/1230455340.db2.gz BJWORGBGQFYGGR-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474704 1230638114 /nfs/dbraw/zinc/63/81/14/1230638114.db2.gz VVRDJFVIIMCJJN-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474704 1230638116 /nfs/dbraw/zinc/63/81/16/1230638116.db2.gz VVRDJFVIIMCJJN-QYZOEREBSA-N 2 1 331.504 2.195 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041286317 1231495345 /nfs/dbraw/zinc/49/53/45/1231495345.db2.gz JQRSWMVMIWCVRJ-FQEVSTJZSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357143 1231518126 /nfs/dbraw/zinc/51/81/26/1231518126.db2.gz FCMKUJHPXHMETG-FPOVZHCZSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC001041368528 1231521571 /nfs/dbraw/zinc/52/15/71/1231521571.db2.gz PFEDTHIXJDXVEZ-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC001041368528 1231521573 /nfs/dbraw/zinc/52/15/73/1231521573.db2.gz PFEDTHIXJDXVEZ-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001041368528 1231521575 /nfs/dbraw/zinc/52/15/75/1231521575.db2.gz PFEDTHIXJDXVEZ-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001041368528 1231521578 /nfs/dbraw/zinc/52/15/78/1231521578.db2.gz PFEDTHIXJDXVEZ-PZJWPPBQSA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505620 1231571141 /nfs/dbraw/zinc/57/11/41/1231571141.db2.gz LBBSQIWPDKWZHN-UYAOXDASSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041681028 1231648513 /nfs/dbraw/zinc/64/85/13/1231648513.db2.gz WSUUCGMQFNOMSS-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001041681028 1231648515 /nfs/dbraw/zinc/64/85/15/1231648515.db2.gz WSUUCGMQFNOMSS-FXAWDEMLSA-N 2 1 342.487 2.254 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C/C=C/Cl)C3)C2)CC1 ZINC001041844555 1231728398 /nfs/dbraw/zinc/72/83/98/1231728398.db2.gz KZWFFBCNYZRATF-DPAQFELZSA-N 2 1 349.906 2.009 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001042376399 1232054557 /nfs/dbraw/zinc/05/45/57/1232054557.db2.gz RJQMDCMTSLGCDG-WMZOPIPTSA-N 2 1 343.471 2.291 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096019279 1233663498 /nfs/dbraw/zinc/66/34/98/1233663498.db2.gz BVZWIUVAJHIBRB-MVJTYMMSSA-N 2 1 328.460 2.052 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096019279 1233663500 /nfs/dbraw/zinc/66/35/00/1233663500.db2.gz BVZWIUVAJHIBRB-MVJTYMMSSA-N 2 1 328.460 2.052 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096019689 1233676856 /nfs/dbraw/zinc/67/68/56/1233676856.db2.gz RYVGXWVYSTYNSH-NBMJBFSESA-N 2 1 342.487 2.442 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096019689 1233676859 /nfs/dbraw/zinc/67/68/59/1233676859.db2.gz RYVGXWVYSTYNSH-NBMJBFSESA-N 2 1 342.487 2.442 20 30 EEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001045538113 1233799580 /nfs/dbraw/zinc/79/95/80/1233799580.db2.gz JQLSPUPOTOLYAO-MRXNPFEDSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045663320 1233893216 /nfs/dbraw/zinc/89/32/16/1233893216.db2.gz LTXIATJAHDJEMY-ROUUACIJSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C/C=C/Cl)CC1 ZINC001045895833 1234127829 /nfs/dbraw/zinc/12/78/29/1234127829.db2.gz PNQNBOWPAPQOQP-DLHNCCSSSA-N 2 1 349.906 2.149 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577471 1234957238 /nfs/dbraw/zinc/95/72/38/1234957238.db2.gz YGVDVBDAXCMWNP-APWZRJJASA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577471 1234957240 /nfs/dbraw/zinc/95/72/40/1234957240.db2.gz YGVDVBDAXCMWNP-APWZRJJASA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046618248 1235001259 /nfs/dbraw/zinc/00/12/59/1235001259.db2.gz CSTHBXYFISRGNW-HXUWFJFHSA-N 2 1 327.472 2.008 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583594 1238023682 /nfs/dbraw/zinc/02/36/82/1238023682.db2.gz MULKCAPGWNGOML-SWBPCFCJSA-N 2 1 345.531 2.489 20 30 EEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049060024 1239890168 /nfs/dbraw/zinc/89/01/68/1239890168.db2.gz LRRAKLSGPWMFOI-FCEWJHQRSA-N 2 1 337.483 2.165 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049060024 1239890178 /nfs/dbraw/zinc/89/01/78/1239890178.db2.gz LRRAKLSGPWMFOI-FCEWJHQRSA-N 2 1 337.483 2.165 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049060024 1239890180 /nfs/dbraw/zinc/89/01/80/1239890180.db2.gz LRRAKLSGPWMFOI-FCEWJHQRSA-N 2 1 337.483 2.165 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477926 1241072651 /nfs/dbraw/zinc/07/26/51/1241072651.db2.gz KLVLWUAEKJYOFO-MSOLQXFVSA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001049719268 1241983492 /nfs/dbraw/zinc/98/34/92/1241983492.db2.gz LKTACGPPIRCLNP-YTQUADARSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001049719268 1241983499 /nfs/dbraw/zinc/98/34/99/1241983499.db2.gz LKTACGPPIRCLNP-YTQUADARSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050051391 1242727253 /nfs/dbraw/zinc/72/72/53/1242727253.db2.gz SCTFENYURNRHGA-QKPAOTATSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050051391 1242727264 /nfs/dbraw/zinc/72/72/64/1242727264.db2.gz SCTFENYURNRHGA-QKPAOTATSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050051391 1242727270 /nfs/dbraw/zinc/72/72/70/1242727270.db2.gz SCTFENYURNRHGA-QKPAOTATSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050051391 1242727281 /nfs/dbraw/zinc/72/72/81/1242727281.db2.gz SCTFENYURNRHGA-QKPAOTATSA-N 2 1 325.884 2.002 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001050175130 1243045925 /nfs/dbraw/zinc/04/59/25/1243045925.db2.gz KZIZPGKBQCNEKT-RBUKOAKNSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218946 1243842713 /nfs/dbraw/zinc/84/27/13/1243842713.db2.gz NHHMBUXRPUZVMY-AKHDSKFASA-N 2 1 329.488 2.138 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218946 1243842720 /nfs/dbraw/zinc/84/27/20/1243842720.db2.gz NHHMBUXRPUZVMY-AKHDSKFASA-N 2 1 329.488 2.138 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097218946 1243842727 /nfs/dbraw/zinc/84/27/27/1243842727.db2.gz NHHMBUXRPUZVMY-AKHDSKFASA-N 2 1 329.488 2.138 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097218946 1243842733 /nfs/dbraw/zinc/84/27/33/1243842733.db2.gz NHHMBUXRPUZVMY-AKHDSKFASA-N 2 1 329.488 2.138 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953667 1245545574 /nfs/dbraw/zinc/54/55/74/1245545574.db2.gz FLOCPWUAXXSESY-LJQANCHMSA-N 2 1 327.472 2.356 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257223 1245581940 /nfs/dbraw/zinc/58/19/40/1245581940.db2.gz LBWMODYKAKBJDI-NUJGCVRESA-N 2 1 325.472 2.023 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300315 1245629871 /nfs/dbraw/zinc/62/98/71/1245629871.db2.gz SCGIPNCFDCNUCK-WDYCEAGBSA-N 2 1 330.476 2.327 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300315 1245629879 /nfs/dbraw/zinc/62/98/79/1245629879.db2.gz SCGIPNCFDCNUCK-WDYCEAGBSA-N 2 1 330.476 2.327 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984703 1246281395 /nfs/dbraw/zinc/28/13/95/1246281395.db2.gz HNIKVGQBXXQAIE-IXDOHACOSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984703 1246281403 /nfs/dbraw/zinc/28/14/03/1246281403.db2.gz HNIKVGQBXXQAIE-IXDOHACOSA-N 2 1 330.476 2.104 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)CO2 ZINC001053855228 1246915958 /nfs/dbraw/zinc/91/59/58/1246915958.db2.gz IGYGUWKWAWCBQA-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CO2 ZINC001053855228 1246915961 /nfs/dbraw/zinc/91/59/61/1246915961.db2.gz IGYGUWKWAWCBQA-MSOLQXFVSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129268 1247471460 /nfs/dbraw/zinc/47/14/60/1247471460.db2.gz NWBRKAQTJOUZCS-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129268 1247471462 /nfs/dbraw/zinc/47/14/62/1247471462.db2.gz NWBRKAQTJOUZCS-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129268 1247471467 /nfs/dbraw/zinc/47/14/67/1247471467.db2.gz NWBRKAQTJOUZCS-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142698 1247510677 /nfs/dbraw/zinc/51/06/77/1247510677.db2.gz GYZGWFKAKPZDHB-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142698 1247510685 /nfs/dbraw/zinc/51/06/85/1247510685.db2.gz GYZGWFKAKPZDHB-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142698 1247510692 /nfs/dbraw/zinc/51/06/92/1247510692.db2.gz GYZGWFKAKPZDHB-TZIWHRDSSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197515 1247689178 /nfs/dbraw/zinc/68/91/78/1247689178.db2.gz YDOMPHDZLNTTHV-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054197515 1247689188 /nfs/dbraw/zinc/68/91/88/1247689188.db2.gz YDOMPHDZLNTTHV-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054197515 1247689196 /nfs/dbraw/zinc/68/91/96/1247689196.db2.gz YDOMPHDZLNTTHV-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3ccnc3)ccn1)C2 ZINC001098148235 1257110073 /nfs/dbraw/zinc/11/00/73/1257110073.db2.gz ATFMEAWUANPOCH-NUJGCVRESA-N 2 1 337.427 2.179 20 30 EEEDMP C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3ccnc3)ccn1)C2 ZINC001098148235 1257110077 /nfs/dbraw/zinc/11/00/77/1257110077.db2.gz ATFMEAWUANPOCH-NUJGCVRESA-N 2 1 337.427 2.179 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185780269 1278779711 /nfs/dbraw/zinc/77/97/11/1278779711.db2.gz UWWWWGVBFGLPND-HKUYNNGSSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001185780269 1278779719 /nfs/dbraw/zinc/77/97/19/1278779719.db2.gz UWWWWGVBFGLPND-HKUYNNGSSA-N 2 1 329.488 2.379 20 30 EEEDMP C[C@@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)[NH+]1CCCCCC1 ZINC001134750016 1278010002 /nfs/dbraw/zinc/01/00/02/1278010002.db2.gz JNWCZLQCEYFJLW-HNNXBMFYSA-N 2 1 346.450 2.168 20 30 EEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644970 1280992114 /nfs/dbraw/zinc/99/21/14/1280992114.db2.gz ONNFOLHITMBHOE-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001190644970 1280992116 /nfs/dbraw/zinc/99/21/16/1280992116.db2.gz ONNFOLHITMBHOE-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001190644970 1280992119 /nfs/dbraw/zinc/99/21/19/1280992119.db2.gz ONNFOLHITMBHOE-RBUKOAKNSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001190818093 1281091296 /nfs/dbraw/zinc/09/12/96/1281091296.db2.gz OBTPGNDOPLUPDE-MSOLQXFVSA-N 2 1 348.491 2.206 20 30 EEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946585 1281722182 /nfs/dbraw/zinc/72/21/82/1281722182.db2.gz DQCGVRSTROEYLG-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191946585 1281722192 /nfs/dbraw/zinc/72/21/92/1281722192.db2.gz DQCGVRSTROEYLG-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191946585 1281722203 /nfs/dbraw/zinc/72/22/03/1281722203.db2.gz DQCGVRSTROEYLG-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194153572 1282915466 /nfs/dbraw/zinc/91/54/66/1282915466.db2.gz FTWFPQHQLSKQRW-MSOLQXFVSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194153572 1282915468 /nfs/dbraw/zinc/91/54/68/1282915468.db2.gz FTWFPQHQLSKQRW-MSOLQXFVSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194153572 1282915471 /nfs/dbraw/zinc/91/54/71/1282915471.db2.gz FTWFPQHQLSKQRW-MSOLQXFVSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001194153572 1282915474 /nfs/dbraw/zinc/91/54/74/1282915474.db2.gz FTWFPQHQLSKQRW-MSOLQXFVSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001194153572 1282915479 /nfs/dbraw/zinc/91/54/79/1282915479.db2.gz FTWFPQHQLSKQRW-MSOLQXFVSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001194430711 1283079352 /nfs/dbraw/zinc/07/93/52/1283079352.db2.gz KKHMHSUBZLKPPY-QZTJIDSGSA-N 2 1 344.459 2.080 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367281 1284050396 /nfs/dbraw/zinc/05/03/96/1284050396.db2.gz WENCFUVFOLHBRZ-UHFFFAOYSA-N 2 1 330.476 2.408 20 30 EEEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198740353 1285311704 /nfs/dbraw/zinc/31/17/04/1285311704.db2.gz CVJLDQBGONSXOL-NUJGCVRESA-N 2 1 345.487 2.358 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001488786647 1290231191 /nfs/dbraw/zinc/23/11/91/1290231191.db2.gz WJTSOZQDZVNIMH-WOVMCDHWSA-N 2 1 346.450 2.024 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110616734 1291638296 /nfs/dbraw/zinc/63/82/96/1291638296.db2.gz OWDYYMHTKJZSFB-TWMKSMIVSA-N 2 1 325.472 2.354 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213460079 1296037278 /nfs/dbraw/zinc/03/72/78/1296037278.db2.gz BSFIYUXQASUTHO-IXDOHACOSA-N 2 1 327.513 2.112 20 30 EEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734795 1296073397 /nfs/dbraw/zinc/07/33/97/1296073397.db2.gz QDJIXLBYNXCABA-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072734795 1296073403 /nfs/dbraw/zinc/07/34/03/1296073403.db2.gz QDJIXLBYNXCABA-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734795 1296073412 /nfs/dbraw/zinc/07/34/12/1296073412.db2.gz QDJIXLBYNXCABA-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855623 1296621766 /nfs/dbraw/zinc/62/17/66/1296621766.db2.gz IKTMYNWIDFBKHX-BHIYHBOVSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219064269 1297922733 /nfs/dbraw/zinc/92/27/33/1297922733.db2.gz STPJDISULDMEEG-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[NH+]1CCC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001223678115 1300221977 /nfs/dbraw/zinc/22/19/77/1300221977.db2.gz IHOMVOHSAKCQPR-UHFFFAOYSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001226774092 1301548434 /nfs/dbraw/zinc/54/84/34/1301548434.db2.gz JTIJADUCWPVUII-QRVBRYPASA-N 2 1 331.504 2.434 20 30 EEEDMP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1)C1CCC1 ZINC001227832416 1301981319 /nfs/dbraw/zinc/98/13/19/1301981319.db2.gz ILCIRZZJSHIPQK-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1)C1CCC1 ZINC001227832416 1301981321 /nfs/dbraw/zinc/98/13/21/1301981321.db2.gz ILCIRZZJSHIPQK-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228647448 1302360113 /nfs/dbraw/zinc/36/01/13/1302360113.db2.gz SYWUHBSIGJHVHU-IAGOWNOFSA-N 2 1 339.524 2.184 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162917 1302362193 /nfs/dbraw/zinc/36/21/93/1302362193.db2.gz PILMWBIMHCDKAV-IAGOWNOFSA-N 2 1 330.476 2.168 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC001228940425 1302535449 /nfs/dbraw/zinc/53/54/49/1302535449.db2.gz WJKWTLWOEUXNBF-IAGOWNOFSA-N 2 1 330.476 2.437 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001229860232 1302968586 /nfs/dbraw/zinc/96/85/86/1302968586.db2.gz NWUOBQDIMLMSCP-IAGOWNOFSA-N 2 1 348.516 2.479 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103756042 1303301149 /nfs/dbraw/zinc/30/11/49/1303301149.db2.gz WGPOCLMKPCQGLP-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196358 1303637876 /nfs/dbraw/zinc/63/78/76/1303637876.db2.gz SWZLPVKABPAHRY-QRVBRYPASA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001111816952 1303934853 /nfs/dbraw/zinc/93/48/53/1303934853.db2.gz GFIUKTXWLFTKHB-PXNSSMCTSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916630 1304079644 /nfs/dbraw/zinc/07/96/44/1304079644.db2.gz CVQQSRUXPVWYLW-PXNSSMCTSA-N 2 1 349.519 2.034 20 30 EEEDMP C(CNN=C1CCCC[C@@H]1[NH+]1CCCCCC1)C[NH+]1CCOCC1 ZINC000799489228 1305276808 /nfs/dbraw/zinc/27/68/08/1305276808.db2.gz QBMHTUSKYPCSSU-IBGZPJMESA-N 2 1 336.524 2.473 20 30 EEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115543686 1305310912 /nfs/dbraw/zinc/31/09/12/1305310912.db2.gz VUBPCPPDPUPYAD-HUUCEWRRSA-N 2 1 327.900 2.488 20 30 EEEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115598759 1305482080 /nfs/dbraw/zinc/48/20/80/1305482080.db2.gz XVGNJLOHFKQUJA-KRWDZBQOSA-N 2 1 337.508 2.082 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120432194 1309534500 /nfs/dbraw/zinc/53/45/00/1309534500.db2.gz YVEUDKLRWCNYLT-MOPGFXCFSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120432194 1309534508 /nfs/dbraw/zinc/53/45/08/1309534508.db2.gz YVEUDKLRWCNYLT-MOPGFXCFSA-N 2 1 342.487 2.308 20 30 EEEDMP Cc1ccc(F)cc1C[N@H+](C1CC[NH2+]CC1)[C@H]1CCN[C@H](C#N)C1 ZINC001246965654 1310481406 /nfs/dbraw/zinc/48/14/06/1310481406.db2.gz PTLSRWKGRFJJIW-HKUYNNGSSA-N 2 1 330.451 2.332 20 30 EEEDMP Cc1ccc(F)cc1C[N@@H+](C1CC[NH2+]CC1)[C@H]1CCN[C@H](C#N)C1 ZINC001246965654 1310481407 /nfs/dbraw/zinc/48/14/07/1310481407.db2.gz PTLSRWKGRFJJIW-HKUYNNGSSA-N 2 1 330.451 2.332 20 30 EEEDMP C#CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000830343320 1314534233 /nfs/dbraw/zinc/53/42/33/1314534233.db2.gz SLAJYYFOPFLLDD-YLJYHZDGSA-N 2 1 339.483 2.111 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150300005 1316230785 /nfs/dbraw/zinc/23/07/85/1316230785.db2.gz XAEIHSZJVIJMCH-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150394447 1316254886 /nfs/dbraw/zinc/25/48/86/1316254886.db2.gz JFFZJLQIYLJRTK-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001151352305 1316510819 /nfs/dbraw/zinc/51/08/19/1316510819.db2.gz XPRIIXRQSPTKNY-ROUUACIJSA-N 2 1 349.519 2.177 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227087 1317510865 /nfs/dbraw/zinc/51/08/65/1317510865.db2.gz UAKMEVQWXWIFGD-DLBZAZTESA-N 2 1 342.487 2.369 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227087 1317510870 /nfs/dbraw/zinc/51/08/70/1317510870.db2.gz UAKMEVQWXWIFGD-DLBZAZTESA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155227087 1317510873 /nfs/dbraw/zinc/51/08/73/1317510873.db2.gz UAKMEVQWXWIFGD-DLBZAZTESA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155227087 1317510877 /nfs/dbraw/zinc/51/08/77/1317510877.db2.gz UAKMEVQWXWIFGD-DLBZAZTESA-N 2 1 342.487 2.369 20 30 EEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155255713 1317526581 /nfs/dbraw/zinc/52/65/81/1317526581.db2.gz ZCFZYDPVXNGQHJ-GOSISDBHSA-N 2 1 329.488 2.011 20 30 EEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001155255713 1317526583 /nfs/dbraw/zinc/52/65/83/1317526583.db2.gz ZCFZYDPVXNGQHJ-GOSISDBHSA-N 2 1 329.488 2.011 20 30 EEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001155255713 1317526587 /nfs/dbraw/zinc/52/65/87/1317526587.db2.gz ZCFZYDPVXNGQHJ-GOSISDBHSA-N 2 1 329.488 2.011 20 30 EEEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001155289099 1317540016 /nfs/dbraw/zinc/54/00/16/1317540016.db2.gz JUUBDZQNESQIOS-KDOFPFPSSA-N 2 1 348.466 2.364 20 30 EEEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374355 1317983369 /nfs/dbraw/zinc/98/33/69/1317983369.db2.gz PBLTYDKZOWJSOB-SJORKVTESA-N 2 1 342.487 2.227 20 30 EEEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374355 1317983373 /nfs/dbraw/zinc/98/33/73/1317983373.db2.gz PBLTYDKZOWJSOB-SJORKVTESA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374355 1317983377 /nfs/dbraw/zinc/98/33/77/1317983377.db2.gz PBLTYDKZOWJSOB-SJORKVTESA-N 2 1 342.487 2.227 20 30 EEEDMP CC[NH+](Cc1ccccc1C#N)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374355 1317983378 /nfs/dbraw/zinc/98/33/78/1317983378.db2.gz PBLTYDKZOWJSOB-SJORKVTESA-N 2 1 342.487 2.227 20 30 EEEDMP C#CC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169466 1320090118 /nfs/dbraw/zinc/09/01/18/1320090118.db2.gz RYJAMAYKHKJNRM-INIZCTEOSA-N 2 1 328.460 2.168 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169466 1320090123 /nfs/dbraw/zinc/09/01/23/1320090123.db2.gz RYJAMAYKHKJNRM-INIZCTEOSA-N 2 1 328.460 2.168 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001160209559 1320099848 /nfs/dbraw/zinc/09/98/48/1320099848.db2.gz QLQNPZTXWBNRBN-CVEARBPZSA-N 2 1 341.446 2.005 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001160209559 1320099855 /nfs/dbraw/zinc/09/98/55/1320099855.db2.gz QLQNPZTXWBNRBN-CVEARBPZSA-N 2 1 341.446 2.005 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001161649830 1320570709 /nfs/dbraw/zinc/57/07/09/1320570709.db2.gz XXLRQRZEDFUGAQ-FQEVSTJZSA-N 2 1 341.499 2.254 20 30 EEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161722735 1320599911 /nfs/dbraw/zinc/59/99/11/1320599911.db2.gz DLDHQGYHSONZKN-UHFFFAOYSA-N 2 1 328.460 2.476 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001165332336 1321502234 /nfs/dbraw/zinc/50/22/34/1321502234.db2.gz HSOQPGNLUSFQED-HNNXBMFYSA-N 2 1 327.900 2.489 20 30 EEEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166802294 1321789884 /nfs/dbraw/zinc/78/98/84/1321789884.db2.gz JTAVAHWKVFAQSO-SFHVURJKSA-N 2 1 331.504 2.293 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001203925475 1321991683 /nfs/dbraw/zinc/99/16/83/1321991683.db2.gz PCRBYERNHKYJKQ-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001205763443 1323290872 /nfs/dbraw/zinc/29/08/72/1323290872.db2.gz RHQIUFIXHMPUSP-UHFFFAOYSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001206275173 1323443319 /nfs/dbraw/zinc/44/33/19/1323443319.db2.gz PELMVXGFNUUNQH-SFHVURJKSA-N 2 1 325.472 2.213 20 30 EEEDMP C=CCCCCCC[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209435488 1324932790 /nfs/dbraw/zinc/93/27/90/1324932790.db2.gz KMQDVCKVGRIXSP-UHFFFAOYSA-N 2 1 348.491 2.461 20 30 EEEDMP C=CCCCCCC[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209435488 1324932792 /nfs/dbraw/zinc/93/27/92/1324932792.db2.gz KMQDVCKVGRIXSP-UHFFFAOYSA-N 2 1 348.491 2.461 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209931228 1325101363 /nfs/dbraw/zinc/10/13/63/1325101363.db2.gz IURKJYUUVWRFJZ-QGZVFWFLSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001210350416 1325250995 /nfs/dbraw/zinc/25/09/95/1325250995.db2.gz RAKWHGYDRXXZFP-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001210492776 1325308883 /nfs/dbraw/zinc/30/88/83/1325308883.db2.gz CNHNVUVKMQWCPR-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001281862849 1325491822 /nfs/dbraw/zinc/49/18/22/1325491822.db2.gz SCUUMHCTWQNIGV-SJORKVTESA-N 2 1 330.476 2.391 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073633829 1370900891 /nfs/dbraw/zinc/90/08/91/1370900891.db2.gz HVFVBZVUZSLGFB-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001073633829 1370900894 /nfs/dbraw/zinc/90/08/94/1370900894.db2.gz HVFVBZVUZSLGFB-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001073633829 1370900898 /nfs/dbraw/zinc/90/08/98/1370900898.db2.gz HVFVBZVUZSLGFB-RBUKOAKNSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103643843 1371044801 /nfs/dbraw/zinc/04/48/01/1371044801.db2.gz SOARKZVXYVTUNC-VNQPRFMTSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103643843 1371044805 /nfs/dbraw/zinc/04/48/05/1371044805.db2.gz SOARKZVXYVTUNC-VNQPRFMTSA-N 2 1 327.900 2.155 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103643843 1371044809 /nfs/dbraw/zinc/04/48/09/1371044809.db2.gz SOARKZVXYVTUNC-VNQPRFMTSA-N 2 1 327.900 2.155 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001111903570 1371295589 /nfs/dbraw/zinc/29/55/89/1371295589.db2.gz DUWIEGAMWAAAHL-ICSRJNTNSA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001111903570 1371295597 /nfs/dbraw/zinc/29/55/97/1371295597.db2.gz DUWIEGAMWAAAHL-ICSRJNTNSA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001111903570 1371295604 /nfs/dbraw/zinc/29/56/04/1371295604.db2.gz DUWIEGAMWAAAHL-ICSRJNTNSA-N 2 1 333.520 2.493 20 30 EEEDMP C=C(Br)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001366879067 1374045229 /nfs/dbraw/zinc/04/52/29/1374045229.db2.gz FXPDYDKTLSLJIY-CQSZACIVSA-N 2 1 346.313 2.017 20 30 EEEDMP C=C(Br)C[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001366879067 1374045221 /nfs/dbraw/zinc/04/52/21/1374045221.db2.gz FXPDYDKTLSLJIY-CQSZACIVSA-N 2 1 346.313 2.017 20 30 EEEDMP C=C(Br)C[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001366879067 1374045223 /nfs/dbraw/zinc/04/52/23/1374045223.db2.gz FXPDYDKTLSLJIY-CQSZACIVSA-N 2 1 346.313 2.017 20 30 EEEDMP C=C(Br)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001366879067 1374045225 /nfs/dbraw/zinc/04/52/25/1374045225.db2.gz FXPDYDKTLSLJIY-CQSZACIVSA-N 2 1 346.313 2.017 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001371690423 1375582545 /nfs/dbraw/zinc/58/25/45/1375582545.db2.gz NSVPOHZXRUCGPU-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001371690423 1375582555 /nfs/dbraw/zinc/58/25/55/1375582555.db2.gz NSVPOHZXRUCGPU-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001371690423 1375582560 /nfs/dbraw/zinc/58/25/60/1375582560.db2.gz NSVPOHZXRUCGPU-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001374428613 1376807040 /nfs/dbraw/zinc/80/70/40/1376807040.db2.gz WPYKLNLONSZMOM-IBGZPJMESA-N 2 1 342.487 2.273 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001377416794 1379223343 /nfs/dbraw/zinc/22/33/43/1379223343.db2.gz RFPVWMLGKVXNMJ-RHSMWYFYSA-N 2 1 348.516 2.287 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001377416794 1379223349 /nfs/dbraw/zinc/22/33/49/1379223349.db2.gz RFPVWMLGKVXNMJ-RHSMWYFYSA-N 2 1 348.516 2.287 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001753032022 1406610505 /nfs/dbraw/zinc/61/05/05/1406610505.db2.gz HVTBHHLCWPHIOI-LJQANCHMSA-N 2 1 341.499 2.398 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1csc(C)c1 ZINC001754313186 1406889387 /nfs/dbraw/zinc/88/93/87/1406889387.db2.gz PZERLKDEBKVSPO-YOEHRIQHSA-N 2 1 333.501 2.091 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1csc(C)c1 ZINC001754313186 1406889392 /nfs/dbraw/zinc/88/93/92/1406889392.db2.gz PZERLKDEBKVSPO-YOEHRIQHSA-N 2 1 333.501 2.091 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1csc(C)c1 ZINC001754313186 1406889398 /nfs/dbraw/zinc/88/93/98/1406889398.db2.gz PZERLKDEBKVSPO-YOEHRIQHSA-N 2 1 333.501 2.091 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1csc(C)c1 ZINC001754313186 1406889404 /nfs/dbraw/zinc/88/94/04/1406889404.db2.gz PZERLKDEBKVSPO-YOEHRIQHSA-N 2 1 333.501 2.091 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001755075213 1407085558 /nfs/dbraw/zinc/08/55/58/1407085558.db2.gz BTUQVODZEXIKLT-IBGZPJMESA-N 2 1 329.488 2.447 20 30 EEEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001755075213 1407085565 /nfs/dbraw/zinc/08/55/65/1407085565.db2.gz BTUQVODZEXIKLT-IBGZPJMESA-N 2 1 329.488 2.447 20 30 EEEDMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001755075213 1407085571 /nfs/dbraw/zinc/08/55/71/1407085571.db2.gz BTUQVODZEXIKLT-IBGZPJMESA-N 2 1 329.488 2.447 20 30 EEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001755075213 1407085577 /nfs/dbraw/zinc/08/55/77/1407085577.db2.gz BTUQVODZEXIKLT-IBGZPJMESA-N 2 1 329.488 2.447 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCC2)CC[N@H+]1C ZINC001424179450 1400952212 /nfs/dbraw/zinc/95/22/12/1400952212.db2.gz PWQCVYKLNHGTKF-CZUORRHYSA-N 2 1 346.500 2.088 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001755138428 1407148254 /nfs/dbraw/zinc/14/82/54/1407148254.db2.gz MODXYIJOVZCVHF-JKSUJKDBSA-N 2 1 327.488 2.459 20 30 EEEDMP C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cccc(C#N)c1 ZINC001752039570 1406179837 /nfs/dbraw/zinc/17/98/37/1406179837.db2.gz NUFWVGDBXQDPGF-UHFFFAOYSA-N 2 1 342.487 2.371 20 30 EEEDMP C[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC001752072746 1406195433 /nfs/dbraw/zinc/19/54/33/1406195433.db2.gz HASYKMAVRYEPGL-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001755501331 1407544834 /nfs/dbraw/zinc/54/48/34/1407544834.db2.gz KOWZIWUWNHQKKE-APWZRJJASA-N 2 1 345.462 2.298 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001755501331 1407544850 /nfs/dbraw/zinc/54/48/50/1407544850.db2.gz KOWZIWUWNHQKKE-APWZRJJASA-N 2 1 345.462 2.298 20 30 EEEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001755573919 1407644259 /nfs/dbraw/zinc/64/42/59/1407644259.db2.gz VHMBCGMSIOMDRH-RBUKOAKNSA-N 2 1 327.472 2.139 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]21 ZINC001755708362 1407761475 /nfs/dbraw/zinc/76/14/75/1407761475.db2.gz LWKRFMXIDOVWID-IPMKNSEASA-N 2 1 333.520 2.348 20 30 EEEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)c1 ZINC001168023662 782294487 /nfs/dbraw/zinc/29/44/87/782294487.db2.gz ZIMKGCIOTMYARR-RBUKOAKNSA-N 2 1 340.471 2.171 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001168030984 782423316 /nfs/dbraw/zinc/42/33/16/782423316.db2.gz WMDKGAGLXJYXAU-RBUKOAKNSA-N 2 1 340.471 2.171 20 30 EEEDMP C=C(Br)C[NH2+]CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001206793858 757164595 /nfs/dbraw/zinc/16/45/95/757164595.db2.gz DIOLCNXPFXGDHR-UHFFFAOYSA-N 2 1 346.313 2.065 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104287019 757944605 /nfs/dbraw/zinc/94/46/05/757944605.db2.gz QSBCNFNHIPJOCU-GUDVDZBRSA-N 2 1 333.520 2.062 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001087296340 761511946 /nfs/dbraw/zinc/51/19/46/761511946.db2.gz XRDQKAOSDIQBDV-FGTMMUONSA-N 2 1 336.439 2.186 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=C)C)CC(C)(C)C1 ZINC001089408959 768833039 /nfs/dbraw/zinc/83/30/39/768833039.db2.gz JJSLFEAIRLDKMK-MSOLQXFVSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=C)C)CC(C)(C)C1 ZINC001089408959 768833053 /nfs/dbraw/zinc/83/30/53/768833053.db2.gz JJSLFEAIRLDKMK-MSOLQXFVSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=C)C)CC(C)(C)C1 ZINC001089408959 768833062 /nfs/dbraw/zinc/83/30/62/768833062.db2.gz JJSLFEAIRLDKMK-MSOLQXFVSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=C)C)CC(C)(C)C1 ZINC001089408959 768833076 /nfs/dbraw/zinc/83/30/76/768833076.db2.gz JJSLFEAIRLDKMK-MSOLQXFVSA-N 2 1 331.504 2.267 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089408807 768844889 /nfs/dbraw/zinc/84/48/89/768844889.db2.gz HWHRHLPOOADFHY-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089408807 768844902 /nfs/dbraw/zinc/84/49/02/768844902.db2.gz HWHRHLPOOADFHY-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089408807 768844914 /nfs/dbraw/zinc/84/49/14/768844914.db2.gz HWHRHLPOOADFHY-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089408807 768844918 /nfs/dbraw/zinc/84/49/18/768844918.db2.gz HWHRHLPOOADFHY-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089408807 768844929 /nfs/dbraw/zinc/84/49/29/768844929.db2.gz HWHRHLPOOADFHY-OALUTQOASA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430691 769092454 /nfs/dbraw/zinc/09/24/54/769092454.db2.gz RKRSZFHNWQCQDB-KRWDZBQOSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533401 770161963 /nfs/dbraw/zinc/16/19/63/770161963.db2.gz CGFBRIWTYNPHKC-GOSISDBHSA-N 2 1 333.520 2.347 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106533 782920131 /nfs/dbraw/zinc/92/01/31/782920131.db2.gz FZJLSAYXBJVXQX-JTDSTZFVSA-N 2 1 337.483 2.165 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106533 782920133 /nfs/dbraw/zinc/92/01/33/782920133.db2.gz FZJLSAYXBJVXQX-JTDSTZFVSA-N 2 1 337.483 2.165 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106533 782920140 /nfs/dbraw/zinc/92/01/40/782920140.db2.gz FZJLSAYXBJVXQX-JTDSTZFVSA-N 2 1 337.483 2.165 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980138973 773928585 /nfs/dbraw/zinc/92/85/85/773928585.db2.gz IEOLWAZQURGSTR-RCCFBDPRSA-N 2 1 336.439 2.188 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(C)C)C[C@@H]3C2)CC1 ZINC000980251725 774191213 /nfs/dbraw/zinc/19/12/13/774191213.db2.gz GCUIFWIAONSPQL-SLFFLAALSA-N 2 1 345.531 2.204 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C/C=C\Cl)CC1 ZINC000997624692 790469503 /nfs/dbraw/zinc/46/95/03/790469503.db2.gz XIEIFSZEXSCFLD-DBFKFLLRSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C/C=C\Cl)CC1 ZINC000997624692 790469506 /nfs/dbraw/zinc/46/95/06/790469506.db2.gz XIEIFSZEXSCFLD-DBFKFLLRSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093727 777407875 /nfs/dbraw/zinc/40/78/75/777407875.db2.gz PFEPSUXYCZXERS-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093727 777407879 /nfs/dbraw/zinc/40/78/79/777407879.db2.gz PFEPSUXYCZXERS-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093727 777407884 /nfs/dbraw/zinc/40/78/84/777407884.db2.gz PFEPSUXYCZXERS-MOPGFXCFSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001089837819 777527454 /nfs/dbraw/zinc/52/74/54/777527454.db2.gz GKGASSXMPMWNIY-VJANTYMQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001089837819 777527463 /nfs/dbraw/zinc/52/74/63/777527463.db2.gz GKGASSXMPMWNIY-VJANTYMQSA-N 2 1 342.487 2.327 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000982009224 778851499 /nfs/dbraw/zinc/85/14/99/778851499.db2.gz JPALVRDYUWSZNZ-UHFFFAOYSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000982009224 778851508 /nfs/dbraw/zinc/85/15/08/778851508.db2.gz JPALVRDYUWSZNZ-UHFFFAOYSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000982009224 778851513 /nfs/dbraw/zinc/85/15/13/778851513.db2.gz JPALVRDYUWSZNZ-UHFFFAOYSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000982009224 778851520 /nfs/dbraw/zinc/85/15/20/778851520.db2.gz JPALVRDYUWSZNZ-UHFFFAOYSA-N 2 1 339.911 2.395 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982099958 779092877 /nfs/dbraw/zinc/09/28/77/779092877.db2.gz MFMQBXOTCKCZAX-UHFFFAOYSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982294850 779595884 /nfs/dbraw/zinc/59/58/84/779595884.db2.gz IXPSOQKZILKDAL-NRSPTQNISA-N 2 1 345.531 2.158 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982294850 779595890 /nfs/dbraw/zinc/59/58/90/779595890.db2.gz IXPSOQKZILKDAL-NRSPTQNISA-N 2 1 345.531 2.158 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982294850 779595895 /nfs/dbraw/zinc/59/58/95/779595895.db2.gz IXPSOQKZILKDAL-NRSPTQNISA-N 2 1 345.531 2.158 20 30 EEEDMP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471131 783825113 /nfs/dbraw/zinc/82/51/13/783825113.db2.gz HICQUFNLCZNFBW-HUUCEWRRSA-N 2 1 334.464 2.333 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035205040 784056017 /nfs/dbraw/zinc/05/60/17/784056017.db2.gz HMVQNZCXOIPOMK-UHFFFAOYSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035248890 784190874 /nfs/dbraw/zinc/19/08/74/784190874.db2.gz LHCOPSZRQBRLFO-UHFFFAOYSA-N 2 1 345.531 2.445 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135975764 784924978 /nfs/dbraw/zinc/92/49/78/784924978.db2.gz BZJINHLRYCIDRP-IRXDYDNUSA-N 2 1 347.478 2.392 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1)C1CCC1 ZINC000996667238 787031939 /nfs/dbraw/zinc/03/19/39/787031939.db2.gz YQBGJBKXPDVCDA-UHFFFAOYSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCN3CCOCC3)CCC[C@@H]12 ZINC001107579324 787734688 /nfs/dbraw/zinc/73/46/88/787734688.db2.gz CYERUWOVBWPRFW-UYAOXDASSA-N 2 1 349.519 2.036 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579324 787734693 /nfs/dbraw/zinc/73/46/93/787734693.db2.gz CYERUWOVBWPRFW-UYAOXDASSA-N 2 1 349.519 2.036 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579324 787734696 /nfs/dbraw/zinc/73/46/96/787734696.db2.gz CYERUWOVBWPRFW-UYAOXDASSA-N 2 1 349.519 2.036 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000997093472 788772942 /nfs/dbraw/zinc/77/29/42/788772942.db2.gz OEEYAYHBIKPZAG-CVEARBPZSA-N 2 1 325.884 2.336 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946856359 788795720 /nfs/dbraw/zinc/79/57/20/788795720.db2.gz HIZCDBPRHXQRRT-GBESFXJTSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856359 788795725 /nfs/dbraw/zinc/79/57/25/788795725.db2.gz HIZCDBPRHXQRRT-GBESFXJTSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856359 788795735 /nfs/dbraw/zinc/79/57/35/788795735.db2.gz HIZCDBPRHXQRRT-GBESFXJTSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991502408 789142575 /nfs/dbraw/zinc/14/25/75/789142575.db2.gz KLJBHMSHTXWUOQ-HKUYNNGSSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991502408 789142580 /nfs/dbraw/zinc/14/25/80/789142580.db2.gz KLJBHMSHTXWUOQ-HKUYNNGSSA-N 2 1 346.475 2.429 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000923359569 789449826 /nfs/dbraw/zinc/44/98/26/789449826.db2.gz SBRPHNJDYDMJEV-CEXWTWQISA-N 2 1 343.471 2.010 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798770 805989547 /nfs/dbraw/zinc/98/95/47/805989547.db2.gz RJDXZASGKZHFBY-YDZRNGNQSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798770 805989555 /nfs/dbraw/zinc/98/95/55/805989555.db2.gz RJDXZASGKZHFBY-YDZRNGNQSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798770 805989561 /nfs/dbraw/zinc/98/95/61/805989561.db2.gz RJDXZASGKZHFBY-YDZRNGNQSA-N 2 1 349.519 2.173 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099115994 792870829 /nfs/dbraw/zinc/87/08/29/792870829.db2.gz MHAZLYNHDCITNE-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115994 792870835 /nfs/dbraw/zinc/87/08/35/792870835.db2.gz MHAZLYNHDCITNE-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115994 792870837 /nfs/dbraw/zinc/87/08/37/792870837.db2.gz MHAZLYNHDCITNE-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@H]12 ZINC000992142691 792896298 /nfs/dbraw/zinc/89/62/98/792896298.db2.gz BWALHPKFHGOYQF-XKGZKEIXSA-N 2 1 342.487 2.443 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@H]12 ZINC000992142691 792896309 /nfs/dbraw/zinc/89/63/09/792896309.db2.gz BWALHPKFHGOYQF-XKGZKEIXSA-N 2 1 342.487 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2csc(C)c2)C1 ZINC000998929676 793573822 /nfs/dbraw/zinc/57/38/22/793573822.db2.gz XQZWZAWYSVGASH-ABHNRTSZSA-N 2 1 345.512 2.233 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2csc(C)c2)C1 ZINC000998929676 793573830 /nfs/dbraw/zinc/57/38/30/793573830.db2.gz XQZWZAWYSVGASH-ABHNRTSZSA-N 2 1 345.512 2.233 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092190773 793653933 /nfs/dbraw/zinc/65/39/33/793653933.db2.gz WYXADADVAFNSSK-SBHAEUEKSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190773 793653937 /nfs/dbraw/zinc/65/39/37/793653937.db2.gz WYXADADVAFNSSK-SBHAEUEKSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190773 793653942 /nfs/dbraw/zinc/65/39/42/793653942.db2.gz WYXADADVAFNSSK-SBHAEUEKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303216 793779181 /nfs/dbraw/zinc/77/91/81/793779181.db2.gz ZUDGJTFVIGKALM-SBHAEUEKSA-N 2 1 345.531 2.301 20 30 EEEDMP N#Cc1cccc(C[N@H+]2CC[C@@]3(NC(=O)Cn4ccnc4)CCC[C@H]23)c1 ZINC000992525072 794499551 /nfs/dbraw/zinc/49/95/51/794499551.db2.gz VVCYNMZIYQGMSO-ICSRJNTNSA-N 2 1 349.438 2.068 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1F ZINC001079320683 794577570 /nfs/dbraw/zinc/57/75/70/794577570.db2.gz DOYPDNCVEYCOIB-FUHWJXTLSA-N 2 1 342.418 2.101 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036864086 795563448 /nfs/dbraw/zinc/56/34/48/795563448.db2.gz RELCKVWEFYBIFV-RTBURBONSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036867589 795611118 /nfs/dbraw/zinc/61/11/18/795611118.db2.gz XEIGPIGHNLBPLJ-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667430 796075116 /nfs/dbraw/zinc/07/51/16/796075116.db2.gz ZRZZAUOPXWJNLA-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413806 796201541 /nfs/dbraw/zinc/20/15/41/796201541.db2.gz LDPVMAKOAHCTLR-QWFCFKBJSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094413806 796201544 /nfs/dbraw/zinc/20/15/44/796201544.db2.gz LDPVMAKOAHCTLR-QWFCFKBJSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094413806 796201550 /nfs/dbraw/zinc/20/15/50/796201550.db2.gz LDPVMAKOAHCTLR-QWFCFKBJSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497933 796290485 /nfs/dbraw/zinc/29/04/85/796290485.db2.gz RYPACUAANJNJLW-PNYFIKQUSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497933 796290487 /nfs/dbraw/zinc/29/04/87/796290487.db2.gz RYPACUAANJNJLW-PNYFIKQUSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497933 796290492 /nfs/dbraw/zinc/29/04/92/796290492.db2.gz RYPACUAANJNJLW-PNYFIKQUSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094577632 796419147 /nfs/dbraw/zinc/41/91/47/796419147.db2.gz KNVYZTDYTBQQPM-BFYDXBDKSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577632 796419152 /nfs/dbraw/zinc/41/91/52/796419152.db2.gz KNVYZTDYTBQQPM-BFYDXBDKSA-N 2 1 325.884 2.051 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577632 796419155 /nfs/dbraw/zinc/41/91/55/796419155.db2.gz KNVYZTDYTBQQPM-BFYDXBDKSA-N 2 1 325.884 2.051 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCF)CC3)CC1 ZINC001094581455 796421847 /nfs/dbraw/zinc/42/18/47/796421847.db2.gz BKDUDVFQNUJTQA-UYAOXDASSA-N 2 1 349.494 2.052 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081134245 796662895 /nfs/dbraw/zinc/66/28/95/796662895.db2.gz QTFLXMDXAQDEDL-IPMKNSEASA-N 2 1 327.472 2.241 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001094964371 797122464 /nfs/dbraw/zinc/12/24/64/797122464.db2.gz PZBBVZSGVWWXTC-ULQDDVLXSA-N 2 1 342.487 2.307 20 30 EEEDMP C=CCC[NH+]1CCC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001001836141 797242372 /nfs/dbraw/zinc/24/23/72/797242372.db2.gz GAOSYGIDGDWNCZ-UHFFFAOYSA-N 2 1 346.475 2.288 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001084862936 798510526 /nfs/dbraw/zinc/51/05/26/798510526.db2.gz LMOAAVLYRQLBMG-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001084862936 798510528 /nfs/dbraw/zinc/51/05/28/798510528.db2.gz LMOAAVLYRQLBMG-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001084964509 798581252 /nfs/dbraw/zinc/58/12/52/798581252.db2.gz CDAHLMUGXUVAJI-PMPSAXMXSA-N 2 1 327.900 2.248 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001084964509 798581254 /nfs/dbraw/zinc/58/12/54/798581254.db2.gz CDAHLMUGXUVAJI-PMPSAXMXSA-N 2 1 327.900 2.248 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014170 798610601 /nfs/dbraw/zinc/61/06/01/798610601.db2.gz IXZQKZNCGBUGJS-QYZOEREBSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014170 798610603 /nfs/dbraw/zinc/61/06/03/798610603.db2.gz IXZQKZNCGBUGJS-QYZOEREBSA-N 2 1 331.504 2.055 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001176986286 798675018 /nfs/dbraw/zinc/67/50/18/798675018.db2.gz JNZVBBWJLXLLNW-SFHVURJKSA-N 2 1 346.450 2.168 20 30 EEEDMP C=CCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001177150048 798774924 /nfs/dbraw/zinc/77/49/24/798774924.db2.gz HBWNPUVNPJHINI-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001177150048 798774930 /nfs/dbraw/zinc/77/49/30/798774930.db2.gz HBWNPUVNPJHINI-OALUTQOASA-N 2 1 349.519 2.130 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001177415710 798934264 /nfs/dbraw/zinc/93/42/64/798934264.db2.gz JAKOSMMFZPQXPU-HKUYNNGSSA-N 2 1 333.520 2.206 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001003054878 799123751 /nfs/dbraw/zinc/12/37/51/799123751.db2.gz CAIKPQVFWRMYEN-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001003054878 799123755 /nfs/dbraw/zinc/12/37/55/799123755.db2.gz CAIKPQVFWRMYEN-IBGZPJMESA-N 2 1 329.488 2.165 20 30 EEEDMP C=C(C)CC[NH+]1CCn2ncc(CNC(=O)C(C)(C)[N@@H+](C)CC)c2C1 ZINC001128396672 799202804 /nfs/dbraw/zinc/20/28/04/799202804.db2.gz GSGYHVAGAYSWIR-UHFFFAOYSA-N 2 1 347.507 2.011 20 30 EEEDMP C=C(C)CC[NH+]1CCn2ncc(CNC(=O)C(C)(C)[N@H+](C)CC)c2C1 ZINC001128396672 799202810 /nfs/dbraw/zinc/20/28/10/799202810.db2.gz GSGYHVAGAYSWIR-UHFFFAOYSA-N 2 1 347.507 2.011 20 30 EEEDMP C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)C(C)(C)[NH+](C)CC)c2C1 ZINC001128396672 799202815 /nfs/dbraw/zinc/20/28/15/799202815.db2.gz GSGYHVAGAYSWIR-UHFFFAOYSA-N 2 1 347.507 2.011 20 30 EEEDMP C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)C(C)(C)[NH+](C)CC)c2C1 ZINC001128396672 799202818 /nfs/dbraw/zinc/20/28/18/799202818.db2.gz GSGYHVAGAYSWIR-UHFFFAOYSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001150794485 799445660 /nfs/dbraw/zinc/44/56/60/799445660.db2.gz KQLSDLAICSWIPA-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001150794485 799445662 /nfs/dbraw/zinc/44/56/62/799445662.db2.gz KQLSDLAICSWIPA-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001150794485 799445668 /nfs/dbraw/zinc/44/56/68/799445668.db2.gz KQLSDLAICSWIPA-QZTJIDSGSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001179719653 800068590 /nfs/dbraw/zinc/06/85/90/800068590.db2.gz MWJJFHAXIZXYJU-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108207949 801148186 /nfs/dbraw/zinc/14/81/86/801148186.db2.gz TVQORMFFUBMILC-PKOBYXMFSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182589916 801259010 /nfs/dbraw/zinc/25/90/10/801259010.db2.gz KINHROHJCRHGKX-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946599887 801856839 /nfs/dbraw/zinc/85/68/39/801856839.db2.gz UUPMNZYHMDIAQJ-ZSYWTGECSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946599887 801856844 /nfs/dbraw/zinc/85/68/44/801856844.db2.gz UUPMNZYHMDIAQJ-ZSYWTGECSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946599887 801856850 /nfs/dbraw/zinc/85/68/50/801856850.db2.gz UUPMNZYHMDIAQJ-ZSYWTGECSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004438361 802063805 /nfs/dbraw/zinc/06/38/05/802063805.db2.gz OVLAQFTZFIGWDC-OALUTQOASA-N 2 1 331.504 2.217 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([C@H]2CCCN2CC#N)CC1 ZINC001004456841 802116377 /nfs/dbraw/zinc/11/63/77/802116377.db2.gz ILLFKXMSCGYUDX-RTBURBONSA-N 2 1 346.519 2.476 20 30 EEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000073761379 802129322 /nfs/dbraw/zinc/12/93/22/802129322.db2.gz IEMLFUDUUCYFCU-GOSISDBHSA-N 3 1 349.567 2.292 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004466361 802141201 /nfs/dbraw/zinc/14/12/01/802141201.db2.gz USQURRRMDMCPJL-MOPGFXCFSA-N 2 1 333.520 2.299 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086402337 802898861 /nfs/dbraw/zinc/89/88/61/802898861.db2.gz QCYIHHWJFHRVIG-ATZDWAIDSA-N 2 1 340.471 2.027 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001108417976 803506230 /nfs/dbraw/zinc/50/62/30/803506230.db2.gz LZUKKSMLVIMDHA-FQEVSTJZSA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001108418510 803507247 /nfs/dbraw/zinc/50/72/47/803507247.db2.gz YOIIHWMFCFMZFE-FQEVSTJZSA-N 2 1 345.487 2.145 20 30 EEEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001108418510 803507249 /nfs/dbraw/zinc/50/72/49/803507249.db2.gz YOIIHWMFCFMZFE-FQEVSTJZSA-N 2 1 345.487 2.145 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797658 804052442 /nfs/dbraw/zinc/05/24/42/804052442.db2.gz IDSJYULDCJAGAG-QFBILLFUSA-N 2 1 342.487 2.417 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809138 804085793 /nfs/dbraw/zinc/08/57/93/804085793.db2.gz FSNQOWLIGJCDSP-RHSMWYFYSA-N 2 1 348.516 2.479 20 30 EEEDMP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809136 804086484 /nfs/dbraw/zinc/08/64/84/804086484.db2.gz FSNQOWLIGJCDSP-PBHICJAKSA-N 2 1 348.516 2.479 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109473811 805514085 /nfs/dbraw/zinc/51/40/85/805514085.db2.gz GLHJLLIAIJUMMB-XWSJACJDSA-N 2 1 349.519 2.031 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473811 805514091 /nfs/dbraw/zinc/51/40/91/805514091.db2.gz GLHJLLIAIJUMMB-XWSJACJDSA-N 2 1 349.519 2.031 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130423301 811616895 /nfs/dbraw/zinc/61/68/95/811616895.db2.gz OOTDORQRQCRUGF-WBVHZDCISA-N 2 1 347.507 2.122 20 30 EEEDMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccccc1C#N ZINC001441890879 1096027555 /nfs/dbraw/zinc/02/75/55/1096027555.db2.gz IHICNYVDVZUBDR-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccccc1C#N ZINC001441890879 1096027567 /nfs/dbraw/zinc/02/75/67/1096027567.db2.gz IHICNYVDVZUBDR-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001443340746 1097859158 /nfs/dbraw/zinc/85/91/58/1097859158.db2.gz KNBXIZSBAXRFBO-IBGZPJMESA-N 2 1 342.487 2.180 20 30 EEEDMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001443340746 1097859165 /nfs/dbraw/zinc/85/91/65/1097859165.db2.gz KNBXIZSBAXRFBO-IBGZPJMESA-N 2 1 342.487 2.180 20 30 EEEDMP C#CCNC(=O)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000491419326 533162454 /nfs/dbraw/zinc/16/24/54/533162454.db2.gz UJGSBWQYRLINIM-UHFFFAOYSA-N 2 1 339.483 2.114 20 30 EEEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580791037 324129966 /nfs/dbraw/zinc/12/99/66/324129966.db2.gz WWCVUOBNGKBJDA-OAHLLOKOSA-N 2 1 326.448 2.203 20 30 EEEDMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C[C@@H](C)O1 ZINC000339062330 465059929 /nfs/dbraw/zinc/05/99/29/465059929.db2.gz BCJGAIXAOMUJBC-ZJPYXAASSA-N 2 1 335.492 2.269 20 30 EEEDMP Cc1nccn1CCC[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000136303430 463234371 /nfs/dbraw/zinc/23/43/71/463234371.db2.gz NXNKBMFFMLHMLK-UHFFFAOYSA-N 2 1 331.464 2.198 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000136303430 463234376 /nfs/dbraw/zinc/23/43/76/463234376.db2.gz NXNKBMFFMLHMLK-UHFFFAOYSA-N 2 1 331.464 2.198 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000139058017 463316971 /nfs/dbraw/zinc/31/69/71/463316971.db2.gz NFXPBTNREBLDSS-AEFFLSMTSA-N 2 1 334.508 2.153 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccc(OC)c(OC)c1 ZINC000264068322 464279578 /nfs/dbraw/zinc/27/95/78/464279578.db2.gz CEEMQUJNBDIQFT-MRXNPFEDSA-N 2 1 348.491 2.025 20 30 EEEDMP CC[C@@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000264104494 464283533 /nfs/dbraw/zinc/28/35/33/464283533.db2.gz PCQLBSUCTFILPO-MRXNPFEDSA-N 2 1 331.508 2.027 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264114891 464285191 /nfs/dbraw/zinc/28/51/91/464285191.db2.gz SDGPPUNLGWYYJG-INIZCTEOSA-N 2 1 332.492 2.358 20 30 EEEDMP CC(C)CCNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264114891 464285196 /nfs/dbraw/zinc/28/51/96/464285196.db2.gz SDGPPUNLGWYYJG-INIZCTEOSA-N 2 1 332.492 2.358 20 30 EEEDMP C#CCNC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292887002 464375632 /nfs/dbraw/zinc/37/56/32/464375632.db2.gz URUNRYFOBWXBEL-HKUYNNGSSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCNC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292887002 464375636 /nfs/dbraw/zinc/37/56/36/464375636.db2.gz URUNRYFOBWXBEL-HKUYNNGSSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCNC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000292887002 464375642 /nfs/dbraw/zinc/37/56/42/464375642.db2.gz URUNRYFOBWXBEL-HKUYNNGSSA-N 2 1 327.472 2.111 20 30 EEEDMP C#CCNC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000292887002 464375648 /nfs/dbraw/zinc/37/56/48/464375648.db2.gz URUNRYFOBWXBEL-HKUYNNGSSA-N 2 1 327.472 2.111 20 30 EEEDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293639325 464415511 /nfs/dbraw/zinc/41/55/11/464415511.db2.gz ROAUZZMQQHZTHA-WOJBJXKFSA-N 2 1 326.488 2.428 20 30 EEEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000294133279 464434521 /nfs/dbraw/zinc/43/45/21/464434521.db2.gz NWWJICJDPSSNCE-GOSISDBHSA-N 2 1 327.472 2.016 20 30 EEEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000294133279 464434528 /nfs/dbraw/zinc/43/45/28/464434528.db2.gz NWWJICJDPSSNCE-GOSISDBHSA-N 2 1 327.472 2.016 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000247776958 464706099 /nfs/dbraw/zinc/70/60/99/464706099.db2.gz QWXAMRPWJNJPED-BBWFWOEESA-N 2 1 336.524 2.302 20 30 EEEDMP C=CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000420305936 467346430 /nfs/dbraw/zinc/34/64/30/467346430.db2.gz QDXCMEIGJUJTAB-HZPDHXFCSA-N 2 1 326.448 2.211 20 30 EEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(OCC)cc2)CC1 ZINC000518517833 468118614 /nfs/dbraw/zinc/11/86/14/468118614.db2.gz PRPKHWIDLCGHFB-QGZVFWFLSA-N 2 1 334.460 2.065 20 30 EEEDMP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000603110584 469266820 /nfs/dbraw/zinc/26/68/20/469266820.db2.gz MEHGZQMIHJZSRL-GOSISDBHSA-N 2 1 328.460 2.283 20 30 EEEDMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000603110584 469266823 /nfs/dbraw/zinc/26/68/23/469266823.db2.gz MEHGZQMIHJZSRL-GOSISDBHSA-N 2 1 328.460 2.283 20 30 EEEDMP C[N@H+](CCCC[NH+]1CCCCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000603110585 469267032 /nfs/dbraw/zinc/26/70/32/469267032.db2.gz MEHGZQMIHJZSRL-SFHVURJKSA-N 2 1 328.460 2.283 20 30 EEEDMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000603110585 469267034 /nfs/dbraw/zinc/26/70/34/469267034.db2.gz MEHGZQMIHJZSRL-SFHVURJKSA-N 2 1 328.460 2.283 20 30 EEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000614402393 469931249 /nfs/dbraw/zinc/93/12/49/469931249.db2.gz XCMMNQVKIAFXTI-HXUWFJFHSA-N 2 1 326.488 2.467 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168021202 782134477 /nfs/dbraw/zinc/13/44/77/782134477.db2.gz CJUFPXJPCBVXMV-KBPBESRZSA-N 2 1 344.297 2.008 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001020509400 674971018 /nfs/dbraw/zinc/97/10/18/674971018.db2.gz TXIQOOOLSAIMKD-AJNGGQMLSA-N 2 1 346.500 2.087 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000969865870 675267732 /nfs/dbraw/zinc/26/77/32/675267732.db2.gz RVDOEBYHMIIIDP-APWZRJJASA-N 2 1 343.515 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000969865870 675267733 /nfs/dbraw/zinc/26/77/33/675267733.db2.gz RVDOEBYHMIIIDP-APWZRJJASA-N 2 1 343.515 2.101 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000971718046 676757806 /nfs/dbraw/zinc/75/78/06/676757806.db2.gz CJIRUOCUXXSJDP-RCCFBDPRSA-N 2 1 349.438 2.118 20 30 EEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971800731 676811563 /nfs/dbraw/zinc/81/15/63/676811563.db2.gz LYBQAWXIWVVXFE-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971800731 676811565 /nfs/dbraw/zinc/81/15/65/676811565.db2.gz LYBQAWXIWVVXFE-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971800731 676811567 /nfs/dbraw/zinc/81/15/67/676811567.db2.gz LYBQAWXIWVVXFE-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)c2cccc3nccn32)C1 ZINC001022423896 676891772 /nfs/dbraw/zinc/89/17/72/676891772.db2.gz LLGWFCQQQLTTST-CALCHBBNSA-N 2 1 345.406 2.257 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972009393 677966969 /nfs/dbraw/zinc/96/69/69/677966969.db2.gz RCKOPTKZZNVQLL-CVEARBPZSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972009393 677966975 /nfs/dbraw/zinc/96/69/75/677966975.db2.gz RCKOPTKZZNVQLL-CVEARBPZSA-N 2 1 325.884 2.146 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023423531 679300423 /nfs/dbraw/zinc/30/04/23/679300423.db2.gz YRYHCIXFHLAVNR-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023423531 679300424 /nfs/dbraw/zinc/30/04/24/679300424.db2.gz YRYHCIXFHLAVNR-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023423531 679300426 /nfs/dbraw/zinc/30/04/26/679300426.db2.gz YRYHCIXFHLAVNR-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023423531 679300427 /nfs/dbraw/zinc/30/04/27/679300427.db2.gz YRYHCIXFHLAVNR-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023423531 679300428 /nfs/dbraw/zinc/30/04/28/679300428.db2.gz YRYHCIXFHLAVNR-PMACEKPBSA-N 2 1 345.531 2.493 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1CC#Cc1ccccc1 ZINC001024367001 679883868 /nfs/dbraw/zinc/88/38/68/679883868.db2.gz WSQGWVODUNESDG-WOJBJXKFSA-N 2 1 339.483 2.103 20 30 EEEDMP CN1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1CC#Cc1ccccc1 ZINC001024367001 679883869 /nfs/dbraw/zinc/88/38/69/679883869.db2.gz WSQGWVODUNESDG-WOJBJXKFSA-N 2 1 339.483 2.103 20 30 EEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712432 681372862 /nfs/dbraw/zinc/37/28/62/681372862.db2.gz XNRNDRIMBKWTLT-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025465832 682840064 /nfs/dbraw/zinc/84/00/64/682840064.db2.gz WLTXFHLPRHUKMQ-DOTOQJQBSA-N 2 1 338.455 2.496 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520188 682953714 /nfs/dbraw/zinc/95/37/14/682953714.db2.gz BKLFIPMVBROWSI-HOCLYGCPSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527487 682957015 /nfs/dbraw/zinc/95/70/15/682957015.db2.gz HSKVUWDIFVLWQQ-FXAWDEMLSA-N 2 1 341.499 2.254 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001026401047 684568238 /nfs/dbraw/zinc/56/82/38/684568238.db2.gz UBWQIKXXIGGGRZ-MELADBBJSA-N 2 1 336.867 2.266 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCC3)C2)CC1 ZINC001029909621 688248075 /nfs/dbraw/zinc/24/80/75/688248075.db2.gz OUQCZLWOJRIXPA-IBGZPJMESA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC3=CCCCC3)CC2)CC1 ZINC000989735047 692231906 /nfs/dbraw/zinc/23/19/06/692231906.db2.gz PSYRBZPTRDLRBU-UHFFFAOYSA-N 2 1 343.515 2.366 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880051 1192633365 /nfs/dbraw/zinc/63/33/65/1192633365.db2.gz GYODVUIZWFHNNV-NMLBUPMWSA-N 2 1 345.531 2.463 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001105444248 1187181679 /nfs/dbraw/zinc/18/16/79/1187181679.db2.gz CGXNDHUONGMMNM-HFSMHLIXSA-N 2 1 341.499 2.320 20 30 EEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001105556018 1188171704 /nfs/dbraw/zinc/17/17/04/1188171704.db2.gz ACEKAMIFQLPNQO-GBESFXJTSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244302 1188806313 /nfs/dbraw/zinc/80/63/13/1188806313.db2.gz NWJSZVTWBWJNTR-FRQCXROJSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244302 1188806319 /nfs/dbraw/zinc/80/63/19/1188806319.db2.gz NWJSZVTWBWJNTR-FRQCXROJSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244302 1188806321 /nfs/dbraw/zinc/80/63/21/1188806321.db2.gz NWJSZVTWBWJNTR-FRQCXROJSA-N 2 1 337.483 2.308 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC001076604453 1189035706 /nfs/dbraw/zinc/03/57/06/1189035706.db2.gz GVSNHPFVCFMKFF-RBUKOAKNSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034403954 1196196071 /nfs/dbraw/zinc/19/60/71/1196196071.db2.gz FILAAGOAGZGZRZ-HXUWFJFHSA-N 2 1 341.499 2.398 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001034607896 1196430197 /nfs/dbraw/zinc/43/01/97/1196430197.db2.gz AYIMVJUWXJGPJG-GUDVDZBRSA-N 2 1 340.471 2.169 20 30 EEEDMP N#CCCNC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000813371414 1199000860 /nfs/dbraw/zinc/00/08/60/1199000860.db2.gz ZAKGHMRLIUWANQ-UHFFFAOYSA-N 2 1 340.471 2.004 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001133122968 1200477729 /nfs/dbraw/zinc/47/77/29/1200477729.db2.gz WRRZJISNGAYWSW-ICSRJNTNSA-N 2 1 343.515 2.421 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133165554 1200539070 /nfs/dbraw/zinc/53/90/70/1200539070.db2.gz JCEYCBDGFCLQNV-WMZOPIPTSA-N 2 1 330.476 2.069 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133404053 1200867700 /nfs/dbraw/zinc/86/77/00/1200867700.db2.gz WAYYQBHNCDRBPC-MRXNPFEDSA-N 2 1 347.890 2.233 20 30 EEEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000887133381 1204213291 /nfs/dbraw/zinc/21/32/91/1204213291.db2.gz ZQOWONSOZDMBJT-MRXNPFEDSA-N 2 1 349.438 2.493 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000930980148 1206597197 /nfs/dbraw/zinc/59/71/97/1206597197.db2.gz UAIBXIVPHDJEKJ-IBGZPJMESA-N 2 1 342.487 2.321 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947722622 1208686867 /nfs/dbraw/zinc/68/68/67/1208686867.db2.gz KTIWCTCILIBLKT-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947722622 1208686869 /nfs/dbraw/zinc/68/68/69/1208686869.db2.gz KTIWCTCILIBLKT-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947722622 1208686870 /nfs/dbraw/zinc/68/68/70/1208686870.db2.gz KTIWCTCILIBLKT-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947722622 1208686873 /nfs/dbraw/zinc/68/68/73/1208686873.db2.gz KTIWCTCILIBLKT-HUUCEWRRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947780101 1208713954 /nfs/dbraw/zinc/71/39/54/1208713954.db2.gz VSKNKZTUKQQPGW-GDBMZVCRSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947780101 1208713957 /nfs/dbraw/zinc/71/39/57/1208713957.db2.gz VSKNKZTUKQQPGW-GDBMZVCRSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)[C@H](C)C2)CC1 ZINC000948070197 1208853857 /nfs/dbraw/zinc/85/38/57/1208853857.db2.gz NQKIOKGJTHSBNE-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439412 1209139388 /nfs/dbraw/zinc/13/93/88/1209139388.db2.gz OXRPFKMEUCIPRX-SJORKVTESA-N 2 1 328.460 2.097 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439412 1209139389 /nfs/dbraw/zinc/13/93/89/1209139389.db2.gz OXRPFKMEUCIPRX-SJORKVTESA-N 2 1 328.460 2.097 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@@H+]1C)CCO2 ZINC000949124093 1209544614 /nfs/dbraw/zinc/54/46/14/1209544614.db2.gz PKTAMRHSJYZTLY-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C[C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)[N@@H+](C)C1CC1 ZINC000083052356 1211453516 /nfs/dbraw/zinc/45/35/16/1211453516.db2.gz AVEOLIWABWRXJM-LLVKDONJSA-N 2 1 344.381 2.472 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000303793932 1213906193 /nfs/dbraw/zinc/90/61/93/1213906193.db2.gz ZZICXVKEGDASLG-ROUUACIJSA-N 3 1 337.556 2.276 20 30 EEEDMP C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000303875972 1213917898 /nfs/dbraw/zinc/91/78/98/1213917898.db2.gz HWERNAVWQKZAPO-IAGOWNOFSA-N 2 1 344.503 2.454 20 30 EEEDMP C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000303875972 1213917906 /nfs/dbraw/zinc/91/79/06/1213917906.db2.gz HWERNAVWQKZAPO-IAGOWNOFSA-N 2 1 344.503 2.454 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000960715936 1216826769 /nfs/dbraw/zinc/82/67/69/1216826769.db2.gz FTMHTEQNJKKUNS-RBUKOAKNSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC000960716591 1216829040 /nfs/dbraw/zinc/82/90/40/1216829040.db2.gz JIKUHUHCDPBIRQ-RBUKOAKNSA-N 2 1 342.487 2.321 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC000960716591 1216829044 /nfs/dbraw/zinc/82/90/44/1216829044.db2.gz JIKUHUHCDPBIRQ-RBUKOAKNSA-N 2 1 342.487 2.321 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961204802 1217088306 /nfs/dbraw/zinc/08/83/06/1217088306.db2.gz ZTDJKSAAUOKKTR-MSOLQXFVSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961204802 1217088307 /nfs/dbraw/zinc/08/83/07/1217088307.db2.gz ZTDJKSAAUOKKTR-MSOLQXFVSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253609 1217112044 /nfs/dbraw/zinc/11/20/44/1217112044.db2.gz QYNAHFWOOYXZCT-PMACEKPBSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961260102 1217115403 /nfs/dbraw/zinc/11/54/03/1217115403.db2.gz KAYWKCLSKIGQCO-UXHICEINSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961283766 1217126824 /nfs/dbraw/zinc/12/68/24/1217126824.db2.gz LQUOCRQTBYOWGC-MSOLQXFVSA-N 2 1 330.476 2.328 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961283766 1217126827 /nfs/dbraw/zinc/12/68/27/1217126827.db2.gz LQUOCRQTBYOWGC-MSOLQXFVSA-N 2 1 330.476 2.328 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961342223 1217150202 /nfs/dbraw/zinc/15/02/02/1217150202.db2.gz QHFFZURGNMHURB-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961342223 1217150203 /nfs/dbraw/zinc/15/02/03/1217150203.db2.gz QHFFZURGNMHURB-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961342223 1217150204 /nfs/dbraw/zinc/15/02/04/1217150204.db2.gz QHFFZURGNMHURB-OALUTQOASA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000963844674 1218072562 /nfs/dbraw/zinc/07/25/62/1218072562.db2.gz ULUQMZJOMDRIQF-GTPINHCMSA-N 2 1 330.476 2.299 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000965063098 1218867281 /nfs/dbraw/zinc/86/72/81/1218867281.db2.gz JVGJJKFGJFZLLL-WCWKGHBLSA-N 2 1 325.884 2.098 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969025103 1221749618 /nfs/dbraw/zinc/74/96/18/1221749618.db2.gz KPNAJEUCKSAOMH-FQEVSTJZSA-N 2 1 341.499 2.398 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000969026014 1221750189 /nfs/dbraw/zinc/75/01/89/1221750189.db2.gz ZCJZEXCEZONQOO-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000969026014 1221750194 /nfs/dbraw/zinc/75/01/94/1221750194.db2.gz ZCJZEXCEZONQOO-INIZCTEOSA-N 2 1 346.475 2.431 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C)C2)CC1 ZINC001016336495 1226359983 /nfs/dbraw/zinc/35/99/83/1226359983.db2.gz LZJZKRYWIYHKMW-HXUWFJFHSA-N 2 1 339.483 2.031 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016664403 1226750161 /nfs/dbraw/zinc/75/01/61/1226750161.db2.gz XBXOETSWBGAXTG-MSOLQXFVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001018985393 1228607040 /nfs/dbraw/zinc/60/70/40/1228607040.db2.gz PYGGHXJKHRWUEQ-SNRMKQJTSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001018985393 1228607042 /nfs/dbraw/zinc/60/70/42/1228607042.db2.gz PYGGHXJKHRWUEQ-SNRMKQJTSA-N 2 1 343.446 2.175 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018990181 1228611130 /nfs/dbraw/zinc/61/11/30/1228611130.db2.gz FHEAWGURJMVKPH-GJZGRUSLSA-N 2 1 346.500 2.185 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001020145013 1229509186 /nfs/dbraw/zinc/50/91/86/1229509186.db2.gz FGONMBREJIEFSE-ZQIUZPCESA-N 2 1 346.500 2.229 20 30 EEEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001039139881 1230354340 /nfs/dbraw/zinc/35/43/40/1230354340.db2.gz MCZLZYNJEFUARS-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139881 1230354346 /nfs/dbraw/zinc/35/43/46/1230354346.db2.gz MCZLZYNJEFUARS-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139881 1230354348 /nfs/dbraw/zinc/35/43/48/1230354348.db2.gz MCZLZYNJEFUARS-WOJBJXKFSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2ccnc2)C1 ZINC001039254473 1230490383 /nfs/dbraw/zinc/49/03/83/1230490383.db2.gz VPNARXVCZOPJFG-HZPDHXFCSA-N 2 1 336.867 2.339 20 30 EEEDMP C=C(Cl)CN1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2ccnc2)C1 ZINC001039254473 1230490386 /nfs/dbraw/zinc/49/03/86/1230490386.db2.gz VPNARXVCZOPJFG-HZPDHXFCSA-N 2 1 336.867 2.339 20 30 EEEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040209970 1231105012 /nfs/dbraw/zinc/10/50/12/1231105012.db2.gz MRVPCHFNKJRXSF-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209970 1231105014 /nfs/dbraw/zinc/10/50/14/1231105014.db2.gz MRVPCHFNKJRXSF-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040209970 1231105017 /nfs/dbraw/zinc/10/50/17/1231105017.db2.gz MRVPCHFNKJRXSF-NSHGMRRFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040242693 1231127485 /nfs/dbraw/zinc/12/74/85/1231127485.db2.gz ZSIFGGNUFUGJPN-PZJWPPBQSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040242693 1231127487 /nfs/dbraw/zinc/12/74/87/1231127487.db2.gz ZSIFGGNUFUGJPN-PZJWPPBQSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040242693 1231127489 /nfs/dbraw/zinc/12/74/89/1231127489.db2.gz ZSIFGGNUFUGJPN-PZJWPPBQSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725195 1231663349 /nfs/dbraw/zinc/66/33/49/1231663349.db2.gz LKCIEZNBXAJBGA-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845925 1231728889 /nfs/dbraw/zinc/72/88/89/1231728889.db2.gz RVXLSXJXFGDVOM-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268375 1231993672 /nfs/dbraw/zinc/99/36/72/1231993672.db2.gz CJNIBOBMRRKAEX-QUCCMNQESA-N 2 1 339.483 2.308 20 30 EEEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042304451 1232016958 /nfs/dbraw/zinc/01/69/58/1232016958.db2.gz NXPGUOWEOJQEKA-PKOBYXMFSA-N 2 1 331.504 2.217 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCC(C)C)[C@H]3C2)CC1 ZINC001042367936 1232050301 /nfs/dbraw/zinc/05/03/01/1232050301.db2.gz MKDVBFXRTGGLBF-ICSRJNTNSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046620152 1235003870 /nfs/dbraw/zinc/00/38/70/1235003870.db2.gz JUVZCJXVOKEMEM-APWZRJJASA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046620152 1235003874 /nfs/dbraw/zinc/00/38/74/1235003874.db2.gz JUVZCJXVOKEMEM-APWZRJJASA-N 2 1 330.476 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC(C)C)C3)CC1 ZINC001047208683 1235672353 /nfs/dbraw/zinc/67/23/53/1235672353.db2.gz JSAQHJJTUDLJAC-SXLOBPIMSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001047243971 1235735654 /nfs/dbraw/zinc/73/56/54/1235735654.db2.gz OILOQUFJGSJRES-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818801 1238733189 /nfs/dbraw/zinc/73/31/89/1238733189.db2.gz NZNVPSMJFWFXBS-OKYOBFRVSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818801 1238733202 /nfs/dbraw/zinc/73/32/02/1238733202.db2.gz NZNVPSMJFWFXBS-OKYOBFRVSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818801 1238733216 /nfs/dbraw/zinc/73/32/16/1238733216.db2.gz NZNVPSMJFWFXBS-OKYOBFRVSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849830 1238973647 /nfs/dbraw/zinc/97/36/47/1238973647.db2.gz UCWUEDRODKRXKO-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849830 1238973667 /nfs/dbraw/zinc/97/36/67/1238973667.db2.gz UCWUEDRODKRXKO-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849830 1238973684 /nfs/dbraw/zinc/97/36/84/1238973684.db2.gz UCWUEDRODKRXKO-OWCLPIDISA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107311 1240019046 /nfs/dbraw/zinc/01/90/46/1240019046.db2.gz DOSQDFKHYFFITG-TWMKSMIVSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107311 1240019057 /nfs/dbraw/zinc/01/90/57/1240019057.db2.gz DOSQDFKHYFFITG-TWMKSMIVSA-N 2 1 337.895 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107311 1240019065 /nfs/dbraw/zinc/01/90/65/1240019065.db2.gz DOSQDFKHYFFITG-TWMKSMIVSA-N 2 1 337.895 2.146 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC001000173179 1240024694 /nfs/dbraw/zinc/02/46/94/1240024694.db2.gz ATGOURXHVQPOCN-KRWDZBQOSA-N 2 1 340.471 2.145 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172230 1240177174 /nfs/dbraw/zinc/17/71/74/1240177174.db2.gz VKDHABNYJIRKBN-INDMIFKZSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001050766307 1244320905 /nfs/dbraw/zinc/32/09/05/1244320905.db2.gz NXEWSGBYFGFVNM-SFHVURJKSA-N 2 1 327.472 2.400 20 30 EEEDMP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@@H+]3C)cccc2C1 ZINC001051283062 1245475517 /nfs/dbraw/zinc/47/55/17/1245475517.db2.gz CVRRRVIBVGEBEN-IBGZPJMESA-N 2 1 327.472 2.331 20 30 EEEDMP C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001051283062 1245475521 /nfs/dbraw/zinc/47/55/21/1245475521.db2.gz CVRRRVIBVGEBEN-IBGZPJMESA-N 2 1 327.472 2.331 20 30 EEEDMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001051283062 1245475525 /nfs/dbraw/zinc/47/55/25/1245475525.db2.gz CVRRRVIBVGEBEN-IBGZPJMESA-N 2 1 327.472 2.331 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H](C)CC)CC2)CC1 ZINC001052954726 1245546236 /nfs/dbraw/zinc/54/62/36/1245546236.db2.gz QWCKIVOQBYTYHO-IEBWSBKVSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051457 1245775262 /nfs/dbraw/zinc/77/52/62/1245775262.db2.gz OUDCJKGYWDREKB-ZWKOTPCHSA-N 2 1 331.504 2.219 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053086083 1245859524 /nfs/dbraw/zinc/85/95/24/1245859524.db2.gz AYFMXPBDPBWSRF-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053086083 1245859527 /nfs/dbraw/zinc/85/95/27/1245859527.db2.gz AYFMXPBDPBWSRF-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053086083 1245859533 /nfs/dbraw/zinc/85/95/33/1245859533.db2.gz AYFMXPBDPBWSRF-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053091132 1245876881 /nfs/dbraw/zinc/87/68/81/1245876881.db2.gz LCXOQKLVBPURTM-RTBURBONSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053091132 1245876886 /nfs/dbraw/zinc/87/68/86/1245876886.db2.gz LCXOQKLVBPURTM-RTBURBONSA-N 2 1 342.487 2.308 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053099718 1245904571 /nfs/dbraw/zinc/90/45/71/1245904571.db2.gz XZWILHVLTRCISB-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053099718 1245904576 /nfs/dbraw/zinc/90/45/76/1245904576.db2.gz XZWILHVLTRCISB-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053099718 1245904582 /nfs/dbraw/zinc/90/45/82/1245904582.db2.gz XZWILHVLTRCISB-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001101582240 1245990256 /nfs/dbraw/zinc/99/02/56/1245990256.db2.gz FQBZVXQPQOJIEP-RTBURBONSA-N 2 1 345.531 2.491 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001052248882 1246759318 /nfs/dbraw/zinc/75/93/18/1246759318.db2.gz BBSMSFJAZVWWAT-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001052248882 1246759326 /nfs/dbraw/zinc/75/93/26/1246759326.db2.gz BBSMSFJAZVWWAT-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001052248882 1246759340 /nfs/dbraw/zinc/75/93/40/1246759340.db2.gz BBSMSFJAZVWWAT-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438854 1247286593 /nfs/dbraw/zinc/28/65/93/1247286593.db2.gz CVKIPMZHAARUKM-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001052438854 1247286602 /nfs/dbraw/zinc/28/66/02/1247286602.db2.gz CVKIPMZHAARUKM-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001052438854 1247286612 /nfs/dbraw/zinc/28/66/12/1247286612.db2.gz CVKIPMZHAARUKM-MJGOQNOKSA-N 2 1 349.519 2.177 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054222560 1247760661 /nfs/dbraw/zinc/76/06/61/1247760661.db2.gz DRFPVLZRPUKIKE-OAQYLSRUSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001072910265 1255482716 /nfs/dbraw/zinc/48/27/16/1255482716.db2.gz YDPLGZSYRBVMQN-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001072910265 1255482720 /nfs/dbraw/zinc/48/27/20/1255482720.db2.gz YDPLGZSYRBVMQN-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001072910265 1255482721 /nfs/dbraw/zinc/48/27/21/1255482721.db2.gz YDPLGZSYRBVMQN-IBGZPJMESA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099257505 1258044223 /nfs/dbraw/zinc/04/42/23/1258044223.db2.gz GFODJDBVAUGPPG-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCCC)C[C@H]32)CC1 ZINC001190317539 1280790708 /nfs/dbraw/zinc/79/07/08/1280790708.db2.gz GUCZBEDNKXMCPO-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@@H+](C)CC#Cc3ccccc3)C2)CCC1 ZINC001190644753 1280992127 /nfs/dbraw/zinc/99/21/27/1280992127.db2.gz LRMRNKOXWUHOEL-IBGZPJMESA-N 2 1 339.483 2.055 20 30 EEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946586 1281722671 /nfs/dbraw/zinc/72/26/71/1281722671.db2.gz DQCGVRSTROEYLG-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191946586 1281722679 /nfs/dbraw/zinc/72/26/79/1281722679.db2.gz DQCGVRSTROEYLG-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191946586 1281722690 /nfs/dbraw/zinc/72/26/90/1281722690.db2.gz DQCGVRSTROEYLG-RBUKOAKNSA-N 2 1 331.504 2.340 20 30 EEEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275277 1282949514 /nfs/dbraw/zinc/94/95/14/1282949514.db2.gz QVMWSBZGEQUZES-OALUTQOASA-N 2 1 345.487 2.025 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194275277 1282949516 /nfs/dbraw/zinc/94/95/16/1282949516.db2.gz QVMWSBZGEQUZES-OALUTQOASA-N 2 1 345.487 2.025 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001196341416 1284008219 /nfs/dbraw/zinc/00/82/19/1284008219.db2.gz OMPCAZPRFSKNIO-IAGOWNOFSA-N 2 1 330.476 2.335 20 30 EEEDMP C=CC[NH2+][C@@H](CNC(=O)CC[N@H+](C)CCC)c1ccccc1OC ZINC001198968997 1285450529 /nfs/dbraw/zinc/45/05/29/1285450529.db2.gz RCVMGXPZZXFDSX-KRWDZBQOSA-N 2 1 333.476 2.360 20 30 EEEDMP C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852102530 1291993650 /nfs/dbraw/zinc/99/36/50/1291993650.db2.gz YUSFHQRABTWOPC-ILZDJORESA-N 2 1 327.472 2.157 20 30 EEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001073455604 1297081725 /nfs/dbraw/zinc/08/17/25/1297081725.db2.gz KJFWFXJTLGNCQH-UHFFFAOYSA-N 2 1 327.472 2.472 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363182 1297642227 /nfs/dbraw/zinc/64/22/27/1297642227.db2.gz KDUMHISNMRMHQI-ZWKOTPCHSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099521394 1299181109 /nfs/dbraw/zinc/18/11/09/1299181109.db2.gz QOPICIZKUZQPPB-OKYOBFRVSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001227849399 1301987199 /nfs/dbraw/zinc/98/71/99/1301987199.db2.gz RUKXTQNPNCCAKK-SFHVURJKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001227849399 1301987205 /nfs/dbraw/zinc/98/72/05/1301987205.db2.gz RUKXTQNPNCCAKK-SFHVURJKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001103269658 1302621208 /nfs/dbraw/zinc/62/12/08/1302621208.db2.gz IYXPEYXIUMXKBW-IEBWSBKVSA-N 2 1 341.499 2.112 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001103753497 1303298087 /nfs/dbraw/zinc/29/80/87/1303298087.db2.gz LUBNGGBXDFUVBJ-QZTJIDSGSA-N 2 1 341.499 2.459 20 30 EEEDMP C=CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1cccnc1 ZINC001230784277 1303455625 /nfs/dbraw/zinc/45/56/25/1303455625.db2.gz ZQGPUIINXDGBLI-GOSISDBHSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cccnc1 ZINC001230784277 1303455628 /nfs/dbraw/zinc/45/56/28/1303455628.db2.gz ZQGPUIINXDGBLI-GOSISDBHSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cccnc1 ZINC001230784277 1303455630 /nfs/dbraw/zinc/45/56/30/1303455630.db2.gz ZQGPUIINXDGBLI-GOSISDBHSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116147 1304254775 /nfs/dbraw/zinc/25/47/75/1304254775.db2.gz MVEHGWWUOFTXAA-HUUCEWRRSA-N 2 1 347.425 2.416 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(C#N)c1 ZINC000799597189 1305319641 /nfs/dbraw/zinc/31/96/41/1305319641.db2.gz LECUAOUZYIODAC-IBGZPJMESA-N 2 1 342.487 2.355 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC=C)CCCCC1 ZINC001115578028 1305412771 /nfs/dbraw/zinc/41/27/71/1305412771.db2.gz VKBPATGGMIPKFI-SFHVURJKSA-N 2 1 331.504 2.459 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC=C)CCCCC1 ZINC001115578028 1305412782 /nfs/dbraw/zinc/41/27/82/1305412782.db2.gz VKBPATGGMIPKFI-SFHVURJKSA-N 2 1 331.504 2.459 20 30 EEEDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001236083033 1305497435 /nfs/dbraw/zinc/49/74/35/1305497435.db2.gz LSQSOXBESYEDOM-UHFFFAOYSA-N 2 1 333.479 2.423 20 30 EEEDMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@@H+]([C@H](C)CCCC#N)C2 ZINC001246667534 1310376444 /nfs/dbraw/zinc/37/64/44/1310376444.db2.gz GYAGUQBBUNHJIX-BPLDGKMQSA-N 2 1 347.381 2.086 20 30 EEEDMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@H+]([C@H](C)CCCC#N)C2 ZINC001246667534 1310376452 /nfs/dbraw/zinc/37/64/52/1310376452.db2.gz GYAGUQBBUNHJIX-BPLDGKMQSA-N 2 1 347.381 2.086 20 30 EEEDMP N#Cc1ccc2c(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c[nH]c2c1 ZINC001142922694 1315801235 /nfs/dbraw/zinc/80/12/35/1315801235.db2.gz QVBRVNQRNQRIJB-UHFFFAOYSA-N 2 1 337.471 2.253 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001149881427 1316076517 /nfs/dbraw/zinc/07/65/17/1316076517.db2.gz NPYLWNMJBVYXEX-GOSISDBHSA-N 2 1 349.519 2.036 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001150452628 1316268170 /nfs/dbraw/zinc/26/81/70/1316268170.db2.gz HLNYFTWHPFHKSJ-MSOLQXFVSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001155883966 1317777177 /nfs/dbraw/zinc/77/71/77/1317777177.db2.gz TXBAKXUPFMPEPH-QZTJIDSGSA-N 2 1 341.540 2.382 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156201302 1317918590 /nfs/dbraw/zinc/91/85/90/1317918590.db2.gz YVFYRRBDXMWQAF-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC001156201302 1317918595 /nfs/dbraw/zinc/91/85/95/1317918595.db2.gz YVFYRRBDXMWQAF-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC001156201302 1317918597 /nfs/dbraw/zinc/91/85/97/1317918597.db2.gz YVFYRRBDXMWQAF-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158541837 1319293818 /nfs/dbraw/zinc/29/38/18/1319293818.db2.gz WCWOMYQLRTYQGR-QGZVFWFLSA-N 2 1 330.476 2.343 20 30 EEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158541837 1319293828 /nfs/dbraw/zinc/29/38/28/1319293828.db2.gz WCWOMYQLRTYQGR-QGZVFWFLSA-N 2 1 330.476 2.343 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161445424 1320503937 /nfs/dbraw/zinc/50/39/37/1320503937.db2.gz RTZYVDGZPSTITG-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161445424 1320503942 /nfs/dbraw/zinc/50/39/42/1320503942.db2.gz RTZYVDGZPSTITG-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161445424 1320503945 /nfs/dbraw/zinc/50/39/45/1320503945.db2.gz RTZYVDGZPSTITG-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553537 1320536194 /nfs/dbraw/zinc/53/61/94/1320536194.db2.gz DKINNXSZDPPSDT-UHFFFAOYSA-N 2 1 349.519 2.059 20 30 EEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001161598652 1320552726 /nfs/dbraw/zinc/55/27/26/1320552726.db2.gz OSPUTIYSUFMCDM-UHFFFAOYSA-N 2 1 349.519 2.202 20 30 EEEDMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001164449693 1321382236 /nfs/dbraw/zinc/38/22/36/1321382236.db2.gz QEBRBCUKYLLQKH-HNNXBMFYSA-N 2 1 348.516 2.338 20 30 EEEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203469834 1321889148 /nfs/dbraw/zinc/88/91/48/1321889148.db2.gz ZDOHKMACTZPFBA-IRXDYDNUSA-N 2 1 342.487 2.437 20 30 EEEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001205590908 1323208346 /nfs/dbraw/zinc/20/83/46/1323208346.db2.gz XNBXYBJTSJTDMZ-UHFFFAOYSA-N 2 1 334.464 2.144 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205678612 1323240634 /nfs/dbraw/zinc/24/06/34/1323240634.db2.gz MDUCEKQCYJBCGQ-FUHWJXTLSA-N 2 1 333.451 2.238 20 30 EEEDMP COC(=O)CC[N@H+](CCCc1cccc(C#N)c1)CCC[NH+](C)C ZINC001208852406 1324691192 /nfs/dbraw/zinc/69/11/92/1324691192.db2.gz JETUCZPSIBJBMM-UHFFFAOYSA-N 2 1 331.460 2.308 20 30 EEEDMP C#CC[C@H]1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC001574545124 1343682460 /nfs/dbraw/zinc/68/24/60/1343682460.db2.gz NLNOEUAMIBYSMB-SFHVURJKSA-N 2 1 339.483 2.242 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001112396944 1371430576 /nfs/dbraw/zinc/43/05/76/1371430576.db2.gz LSRDZZVEZDWPCX-DSKINZAPSA-N 2 1 343.515 2.245 20 30 EEEDMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C#N)s1 ZINC001377494003 1379295718 /nfs/dbraw/zinc/29/57/18/1379295718.db2.gz VRZJRSSUVRGBET-UHFFFAOYSA-N 2 1 348.516 2.432 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001398455487 1392791636 /nfs/dbraw/zinc/79/16/36/1392791636.db2.gz XXLDZAZWDYJNNP-INIZCTEOSA-N 2 1 345.834 2.118 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001399941896 1395703332 /nfs/dbraw/zinc/70/33/32/1395703332.db2.gz WTDNUEGXYNXQER-RHSMWYFYSA-N 2 1 348.516 2.144 20 30 EEEDMP C[N@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001400628733 1396479166 /nfs/dbraw/zinc/47/91/66/1396479166.db2.gz CXOXNOQIOVWTRF-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001400628733 1396479170 /nfs/dbraw/zinc/47/91/70/1396479170.db2.gz CXOXNOQIOVWTRF-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP C[NH+](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001400628733 1396479179 /nfs/dbraw/zinc/47/91/79/1396479179.db2.gz CXOXNOQIOVWTRF-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001400628733 1396479188 /nfs/dbraw/zinc/47/91/88/1396479188.db2.gz CXOXNOQIOVWTRF-SFHVURJKSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccccc2C#N)C1 ZINC001423574872 1400646177 /nfs/dbraw/zinc/64/61/77/1400646177.db2.gz ATFDEXKRYXGKRY-HXUWFJFHSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccccc2C#N)C1 ZINC001423574872 1400646180 /nfs/dbraw/zinc/64/61/80/1400646180.db2.gz ATFDEXKRYXGKRY-HXUWFJFHSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001423574872 1400646185 /nfs/dbraw/zinc/64/61/85/1400646185.db2.gz ATFDEXKRYXGKRY-HXUWFJFHSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001423574872 1400646190 /nfs/dbraw/zinc/64/61/90/1400646190.db2.gz ATFDEXKRYXGKRY-HXUWFJFHSA-N 2 1 342.487 2.371 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001423663359 1400728125 /nfs/dbraw/zinc/72/81/25/1400728125.db2.gz WWUMKQVSYRUXBD-FQEVSTJZSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCN(Cc2ccc(C#N)s2)[C@H]1C ZINC001425934119 1401811427 /nfs/dbraw/zinc/81/14/27/1401811427.db2.gz IJHWMVAZJQFHJG-YOEHRIQHSA-N 2 1 348.516 2.431 20 30 EEEDMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1cccc(C#N)c1)CC[NH2+]CC2 ZINC001576638030 1403594760 /nfs/dbraw/zinc/59/47/60/1403594760.db2.gz MTWZLHSTOZAOJL-OAHLLOKOSA-N 2 1 326.444 2.351 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC)CC2CC(C)C2)CC1 ZINC001753150135 1405817097 /nfs/dbraw/zinc/81/70/97/1405817097.db2.gz DSGZFAWMDFBOQP-UHFFFAOYSA-N 2 1 333.520 2.206 20 30 EEEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001755573920 1407644769 /nfs/dbraw/zinc/64/47/69/1407644769.db2.gz VHMBCGMSIOMDRH-RTBURBONSA-N 2 1 327.472 2.139 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@H]21 ZINC001755708188 1407761508 /nfs/dbraw/zinc/76/15/08/1407761508.db2.gz LEZWXQVGAWVBTM-DFQSSKMNSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967350 782663087 /nfs/dbraw/zinc/66/30/87/782663087.db2.gz SYVQWMGNXSKGJA-QRVBRYPASA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967350 782663090 /nfs/dbraw/zinc/66/30/90/782663090.db2.gz SYVQWMGNXSKGJA-QRVBRYPASA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967350 782663096 /nfs/dbraw/zinc/66/30/96/782663096.db2.gz SYVQWMGNXSKGJA-QRVBRYPASA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967351 782663547 /nfs/dbraw/zinc/66/35/47/782663547.db2.gz SYVQWMGNXSKGJA-QYZOEREBSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967351 782663551 /nfs/dbraw/zinc/66/35/51/782663551.db2.gz SYVQWMGNXSKGJA-QYZOEREBSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967351 782663557 /nfs/dbraw/zinc/66/35/57/782663557.db2.gz SYVQWMGNXSKGJA-QYZOEREBSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000979710252 770922176 /nfs/dbraw/zinc/92/21/76/770922176.db2.gz KDJSKBRYSCCWHT-BZSNNMDCSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC000979712483 770929315 /nfs/dbraw/zinc/92/93/15/770929315.db2.gz MUFBCCJVTXLNPN-IPMKNSEASA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942720487 783052083 /nfs/dbraw/zinc/05/20/83/783052083.db2.gz JLAQLTXEMKRMSY-RDJZCZTQSA-N 2 1 346.475 2.287 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942720487 783052088 /nfs/dbraw/zinc/05/20/88/783052088.db2.gz JLAQLTXEMKRMSY-RDJZCZTQSA-N 2 1 346.475 2.287 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886662 774010182 /nfs/dbraw/zinc/01/01/82/774010182.db2.gz VQFJAJJUUDTOOD-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027886662 774010189 /nfs/dbraw/zinc/01/01/89/774010189.db2.gz VQFJAJJUUDTOOD-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027886662 774010196 /nfs/dbraw/zinc/01/01/96/774010196.db2.gz VQFJAJJUUDTOOD-IEBWSBKVSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779244 783186992 /nfs/dbraw/zinc/18/69/92/783186992.db2.gz LHFUAAQVEZEFHM-BHYGNILZSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779244 783187004 /nfs/dbraw/zinc/18/70/04/783187004.db2.gz LHFUAAQVEZEFHM-BHYGNILZSA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779244 783187011 /nfs/dbraw/zinc/18/70/11/783187011.db2.gz LHFUAAQVEZEFHM-BHYGNILZSA-N 2 1 339.911 2.251 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089734834 774811950 /nfs/dbraw/zinc/81/19/50/774811950.db2.gz YPZDTUAGMHIXPN-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734834 774811958 /nfs/dbraw/zinc/81/19/58/774811958.db2.gz YPZDTUAGMHIXPN-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734834 774811969 /nfs/dbraw/zinc/81/19/69/774811969.db2.gz YPZDTUAGMHIXPN-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@H]12 ZINC000991786751 790493917 /nfs/dbraw/zinc/49/39/17/790493917.db2.gz SPPMACXBLORUCZ-AZUAARDMSA-N 2 1 349.438 2.017 20 30 EEEDMP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000981420078 777359291 /nfs/dbraw/zinc/35/92/91/777359291.db2.gz AFRUQZVLHUJGFW-HOTGVXAUSA-N 2 1 325.416 2.084 20 30 EEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000997648936 790540773 /nfs/dbraw/zinc/54/07/73/790540773.db2.gz LHZKWBBAJZZIQT-BBRMVZONSA-N 2 1 330.476 2.226 20 30 EEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851639 778034460 /nfs/dbraw/zinc/03/44/60/778034460.db2.gz XMPUDLYCDGKWTJ-MANSERQUSA-N 2 1 331.504 2.073 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851583 778034787 /nfs/dbraw/zinc/03/47/87/778034787.db2.gz WWWSGCVLIQBYIJ-OKYOBFRVSA-N 2 1 331.504 2.073 20 30 EEEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000981768763 778184235 /nfs/dbraw/zinc/18/42/35/778184235.db2.gz RNYJLCCZZRSPEA-GOSISDBHSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC000981768763 778184240 /nfs/dbraw/zinc/18/42/40/778184240.db2.gz RNYJLCCZZRSPEA-GOSISDBHSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC000981768763 778184246 /nfs/dbraw/zinc/18/42/46/778184246.db2.gz RNYJLCCZZRSPEA-GOSISDBHSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333262 779752751 /nfs/dbraw/zinc/75/27/51/779752751.db2.gz YCFCGPNTZICDIO-RLLQIKCJSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333262 779752753 /nfs/dbraw/zinc/75/27/53/779752753.db2.gz YCFCGPNTZICDIO-RLLQIKCJSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333262 779752755 /nfs/dbraw/zinc/75/27/55/779752755.db2.gz YCFCGPNTZICDIO-RLLQIKCJSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087453388 780857066 /nfs/dbraw/zinc/85/70/66/780857066.db2.gz QIFWIXPNWYTZCO-GUDVDZBRSA-N 2 1 345.462 2.380 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001035197114 784030435 /nfs/dbraw/zinc/03/04/35/784030435.db2.gz ILYCSJRTVZDKDF-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)CC2 ZINC001035197114 784030439 /nfs/dbraw/zinc/03/04/39/784030439.db2.gz ILYCSJRTVZDKDF-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)CC2 ZINC001035197114 784030444 /nfs/dbraw/zinc/03/04/44/784030444.db2.gz ILYCSJRTVZDKDF-RBUKOAKNSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244111 784175041 /nfs/dbraw/zinc/17/50/41/784175041.db2.gz IXCXNWBRJQPUIC-OALUTQOASA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035721502 785016130 /nfs/dbraw/zinc/01/61/30/785016130.db2.gz AKSVMGXIASVICC-GOSISDBHSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000996761321 787396796 /nfs/dbraw/zinc/39/67/96/787396796.db2.gz FSQDMNNQYMPXMB-INIZCTEOSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107578851 787732248 /nfs/dbraw/zinc/73/22/48/787732248.db2.gz DCLMKPOJZUNYEI-UYAOXDASSA-N 2 1 342.487 2.356 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107578851 787732255 /nfs/dbraw/zinc/73/22/55/787732255.db2.gz DCLMKPOJZUNYEI-UYAOXDASSA-N 2 1 342.487 2.356 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652469 787991984 /nfs/dbraw/zinc/99/19/84/787991984.db2.gz WAIXDOOQRILNIV-UYAOXDASSA-N 2 1 331.504 2.247 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171120632 789040753 /nfs/dbraw/zinc/04/07/53/789040753.db2.gz OPSJDIGJNYBNKU-ROUUACIJSA-N 2 1 339.524 2.328 20 30 EEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148436076 792415274 /nfs/dbraw/zinc/41/52/74/792415274.db2.gz HDTKWYOSNJOXIF-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148436076 792415281 /nfs/dbraw/zinc/41/52/81/792415281.db2.gz HDTKWYOSNJOXIF-UHFFFAOYSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148838598 792735651 /nfs/dbraw/zinc/73/56/51/792735651.db2.gz BOEIOFKGYMEECL-UHFFFAOYSA-N 2 1 325.884 2.149 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148838598 792735657 /nfs/dbraw/zinc/73/56/57/792735657.db2.gz BOEIOFKGYMEECL-UHFFFAOYSA-N 2 1 325.884 2.149 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092296607 793811584 /nfs/dbraw/zinc/81/15/84/793811584.db2.gz LGWDRCFJYLWCFM-CTNGQTDRSA-N 2 1 339.483 2.165 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418228 793989235 /nfs/dbraw/zinc/98/92/35/793989235.db2.gz FBKRFAZAIHDYNT-QZTJIDSGSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418228 793989244 /nfs/dbraw/zinc/98/92/44/793989244.db2.gz FBKRFAZAIHDYNT-QZTJIDSGSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418228 793989250 /nfs/dbraw/zinc/98/92/50/793989250.db2.gz FBKRFAZAIHDYNT-QZTJIDSGSA-N 2 1 339.524 2.257 20 30 EEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000999399879 794385729 /nfs/dbraw/zinc/38/57/29/794385729.db2.gz ILBFHRGZXFCDPU-JTTJXQCZSA-N 2 1 325.472 2.354 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092966119 794503981 /nfs/dbraw/zinc/50/39/81/794503981.db2.gz RUOUBIDJWDQHFJ-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092966119 794503987 /nfs/dbraw/zinc/50/39/87/794503987.db2.gz RUOUBIDJWDQHFJ-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759377 794833824 /nfs/dbraw/zinc/83/38/24/794833824.db2.gz KZJSOHCMQDPUPH-HZPDHXFCSA-N 2 1 337.895 2.290 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093381093 795120927 /nfs/dbraw/zinc/12/09/27/795120927.db2.gz GOJCLIYYKHQTAC-PXNSSMCTSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001093381093 795120930 /nfs/dbraw/zinc/12/09/30/795120930.db2.gz GOJCLIYYKHQTAC-PXNSSMCTSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001093381093 795120933 /nfs/dbraw/zinc/12/09/33/795120933.db2.gz GOJCLIYYKHQTAC-PXNSSMCTSA-N 2 1 343.515 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430323 796221317 /nfs/dbraw/zinc/22/13/17/796221317.db2.gz LKNKQXIGKGFQMR-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430323 796221323 /nfs/dbraw/zinc/22/13/23/796221323.db2.gz LKNKQXIGKGFQMR-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430323 796221328 /nfs/dbraw/zinc/22/13/28/796221328.db2.gz LKNKQXIGKGFQMR-NLWGTHIKSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503263 796321877 /nfs/dbraw/zinc/32/18/77/796321877.db2.gz DYIQRZWRXDTCGB-SJLPKXTDSA-N 2 1 339.911 2.442 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993622242 796847681 /nfs/dbraw/zinc/84/76/81/796847681.db2.gz OEVYHIBSABJBGG-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993622242 796847686 /nfs/dbraw/zinc/84/76/86/796847686.db2.gz OEVYHIBSABJBGG-JKSUJKDBSA-N 2 1 330.476 2.307 20 30 EEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3cc(C#N)ccn3)CC1)C2 ZINC001172125382 796877631 /nfs/dbraw/zinc/87/76/31/796877631.db2.gz PZPMMNNEQWTSPA-PIIMJCKOSA-N 2 1 325.460 2.091 20 30 EEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3cc(C#N)ccn3)CC1)C2 ZINC001172125382 796877635 /nfs/dbraw/zinc/87/76/35/796877635.db2.gz PZPMMNNEQWTSPA-PIIMJCKOSA-N 2 1 325.460 2.091 20 30 EEEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001172498950 797009428 /nfs/dbraw/zinc/00/94/28/797009428.db2.gz PNHDNJIVCGLSIR-XUVXKRRUSA-N 2 1 348.535 2.330 20 30 EEEDMP C[C@@H](CCCC#N)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001172498950 797009430 /nfs/dbraw/zinc/00/94/30/797009430.db2.gz PNHDNJIVCGLSIR-XUVXKRRUSA-N 2 1 348.535 2.330 20 30 EEEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001172498950 797009437 /nfs/dbraw/zinc/00/94/37/797009437.db2.gz PNHDNJIVCGLSIR-XUVXKRRUSA-N 2 1 348.535 2.330 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001106840306 797240876 /nfs/dbraw/zinc/24/08/76/797240876.db2.gz GWDRSZZSZDFJRQ-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H](OC)C1 ZINC001082319982 797446767 /nfs/dbraw/zinc/44/67/67/797446767.db2.gz RWWJEVBXUJXZRJ-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H](OC)C1 ZINC001082319982 797446772 /nfs/dbraw/zinc/44/67/72/797446772.db2.gz RWWJEVBXUJXZRJ-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](OC)C1 ZINC001082319982 797446775 /nfs/dbraw/zinc/44/67/75/797446775.db2.gz RWWJEVBXUJXZRJ-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](OC)C1 ZINC001082319982 797446781 /nfs/dbraw/zinc/44/67/81/797446781.db2.gz RWWJEVBXUJXZRJ-FGTMMUONSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262736 798060113 /nfs/dbraw/zinc/06/01/13/798060113.db2.gz LCTXVIFMIPSBNA-VQIMIIECSA-N 2 1 339.499 2.487 20 30 EEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404318 798411079 /nfs/dbraw/zinc/41/10/79/798411079.db2.gz VVQMMSYTKCPTBS-QZTJIDSGSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404318 798411083 /nfs/dbraw/zinc/41/10/83/798411083.db2.gz VVQMMSYTKCPTBS-QZTJIDSGSA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404318 798411086 /nfs/dbraw/zinc/41/10/86/798411086.db2.gz VVQMMSYTKCPTBS-QZTJIDSGSA-N 2 1 333.520 2.204 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978586 798591209 /nfs/dbraw/zinc/59/12/09/798591209.db2.gz ZWCDODGHCOWEQU-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978586 798591213 /nfs/dbraw/zinc/59/12/13/798591213.db2.gz ZWCDODGHCOWEQU-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978586 798591219 /nfs/dbraw/zinc/59/12/19/798591219.db2.gz ZWCDODGHCOWEQU-QYZOEREBSA-N 2 1 331.504 2.053 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001177151944 798776957 /nfs/dbraw/zinc/77/69/57/798776957.db2.gz WZGPXTAJSQYWNA-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001177151944 798776961 /nfs/dbraw/zinc/77/69/61/798776961.db2.gz WZGPXTAJSQYWNA-RBUKOAKNSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001112586047 806698326 /nfs/dbraw/zinc/69/83/26/806698326.db2.gz FCHXDTKNJAMOQU-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(Br)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180259505 800336556 /nfs/dbraw/zinc/33/65/56/800336556.db2.gz ITPLBPMGGRULDD-CQSZACIVSA-N 2 1 346.313 2.113 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003967207 800675799 /nfs/dbraw/zinc/67/57/99/800675799.db2.gz JFZYXVLVFIETSA-ZBFHGGJFSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001004444843 802057548 /nfs/dbraw/zinc/05/75/48/802057548.db2.gz BMDHMOASKALZCA-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004444843 802057555 /nfs/dbraw/zinc/05/75/55/802057555.db2.gz BMDHMOASKALZCA-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001004444843 802057562 /nfs/dbraw/zinc/05/75/62/802057562.db2.gz BMDHMOASKALZCA-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001108073636 802119675 /nfs/dbraw/zinc/11/96/75/802119675.db2.gz ONZZZOJSAFPFJV-IBGZPJMESA-N 2 1 342.443 2.121 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004466366 802141274 /nfs/dbraw/zinc/14/12/74/802141274.db2.gz USQURRRMDMCPJL-OALUTQOASA-N 2 1 333.520 2.299 20 30 EEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001185169449 802373731 /nfs/dbraw/zinc/37/37/31/802373731.db2.gz LQQLVFPDIDLHFU-HZPDHXFCSA-N 2 1 346.475 2.144 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633159 802469125 /nfs/dbraw/zinc/46/91/25/802469125.db2.gz KUENYTNSIHICTQ-BBWFWOEESA-N 2 1 341.927 2.496 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086390290 802877776 /nfs/dbraw/zinc/87/77/76/802877776.db2.gz LPAWYDDSFBXONH-FHWLQOOXSA-N 2 1 329.488 2.069 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086390290 802877781 /nfs/dbraw/zinc/87/77/81/802877781.db2.gz LPAWYDDSFBXONH-FHWLQOOXSA-N 2 1 329.488 2.069 20 30 EEEDMP C=CCC[C@H](C)N1CCn2ncc(CNC(=O)C[N@H+](C)CCC)c2C1 ZINC001128560773 803088638 /nfs/dbraw/zinc/08/86/38/803088638.db2.gz XWNYBCKOFGPUTL-INIZCTEOSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCn2ncc(CNC(=O)C[N@@H+](C)CCC)c2C1 ZINC001128560773 803088641 /nfs/dbraw/zinc/08/86/41/803088641.db2.gz XWNYBCKOFGPUTL-INIZCTEOSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCn2ncc(CNC(=O)C[N@H+](C)CCC)c2C1 ZINC001128560773 803088647 /nfs/dbraw/zinc/08/86/47/803088647.db2.gz XWNYBCKOFGPUTL-INIZCTEOSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCn2ncc(CNC(=O)C[NH+](C)CCC)c2C1 ZINC001128560773 803088653 /nfs/dbraw/zinc/08/86/53/803088653.db2.gz XWNYBCKOFGPUTL-INIZCTEOSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2cncc2C[C@@H]([NH3+])CO)cc1 ZINC001169075008 803604898 /nfs/dbraw/zinc/60/48/98/803604898.db2.gz FAHCOTPJDAHXFC-VQIMIIECSA-N 2 1 326.444 2.057 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001112964475 807715154 /nfs/dbraw/zinc/71/51/54/807715154.db2.gz XVRKURPGVDXCHW-IEBWSBKVSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001131666842 813095397 /nfs/dbraw/zinc/09/53/97/813095397.db2.gz SZCXUEUTILUCFP-MJGOQNOKSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[C@@H](C(=O)NCCC[N@@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001566508566 1125678614 /nfs/dbraw/zinc/67/86/14/1125678614.db2.gz IYEWQEDQJQZWBR-SFHVURJKSA-N 2 1 349.906 2.470 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(C#N)c1 ZINC001438880026 1091523998 /nfs/dbraw/zinc/52/39/98/1091523998.db2.gz SWUKATRCJKCWQI-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC001438880026 1091524006 /nfs/dbraw/zinc/52/40/06/1091524006.db2.gz SWUKATRCJKCWQI-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001438880026 1091524008 /nfs/dbraw/zinc/52/40/08/1091524008.db2.gz SWUKATRCJKCWQI-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC001441591063 1095421483 /nfs/dbraw/zinc/42/14/83/1095421483.db2.gz VNKVKHXAMOGWFU-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001441591063 1095421491 /nfs/dbraw/zinc/42/14/91/1095421491.db2.gz VNKVKHXAMOGWFU-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001441591063 1095421495 /nfs/dbraw/zinc/42/14/95/1095421495.db2.gz VNKVKHXAMOGWFU-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP C=C(Br)C[NH+]1CC[C@@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001443268403 1097750302 /nfs/dbraw/zinc/75/03/02/1097750302.db2.gz RPMMOOYJLAJTSV-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[NH+]1CC[C@@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001443268403 1097750307 /nfs/dbraw/zinc/75/03/07/1097750307.db2.gz RPMMOOYJLAJTSV-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001443268403 1097750312 /nfs/dbraw/zinc/75/03/12/1097750312.db2.gz RPMMOOYJLAJTSV-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP C=C(Br)C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001443268403 1097750317 /nfs/dbraw/zinc/75/03/17/1097750317.db2.gz RPMMOOYJLAJTSV-CQSZACIVSA-N 2 1 346.313 2.065 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001444521153 1099271302 /nfs/dbraw/zinc/27/13/02/1099271302.db2.gz AWCUQQJOMCACGC-UHFFFAOYSA-N 2 1 342.487 2.419 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480536570 1100366306 /nfs/dbraw/zinc/36/63/06/1100366306.db2.gz IHPJRQYDOSMIFH-OAHLLOKOSA-N 2 1 330.476 2.130 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001507328500 1115195259 /nfs/dbraw/zinc/19/52/59/1115195259.db2.gz PHHHMHAJKTVHTA-RHSMWYFYSA-N 2 1 346.450 2.118 20 30 EEEDMP CN(Cc1nccn1CC(F)(F)F)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329325236 539771890 /nfs/dbraw/zinc/77/18/90/539771890.db2.gz VZULDUYQWJVBOF-NSHDSACASA-N 2 1 345.369 2.028 20 30 EEEDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442767271 242110178 /nfs/dbraw/zinc/11/01/78/242110178.db2.gz MJWMXKLUBYWLTP-SJLPKXTDSA-N 2 1 331.460 2.425 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396960 781985529 /nfs/dbraw/zinc/98/55/29/781985529.db2.gz ZTOJWHVDDCQFRJ-FQEVSTJZSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396960 781985537 /nfs/dbraw/zinc/98/55/37/781985537.db2.gz ZTOJWHVDDCQFRJ-FQEVSTJZSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396960 781985546 /nfs/dbraw/zinc/98/55/46/781985546.db2.gz ZTOJWHVDDCQFRJ-FQEVSTJZSA-N 2 1 345.531 2.443 20 30 EEEDMP C[NH+](C)[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000344012937 161189901 /nfs/dbraw/zinc/18/99/01/161189901.db2.gz JKQIFPAXPKFDEF-FQEVSTJZSA-N 2 1 326.488 2.452 20 30 EEEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N2CCOCC2)C1 ZINC000104162872 533695226 /nfs/dbraw/zinc/69/52/26/533695226.db2.gz XWZLTCKJWACDNK-MRXNPFEDSA-N 2 1 330.476 2.065 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000153035890 462608176 /nfs/dbraw/zinc/60/81/76/462608176.db2.gz IPWRGHOWJLBRNI-OAHLLOKOSA-N 2 1 326.448 2.353 20 30 EEEDMP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261937460 463905784 /nfs/dbraw/zinc/90/57/84/463905784.db2.gz CSXZXGBFPUVKBN-RDJZCZTQSA-N 2 1 342.491 2.036 20 30 EEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@H]1CCOc2ccccc21 ZINC000262777591 464045421 /nfs/dbraw/zinc/04/54/21/464045421.db2.gz KGCIALBMTNHPAF-MAUKXSAKSA-N 2 1 348.516 2.113 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000290869354 464135522 /nfs/dbraw/zinc/13/55/22/464135522.db2.gz AUNAAFXONKRCAV-HOTGVXAUSA-N 2 1 347.482 2.041 20 30 EEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N[C@@H](C)COC)c1cccc(OC)c1 ZINC000264060802 464278519 /nfs/dbraw/zinc/27/85/19/464278519.db2.gz CSZWFOUICHKNFJ-YOEHRIQHSA-N 2 1 336.480 2.017 20 30 EEEDMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000303040090 466219005 /nfs/dbraw/zinc/21/90/05/466219005.db2.gz LYSCWPYJIGHXHS-SFHVURJKSA-N 2 1 331.460 2.103 20 30 EEEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000303040090 466219011 /nfs/dbraw/zinc/21/90/11/466219011.db2.gz LYSCWPYJIGHXHS-SFHVURJKSA-N 2 1 331.460 2.103 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424152068 466991433 /nfs/dbraw/zinc/99/14/33/466991433.db2.gz IBKZRIQVUNICJG-BPQIPLTHSA-N 2 1 328.460 2.177 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000582487581 468548062 /nfs/dbraw/zinc/54/80/62/468548062.db2.gz GGTIKGJZSAUWEI-UHFFFAOYSA-N 2 1 326.448 2.153 20 30 EEEDMP N#Cc1cccc(NC(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602845414 469112512 /nfs/dbraw/zinc/11/25/12/469112512.db2.gz KMRWCSSASVZNAE-UHFFFAOYSA-N 2 1 335.411 2.104 20 30 EEEDMP N#Cc1cccc(NC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602845414 469112520 /nfs/dbraw/zinc/11/25/20/469112520.db2.gz KMRWCSSASVZNAE-UHFFFAOYSA-N 2 1 335.411 2.104 20 30 EEEDMP C[NH+](C)CCCNC(=S)N[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000731928607 577135851 /nfs/dbraw/zinc/13/58/51/577135851.db2.gz LTGWVEXWLSBHEQ-UHFFFAOYSA-N 2 1 347.532 2.427 20 30 EEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969832113 675236705 /nfs/dbraw/zinc/23/67/05/675236705.db2.gz DWKHIJLUENGQAQ-APWZRJJASA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969864359 675265559 /nfs/dbraw/zinc/26/55/59/675265559.db2.gz AZTCVPONTLNINU-PXNSSMCTSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969864359 675265561 /nfs/dbraw/zinc/26/55/61/675265561.db2.gz AZTCVPONTLNINU-PXNSSMCTSA-N 2 1 343.515 2.411 20 30 EEEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970953950 676266929 /nfs/dbraw/zinc/26/69/29/676266929.db2.gz ILKIQUNSXODSKF-HNNXBMFYSA-N 2 1 331.460 2.195 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC4CC4)CC[C@@H]32)CC1 ZINC001021738889 676397117 /nfs/dbraw/zinc/39/71/17/676397117.db2.gz DLKXWODBCHJCEX-PMACEKPBSA-N 2 1 343.515 2.055 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)CCC1 ZINC000971673217 676732389 /nfs/dbraw/zinc/73/23/89/676732389.db2.gz CYRJSXXJISEUPU-SFHVURJKSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000971705592 676748480 /nfs/dbraw/zinc/74/84/80/676748480.db2.gz FPGXJKXVUWHIBN-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC000971705592 676748482 /nfs/dbraw/zinc/74/84/82/676748482.db2.gz FPGXJKXVUWHIBN-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000971705592 676748483 /nfs/dbraw/zinc/74/84/83/676748483.db2.gz FPGXJKXVUWHIBN-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC000971705592 676748485 /nfs/dbraw/zinc/74/84/85/676748485.db2.gz FPGXJKXVUWHIBN-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC000971705592 676748487 /nfs/dbraw/zinc/74/84/87/676748487.db2.gz FPGXJKXVUWHIBN-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001022717104 678320339 /nfs/dbraw/zinc/32/03/39/678320339.db2.gz PLZAVUBSOLSTJB-HDICACEKSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553123 679374263 /nfs/dbraw/zinc/37/42/63/679374263.db2.gz VWNGVYWHPHFLFS-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001023761853 679566759 /nfs/dbraw/zinc/56/67/59/679566759.db2.gz KQOVNETXWCYURH-GOSISDBHSA-N 2 1 333.520 2.206 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001028603596 681359493 /nfs/dbraw/zinc/35/94/93/681359493.db2.gz DUHRILZHILRGGX-MJGOQNOKSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001028603596 681359497 /nfs/dbraw/zinc/35/94/97/681359497.db2.gz DUHRILZHILRGGX-MJGOQNOKSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001028603596 681359502 /nfs/dbraw/zinc/35/95/02/681359502.db2.gz DUHRILZHILRGGX-MJGOQNOKSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001028603596 681359508 /nfs/dbraw/zinc/35/95/08/681359508.db2.gz DUHRILZHILRGGX-MJGOQNOKSA-N 2 1 343.515 2.102 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(CN(C)C)on1 ZINC001025246781 682315636 /nfs/dbraw/zinc/31/56/36/682315636.db2.gz ZGYDWSWLIJZADR-ZWKOTPCHSA-N 2 1 346.475 2.381 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ncc(C#N)s3)CC2)CC1 ZINC000896487702 684995747 /nfs/dbraw/zinc/99/57/47/684995747.db2.gz JBGHFVGMHQGBFE-UHFFFAOYSA-N 2 1 347.488 2.150 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C(C)(C)C1 ZINC000974598899 685113916 /nfs/dbraw/zinc/11/39/16/685113916.db2.gz KRIRMIGYLIMWJJ-IAGOWNOFSA-N 2 1 345.491 2.193 20 30 EEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000985432123 686709244 /nfs/dbraw/zinc/70/92/44/686709244.db2.gz DKXMSESVOOCCLS-INIZCTEOSA-N 2 1 325.884 2.004 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CC(C)(C)C2)CC1 ZINC000985477006 686984867 /nfs/dbraw/zinc/98/48/67/686984867.db2.gz YIDRADRRQVCJIK-IBGZPJMESA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC000985477006 686984870 /nfs/dbraw/zinc/98/48/70/686984870.db2.gz YIDRADRRQVCJIK-IBGZPJMESA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2CC(C)(C)C2)CC1 ZINC000985477006 686984876 /nfs/dbraw/zinc/98/48/76/686984876.db2.gz YIDRADRRQVCJIK-IBGZPJMESA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2CC(C)(C)C2)CC1 ZINC000985477006 686984879 /nfs/dbraw/zinc/98/48/79/686984879.db2.gz YIDRADRRQVCJIK-IBGZPJMESA-N 2 1 345.531 2.443 20 30 EEEDMP C[NH+]=C(NCCc1ccc(Cl)s1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262793603 688479457 /nfs/dbraw/zinc/47/94/57/688479457.db2.gz NSDSMQMTKOJELI-LLVKDONJSA-N 2 1 326.897 2.346 20 30 EEEDMP C[NH+]=C(NCCc1ccc(Cl)s1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262793603 688479460 /nfs/dbraw/zinc/47/94/60/688479460.db2.gz NSDSMQMTKOJELI-LLVKDONJSA-N 2 1 326.897 2.346 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccsc3)CC2)CC1 ZINC000989734788 692230474 /nfs/dbraw/zinc/23/04/74/692230474.db2.gz CXTMNDIKWLWCSI-UHFFFAOYSA-N 2 1 345.512 2.128 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccsc3)CC2)CC1 ZINC000989734788 692230479 /nfs/dbraw/zinc/23/04/79/692230479.db2.gz CXTMNDIKWLWCSI-UHFFFAOYSA-N 2 1 345.512 2.128 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622895 692857791 /nfs/dbraw/zinc/85/77/91/692857791.db2.gz UGQKJYRAXOESDM-GOSISDBHSA-N 2 1 327.472 2.212 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978243845 693421832 /nfs/dbraw/zinc/42/18/32/693421832.db2.gz BIDQAOHRAJTABE-CADBVGFASA-N 2 1 333.520 2.225 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978243845 693421836 /nfs/dbraw/zinc/42/18/36/693421836.db2.gz BIDQAOHRAJTABE-CADBVGFASA-N 2 1 333.520 2.225 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978243845 693421839 /nfs/dbraw/zinc/42/18/39/693421839.db2.gz BIDQAOHRAJTABE-CADBVGFASA-N 2 1 333.520 2.225 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990763637 693627228 /nfs/dbraw/zinc/62/72/28/693627228.db2.gz OLGTUXVRCIQABO-AIANPOQGSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)CN1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990763637 693627216 /nfs/dbraw/zinc/62/72/16/693627216.db2.gz OLGTUXVRCIQABO-AIANPOQGSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990763637 693627220 /nfs/dbraw/zinc/62/72/20/693627220.db2.gz OLGTUXVRCIQABO-AIANPOQGSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990763637 693627223 /nfs/dbraw/zinc/62/72/23/693627223.db2.gz OLGTUXVRCIQABO-AIANPOQGSA-N 2 1 325.884 2.192 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990763637 693627226 /nfs/dbraw/zinc/62/72/26/693627226.db2.gz OLGTUXVRCIQABO-AIANPOQGSA-N 2 1 325.884 2.192 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001107038655 1192975793 /nfs/dbraw/zinc/97/57/93/1192975793.db2.gz BYQTWOWRHAYHOC-HUUCEWRRSA-N 2 1 348.516 2.144 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876636 1186754000 /nfs/dbraw/zinc/75/40/00/1186754000.db2.gz UMXNSQSTPSIWPH-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876636 1186754005 /nfs/dbraw/zinc/75/40/05/1186754005.db2.gz UMXNSQSTPSIWPH-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876636 1186754011 /nfs/dbraw/zinc/75/40/11/1186754011.db2.gz UMXNSQSTPSIWPH-GBESFXJTSA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431138 1186870050 /nfs/dbraw/zinc/87/00/50/1186870050.db2.gz JMMIDFYDNAUYJV-RTBURBONSA-N 2 1 327.472 2.283 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569218 1187406332 /nfs/dbraw/zinc/40/63/32/1187406332.db2.gz LAZZQEVNSFXGPW-AOIWGVFYSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569218 1187406333 /nfs/dbraw/zinc/40/63/33/1187406333.db2.gz LAZZQEVNSFXGPW-AOIWGVFYSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001105461954 1187526546 /nfs/dbraw/zinc/52/65/46/1187526546.db2.gz CPUHUZCUMIOEDN-FDYSRKEFSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105561703 1188178249 /nfs/dbraw/zinc/17/82/49/1188178249.db2.gz PRIYBRVJMUAHOP-MSOLQXFVSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076175710 1188761371 /nfs/dbraw/zinc/76/13/71/1188761371.db2.gz QXXKEKLCLASANO-YHUYYLMFSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076175710 1188761373 /nfs/dbraw/zinc/76/13/73/1188761373.db2.gz QXXKEKLCLASANO-YHUYYLMFSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076175710 1188761375 /nfs/dbraw/zinc/76/13/75/1188761375.db2.gz QXXKEKLCLASANO-YHUYYLMFSA-N 2 1 325.884 2.002 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076175710 1188761377 /nfs/dbraw/zinc/76/13/77/1188761377.db2.gz QXXKEKLCLASANO-YHUYYLMFSA-N 2 1 325.884 2.002 20 30 EEEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccc(C#N)cc3)CCC2)C1 ZINC001484653651 1191457402 /nfs/dbraw/zinc/45/74/02/1191457402.db2.gz SURFOTFUBNXNAY-MRXNPFEDSA-N 2 1 340.471 2.029 20 30 EEEDMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033777022 1195261082 /nfs/dbraw/zinc/26/10/82/1195261082.db2.gz SFJWFFPAKZGDMQ-RBUKOAKNSA-N 2 1 340.471 2.075 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248831 1195982596 /nfs/dbraw/zinc/98/25/96/1195982596.db2.gz FYKZFLIYEPUYDB-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248831 1195982600 /nfs/dbraw/zinc/98/26/00/1195982600.db2.gz FYKZFLIYEPUYDB-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248831 1195982606 /nfs/dbraw/zinc/98/26/06/1195982606.db2.gz FYKZFLIYEPUYDB-PKOBYXMFSA-N 2 1 331.504 2.387 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034240420 1195990648 /nfs/dbraw/zinc/99/06/48/1195990648.db2.gz IEQXIVIHTFFDJV-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034240420 1195990649 /nfs/dbraw/zinc/99/06/49/1195990649.db2.gz IEQXIVIHTFFDJV-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034240420 1195990651 /nfs/dbraw/zinc/99/06/51/1195990651.db2.gz IEQXIVIHTFFDJV-PKOBYXMFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034361038 1196149260 /nfs/dbraw/zinc/14/92/60/1196149260.db2.gz CMNLQIDXUKNKHL-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034361038 1196149263 /nfs/dbraw/zinc/14/92/63/1196149263.db2.gz CMNLQIDXUKNKHL-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034361038 1196149265 /nfs/dbraw/zinc/14/92/65/1196149265.db2.gz CMNLQIDXUKNKHL-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034361038 1196149268 /nfs/dbraw/zinc/14/92/68/1196149268.db2.gz CMNLQIDXUKNKHL-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1C ZINC001410854003 1198505596 /nfs/dbraw/zinc/50/55/96/1198505596.db2.gz LAYMPZCBFGJBOI-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001132270857 1199510884 /nfs/dbraw/zinc/51/08/84/1199510884.db2.gz WIAXFIYUSCWYRV-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccc(C#N)s1 ZINC001132270857 1199510888 /nfs/dbraw/zinc/51/08/88/1199510888.db2.gz WIAXFIYUSCWYRV-LSDHHAIUSA-N 2 1 348.516 2.431 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335870 1199584498 /nfs/dbraw/zinc/58/44/98/1199584498.db2.gz VOTFRKHGNNOFPM-IRXDYDNUSA-N 2 1 330.476 2.389 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335870 1199584506 /nfs/dbraw/zinc/58/45/06/1199584506.db2.gz VOTFRKHGNNOFPM-IRXDYDNUSA-N 2 1 330.476 2.389 20 30 EEEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365680 1199617450 /nfs/dbraw/zinc/61/74/50/1199617450.db2.gz OAYOQJDSHASCMJ-SJLPKXTDSA-N 2 1 348.491 2.143 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365680 1199617453 /nfs/dbraw/zinc/61/74/53/1199617453.db2.gz OAYOQJDSHASCMJ-SJLPKXTDSA-N 2 1 348.491 2.143 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132933115 1200210124 /nfs/dbraw/zinc/21/01/24/1200210124.db2.gz OOHIWUAKDYASNE-JKSUJKDBSA-N 2 1 348.491 2.390 20 30 EEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001132986254 1200277755 /nfs/dbraw/zinc/27/77/55/1200277755.db2.gz DMVZOPITFYUVFK-IRXDYDNUSA-N 2 1 344.503 2.412 20 30 EEEDMP C#CCN1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000886210869 1202480730 /nfs/dbraw/zinc/48/07/30/1202480730.db2.gz DKJVNUCEOCMXKI-NRFANRHFSA-N 2 1 325.500 2.381 20 30 EEEDMP C[C@@H](C#N)OCC[NH+](C)[C@H]1CC[C@H]([N@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000886389633 1202499944 /nfs/dbraw/zinc/49/99/44/1202499944.db2.gz RLGUJXJLXXOZHL-XSLAGTTESA-N 2 1 336.480 2.019 20 30 EEEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000887132378 1204213028 /nfs/dbraw/zinc/21/30/28/1204213028.db2.gz DUPUGKFCGOWIAC-INIZCTEOSA-N 2 1 349.438 2.493 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001276118097 1205782213 /nfs/dbraw/zinc/78/22/13/1205782213.db2.gz NJLAQWFDERMIIF-UHFFFAOYSA-N 2 1 348.441 2.296 20 30 EEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001276118097 1205782214 /nfs/dbraw/zinc/78/22/14/1205782214.db2.gz NJLAQWFDERMIIF-UHFFFAOYSA-N 2 1 348.441 2.296 20 30 EEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111022640 1207521402 /nfs/dbraw/zinc/52/14/02/1207521402.db2.gz RYWUORSMRLKLFU-RWQQGDIJSA-N 2 1 342.487 2.442 20 30 EEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111022640 1207521406 /nfs/dbraw/zinc/52/14/06/1207521406.db2.gz RYWUORSMRLKLFU-RWQQGDIJSA-N 2 1 342.487 2.442 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574984 1209231376 /nfs/dbraw/zinc/23/13/76/1209231376.db2.gz NLYBNOCOKZPHMV-MOPGFXCFSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574984 1209231380 /nfs/dbraw/zinc/23/13/80/1209231380.db2.gz NLYBNOCOKZPHMV-MOPGFXCFSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948574984 1209231381 /nfs/dbraw/zinc/23/13/81/1209231381.db2.gz NLYBNOCOKZPHMV-MOPGFXCFSA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000948952966 1209471744 /nfs/dbraw/zinc/47/17/44/1209471744.db2.gz BDEBQDUDBLCRFI-FQEVSTJZSA-N 2 1 339.483 2.067 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CCO2 ZINC000949089154 1209531539 /nfs/dbraw/zinc/53/15/39/1209531539.db2.gz BEQHTXQMOOWUPU-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C1CCC1)CCO2 ZINC000949115153 1209541239 /nfs/dbraw/zinc/54/12/39/1209541239.db2.gz UFOKRWLRCPHELP-UHFFFAOYSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000949379023 1209657640 /nfs/dbraw/zinc/65/76/40/1209657640.db2.gz KFEXIZREFLMNTF-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC000949379023 1209657643 /nfs/dbraw/zinc/65/76/43/1209657643.db2.gz KFEXIZREFLMNTF-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC000949379023 1209657644 /nfs/dbraw/zinc/65/76/44/1209657644.db2.gz KFEXIZREFLMNTF-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561226 1215211951 /nfs/dbraw/zinc/21/19/51/1215211951.db2.gz LCCHYYHCNJBQLM-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000304781403 1216105409 /nfs/dbraw/zinc/10/54/09/1216105409.db2.gz GGHYYSZWICFZHY-UKRRQHHQSA-N 2 1 338.883 2.496 20 30 EEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000960298921 1216480453 /nfs/dbraw/zinc/48/04/53/1216480453.db2.gz GFNRZCWHUPMSRL-IAAVTCLWSA-N 2 1 327.472 2.275 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC(C)C2)CC1 ZINC000961027512 1217013498 /nfs/dbraw/zinc/01/34/98/1217013498.db2.gz NKFLDJDSFYLDBG-AFMYVXGZSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230561 1217099867 /nfs/dbraw/zinc/09/98/67/1217099867.db2.gz KWAIBJAAFXSWOD-QZTJIDSGSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230561 1217099870 /nfs/dbraw/zinc/09/98/70/1217099870.db2.gz KWAIBJAAFXSWOD-QZTJIDSGSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961373551 1217163053 /nfs/dbraw/zinc/16/30/53/1217163053.db2.gz HSNWQJVWYZQYMF-MOPGFXCFSA-N 2 1 333.520 2.156 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961384202 1217168223 /nfs/dbraw/zinc/16/82/23/1217168223.db2.gz OGYUPFBNQIKMLH-LJQANCHMSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000961384202 1217168224 /nfs/dbraw/zinc/16/82/24/1217168224.db2.gz OGYUPFBNQIKMLH-LJQANCHMSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961433190 1217187945 /nfs/dbraw/zinc/18/79/45/1217187945.db2.gz UKSRIRSYKMPXIU-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961433190 1217187947 /nfs/dbraw/zinc/18/79/47/1217187947.db2.gz UKSRIRSYKMPXIU-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961433190 1217187950 /nfs/dbraw/zinc/18/79/50/1217187950.db2.gz UKSRIRSYKMPXIU-ICSRJNTNSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000962970092 1217310332 /nfs/dbraw/zinc/31/03/32/1217310332.db2.gz GMOXQWNMHVUJDE-VQFNDLOPSA-N 2 1 331.460 2.358 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000961771098 1217321248 /nfs/dbraw/zinc/32/12/48/1217321248.db2.gz JNTKYAKGADCPQY-BWTSREIZSA-N 2 1 327.472 2.027 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364964 1217561061 /nfs/dbraw/zinc/56/10/61/1217561061.db2.gz DRMMHQFAPWFQKF-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000963801341 1218045550 /nfs/dbraw/zinc/04/55/50/1218045550.db2.gz RMNPZVOSOMBYHI-VCMYPUNYSA-N 2 1 331.504 2.454 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008991200 1223106122 /nfs/dbraw/zinc/10/61/22/1223106122.db2.gz BITMTOZCTZOUEU-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008991200 1223106126 /nfs/dbraw/zinc/10/61/26/1223106126.db2.gz BITMTOZCTZOUEU-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(CC)CC)C2)CC1 ZINC001009630507 1223310258 /nfs/dbraw/zinc/31/02/58/1223310258.db2.gz WYEMXVZGAIYAJL-IBGZPJMESA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017838946 1227782733 /nfs/dbraw/zinc/78/27/33/1227782733.db2.gz FWBSVKCBFCEEQD-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001017838946 1227782741 /nfs/dbraw/zinc/78/27/41/1227782741.db2.gz FWBSVKCBFCEEQD-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001017838946 1227782747 /nfs/dbraw/zinc/78/27/47/1227782747.db2.gz FWBSVKCBFCEEQD-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001017838946 1227782755 /nfs/dbraw/zinc/78/27/55/1227782755.db2.gz FWBSVKCBFCEEQD-ZCNNSNEGSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CC[N@H+](CCF)C2)CC1 ZINC001039251247 1230487783 /nfs/dbraw/zinc/48/77/83/1230487783.db2.gz QYBFMEYBQJGAKO-OALUTQOASA-N 2 1 349.494 2.004 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542717 1231283867 /nfs/dbraw/zinc/28/38/67/1231283867.db2.gz CUPQBRMGNNBEKB-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546318 1231286126 /nfs/dbraw/zinc/28/61/26/1231286126.db2.gz CFXMMUAXBJNOPY-TZIWHRDSSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546318 1231286128 /nfs/dbraw/zinc/28/61/28/1231286128.db2.gz CFXMMUAXBJNOPY-TZIWHRDSSA-N 2 1 339.483 2.237 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040722702 1231348588 /nfs/dbraw/zinc/34/85/88/1231348588.db2.gz DRMKTZZBLSBXHA-GOSISDBHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001041288488 1231496861 /nfs/dbraw/zinc/49/68/61/1231496861.db2.gz XGABIMVQOCZTRM-WIYYLYMNSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041288488 1231496863 /nfs/dbraw/zinc/49/68/63/1231496863.db2.gz XGABIMVQOCZTRM-WIYYLYMNSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041288488 1231496866 /nfs/dbraw/zinc/49/68/66/1231496866.db2.gz XGABIMVQOCZTRM-WIYYLYMNSA-N 2 1 343.515 2.199 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358357 1231518774 /nfs/dbraw/zinc/51/87/74/1231518774.db2.gz NEZNPNWVTHLVGY-QFBILLFUSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041358357 1231518776 /nfs/dbraw/zinc/51/87/76/1231518776.db2.gz NEZNPNWVTHLVGY-QFBILLFUSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041591143 1231613241 /nfs/dbraw/zinc/61/32/41/1231613241.db2.gz WHUQFIIFBYBJLD-PZJWPPBQSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591143 1231613243 /nfs/dbraw/zinc/61/32/43/1231613243.db2.gz WHUQFIIFBYBJLD-PZJWPPBQSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591143 1231613246 /nfs/dbraw/zinc/61/32/46/1231613246.db2.gz WHUQFIIFBYBJLD-PZJWPPBQSA-N 2 1 343.515 2.341 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CC4CCC4)C3)C2)CC1 ZINC001041844553 1231728405 /nfs/dbraw/zinc/72/84/05/1231728405.db2.gz KWJBJMZGLIECDB-NRFANRHFSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCCC)[C@@H]3C2)CC1 ZINC001042368219 1232050487 /nfs/dbraw/zinc/05/04/87/1232050487.db2.gz OVKZJCWIJQICNN-IEBWSBKVSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001045602435 1233850291 /nfs/dbraw/zinc/85/02/91/1233850291.db2.gz JSZOYUSKYJCWTO-UHFFFAOYSA-N 2 1 339.443 2.428 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045941296 1234198688 /nfs/dbraw/zinc/19/86/88/1234198688.db2.gz IPSLVIXIPAJONW-CTNGQTDRSA-N 2 1 343.515 2.056 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045972037 1234256241 /nfs/dbraw/zinc/25/62/41/1234256241.db2.gz VHHXHWVCTOTDAV-NRFANRHFSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC ZINC001048532680 1237893734 /nfs/dbraw/zinc/89/37/34/1237893734.db2.gz CYYYKUMTKUYUPZ-KNJMJIDISA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001048532680 1237893750 /nfs/dbraw/zinc/89/37/50/1237893750.db2.gz CYYYKUMTKUYUPZ-KNJMJIDISA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC ZINC001048532680 1237893760 /nfs/dbraw/zinc/89/37/60/1237893760.db2.gz CYYYKUMTKUYUPZ-KNJMJIDISA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC ZINC001048532680 1237893770 /nfs/dbraw/zinc/89/37/70/1237893770.db2.gz CYYYKUMTKUYUPZ-KNJMJIDISA-N 2 1 345.531 2.489 20 30 EEEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC001000158550 1240009411 /nfs/dbraw/zinc/00/94/11/1240009411.db2.gz UQLHXIXHZNJESW-ZWKOTPCHSA-N 2 1 331.504 2.101 20 30 EEEDMP N#CC1(CCCC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC1 ZINC000903742019 1241800540 /nfs/dbraw/zinc/80/05/40/1241800540.db2.gz ULQMEVBPDOFNRH-ZWKOTPCHSA-N 2 1 346.519 2.431 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001049672438 1241838116 /nfs/dbraw/zinc/83/81/16/1241838116.db2.gz SOXSQNZCYMOOIG-NZSAHSFTSA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001049672438 1241838127 /nfs/dbraw/zinc/83/81/27/1241838127.db2.gz SOXSQNZCYMOOIG-NZSAHSFTSA-N 2 1 342.487 2.395 20 30 EEEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001001353948 1242118551 /nfs/dbraw/zinc/11/85/51/1242118551.db2.gz NYRXGNUFLFEJFL-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001001353948 1242118553 /nfs/dbraw/zinc/11/85/53/1242118553.db2.gz NYRXGNUFLFEJFL-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001001353948 1242118560 /nfs/dbraw/zinc/11/85/60/1242118560.db2.gz NYRXGNUFLFEJFL-IBGZPJMESA-N 2 1 331.504 2.413 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001402221 1242201416 /nfs/dbraw/zinc/20/14/16/1242201416.db2.gz LBQHMCDLXZFUAJ-INIZCTEOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001402221 1242201427 /nfs/dbraw/zinc/20/14/27/1242201427.db2.gz LBQHMCDLXZFUAJ-INIZCTEOSA-N 2 1 327.900 2.440 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821031 1242307476 /nfs/dbraw/zinc/30/74/76/1242307476.db2.gz QXTNCTTWIBMIHZ-MOPGFXCFSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3C/C=C/Cl)CC1 ZINC001049920256 1242713957 /nfs/dbraw/zinc/71/39/57/1242713957.db2.gz RCUMWNOWEBPEQT-QLIIXQJQSA-N 2 1 349.906 2.149 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097857717 1244695165 /nfs/dbraw/zinc/69/51/65/1244695165.db2.gz BVZWIUVAJHIBRB-AHCXZYCDSA-N 2 1 328.460 2.052 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097857717 1244695181 /nfs/dbraw/zinc/69/51/81/1244695181.db2.gz BVZWIUVAJHIBRB-AHCXZYCDSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)cccc2C1 ZINC001051300562 1245501251 /nfs/dbraw/zinc/50/12/51/1245501251.db2.gz XFXNGTCKNUIGKA-DNVCBOLYSA-N 2 1 327.472 2.045 20 30 EEEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cccc2C1 ZINC001051300562 1245501257 /nfs/dbraw/zinc/50/12/57/1245501257.db2.gz XFXNGTCKNUIGKA-DNVCBOLYSA-N 2 1 327.472 2.045 20 30 EEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cccc2C1 ZINC001051300562 1245501261 /nfs/dbraw/zinc/50/12/61/1245501261.db2.gz XFXNGTCKNUIGKA-DNVCBOLYSA-N 2 1 327.472 2.045 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054215 1245783719 /nfs/dbraw/zinc/78/37/19/1245783719.db2.gz JEFSVSDYWCQCQR-RBUKOAKNSA-N 2 1 342.487 2.165 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001053054215 1245783726 /nfs/dbraw/zinc/78/37/26/1245783726.db2.gz JEFSVSDYWCQCQR-RBUKOAKNSA-N 2 1 342.487 2.165 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053089839 1245873889 /nfs/dbraw/zinc/87/38/89/1245873889.db2.gz DKNPUIASHFRRNH-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053089839 1245873899 /nfs/dbraw/zinc/87/38/99/1245873899.db2.gz DKNPUIASHFRRNH-ZWKOTPCHSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001101547873 1245952425 /nfs/dbraw/zinc/95/24/25/1245952425.db2.gz TXUDAYOFIZMWAH-KRWDZBQOSA-N 2 1 342.487 2.248 20 30 EEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101574863 1245979477 /nfs/dbraw/zinc/97/94/77/1245979477.db2.gz HGZFIUDHBNSPGO-AEFFLSMTSA-N 2 1 333.520 2.062 20 30 EEEDMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001054035291 1247187472 /nfs/dbraw/zinc/18/74/72/1247187472.db2.gz JCCNRGZQKNFZCB-MOPGFXCFSA-N 2 1 327.472 2.200 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001054035291 1247187480 /nfs/dbraw/zinc/18/74/80/1247187480.db2.gz JCCNRGZQKNFZCB-MOPGFXCFSA-N 2 1 327.472 2.200 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001054035291 1247187488 /nfs/dbraw/zinc/18/74/88/1247187488.db2.gz JCCNRGZQKNFZCB-MOPGFXCFSA-N 2 1 327.472 2.200 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159759 1247565573 /nfs/dbraw/zinc/56/55/73/1247565573.db2.gz YWKAUANLGASBCV-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159759 1247565581 /nfs/dbraw/zinc/56/55/81/1247565581.db2.gz YWKAUANLGASBCV-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159759 1247565586 /nfs/dbraw/zinc/56/55/86/1247565586.db2.gz YWKAUANLGASBCV-QUCCMNQESA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219102 1247749213 /nfs/dbraw/zinc/74/92/13/1247749213.db2.gz GXBHRDNNXJGIHT-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCOCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144895 1257985286 /nfs/dbraw/zinc/98/52/86/1257985286.db2.gz NGSAXVZUXSOGTN-QGZVFWFLSA-N 2 1 348.491 2.001 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144895 1257985292 /nfs/dbraw/zinc/98/52/92/1257985292.db2.gz NGSAXVZUXSOGTN-QGZVFWFLSA-N 2 1 348.491 2.001 20 30 EEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408119 1282474688 /nfs/dbraw/zinc/47/46/88/1282474688.db2.gz DPENIAOAFCIUQM-QUCCMNQESA-N 2 1 327.472 2.019 20 30 EEEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488237 1282530877 /nfs/dbraw/zinc/53/08/77/1282530877.db2.gz NLIIKWGZOMVHQV-QGZVFWFLSA-N 2 1 327.513 2.068 20 30 EEEDMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001193571935 1282570409 /nfs/dbraw/zinc/57/04/09/1282570409.db2.gz YKRNNDYKPCHPPO-HXUWFJFHSA-N 2 1 341.499 2.303 20 30 EEEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C12CCC2 ZINC001203175585 1284173299 /nfs/dbraw/zinc/17/32/99/1284173299.db2.gz CRFUEENEJOYDGG-ZWKOTPCHSA-N 2 1 342.487 2.355 20 30 EEEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198985544 1285473337 /nfs/dbraw/zinc/47/33/37/1285473337.db2.gz ZPZYPWAURCQHHP-SJLPKXTDSA-N 2 1 345.487 2.360 20 30 EEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462453 1297100068 /nfs/dbraw/zinc/10/00/68/1297100068.db2.gz SGNPBXAJAQMBPZ-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001216490711 1297191170 /nfs/dbraw/zinc/19/11/70/1297191170.db2.gz LAVPSPKQJKLTRJ-TZMCWYRMSA-N 2 1 346.313 2.063 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052227 1297919579 /nfs/dbraw/zinc/91/95/79/1297919579.db2.gz NESLKXUEGDUNDP-GBESFXJTSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001220868674 1298565486 /nfs/dbraw/zinc/56/54/86/1298565486.db2.gz OONMZENTMXIPGT-PZJWPPBQSA-N 2 1 341.499 2.366 20 30 EEEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001099555686 1299217625 /nfs/dbraw/zinc/21/76/25/1299217625.db2.gz BROCSMXZJQVDOR-MUGJNUQGSA-N 2 1 343.515 2.055 20 30 EEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001099570550 1299233220 /nfs/dbraw/zinc/23/32/20/1299233220.db2.gz RTJGRZNJLOXHFN-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099570550 1299233240 /nfs/dbraw/zinc/23/32/40/1299233240.db2.gz RTJGRZNJLOXHFN-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099570550 1299233248 /nfs/dbraw/zinc/23/32/48/1299233248.db2.gz RTJGRZNJLOXHFN-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCC(C)C)[C@H]2C1 ZINC001222913836 1299918471 /nfs/dbraw/zinc/91/84/71/1299918471.db2.gz XNXRNPVOLZZCFX-AABGKKOBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCC(C)C)[C@H]2C1 ZINC001222913836 1299918476 /nfs/dbraw/zinc/91/84/76/1299918476.db2.gz XNXRNPVOLZZCFX-AABGKKOBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCC(C)C)[C@H]2C1 ZINC001222913836 1299918479 /nfs/dbraw/zinc/91/84/79/1299918479.db2.gz XNXRNPVOLZZCFX-AABGKKOBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCC(C)C)[C@H]2C1 ZINC001222913836 1299918484 /nfs/dbraw/zinc/91/84/84/1299918484.db2.gz XNXRNPVOLZZCFX-AABGKKOBSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCC(C)C)[C@H]2C1 ZINC001222913836 1299918489 /nfs/dbraw/zinc/91/84/89/1299918489.db2.gz XNXRNPVOLZZCFX-AABGKKOBSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[NH+]1CCC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001223693697 1300229873 /nfs/dbraw/zinc/22/98/73/1300229873.db2.gz FNESLRUOGJNTQL-UHFFFAOYSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001224559983 1300647310 /nfs/dbraw/zinc/64/73/10/1300647310.db2.gz RMDZKMGASQUIJO-SFHVURJKSA-N 2 1 325.472 2.213 20 30 EEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001229185418 1302659987 /nfs/dbraw/zinc/65/99/87/1302659987.db2.gz LMUDQQBOUCIKQJ-INIZCTEOSA-N 2 1 330.476 2.301 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001229895083 1302979028 /nfs/dbraw/zinc/97/90/28/1302979028.db2.gz BWICEHKAXWTNOA-UHFFFAOYSA-N 2 1 345.462 2.100 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001229895083 1302979034 /nfs/dbraw/zinc/97/90/34/1302979034.db2.gz BWICEHKAXWTNOA-UHFFFAOYSA-N 2 1 345.462 2.100 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001111892545 1304061470 /nfs/dbraw/zinc/06/14/70/1304061470.db2.gz UUOAZDUQKSEAJL-LPHOPBHVSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001111892545 1304061475 /nfs/dbraw/zinc/06/14/75/1304061475.db2.gz UUOAZDUQKSEAJL-LPHOPBHVSA-N 2 1 328.460 2.001 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112190289 1304310688 /nfs/dbraw/zinc/31/06/88/1304310688.db2.gz UJJSXDNGWBEKKD-ZIAGYGMSSA-N 2 1 335.414 2.273 20 30 EEEDMP C#CC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000830343317 1314533900 /nfs/dbraw/zinc/53/39/00/1314533900.db2.gz SLAJYYFOPFLLDD-FXAWDEMLSA-N 2 1 339.483 2.111 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C12CCC2 ZINC001203105341 1315058994 /nfs/dbraw/zinc/05/89/94/1315058994.db2.gz WZBRDRDAQKJKNY-SJORKVTESA-N 2 1 346.475 2.333 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149715172 1316023026 /nfs/dbraw/zinc/02/30/26/1316023026.db2.gz OQVZYQPZIBGOMC-QGZVFWFLSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150300008 1316230610 /nfs/dbraw/zinc/23/06/10/1316230610.db2.gz XAEIHSZJVIJMCH-ZWKOTPCHSA-N 2 1 339.524 2.280 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CCOC)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001151308245 1316501549 /nfs/dbraw/zinc/50/15/49/1316501549.db2.gz LFBKFLKDJRAMDO-HNNXBMFYSA-N 2 1 345.915 2.066 20 30 EEEDMP C=CCC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001252595447 1317642391 /nfs/dbraw/zinc/64/23/91/1317642391.db2.gz HUVXTGYKZANTDC-SFHVURJKSA-N 2 1 332.492 2.178 20 30 EEEDMP C=CCC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001252595447 1317642396 /nfs/dbraw/zinc/64/23/96/1317642396.db2.gz HUVXTGYKZANTDC-SFHVURJKSA-N 2 1 332.492 2.178 20 30 EEEDMP C=CCC[C@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001252598770 1317644481 /nfs/dbraw/zinc/64/44/81/1317644481.db2.gz QUDHEOPYXWZHTG-SFHVURJKSA-N 2 1 332.492 2.054 20 30 EEEDMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662004 1318158249 /nfs/dbraw/zinc/15/82/49/1318158249.db2.gz ATOZJHVDKALEEQ-PJVZLEMVSA-N 2 1 342.491 2.144 20 30 EEEDMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662004 1318158255 /nfs/dbraw/zinc/15/82/55/1318158255.db2.gz ATOZJHVDKALEEQ-PJVZLEMVSA-N 2 1 342.491 2.144 20 30 EEEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662004 1318158260 /nfs/dbraw/zinc/15/82/60/1318158260.db2.gz ATOZJHVDKALEEQ-PJVZLEMVSA-N 2 1 342.491 2.144 20 30 EEEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254662004 1318158265 /nfs/dbraw/zinc/15/82/65/1318158265.db2.gz ATOZJHVDKALEEQ-PJVZLEMVSA-N 2 1 342.491 2.144 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160491470 1320174760 /nfs/dbraw/zinc/17/47/60/1320174760.db2.gz DFTSNBDLHMFPDH-UHFFFAOYSA-N 2 1 329.488 2.024 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383428 1320482530 /nfs/dbraw/zinc/48/25/30/1320482530.db2.gz XNUDKUIOMMJUBO-GOSISDBHSA-N 2 1 331.504 2.413 20 30 EEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)(COC)CC1 ZINC001162533781 1320888944 /nfs/dbraw/zinc/88/89/44/1320888944.db2.gz STYVTTHTXQWRLM-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485486 1321533452 /nfs/dbraw/zinc/53/34/52/1321533452.db2.gz XIUAEFJJAIRNOI-CQSZACIVSA-N 2 1 336.867 2.389 20 30 EEEDMP C=CCn1c([C@H]2CCCCN2C)nnc1N1CCN(C2CCC2)CC1 ZINC001262948566 1322402846 /nfs/dbraw/zinc/40/28/46/1322402846.db2.gz PSHXCYTWMNGADK-QGZVFWFLSA-N 2 1 344.507 2.295 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461054 1323146602 /nfs/dbraw/zinc/14/66/02/1323146602.db2.gz DZHNIVKMNZUVTE-LJQANCHMSA-N 2 1 331.504 2.245 20 30 EEEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206467841 1323503252 /nfs/dbraw/zinc/50/32/52/1323503252.db2.gz BCZHPCRCURIUAW-FXAWDEMLSA-N 2 1 336.439 2.078 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208048268 1324287050 /nfs/dbraw/zinc/28/70/50/1324287050.db2.gz FSFOZECIIVQNMM-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210144842 1325177378 /nfs/dbraw/zinc/17/73/78/1325177378.db2.gz ABIUDQLFVKAPOF-SFHVURJKSA-N 2 1 337.508 2.036 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001210788597 1325433375 /nfs/dbraw/zinc/43/33/75/1325433375.db2.gz GBOGRVQNJGUOQU-LJQANCHMSA-N 2 1 345.462 2.100 20 30 EEEDMP Cc1c(C#N)cccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001645764424 1352799737 /nfs/dbraw/zinc/79/97/37/1352799737.db2.gz LGEMZXHCPIVYRW-UHFFFAOYSA-N 2 1 335.411 2.266 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001072907583 1370783795 /nfs/dbraw/zinc/78/37/95/1370783795.db2.gz PHSGNOOEWHZUBV-MRXNPFEDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907583 1370783799 /nfs/dbraw/zinc/78/37/99/1370783799.db2.gz PHSGNOOEWHZUBV-MRXNPFEDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907583 1370783804 /nfs/dbraw/zinc/78/38/04/1370783804.db2.gz PHSGNOOEWHZUBV-MRXNPFEDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907583 1370783808 /nfs/dbraw/zinc/78/38/08/1370783808.db2.gz PHSGNOOEWHZUBV-MRXNPFEDSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902521 1371295189 /nfs/dbraw/zinc/29/51/89/1371295189.db2.gz FYVFXFHHPKKVRY-ICSRJNTNSA-N 2 1 349.519 2.036 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902521 1371295192 /nfs/dbraw/zinc/29/51/92/1371295192.db2.gz FYVFXFHHPKKVRY-ICSRJNTNSA-N 2 1 349.519 2.036 20 30 EEEDMP C=CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001161219762 1372922575 /nfs/dbraw/zinc/92/25/75/1372922575.db2.gz OOMCEMXPMVTYNG-UHFFFAOYSA-N 2 1 341.499 2.485 20 30 EEEDMP C=CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001161219762 1372922579 /nfs/dbraw/zinc/92/25/79/1372922579.db2.gz OOMCEMXPMVTYNG-UHFFFAOYSA-N 2 1 341.499 2.485 20 30 EEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001161219762 1372922582 /nfs/dbraw/zinc/92/25/82/1372922582.db2.gz OOMCEMXPMVTYNG-UHFFFAOYSA-N 2 1 341.499 2.485 20 30 EEEDMP CC(C)[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001380981887 1381480151 /nfs/dbraw/zinc/48/01/51/1381480151.db2.gz MMGCEGCQLIBVMG-IBGZPJMESA-N 2 1 344.503 2.425 20 30 EEEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752655629 1406329542 /nfs/dbraw/zinc/32/95/42/1406329542.db2.gz UZPOSFXRAMHYJJ-LNLFQRSKSA-N 2 1 349.519 2.223 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1CC[NH+](C)CC1 ZINC001393630807 1390502482 /nfs/dbraw/zinc/50/24/82/1390502482.db2.gz NZCSWAPCGDTQDA-UHFFFAOYSA-N 2 1 342.487 2.180 20 30 EEEDMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1ccc(C#N)s1 ZINC001394069070 1390601931 /nfs/dbraw/zinc/60/19/31/1390601931.db2.gz BFNCROFZFZGNJP-CYBMUJFWSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1ccc(C#N)s1 ZINC001394069070 1390601934 /nfs/dbraw/zinc/60/19/34/1390601934.db2.gz BFNCROFZFZGNJP-CYBMUJFWSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001394069070 1390601937 /nfs/dbraw/zinc/60/19/37/1390601937.db2.gz BFNCROFZFZGNJP-CYBMUJFWSA-N 2 1 334.489 2.041 20 30 EEEDMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001394069070 1390601940 /nfs/dbraw/zinc/60/19/40/1390601940.db2.gz BFNCROFZFZGNJP-CYBMUJFWSA-N 2 1 334.489 2.041 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001752940201 1406565325 /nfs/dbraw/zinc/56/53/25/1406565325.db2.gz IMJCGBWARXMSPD-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001752940201 1406565332 /nfs/dbraw/zinc/56/53/32/1406565332.db2.gz IMJCGBWARXMSPD-MOPGFXCFSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001752943649 1406569437 /nfs/dbraw/zinc/56/94/37/1406569437.db2.gz OHTOZIVHBJMKSC-HUUCEWRRSA-N 2 1 334.464 2.143 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001398838908 1394222554 /nfs/dbraw/zinc/22/25/54/1394222554.db2.gz LADSGJDXRFDFCM-UHFFFAOYSA-N 2 1 342.487 2.417 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001400202721 1396047247 /nfs/dbraw/zinc/04/72/47/1396047247.db2.gz LDVAKECPKRDFOW-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001400202721 1396047256 /nfs/dbraw/zinc/04/72/56/1396047256.db2.gz LDVAKECPKRDFOW-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001400202721 1396047266 /nfs/dbraw/zinc/04/72/66/1396047266.db2.gz LDVAKECPKRDFOW-LJQANCHMSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001402983745 1398304614 /nfs/dbraw/zinc/30/46/14/1398304614.db2.gz XNGQFOBEXIBEEV-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001402983745 1398304618 /nfs/dbraw/zinc/30/46/18/1398304618.db2.gz XNGQFOBEXIBEEV-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001402983745 1398304626 /nfs/dbraw/zinc/30/46/26/1398304626.db2.gz XNGQFOBEXIBEEV-HUUCEWRRSA-N 2 1 348.516 2.431 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCO1 ZINC001755010486 1407029067 /nfs/dbraw/zinc/02/90/67/1407029067.db2.gz FJAMHMNGIOJFDT-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)CO2 ZINC001755064683 1407073791 /nfs/dbraw/zinc/07/37/91/1407073791.db2.gz VRCHTIWXAUDBQD-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)CO2 ZINC001755064683 1407073793 /nfs/dbraw/zinc/07/37/93/1407073793.db2.gz VRCHTIWXAUDBQD-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001422586557 1400052373 /nfs/dbraw/zinc/05/23/73/1400052373.db2.gz BCMSKHHKDJOJBD-MAUKXSAKSA-N 2 1 330.476 2.081 20 30 EEEDMP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001755360159 1407357780 /nfs/dbraw/zinc/35/77/80/1407357780.db2.gz SEPMSAFAJZYQMS-VQIMIIECSA-N 2 1 339.499 2.487 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H](C)CCC=C)CC1 ZINC001755530778 1407596144 /nfs/dbraw/zinc/59/61/44/1407596144.db2.gz OGQJHYANBNFRFD-MJGOQNOKSA-N 2 1 331.504 2.362 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H](C)CCC=C)CC1 ZINC001755530778 1407596150 /nfs/dbraw/zinc/59/61/50/1407596150.db2.gz OGQJHYANBNFRFD-MJGOQNOKSA-N 2 1 331.504 2.362 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@H](C)CCC=C)CC1 ZINC001755530778 1407596156 /nfs/dbraw/zinc/59/61/56/1407596156.db2.gz OGQJHYANBNFRFD-MJGOQNOKSA-N 2 1 331.504 2.362 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@H](C)CCC=C)CC1 ZINC001755530778 1407596162 /nfs/dbraw/zinc/59/61/62/1407596162.db2.gz OGQJHYANBNFRFD-MJGOQNOKSA-N 2 1 331.504 2.362 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@H+]1C)C[C@@H](C)O2 ZINC001098611033 765526024 /nfs/dbraw/zinc/52/60/24/765526024.db2.gz VAIAYPLQDYHRBC-QZTJIDSGSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993816 782737085 /nfs/dbraw/zinc/73/70/85/782737085.db2.gz FDNKKKJIHICYDV-HBFSDRIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993816 782737099 /nfs/dbraw/zinc/73/70/99/782737099.db2.gz FDNKKKJIHICYDV-HBFSDRIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993816 782737103 /nfs/dbraw/zinc/73/71/03/782737103.db2.gz FDNKKKJIHICYDV-HBFSDRIKSA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529920 770345422 /nfs/dbraw/zinc/34/54/22/770345422.db2.gz VPRPAXALEYKOKL-RYRKJORJSA-N 2 1 339.911 2.442 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089646843 773684369 /nfs/dbraw/zinc/68/43/69/773684369.db2.gz QDQXRYIYZAWNCE-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089646843 773684374 /nfs/dbraw/zinc/68/43/74/773684374.db2.gz QDQXRYIYZAWNCE-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089646843 773684375 /nfs/dbraw/zinc/68/43/75/773684375.db2.gz QDQXRYIYZAWNCE-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980151547 773958971 /nfs/dbraw/zinc/95/89/71/773958971.db2.gz CYELDJFRWLLEDN-SZMVWBNQSA-N 2 1 343.471 2.195 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001027892502 774072225 /nfs/dbraw/zinc/07/22/25/774072225.db2.gz XINAJMIMZKHDSV-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001027892502 774072230 /nfs/dbraw/zinc/07/22/30/774072230.db2.gz XINAJMIMZKHDSV-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)CC[NH+]1C ZINC001027892502 774072233 /nfs/dbraw/zinc/07/22/33/774072233.db2.gz XINAJMIMZKHDSV-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)CC[NH+]1C ZINC001027892502 774072237 /nfs/dbraw/zinc/07/22/37/774072237.db2.gz XINAJMIMZKHDSV-CKEIUWERSA-N 2 1 346.500 2.041 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980220284 774134297 /nfs/dbraw/zinc/13/42/97/774134297.db2.gz ZBOPNKNEBYHGBL-YESZJQIVSA-N 2 1 340.471 2.001 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC000980248983 774179007 /nfs/dbraw/zinc/17/90/07/774179007.db2.gz XGYHEMFSFHSPKZ-ZCNNSNEGSA-N 2 1 339.483 2.212 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001167815047 774992312 /nfs/dbraw/zinc/99/23/12/774992312.db2.gz MUFBUXHIVHXPPE-UHFFFAOYSA-N 2 1 342.487 2.276 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001167815712 775010819 /nfs/dbraw/zinc/01/08/19/775010819.db2.gz YVBDCHLHPWBNHO-UHFFFAOYSA-N 2 1 348.516 2.338 20 30 EEEDMP C#CCCC[C@H]([NH3+])c1nc(-c2cccc(N3CC[NH+](C)CC3)c2)no1 ZINC001212324877 775763276 /nfs/dbraw/zinc/76/32/76/775763276.db2.gz AKTVOZPBFPPPCY-KRWDZBQOSA-N 2 1 339.443 2.292 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001032523170 790553146 /nfs/dbraw/zinc/55/31/46/790553146.db2.gz OXUPKORCFWGKIR-HOTGVXAUSA-N 2 1 328.460 2.013 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001032523170 790553153 /nfs/dbraw/zinc/55/31/53/790553153.db2.gz OXUPKORCFWGKIR-HOTGVXAUSA-N 2 1 328.460 2.013 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC000981819260 778262956 /nfs/dbraw/zinc/26/29/56/778262956.db2.gz UXYWDGPKCCLMEF-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC000981819260 778262959 /nfs/dbraw/zinc/26/29/59/778262959.db2.gz UXYWDGPKCCLMEF-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC000981819260 778262963 /nfs/dbraw/zinc/26/29/63/778262963.db2.gz UXYWDGPKCCLMEF-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC000981819260 778262968 /nfs/dbraw/zinc/26/29/68/778262968.db2.gz UXYWDGPKCCLMEF-SFHVURJKSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163416 779182766 /nfs/dbraw/zinc/18/27/66/779182766.db2.gz ARNLMLIGCARKSJ-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982276497 779485831 /nfs/dbraw/zinc/48/58/31/779485831.db2.gz WGHQGMQZTDZMEN-YSIASYRMSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982276497 779485838 /nfs/dbraw/zinc/48/58/38/779485838.db2.gz WGHQGMQZTDZMEN-YSIASYRMSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292284 779575174 /nfs/dbraw/zinc/57/51/74/779575174.db2.gz FDNJXEOIXOVCFZ-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292284 779575180 /nfs/dbraw/zinc/57/51/80/779575180.db2.gz FDNJXEOIXOVCFZ-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292284 779575184 /nfs/dbraw/zinc/57/51/84/779575184.db2.gz FDNJXEOIXOVCFZ-YSIASYRMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4nccn4C3)C[C@@]2(C)C1 ZINC000982311864 779684960 /nfs/dbraw/zinc/68/49/60/779684960.db2.gz LYDSIFGMSIJBQC-FFZOFVMBSA-N 2 1 342.487 2.192 20 30 EEEDMP C=CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001089860924 780865113 /nfs/dbraw/zinc/86/51/13/780865113.db2.gz CNHLMQSXLACLII-FJIDUMEYSA-N 2 1 331.504 2.073 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089860924 780865123 /nfs/dbraw/zinc/86/51/23/780865123.db2.gz CNHLMQSXLACLII-FJIDUMEYSA-N 2 1 331.504 2.073 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089860924 780865133 /nfs/dbraw/zinc/86/51/33/780865133.db2.gz CNHLMQSXLACLII-FJIDUMEYSA-N 2 1 331.504 2.073 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396101 781909878 /nfs/dbraw/zinc/90/98/78/781909878.db2.gz IEGIECOCCJWGRX-LJQANCHMSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396101 781909888 /nfs/dbraw/zinc/90/98/88/781909888.db2.gz IEGIECOCCJWGRX-LJQANCHMSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396101 781909896 /nfs/dbraw/zinc/90/98/96/781909896.db2.gz IEGIECOCCJWGRX-LJQANCHMSA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001035544850 784653613 /nfs/dbraw/zinc/65/36/13/784653613.db2.gz DWMYSTGMFYXFSU-IBGZPJMESA-N 2 1 345.487 2.145 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135975661 784923460 /nfs/dbraw/zinc/92/34/60/784923460.db2.gz ADZPAARTEOJPJY-JKSUJKDBSA-N 2 1 330.476 2.273 20 30 EEEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035858522 785300601 /nfs/dbraw/zinc/30/06/01/785300601.db2.gz UNYNAWGIMPKYST-LJQANCHMSA-N 2 1 339.483 2.237 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107578917 787731971 /nfs/dbraw/zinc/73/19/71/787731971.db2.gz IVIZJKOCCYULIL-UYAOXDASSA-N 2 1 349.519 2.036 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107578917 787731977 /nfs/dbraw/zinc/73/19/77/787731977.db2.gz IVIZJKOCCYULIL-UYAOXDASSA-N 2 1 349.519 2.036 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107646612 787996706 /nfs/dbraw/zinc/99/67/06/787996706.db2.gz MTXRJNCYFQIKHP-SVFBPWRDSA-N 2 1 345.531 2.491 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941977 789561581 /nfs/dbraw/zinc/56/15/81/789561581.db2.gz PEEHEGKWVNAWBC-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941977 789561587 /nfs/dbraw/zinc/56/15/87/789561587.db2.gz PEEHEGKWVNAWBC-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941977 789561593 /nfs/dbraw/zinc/56/15/93/789561593.db2.gz PEEHEGKWVNAWBC-PKOBYXMFSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904603 789621988 /nfs/dbraw/zinc/62/19/88/789621988.db2.gz LYRTVJVGVIGWKU-ZCNNSNEGSA-N 2 1 345.531 2.301 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001146591045 791360569 /nfs/dbraw/zinc/36/05/69/791360569.db2.gz FQKAOYJTYFFHLF-HUUCEWRRSA-N 2 1 348.466 2.410 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001146591043 791360652 /nfs/dbraw/zinc/36/06/52/791360652.db2.gz FQKAOYJTYFFHLF-GJZGRUSLSA-N 2 1 348.466 2.410 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998164771 792116935 /nfs/dbraw/zinc/11/69/35/792116935.db2.gz JKATUSPDYWTLBG-LJQANCHMSA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713343 792364141 /nfs/dbraw/zinc/36/41/41/792364141.db2.gz UMDYIBZNZYVKEW-APWZRJJASA-N 2 1 345.512 2.227 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091879062 793380897 /nfs/dbraw/zinc/38/08/97/793380897.db2.gz DWIZFYGECLGHLU-GGPKGHCWSA-N 2 1 331.504 2.217 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948055453 793428477 /nfs/dbraw/zinc/42/84/77/793428477.db2.gz CGMRRKHYUNBGRU-VQIMIIECSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000999391928 794404523 /nfs/dbraw/zinc/40/45/23/794404523.db2.gz OBMZKKVNHWFZKJ-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000999391928 794404527 /nfs/dbraw/zinc/40/45/27/794404527.db2.gz OBMZKKVNHWFZKJ-MOPGFXCFSA-N 2 1 329.488 2.165 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036747005 794754936 /nfs/dbraw/zinc/75/49/36/794754936.db2.gz CAIILTZTVHEGCS-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001093374064 795107942 /nfs/dbraw/zinc/10/79/42/795107942.db2.gz YJWQGYXSVVJYQD-RBUKOAKNSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001093374064 795107945 /nfs/dbraw/zinc/10/79/45/795107945.db2.gz YJWQGYXSVVJYQD-RBUKOAKNSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001093374064 795107947 /nfs/dbraw/zinc/10/79/47/795107947.db2.gz YJWQGYXSVVJYQD-RBUKOAKNSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001093378137 795114133 /nfs/dbraw/zinc/11/41/33/795114133.db2.gz JXFGBAYUBVTSDY-PXNSSMCTSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001093378137 795114137 /nfs/dbraw/zinc/11/41/37/795114137.db2.gz JXFGBAYUBVTSDY-PXNSSMCTSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001093378137 795114142 /nfs/dbraw/zinc/11/41/42/795114142.db2.gz JXFGBAYUBVTSDY-PXNSSMCTSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CCO2 ZINC001093408089 795146618 /nfs/dbraw/zinc/14/66/18/795146618.db2.gz UDAIMOGVMVLOCZ-PGYGNJIDSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094529006 796362060 /nfs/dbraw/zinc/36/20/60/796362060.db2.gz FVHKIGTYJFVISX-NLWGTHIKSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529006 796362061 /nfs/dbraw/zinc/36/20/61/796362061.db2.gz FVHKIGTYJFVISX-NLWGTHIKSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529006 796362066 /nfs/dbraw/zinc/36/20/66/796362066.db2.gz FVHKIGTYJFVISX-NLWGTHIKSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC2(CCOCC2)C1 ZINC001089969654 796692392 /nfs/dbraw/zinc/69/23/92/796692392.db2.gz MBMMGFLKHGJULA-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC2(CCOCC2)C1 ZINC001089969654 796692396 /nfs/dbraw/zinc/69/23/96/796692396.db2.gz MBMMGFLKHGJULA-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC2(CCOCC2)C1 ZINC001089969654 796692398 /nfs/dbraw/zinc/69/23/98/796692398.db2.gz MBMMGFLKHGJULA-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171873936 796761586 /nfs/dbraw/zinc/76/15/86/796761586.db2.gz VUCXGXCQFRBOKI-BOHSKOPMSA-N 2 1 349.519 2.080 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C12CCC2 ZINC001078683980 796813948 /nfs/dbraw/zinc/81/39/48/796813948.db2.gz ZSOZCUIUGWENCB-QZTJIDSGSA-N 2 1 342.487 2.355 20 30 EEEDMP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C12CCC2 ZINC001078760762 796984929 /nfs/dbraw/zinc/98/49/29/796984929.db2.gz AAFYDQPHXONECM-SJORKVTESA-N 2 1 337.427 2.084 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083105288 797873413 /nfs/dbraw/zinc/87/34/13/797873413.db2.gz SMTJPOJHOHTPAA-GBESFXJTSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083105288 797873422 /nfs/dbraw/zinc/87/34/22/797873422.db2.gz SMTJPOJHOHTPAA-GBESFXJTSA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083105288 797873428 /nfs/dbraw/zinc/87/34/28/797873428.db2.gz SMTJPOJHOHTPAA-GBESFXJTSA-N 2 1 349.519 2.127 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545875 798314654 /nfs/dbraw/zinc/31/46/54/798314654.db2.gz WVQGMKPDGJBYKH-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545875 798314659 /nfs/dbraw/zinc/31/46/59/798314659.db2.gz WVQGMKPDGJBYKH-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545875 798314663 /nfs/dbraw/zinc/31/46/63/798314663.db2.gz WVQGMKPDGJBYKH-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405796 798415093 /nfs/dbraw/zinc/41/50/93/798415093.db2.gz DXINUZSRNYKHMC-HOTGVXAUSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405796 798415097 /nfs/dbraw/zinc/41/50/97/798415097.db2.gz DXINUZSRNYKHMC-HOTGVXAUSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941037 798566269 /nfs/dbraw/zinc/56/62/69/798566269.db2.gz LMZIZXMBWXPKQM-GGPKGHCWSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941037 798566271 /nfs/dbraw/zinc/56/62/71/798566271.db2.gz LMZIZXMBWXPKQM-GGPKGHCWSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941037 798566273 /nfs/dbraw/zinc/56/62/73/798566273.db2.gz LMZIZXMBWXPKQM-GGPKGHCWSA-N 2 1 343.515 2.197 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001176844258 798587994 /nfs/dbraw/zinc/58/79/94/798587994.db2.gz HNGMDKOCOHMMCT-GASCZTMLSA-N 2 1 346.450 2.166 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014700 798611054 /nfs/dbraw/zinc/61/10/54/798611054.db2.gz XOMLKHXRRUXJBQ-HOJAQTOUSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014700 798611055 /nfs/dbraw/zinc/61/10/55/798611055.db2.gz XOMLKHXRRUXJBQ-HOJAQTOUSA-N 2 1 343.515 2.340 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001177061440 798721888 /nfs/dbraw/zinc/72/18/88/798721888.db2.gz LTDKIPCKTMCROE-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001177061440 798721892 /nfs/dbraw/zinc/72/18/92/798721892.db2.gz LTDKIPCKTMCROE-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001177157006 798780366 /nfs/dbraw/zinc/78/03/66/798780366.db2.gz PNVVAUSBEDGDJC-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001177157006 798780369 /nfs/dbraw/zinc/78/03/69/798780369.db2.gz PNVVAUSBEDGDJC-MOPGFXCFSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001178908539 799695913 /nfs/dbraw/zinc/69/59/13/799695913.db2.gz XKSHBHSONZLDOT-UHFFFAOYSA-N 2 1 342.871 2.369 20 30 EEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001179071190 799768923 /nfs/dbraw/zinc/76/89/23/799768923.db2.gz BSZKTIVNZMIIJS-FDYSRKEFSA-N 2 1 349.519 2.082 20 30 EEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001179395008 799889579 /nfs/dbraw/zinc/88/95/79/799889579.db2.gz CGKGHSLKTOBSPJ-QGZVFWFLSA-N 2 1 330.476 2.043 20 30 EEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001003622676 799902248 /nfs/dbraw/zinc/90/22/48/799902248.db2.gz YUMRFWYZHRMQKN-MRXNPFEDSA-N 2 1 330.476 2.301 20 30 EEEDMP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003624857 799905385 /nfs/dbraw/zinc/90/53/85/799905385.db2.gz VKHPQMKCRNSMGY-GOSISDBHSA-N 2 1 339.483 2.103 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003624857 799905388 /nfs/dbraw/zinc/90/53/88/799905388.db2.gz VKHPQMKCRNSMGY-GOSISDBHSA-N 2 1 339.483 2.103 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181728652 800882362 /nfs/dbraw/zinc/88/23/62/800882362.db2.gz PWVWJSKHMMZLCX-QWFCFKBJSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001181962554 800961578 /nfs/dbraw/zinc/96/15/78/800961578.db2.gz RPJIUMJUUHMHFG-DNVCBOLYSA-N 2 1 348.491 2.390 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182806674 801356478 /nfs/dbraw/zinc/35/64/78/801356478.db2.gz KARXPLFGIFXFGO-YLJYHZDGSA-N 2 1 344.503 2.494 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832372 801379125 /nfs/dbraw/zinc/37/91/25/801379125.db2.gz DAHRLEWFMZBIAL-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085832372 801379129 /nfs/dbraw/zinc/37/91/29/801379129.db2.gz DAHRLEWFMZBIAL-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832372 801379137 /nfs/dbraw/zinc/37/91/37/801379137.db2.gz DAHRLEWFMZBIAL-AQNXPRMDSA-N 2 1 341.499 2.441 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004440262 802049340 /nfs/dbraw/zinc/04/93/40/802049340.db2.gz YODJXGDTWHZKDI-VQTJNVASSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230638 802169612 /nfs/dbraw/zinc/16/96/12/802169612.db2.gz OTSAJAKLVMUWPC-ZWKOTPCHSA-N 2 1 331.504 2.291 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086106284 802191409 /nfs/dbraw/zinc/19/14/09/802191409.db2.gz BDDKMSBPXZGNMX-OAGGEKHMSA-N 2 1 327.900 2.201 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC=C)CC2)CC1 ZINC001004618927 802496658 /nfs/dbraw/zinc/49/66/58/802496658.db2.gz IDQPOANDRAZSDE-FQEVSTJZSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697518 802837121 /nfs/dbraw/zinc/83/71/21/802837121.db2.gz VDIKHCPJCDLTGF-ZCNNSNEGSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001086456133 803004548 /nfs/dbraw/zinc/00/45/48/803004548.db2.gz SBLGSIAPNXDUFZ-BZUAXINKSA-N 2 1 327.900 2.345 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001108279990 803066228 /nfs/dbraw/zinc/06/62/28/803066228.db2.gz LMYBEZWFOPMESU-LJQANCHMSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001108279990 803066233 /nfs/dbraw/zinc/06/62/33/803066233.db2.gz LMYBEZWFOPMESU-LJQANCHMSA-N 2 1 348.491 2.145 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001086500338 803132205 /nfs/dbraw/zinc/13/22/05/803132205.db2.gz XKQFSLWSTLCDDT-KLHDSHLOSA-N 2 1 325.884 2.240 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001086500339 803132394 /nfs/dbraw/zinc/13/23/94/803132394.db2.gz XKQFSLWSTLCDDT-VGWMRTNUSA-N 2 1 325.884 2.240 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349474 803336567 /nfs/dbraw/zinc/33/65/67/803336567.db2.gz HDYAZSFSNXRNPK-PKOBYXMFSA-N 2 1 339.524 2.280 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001129416686 810830101 /nfs/dbraw/zinc/83/01/01/810830101.db2.gz ILGADUJRUMQMFR-SFHVURJKSA-N 2 1 328.460 2.027 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001130453249 811691188 /nfs/dbraw/zinc/69/11/88/811691188.db2.gz VSPNLQOUAYKAPZ-INIZCTEOSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130453249 811691189 /nfs/dbraw/zinc/69/11/89/811691189.db2.gz VSPNLQOUAYKAPZ-INIZCTEOSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130453249 811691190 /nfs/dbraw/zinc/69/11/90/811691190.db2.gz VSPNLQOUAYKAPZ-INIZCTEOSA-N 2 1 347.507 2.122 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001495742616 1101513300 /nfs/dbraw/zinc/51/33/00/1101513300.db2.gz IPQDCMVMSGCRRO-LBPRGKRZSA-N 2 1 348.329 2.215 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C#N)s1 ZINC001505453160 1113987809 /nfs/dbraw/zinc/98/78/09/1113987809.db2.gz VPWKQXBDXLCDFD-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)s1 ZINC001505453160 1113987811 /nfs/dbraw/zinc/98/78/11/1113987811.db2.gz VPWKQXBDXLCDFD-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001505453160 1113987814 /nfs/dbraw/zinc/98/78/14/1113987814.db2.gz VPWKQXBDXLCDFD-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001507416710 1115258655 /nfs/dbraw/zinc/25/86/55/1115258655.db2.gz QBVQOOXLYMUAOT-OALUTQOASA-N 2 1 342.487 2.275 20 30 EEEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001520497120 1119169963 /nfs/dbraw/zinc/16/99/63/1119169963.db2.gz NSRGBSWHCXAVPC-SJORKVTESA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001520497120 1119169965 /nfs/dbraw/zinc/16/99/65/1119169965.db2.gz NSRGBSWHCXAVPC-SJORKVTESA-N 2 1 346.523 2.399 20 30 EEEDMP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001521504505 1119256434 /nfs/dbraw/zinc/25/64/34/1119256434.db2.gz WFFUYUIQRHUHTF-GOSISDBHSA-N 2 1 330.476 2.056 20 30 EEEDMP COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000104166532 285339481 /nfs/dbraw/zinc/33/94/81/285339481.db2.gz GNSUKKIHJHQCBV-DOTOQJQBSA-N 2 1 348.491 2.161 20 30 EEEDMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181728139 323353798 /nfs/dbraw/zinc/35/37/98/323353798.db2.gz ZXNLTOIAEPPXRG-IBGZPJMESA-N 2 1 326.488 2.454 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000329154548 465250636 /nfs/dbraw/zinc/25/06/36/465250636.db2.gz UTNJNIHSPDETJI-WBVHZDCISA-N 2 1 345.491 2.284 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000297745359 465268298 /nfs/dbraw/zinc/26/82/98/465268298.db2.gz JYMSJDQCHUAFBN-MRXNPFEDSA-N 2 1 348.516 2.139 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000491327843 468351271 /nfs/dbraw/zinc/35/12/71/468351271.db2.gz YGWWIMSYPMMYLY-IEBWSBKVSA-N 2 1 342.487 2.076 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000491327843 468351275 /nfs/dbraw/zinc/35/12/75/468351275.db2.gz YGWWIMSYPMMYLY-IEBWSBKVSA-N 2 1 342.487 2.076 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000491327843 468351283 /nfs/dbraw/zinc/35/12/83/468351283.db2.gz YGWWIMSYPMMYLY-IEBWSBKVSA-N 2 1 342.487 2.076 20 30 EEEDMP CC(C)[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000106455612 463516980 /nfs/dbraw/zinc/51/69/80/463516980.db2.gz GKPMDAHGXWMRKD-LJQANCHMSA-N 2 1 342.487 2.179 20 30 EEEDMP CC(C)[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000106455612 463516988 /nfs/dbraw/zinc/51/69/88/463516988.db2.gz GKPMDAHGXWMRKD-LJQANCHMSA-N 2 1 342.487 2.179 20 30 EEEDMP C=CC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000261785437 463858958 /nfs/dbraw/zinc/85/89/58/463858958.db2.gz PSLJYQMHQXPGMT-HNNXBMFYSA-N 2 1 326.448 2.211 20 30 EEEDMP CC[N@H+]1CC[C@H](CNC(=[NH+]C)N(C)Cc2cc(Cl)cn2C)C1 ZINC000261967825 463913595 /nfs/dbraw/zinc/91/35/95/463913595.db2.gz LWBYGDVZHWRYDM-CYBMUJFWSA-N 2 1 325.888 2.028 20 30 EEEDMP CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261978856 463915719 /nfs/dbraw/zinc/91/57/19/463915719.db2.gz OINGBXZBMLNLJA-DZGCQCFKSA-N 2 1 348.520 2.180 20 30 EEEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000579704448 468399097 /nfs/dbraw/zinc/39/90/97/468399097.db2.gz ACDBFRKHWJRJGX-APWZRJJASA-N 2 1 330.472 2.395 20 30 EEEDMP CN(C)C(=[NH+]CCCCN1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000264101800 464283838 /nfs/dbraw/zinc/28/38/38/464283838.db2.gz OHWJQGRYESEXHV-UHFFFAOYSA-N 2 1 345.535 2.064 20 30 EEEDMP COc1ccc(CNC(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1OC ZINC000268073153 464950062 /nfs/dbraw/zinc/95/00/62/464950062.db2.gz LIYANDFTMNTNOO-INIZCTEOSA-N 2 1 348.491 2.086 20 30 EEEDMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329975390 465492859 /nfs/dbraw/zinc/49/28/59/465492859.db2.gz ZSDVNKYBZRNUOH-CVEARBPZSA-N 2 1 347.507 2.460 20 30 EEEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329975390 465492865 /nfs/dbraw/zinc/49/28/65/465492865.db2.gz ZSDVNKYBZRNUOH-CVEARBPZSA-N 2 1 347.507 2.460 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000330295927 465603831 /nfs/dbraw/zinc/60/38/31/465603831.db2.gz JRPZALZWPKEIRM-UHFFFAOYSA-N 2 1 342.447 2.154 20 30 EEEDMP C#CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371469783 465815325 /nfs/dbraw/zinc/81/53/25/465815325.db2.gz GPXHCPAHAFFFAD-YSIASYRMSA-N 2 1 328.456 2.382 20 30 EEEDMP C#CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371469783 465815328 /nfs/dbraw/zinc/81/53/28/465815328.db2.gz GPXHCPAHAFFFAD-YSIASYRMSA-N 2 1 328.456 2.382 20 30 EEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000350229094 466431614 /nfs/dbraw/zinc/43/16/14/466431614.db2.gz XMJRCTWXZFIJOT-SFHVURJKSA-N 2 1 331.460 2.370 20 30 EEEDMP CN(c1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372605160 466502721 /nfs/dbraw/zinc/50/27/21/466502721.db2.gz FLVQCQVVCUNHBK-QGZVFWFLSA-N 2 1 343.431 2.071 20 30 EEEDMP C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364209612 466689585 /nfs/dbraw/zinc/68/95/85/466689585.db2.gz VXHGRNZCORRCLJ-INIZCTEOSA-N 2 1 343.471 2.150 20 30 EEEDMP C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364209612 466689589 /nfs/dbraw/zinc/68/95/89/466689589.db2.gz VXHGRNZCORRCLJ-INIZCTEOSA-N 2 1 343.471 2.150 20 30 EEEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000591740997 468513557 /nfs/dbraw/zinc/51/35/57/468513557.db2.gz SOGYERHBWOTGOA-GOSISDBHSA-N 2 1 326.444 2.176 20 30 EEEDMP C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000595409068 468841706 /nfs/dbraw/zinc/84/17/06/468841706.db2.gz KCEGSDHEPBFABZ-XLIONFOSSA-N 2 1 326.488 2.059 20 30 EEEDMP C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000595409068 468841711 /nfs/dbraw/zinc/84/17/11/468841711.db2.gz KCEGSDHEPBFABZ-XLIONFOSSA-N 2 1 326.488 2.059 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000609133424 469894865 /nfs/dbraw/zinc/89/48/65/469894865.db2.gz BOUKSSRDQOKENI-IBGZPJMESA-N 2 1 345.487 2.350 20 30 EEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634712793 470284481 /nfs/dbraw/zinc/28/44/81/470284481.db2.gz LWUURNOHVCUTIH-UFYCRDLUSA-N 2 1 330.472 2.194 20 30 EEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712793 470284483 /nfs/dbraw/zinc/28/44/83/470284483.db2.gz LWUURNOHVCUTIH-UFYCRDLUSA-N 2 1 330.472 2.194 20 30 EEEDMP C#CCCOc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000113336113 526743530 /nfs/dbraw/zinc/74/35/30/526743530.db2.gz DGUDVJJZLRMAQL-UHFFFAOYSA-N 2 1 343.515 2.452 20 30 EEEDMP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000104164714 528192516 /nfs/dbraw/zinc/19/25/16/528192516.db2.gz BDJIYYZOCDCWTL-LJQANCHMSA-N 3 1 345.535 2.417 20 30 EEEDMP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000104158032 528197919 /nfs/dbraw/zinc/19/79/19/528197919.db2.gz NRWOFPXKDCIEPQ-LJQANCHMSA-N 3 1 345.535 2.417 20 30 EEEDMP CCN(CC)c1ccc(/C=[NH+]/[C@H](C)CN2CC[NH+](C)CC2)c(O)c1 ZINC000106586441 528292698 /nfs/dbraw/zinc/29/26/98/528292698.db2.gz ZEUKOEIZVJALFR-ZGPWBKFBSA-N 2 1 332.492 2.293 20 30 EEEDMP C#CCN(C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCCCC1 ZINC000734281454 577286922 /nfs/dbraw/zinc/28/69/22/577286922.db2.gz KQYXHBZODYLIET-QGZVFWFLSA-N 2 1 346.519 2.132 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971845673 676881793 /nfs/dbraw/zinc/88/17/93/676881793.db2.gz YQJKDZWANNAMNV-HOTGVXAUSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000971845673 676881794 /nfs/dbraw/zinc/88/17/94/676881794.db2.gz YQJKDZWANNAMNV-HOTGVXAUSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845673 676881795 /nfs/dbraw/zinc/88/17/95/676881795.db2.gz YQJKDZWANNAMNV-HOTGVXAUSA-N 2 1 327.900 2.392 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845673 676881797 /nfs/dbraw/zinc/88/17/97/676881797.db2.gz YQJKDZWANNAMNV-HOTGVXAUSA-N 2 1 327.900 2.392 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCCC)CC1 ZINC000969156364 674648051 /nfs/dbraw/zinc/64/80/51/674648051.db2.gz RBYPKRJYIBYIFO-IBGZPJMESA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC(C)C)CC1 ZINC000969156625 674648707 /nfs/dbraw/zinc/64/87/07/674648707.db2.gz YKDDWVILLYGAHP-LJQANCHMSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2csc(C)c2)C1 ZINC000969864589 675265830 /nfs/dbraw/zinc/26/58/30/675265830.db2.gz DQKRXBHZXWSGRX-YJBOKZPZSA-N 2 1 345.512 2.091 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2csc(C)c2)C1 ZINC000969864589 675265831 /nfs/dbraw/zinc/26/58/31/675265831.db2.gz DQKRXBHZXWSGRX-YJBOKZPZSA-N 2 1 345.512 2.091 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000969865124 675266234 /nfs/dbraw/zinc/26/62/34/675266234.db2.gz KCKCVLBJOSBDEK-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000969865124 675266237 /nfs/dbraw/zinc/26/62/37/675266237.db2.gz KCKCVLBJOSBDEK-APWZRJJASA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681058 676336147 /nfs/dbraw/zinc/33/61/47/676336147.db2.gz DOAAPKNHVIKZBS-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021681058 676336148 /nfs/dbraw/zinc/33/61/48/676336148.db2.gz DOAAPKNHVIKZBS-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001023130956 679137533 /nfs/dbraw/zinc/13/75/33/679137533.db2.gz PAWZPJRFMDOMMW-OTWHNJEPSA-N 2 1 340.471 2.169 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc3c2CCCC3)C[C@H]1C ZINC000947556692 679312146 /nfs/dbraw/zinc/31/21/46/679312146.db2.gz SFCZCAHXEMUSIL-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947556692 679312147 /nfs/dbraw/zinc/31/21/47/679312147.db2.gz SFCZCAHXEMUSIL-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947556692 679312149 /nfs/dbraw/zinc/31/21/49/679312149.db2.gz SFCZCAHXEMUSIL-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947569200 679394869 /nfs/dbraw/zinc/39/48/69/679394869.db2.gz TVQNZIHIJHNCNW-MJGOQNOKSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587039 679399102 /nfs/dbraw/zinc/39/91/02/679399102.db2.gz DWVHKWWPIDOJOD-DLBZAZTESA-N 2 1 330.476 2.158 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023587039 679399105 /nfs/dbraw/zinc/39/91/05/679399105.db2.gz DWVHKWWPIDOJOD-DLBZAZTESA-N 2 1 330.476 2.158 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001028600826 681347182 /nfs/dbraw/zinc/34/71/82/681347182.db2.gz DYSUHQDAVDGBTE-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001028600826 681347185 /nfs/dbraw/zinc/34/71/85/681347185.db2.gz DYSUHQDAVDGBTE-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001028600826 681347191 /nfs/dbraw/zinc/34/71/91/681347191.db2.gz DYSUHQDAVDGBTE-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001028600826 681347197 /nfs/dbraw/zinc/34/71/97/681347197.db2.gz DYSUHQDAVDGBTE-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001028600826 681347202 /nfs/dbraw/zinc/34/72/02/681347202.db2.gz DYSUHQDAVDGBTE-UXHICEINSA-N 2 1 339.483 2.031 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001028603595 681359240 /nfs/dbraw/zinc/35/92/40/681359240.db2.gz DUHRILZHILRGGX-HKUYNNGSSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001028603595 681359248 /nfs/dbraw/zinc/35/92/48/681359248.db2.gz DUHRILZHILRGGX-HKUYNNGSSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001028603595 681359251 /nfs/dbraw/zinc/35/92/51/681359251.db2.gz DUHRILZHILRGGX-HKUYNNGSSA-N 2 1 343.515 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001028603595 681359257 /nfs/dbraw/zinc/35/92/57/681359257.db2.gz DUHRILZHILRGGX-HKUYNNGSSA-N 2 1 343.515 2.102 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750087 681412410 /nfs/dbraw/zinc/41/24/10/681412410.db2.gz LSOXCPWVKVNWHZ-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC[C@H](C)F)CC1 ZINC001024811863 681463511 /nfs/dbraw/zinc/46/35/11/681463511.db2.gz CFYWSLCHWSSLFO-FUHWJXTLSA-N 2 1 337.483 2.050 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982555524 681640595 /nfs/dbraw/zinc/64/05/95/681640595.db2.gz ALXYSMPDNSOCTL-SIUPPRGNSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982555524 681640598 /nfs/dbraw/zinc/64/05/98/681640598.db2.gz ALXYSMPDNSOCTL-SIUPPRGNSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982555524 681640600 /nfs/dbraw/zinc/64/06/00/681640600.db2.gz ALXYSMPDNSOCTL-SIUPPRGNSA-N 2 1 339.911 2.107 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982555524 681640602 /nfs/dbraw/zinc/64/06/02/681640602.db2.gz ALXYSMPDNSOCTL-SIUPPRGNSA-N 2 1 339.911 2.107 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982598954 681774317 /nfs/dbraw/zinc/77/43/17/681774317.db2.gz NLRMYSNIIFKNNC-KDURUIRLSA-N 2 1 330.476 2.363 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@]2(C)C1 ZINC000982598954 681774322 /nfs/dbraw/zinc/77/43/22/681774322.db2.gz NLRMYSNIIFKNNC-KDURUIRLSA-N 2 1 330.476 2.363 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)Cc3cn4c(n3)CCCC4)CCC[C@H]12 ZINC000990811859 693890434 /nfs/dbraw/zinc/89/04/34/693890434.db2.gz BDVDSNBKBOIZKL-PXNSSMCTSA-N 2 1 342.487 2.451 20 30 EEEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N1CCC(O)CC1 ZINC000262796547 688485196 /nfs/dbraw/zinc/48/51/96/688485196.db2.gz PPPYSSPNMACMBT-KRWDZBQOSA-N 2 1 336.524 2.063 20 30 EEEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988964722 691331365 /nfs/dbraw/zinc/33/13/65/691331365.db2.gz DVLNOZYQGUENGQ-KBPBESRZSA-N 2 1 346.500 2.183 20 30 EEEDMP C#Cc1ccc(C(=O)N2CCC[N@H+](C3CCN(CC)CC3)CC2)cc1 ZINC000897998203 691836564 /nfs/dbraw/zinc/83/65/64/691836564.db2.gz OTJKIGDRIGQGOS-UHFFFAOYSA-N 2 1 339.483 2.300 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000977659806 692889671 /nfs/dbraw/zinc/88/96/71/692889671.db2.gz YETWJJYPAOSMPU-FUHWJXTLSA-N 2 1 333.520 2.204 20 30 EEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001088381963 1186751146 /nfs/dbraw/zinc/75/11/46/1186751146.db2.gz QQEJVBCDWDYXEB-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001105438467 1187119711 /nfs/dbraw/zinc/11/97/11/1187119711.db2.gz IMLMHDDEDICHPA-QFUCXCTJSA-N 2 1 341.499 2.463 20 30 EEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563516 1188179678 /nfs/dbraw/zinc/17/96/78/1188179678.db2.gz ONLNFQGEUGGWPC-MSOLQXFVSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991070928 1189860094 /nfs/dbraw/zinc/86/00/94/1189860094.db2.gz WUPHRTNOAMAUJI-TXPKVOOTSA-N 2 1 328.460 2.450 20 30 EEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991070928 1189860100 /nfs/dbraw/zinc/86/01/00/1189860100.db2.gz WUPHRTNOAMAUJI-TXPKVOOTSA-N 2 1 328.460 2.450 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCn2ncc(CNC(=O)C[N@@H+](C)C(C)C)c2C1 ZINC001128593803 1194454380 /nfs/dbraw/zinc/45/43/80/1194454380.db2.gz LTRVMLJMNVOWQD-MRXNPFEDSA-N 2 1 347.507 2.010 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCn2ncc(CNC(=O)C[N@H+](C)C(C)C)c2C1 ZINC001128593803 1194454383 /nfs/dbraw/zinc/45/43/83/1194454383.db2.gz LTRVMLJMNVOWQD-MRXNPFEDSA-N 2 1 347.507 2.010 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCn2ncc(CNC(=O)C[NH+](C)C(C)C)c2C1 ZINC001128593803 1194454387 /nfs/dbraw/zinc/45/43/87/1194454387.db2.gz LTRVMLJMNVOWQD-MRXNPFEDSA-N 2 1 347.507 2.010 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCn2ncc(CNC(=O)C[NH+](C)C(C)C)c2C1 ZINC001128593803 1194454391 /nfs/dbraw/zinc/45/43/91/1194454391.db2.gz LTRVMLJMNVOWQD-MRXNPFEDSA-N 2 1 347.507 2.010 20 30 EEEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001005177932 1194667320 /nfs/dbraw/zinc/66/73/20/1194667320.db2.gz GGWHTVIAXQUOCX-HXUWFJFHSA-N 2 1 339.483 2.055 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001018157019 1224405253 /nfs/dbraw/zinc/40/52/53/1224405253.db2.gz BLYNHIQXCJIFNS-KDURUIRLSA-N 2 1 331.504 2.360 20 30 EEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001202511973 1197954430 /nfs/dbraw/zinc/95/44/30/1197954430.db2.gz XDSQWSRVPKFUBA-UHFFFAOYSA-N 2 1 346.475 2.431 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132425511 1199714416 /nfs/dbraw/zinc/71/44/16/1199714416.db2.gz IXHNVPCQLORLJN-ZWKOTPCHSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132425509 1199715389 /nfs/dbraw/zinc/71/53/89/1199715389.db2.gz IXHNVPCQLORLJN-QZTJIDSGSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018314410 1224599319 /nfs/dbraw/zinc/59/93/19/1224599319.db2.gz UHVFRQIIOAMZGY-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018314410 1224599323 /nfs/dbraw/zinc/59/93/23/1224599323.db2.gz UHVFRQIIOAMZGY-CEXWTWQISA-N 2 1 331.504 2.195 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@@H]1C ZINC001133118756 1200473700 /nfs/dbraw/zinc/47/37/00/1200473700.db2.gz XJMGPDMUYFQIMP-HOTGVXAUSA-N 2 1 346.475 2.144 20 30 EEEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001133407674 1200875796 /nfs/dbraw/zinc/87/57/96/1200875796.db2.gz LTAPMZWHCPJRQP-KRWDZBQOSA-N 2 1 347.890 2.233 20 30 EEEDMP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000131177226 1202028061 /nfs/dbraw/zinc/02/80/61/1202028061.db2.gz GMLFXKMIQCWHAT-HIRMHNASSA-N 2 1 336.524 2.108 20 30 EEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001202588696 1202182009 /nfs/dbraw/zinc/18/20/09/1202182009.db2.gz KSSYRWZFBOWZND-UXHICEINSA-N 2 1 341.499 2.489 20 30 EEEDMP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000924680040 1206017116 /nfs/dbraw/zinc/01/71/16/1206017116.db2.gz QNKUXNCGUXVZQY-MRXNPFEDSA-N 2 1 342.487 2.492 20 30 EEEDMP N#Cc1cccc(CN2CCC([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)c1 ZINC000925701853 1206144957 /nfs/dbraw/zinc/14/49/57/1206144957.db2.gz HDCKWXFAKHTYLU-GBMAXXPESA-N 2 1 336.483 2.109 20 30 EEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095772363 1208504709 /nfs/dbraw/zinc/50/47/09/1208504709.db2.gz RDVYQAVUSUDNLM-HFTRVMKXSA-N 2 1 328.460 2.060 20 30 EEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095772363 1208504711 /nfs/dbraw/zinc/50/47/11/1208504711.db2.gz RDVYQAVUSUDNLM-HFTRVMKXSA-N 2 1 328.460 2.060 20 30 EEEDMP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001111268786 1208519159 /nfs/dbraw/zinc/51/91/59/1208519159.db2.gz BBDJLMQAFHFFKL-YRXWBPOGSA-N 2 1 325.456 2.034 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1C#N ZINC000948039696 1208835201 /nfs/dbraw/zinc/83/52/01/1208835201.db2.gz JWHOXYZXDVDANX-APWZRJJASA-N 2 1 340.471 2.123 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948067387 1208852420 /nfs/dbraw/zinc/85/24/20/1208852420.db2.gz VNTMHLNKBJXBJE-AEFFLSMTSA-N 2 1 327.472 2.354 20 30 EEEDMP CCCCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000303784001 1213905402 /nfs/dbraw/zinc/90/54/02/1213905402.db2.gz OUTIVKGTFFTPDA-UHFFFAOYSA-N 2 1 345.535 2.419 20 30 EEEDMP CC(C)C[N@H+]1CCO[C@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303788669 1213906238 /nfs/dbraw/zinc/90/62/38/1213906238.db2.gz UMFNRMAPVGXCFC-GOSISDBHSA-N 2 1 332.492 2.051 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001015713595 1225586823 /nfs/dbraw/zinc/58/68/23/1225586823.db2.gz PDNPOYWBTHGNND-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015713595 1225586826 /nfs/dbraw/zinc/58/68/26/1225586826.db2.gz PDNPOYWBTHGNND-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015713595 1225586830 /nfs/dbraw/zinc/58/68/30/1225586830.db2.gz PDNPOYWBTHGNND-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000304781398 1216104839 /nfs/dbraw/zinc/10/48/39/1216104839.db2.gz GGHYYSZWICFZHY-DZGCQCFKSA-N 2 1 338.883 2.496 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1Cl ZINC000304814388 1216106682 /nfs/dbraw/zinc/10/66/82/1216106682.db2.gz ZPJOFWVJJOYXDD-KBPBESRZSA-N 2 1 338.883 2.496 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](OC)c1ccccc1Cl ZINC000305062768 1216138915 /nfs/dbraw/zinc/13/89/15/1216138915.db2.gz KGKACEIZHKKGQL-CZUORRHYSA-N 2 1 338.883 2.416 20 30 EEEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961197841 1217083417 /nfs/dbraw/zinc/08/34/17/1217083417.db2.gz HANPASOXNWMOEV-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000961769498 1217319556 /nfs/dbraw/zinc/31/95/56/1217319556.db2.gz DYNMTMYRHMWBQE-BWTSREIZSA-N 2 1 327.472 2.027 20 30 EEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000965842553 1219281227 /nfs/dbraw/zinc/28/12/27/1219281227.db2.gz SUHCMVUQUJPZOB-HOUHCIJLSA-N 2 1 325.884 2.098 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401785 1220483386 /nfs/dbraw/zinc/48/33/86/1220483386.db2.gz HAPVSICKMJIZNB-RDJZCZTQSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401785 1220483389 /nfs/dbraw/zinc/48/33/89/1220483389.db2.gz HAPVSICKMJIZNB-RDJZCZTQSA-N 2 1 330.476 2.165 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928160 1221679258 /nfs/dbraw/zinc/67/92/58/1221679258.db2.gz DHSNPAWMERQJJH-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928160 1221679261 /nfs/dbraw/zinc/67/92/61/1221679261.db2.gz DHSNPAWMERQJJH-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000968928160 1221679263 /nfs/dbraw/zinc/67/92/63/1221679263.db2.gz DHSNPAWMERQJJH-MOPGFXCFSA-N 2 1 333.520 2.491 20 30 EEEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000968967453 1221705745 /nfs/dbraw/zinc/70/57/45/1221705745.db2.gz PQLRSOGINXTQOF-RTBURBONSA-N 2 1 340.471 2.123 20 30 EEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968990839 1221723409 /nfs/dbraw/zinc/72/34/09/1221723409.db2.gz OQQAWKXPHGCAPV-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990839 1221723412 /nfs/dbraw/zinc/72/34/12/1221723412.db2.gz OQQAWKXPHGCAPV-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990839 1221723417 /nfs/dbraw/zinc/72/34/17/1221723417.db2.gz OQQAWKXPHGCAPV-MOPGFXCFSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022252 1221747675 /nfs/dbraw/zinc/74/76/75/1221747675.db2.gz AFCKMBRWNFJMMC-ZWKOTPCHSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022252 1221747679 /nfs/dbraw/zinc/74/76/79/1221747679.db2.gz AFCKMBRWNFJMMC-ZWKOTPCHSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342186 1222182590 /nfs/dbraw/zinc/18/25/90/1222182590.db2.gz FNKPLBIQFSOSII-QZTJIDSGSA-N 2 1 331.504 2.245 20 30 EEEDMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200902 1223173629 /nfs/dbraw/zinc/17/36/29/1223173629.db2.gz ILSTVONOXHTIMN-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200902 1223173631 /nfs/dbraw/zinc/17/36/31/1223173631.db2.gz ILSTVONOXHTIMN-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200902 1223173635 /nfs/dbraw/zinc/17/36/35/1223173635.db2.gz ILSTVONOXHTIMN-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200902 1223173638 /nfs/dbraw/zinc/17/36/38/1223173638.db2.gz ILSTVONOXHTIMN-LSDHHAIUSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001009625939 1223307799 /nfs/dbraw/zinc/30/77/99/1223307799.db2.gz GDEADMCDRPLQDQ-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016663880 1226748865 /nfs/dbraw/zinc/74/88/65/1226748865.db2.gz VZXFKPXLDGKPOS-ZWKOTPCHSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016788535 1226878222 /nfs/dbraw/zinc/87/82/22/1226878222.db2.gz ZRAVCLJKKTUUKI-MOPGFXCFSA-N 2 1 343.515 2.387 20 30 EEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001016794147 1226884885 /nfs/dbraw/zinc/88/48/85/1226884885.db2.gz SMZJNHJCOANCOZ-WMZOPIPTSA-N 2 1 342.487 2.301 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001019820489 1229363357 /nfs/dbraw/zinc/36/33/57/1229363357.db2.gz MCABXSXXWYNJTP-OALUTQOASA-N 2 1 340.471 2.123 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001020214162 1229558100 /nfs/dbraw/zinc/55/81/00/1229558100.db2.gz KNWHXCPDDLCTIB-GUDVDZBRSA-N 2 1 340.471 2.169 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182120 1230409370 /nfs/dbraw/zinc/40/93/70/1230409370.db2.gz JILVOKCBVGBMNA-FQEVSTJZSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039238308 1230471864 /nfs/dbraw/zinc/47/18/64/1230471864.db2.gz NBWWOCOQJDFUML-GOEBONIOSA-N 2 1 336.867 2.408 20 30 EEEDMP C=C(Cl)CN1CC[C@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039238308 1230471866 /nfs/dbraw/zinc/47/18/66/1230471866.db2.gz NBWWOCOQJDFUML-GOEBONIOSA-N 2 1 336.867 2.408 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001039437614 1230610136 /nfs/dbraw/zinc/61/01/36/1230610136.db2.gz QOXPVWBWJWPNGY-KSZLIROESA-N 2 1 342.487 2.395 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001039437614 1230610137 /nfs/dbraw/zinc/61/01/37/1230610137.db2.gz QOXPVWBWJWPNGY-KSZLIROESA-N 2 1 342.487 2.395 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244317 1231128987 /nfs/dbraw/zinc/12/89/87/1231128987.db2.gz ITVCCYRGXNHGSG-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244317 1231128990 /nfs/dbraw/zinc/12/89/90/1231128990.db2.gz ITVCCYRGXNHGSG-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040244317 1231128993 /nfs/dbraw/zinc/12/89/93/1231128993.db2.gz ITVCCYRGXNHGSG-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430355 1231227817 /nfs/dbraw/zinc/22/78/17/1231227817.db2.gz BGJWPJUJQBQSRY-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040700031 1231340304 /nfs/dbraw/zinc/34/03/04/1231340304.db2.gz GPFRWDQCEUQDFD-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045942983 1234202097 /nfs/dbraw/zinc/20/20/97/1234202097.db2.gz DQTOTRMHDGCWAE-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045942983 1234202099 /nfs/dbraw/zinc/20/20/99/1234202099.db2.gz DQTOTRMHDGCWAE-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045942983 1234202101 /nfs/dbraw/zinc/20/21/01/1234202101.db2.gz DQTOTRMHDGCWAE-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001045943317 1234202936 /nfs/dbraw/zinc/20/29/36/1234202936.db2.gz HUMZONFXKRFBAN-XLIONFOSSA-N 2 1 340.471 2.098 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001045943317 1234202937 /nfs/dbraw/zinc/20/29/37/1234202937.db2.gz HUMZONFXKRFBAN-XLIONFOSSA-N 2 1 340.471 2.098 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951630 1234218375 /nfs/dbraw/zinc/21/83/75/1234218375.db2.gz GROYMUHJRHFRSF-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951630 1234218377 /nfs/dbraw/zinc/21/83/77/1234218377.db2.gz GROYMUHJRHFRSF-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045966677 1234246560 /nfs/dbraw/zinc/24/65/60/1234246560.db2.gz CGNYIQGQAMCDDQ-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001045966677 1234246564 /nfs/dbraw/zinc/24/65/64/1234246564.db2.gz CGNYIQGQAMCDDQ-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001045966677 1234246567 /nfs/dbraw/zinc/24/65/67/1234246567.db2.gz CGNYIQGQAMCDDQ-QUCCMNQESA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC(CC)CC)C2)CC1 ZINC001046849191 1235246756 /nfs/dbraw/zinc/24/67/56/1235246756.db2.gz CFGFRVOWORVDBX-FQEVSTJZSA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046941405 1235333531 /nfs/dbraw/zinc/33/35/31/1235333531.db2.gz NCNLQPGHSMNSBD-BZUAXINKSA-N 2 1 343.462 2.366 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046941405 1235333535 /nfs/dbraw/zinc/33/35/35/1235333535.db2.gz NCNLQPGHSMNSBD-BZUAXINKSA-N 2 1 343.462 2.366 20 30 EEEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046941405 1235333538 /nfs/dbraw/zinc/33/35/38/1235333538.db2.gz NCNLQPGHSMNSBD-BZUAXINKSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046988453 1235397951 /nfs/dbraw/zinc/39/79/51/1235397951.db2.gz ODEPKIDUZHYNQX-INIZCTEOSA-N 2 1 343.462 2.366 20 30 EEEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047242505 1235730177 /nfs/dbraw/zinc/73/01/77/1235730177.db2.gz SXSSAHZSFSMDDW-YZGWKJHDSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001047263570 1235774387 /nfs/dbraw/zinc/77/43/87/1235774387.db2.gz BUSSUSLURLDIGR-LJQANCHMSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)Cl ZINC001048532893 1237894977 /nfs/dbraw/zinc/89/49/77/1237894977.db2.gz KFQIKUWKKVPRSJ-MHORFTMASA-N 2 1 349.906 2.196 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)Cl ZINC001048532893 1237894991 /nfs/dbraw/zinc/89/49/91/1237894991.db2.gz KFQIKUWKKVPRSJ-MHORFTMASA-N 2 1 349.906 2.196 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC(=C)Cl ZINC001048532893 1237894998 /nfs/dbraw/zinc/89/49/98/1237894998.db2.gz KFQIKUWKKVPRSJ-MHORFTMASA-N 2 1 349.906 2.196 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC(=C)Cl ZINC001048532893 1237895003 /nfs/dbraw/zinc/89/50/03/1237895003.db2.gz KFQIKUWKKVPRSJ-MHORFTMASA-N 2 1 349.906 2.196 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048910869 1239230246 /nfs/dbraw/zinc/23/02/46/1239230246.db2.gz MSIKEGJOCGTCGJ-CALCHBBNSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048910869 1239230253 /nfs/dbraw/zinc/23/02/53/1239230253.db2.gz MSIKEGJOCGTCGJ-CALCHBBNSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048910869 1239230262 /nfs/dbraw/zinc/23/02/62/1239230262.db2.gz MSIKEGJOCGTCGJ-CALCHBBNSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514654 1241188117 /nfs/dbraw/zinc/18/81/17/1241188117.db2.gz IFYLXYKLFVDNQT-IPMKNSEASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514654 1241188124 /nfs/dbraw/zinc/18/81/24/1241188124.db2.gz IFYLXYKLFVDNQT-IPMKNSEASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514654 1241188136 /nfs/dbraw/zinc/18/81/36/1241188136.db2.gz IFYLXYKLFVDNQT-IPMKNSEASA-N 2 1 331.504 2.053 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049568399 1241453303 /nfs/dbraw/zinc/45/33/03/1241453303.db2.gz VKQBMDFVKNLWRQ-OTWHNJEPSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049568399 1241453308 /nfs/dbraw/zinc/45/33/08/1241453308.db2.gz VKQBMDFVKNLWRQ-OTWHNJEPSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049568399 1241453316 /nfs/dbraw/zinc/45/33/16/1241453316.db2.gz VKQBMDFVKNLWRQ-OTWHNJEPSA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049598273 1241593678 /nfs/dbraw/zinc/59/36/78/1241593678.db2.gz MFTFXQLRVHTQMP-MOPGFXCFSA-N 2 1 342.487 2.403 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001049598273 1241593681 /nfs/dbraw/zinc/59/36/81/1241593681.db2.gz MFTFXQLRVHTQMP-MOPGFXCFSA-N 2 1 342.487 2.403 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001049663808 1241813453 /nfs/dbraw/zinc/81/34/53/1241813453.db2.gz ODJPXUXNCWCCTQ-AQNXPRMDSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001049663808 1241813464 /nfs/dbraw/zinc/81/34/64/1241813464.db2.gz ODJPXUXNCWCCTQ-AQNXPRMDSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001049663808 1241813474 /nfs/dbraw/zinc/81/34/74/1241813474.db2.gz ODJPXUXNCWCCTQ-AQNXPRMDSA-N 2 1 343.515 2.482 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049912748 1242672160 /nfs/dbraw/zinc/67/21/60/1242672160.db2.gz OILCLIBAFQIBKG-MOPGFXCFSA-N 2 1 325.456 2.060 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001050049651 1242722388 /nfs/dbraw/zinc/72/23/88/1242722388.db2.gz OTRLPYMVUKHUQF-OKZBNKHCSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001050049651 1242722399 /nfs/dbraw/zinc/72/23/99/1242722399.db2.gz OTRLPYMVUKHUQF-OKZBNKHCSA-N 2 1 342.487 2.343 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001073899588 1242762203 /nfs/dbraw/zinc/76/22/03/1242762203.db2.gz XYAXLPAGYONGHS-GOSISDBHSA-N 2 1 345.487 2.145 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001050121616 1242924365 /nfs/dbraw/zinc/92/43/65/1242924365.db2.gz BOUDKGMNTNOVSX-GBESFXJTSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050121616 1242924375 /nfs/dbraw/zinc/92/43/75/1242924375.db2.gz BOUDKGMNTNOVSX-GBESFXJTSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050121616 1242924380 /nfs/dbraw/zinc/92/43/80/1242924380.db2.gz BOUDKGMNTNOVSX-GBESFXJTSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517877 1243770606 /nfs/dbraw/zinc/77/06/06/1243770606.db2.gz IXFWTAWDGWYJAQ-ROUUACIJSA-N 2 1 331.504 2.361 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001050630467 1243991109 /nfs/dbraw/zinc/99/11/09/1243991109.db2.gz QYCIVNDCTMAKTQ-SFHVURJKSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CCC[N@H+](CC)C3)C2)CC1 ZINC001053054591 1245782025 /nfs/dbraw/zinc/78/20/25/1245782025.db2.gz OAZFIDKEDFIPAN-VQTJNVASSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438852 1247285683 /nfs/dbraw/zinc/28/56/83/1247285683.db2.gz CVKIPMZHAARUKM-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001052438852 1247285691 /nfs/dbraw/zinc/28/56/91/1247285691.db2.gz CVKIPMZHAARUKM-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001052438852 1247285702 /nfs/dbraw/zinc/28/57/02/1247285702.db2.gz CVKIPMZHAARUKM-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145039 1247515897 /nfs/dbraw/zinc/51/58/97/1247515897.db2.gz INJQHCFYDOUGKH-LPHOPBHVSA-N 2 1 328.460 2.261 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001054145039 1247515908 /nfs/dbraw/zinc/51/59/08/1247515908.db2.gz INJQHCFYDOUGKH-LPHOPBHVSA-N 2 1 328.460 2.261 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164925 1247581265 /nfs/dbraw/zinc/58/12/65/1247581265.db2.gz XEZDWFDXXJCDAS-FQEVSTJZSA-N 2 1 336.439 2.286 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052650979 1247772757 /nfs/dbraw/zinc/77/27/57/1247772757.db2.gz BZTAAMGFWWUTTI-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052650979 1247772761 /nfs/dbraw/zinc/77/27/61/1247772761.db2.gz BZTAAMGFWWUTTI-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052650979 1247772770 /nfs/dbraw/zinc/77/27/70/1247772770.db2.gz BZTAAMGFWWUTTI-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054229521 1247788300 /nfs/dbraw/zinc/78/83/00/1247788300.db2.gz XPIPAGZNNMCFAI-LJQANCHMSA-N 2 1 331.504 2.363 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071895584 1254761852 /nfs/dbraw/zinc/76/18/52/1254761852.db2.gz AFYXVLOEFLEKIS-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099356 1254930123 /nfs/dbraw/zinc/93/01/23/1254930123.db2.gz PSKZFUOCRJRBTB-FUHWJXTLSA-N 2 1 327.472 2.354 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072728638 1255332445 /nfs/dbraw/zinc/33/24/45/1255332445.db2.gz BXRHFEZQYGPRPO-OAHLLOKOSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072728638 1255332453 /nfs/dbraw/zinc/33/24/53/1255332453.db2.gz BXRHFEZQYGPRPO-OAHLLOKOSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072728638 1255332460 /nfs/dbraw/zinc/33/24/60/1255332460.db2.gz BXRHFEZQYGPRPO-OAHLLOKOSA-N 2 1 325.884 2.146 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072728638 1255332467 /nfs/dbraw/zinc/33/24/67/1255332467.db2.gz BXRHFEZQYGPRPO-OAHLLOKOSA-N 2 1 325.884 2.146 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C=C\Cl)C3)CC1 ZINC001099174223 1257993446 /nfs/dbraw/zinc/99/34/46/1257993446.db2.gz DVQIHNVSXXWDDU-LKSQIJGKSA-N 2 1 349.906 2.055 20 30 EEEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)COCC[NH+](C)C ZINC001099310555 1258072771 /nfs/dbraw/zinc/07/27/71/1258072771.db2.gz PKKBGPNVZAJSIX-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201052026 1287272224 /nfs/dbraw/zinc/27/22/24/1287272224.db2.gz DGFPMKRPBPZZDD-IBGZPJMESA-N 2 1 349.519 2.177 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001187322661 1279489937 /nfs/dbraw/zinc/48/99/37/1279489937.db2.gz QWYLMFRMYPOFEY-QGZVFWFLSA-N 2 1 347.890 2.224 20 30 EEEDMP C=CCC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1OC ZINC001198902096 1285402816 /nfs/dbraw/zinc/40/28/16/1285402816.db2.gz DOMYQPBKUGTUSM-WMZOPIPTSA-N 2 1 345.487 2.360 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001201321770 1289480014 /nfs/dbraw/zinc/48/00/14/1289480014.db2.gz VUMOSIYKHMZBMD-UHFFFAOYSA-N 2 1 348.516 2.431 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCC3CC3)C2)CC1 ZINC001072095586 1295238042 /nfs/dbraw/zinc/23/80/42/1295238042.db2.gz KWCXXEHJCCDYDO-VQIMIIECSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636456 1296540036 /nfs/dbraw/zinc/54/00/36/1296540036.db2.gz KJSFYMZXOZIDQX-ZHALLVOQSA-N 2 1 331.504 2.101 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215765909 1296987129 /nfs/dbraw/zinc/98/71/29/1296987129.db2.gz CPZASJZLBXXQNV-IAGOWNOFSA-N 2 1 348.491 2.036 20 30 EEEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001073742930 1297473608 /nfs/dbraw/zinc/47/36/08/1297473608.db2.gz JFDMIKCSFFCNGE-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001073742930 1297473612 /nfs/dbraw/zinc/47/36/12/1297473612.db2.gz JFDMIKCSFFCNGE-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001073742930 1297473620 /nfs/dbraw/zinc/47/36/20/1297473620.db2.gz JFDMIKCSFFCNGE-MOPGFXCFSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801627 1297543698 /nfs/dbraw/zinc/54/36/98/1297543698.db2.gz QBOQBEBWAQCKEL-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801627 1297543711 /nfs/dbraw/zinc/54/37/11/1297543711.db2.gz QBOQBEBWAQCKEL-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801627 1297543719 /nfs/dbraw/zinc/54/37/19/1297543719.db2.gz QBOQBEBWAQCKEL-MSOLQXFVSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001074684614 1298248011 /nfs/dbraw/zinc/24/80/11/1298248011.db2.gz XNKNEPIBYSDUAW-JYJNAYRXSA-N 2 1 327.900 2.296 20 30 EEEDMP C=CCOCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099354741 1299078411 /nfs/dbraw/zinc/07/84/11/1299078411.db2.gz VKFVOSCQXVIKOB-QGZVFWFLSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354741 1299078418 /nfs/dbraw/zinc/07/84/18/1299078418.db2.gz VKFVOSCQXVIKOB-QGZVFWFLSA-N 2 1 339.524 2.136 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354741 1299078425 /nfs/dbraw/zinc/07/84/25/1299078425.db2.gz VKFVOSCQXVIKOB-QGZVFWFLSA-N 2 1 339.524 2.136 20 30 EEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001101551722 1299685629 /nfs/dbraw/zinc/68/56/29/1299685629.db2.gz ZAHZPXATYNLPEP-GOSISDBHSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001103050164 1302129843 /nfs/dbraw/zinc/12/98/43/1302129843.db2.gz VGTILVAWEDJCKN-ZACQAIPSSA-N 2 1 327.488 2.317 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCCCC)C[C@H]1C ZINC001103099270 1302221924 /nfs/dbraw/zinc/22/19/24/1302221924.db2.gz HGEBLMCOJJLVRT-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001103099270 1302221930 /nfs/dbraw/zinc/22/19/30/1302221930.db2.gz HGEBLMCOJJLVRT-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCCC)C[C@H]1C ZINC001103099270 1302221941 /nfs/dbraw/zinc/22/19/41/1302221941.db2.gz HGEBLMCOJJLVRT-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCCC)C[C@H]1C ZINC001103099270 1302221949 /nfs/dbraw/zinc/22/19/49/1302221949.db2.gz HGEBLMCOJJLVRT-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103147981 1302319070 /nfs/dbraw/zinc/31/90/70/1302319070.db2.gz IZSRWUPOHAHABQ-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001103147981 1302319079 /nfs/dbraw/zinc/31/90/79/1302319079.db2.gz IZSRWUPOHAHABQ-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001103147981 1302319090 /nfs/dbraw/zinc/31/90/90/1302319090.db2.gz IZSRWUPOHAHABQ-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001229291438 1302713472 /nfs/dbraw/zinc/71/34/72/1302713472.db2.gz DHPLJLZGDSGJJI-IBGZPJMESA-N 2 1 348.535 2.238 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376100 1302863677 /nfs/dbraw/zinc/86/36/77/1302863677.db2.gz KOONOLBMASLGFM-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376100 1302863692 /nfs/dbraw/zinc/86/36/92/1302863692.db2.gz KOONOLBMASLGFM-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001230279997 1303138169 /nfs/dbraw/zinc/13/81/69/1303138169.db2.gz LWHPRSYZEDAABG-RTBURBONSA-N 2 1 342.487 2.415 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001230348249 1303173155 /nfs/dbraw/zinc/17/31/55/1303173155.db2.gz YPPHFSCZVGSVDT-RTBURBONSA-N 2 1 327.472 2.159 20 30 EEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001230348249 1303173158 /nfs/dbraw/zinc/17/31/58/1303173158.db2.gz YPPHFSCZVGSVDT-RTBURBONSA-N 2 1 327.472 2.159 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230714177 1303409936 /nfs/dbraw/zinc/40/99/36/1303409936.db2.gz XKZLKAQRJMKZMM-GOSISDBHSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230714177 1303409939 /nfs/dbraw/zinc/40/99/39/1303409939.db2.gz XKZLKAQRJMKZMM-GOSISDBHSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230714177 1303409943 /nfs/dbraw/zinc/40/99/43/1303409943.db2.gz XKZLKAQRJMKZMM-GOSISDBHSA-N 2 1 330.476 2.060 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1cccnc1 ZINC001230783146 1303454927 /nfs/dbraw/zinc/45/49/27/1303454927.db2.gz AGMNKRUHYGJENN-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001111500348 1303664984 /nfs/dbraw/zinc/66/49/84/1303664984.db2.gz BRTPIMQCKVZBDH-QRVBRYPASA-N 2 1 327.472 2.416 20 30 EEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001111500348 1303664988 /nfs/dbraw/zinc/66/49/88/1303664988.db2.gz BRTPIMQCKVZBDH-QRVBRYPASA-N 2 1 327.472 2.416 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111500348 1303664993 /nfs/dbraw/zinc/66/49/93/1303664993.db2.gz BRTPIMQCKVZBDH-QRVBRYPASA-N 2 1 327.472 2.416 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111500348 1303664998 /nfs/dbraw/zinc/66/49/98/1303664998.db2.gz BRTPIMQCKVZBDH-QRVBRYPASA-N 2 1 327.472 2.416 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166411 1304290222 /nfs/dbraw/zinc/29/02/22/1304290222.db2.gz SHRCVSMVAVUDIB-RBSFLKMASA-N 2 1 347.425 2.416 20 30 EEEDMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3C)CC[C@@H]2C1 ZINC001233082033 1304355497 /nfs/dbraw/zinc/35/54/97/1304355497.db2.gz YTPGDPIUFPOQSQ-WOJBJXKFSA-N 2 1 343.471 2.036 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=C)Cl)C1 ZINC001112404262 1304525747 /nfs/dbraw/zinc/52/57/47/1304525747.db2.gz POWPGCNXOVTAGU-LNLFQRSKSA-N 2 1 349.906 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=C)Cl)C1 ZINC001112404262 1304525752 /nfs/dbraw/zinc/52/57/52/1304525752.db2.gz POWPGCNXOVTAGU-LNLFQRSKSA-N 2 1 349.906 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001115109029 1304691483 /nfs/dbraw/zinc/69/14/83/1304691483.db2.gz ROHIEVBAMFTLEU-DOADOZAASA-N 2 1 327.472 2.086 20 30 EEEDMP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001121595624 1310063577 /nfs/dbraw/zinc/06/35/77/1310063577.db2.gz UIUXWIWHSSVQFF-ULQDDVLXSA-N 2 1 346.523 2.192 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001121595624 1310063584 /nfs/dbraw/zinc/06/35/84/1310063584.db2.gz UIUXWIWHSSVQFF-ULQDDVLXSA-N 2 1 346.523 2.192 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001121595624 1310063593 /nfs/dbraw/zinc/06/35/93/1310063593.db2.gz UIUXWIWHSSVQFF-ULQDDVLXSA-N 2 1 346.523 2.192 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001246307023 1310276136 /nfs/dbraw/zinc/27/61/36/1310276136.db2.gz YXAXRLQTUKNSSQ-HNNXBMFYSA-N 2 1 341.496 2.214 20 30 EEEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001149733777 1316029506 /nfs/dbraw/zinc/02/95/06/1316029506.db2.gz NBFDOBYKJVSOFM-SJORKVTESA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001149733777 1316029510 /nfs/dbraw/zinc/02/95/10/1316029510.db2.gz NBFDOBYKJVSOFM-SJORKVTESA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855424 1316069039 /nfs/dbraw/zinc/06/90/39/1316069039.db2.gz YTZRJSGDYRTFFW-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149855424 1316069042 /nfs/dbraw/zinc/06/90/42/1316069042.db2.gz YTZRJSGDYRTFFW-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001149855424 1316069046 /nfs/dbraw/zinc/06/90/46/1316069046.db2.gz YTZRJSGDYRTFFW-SJLPKXTDSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150299705 1316229192 /nfs/dbraw/zinc/22/91/92/1316229192.db2.gz RECFLDZWPLSHHX-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001150451912 1316268043 /nfs/dbraw/zinc/26/80/43/1316268043.db2.gz BVVWZNGPYZFYNS-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001150451912 1316268050 /nfs/dbraw/zinc/26/80/50/1316268050.db2.gz BVVWZNGPYZFYNS-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001150451912 1316268054 /nfs/dbraw/zinc/26/80/54/1316268054.db2.gz BVVWZNGPYZFYNS-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP C=CCC[C@@H](C)[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150626079 1316320526 /nfs/dbraw/zinc/32/05/26/1316320526.db2.gz SPHXZSRLCHAKHB-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626079 1316320529 /nfs/dbraw/zinc/32/05/29/1316320529.db2.gz SPHXZSRLCHAKHB-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626079 1316320531 /nfs/dbraw/zinc/32/05/31/1316320531.db2.gz SPHXZSRLCHAKHB-MSOLQXFVSA-N 2 1 339.524 2.280 20 30 EEEDMP CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150706788 1316349191 /nfs/dbraw/zinc/34/91/91/1316349191.db2.gz NKRFCTYFRGTAKQ-ROUUACIJSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001150706788 1316349194 /nfs/dbraw/zinc/34/91/94/1316349194.db2.gz NKRFCTYFRGTAKQ-ROUUACIJSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001150706788 1316349196 /nfs/dbraw/zinc/34/91/96/1316349196.db2.gz NKRFCTYFRGTAKQ-ROUUACIJSA-N 2 1 339.524 2.116 20 30 EEEDMP C=CCCC[NH+]1CCC(CCOC)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001151387779 1316518974 /nfs/dbraw/zinc/51/89/74/1316518974.db2.gz PSVLIFMLUSWDSC-UHFFFAOYSA-N 2 1 339.524 2.282 20 30 EEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249428623 1317084261 /nfs/dbraw/zinc/08/42/61/1317084261.db2.gz VOIOKKMSPICQRS-VQTJNVASSA-N 2 1 337.471 2.250 20 30 EEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155238113 1317517392 /nfs/dbraw/zinc/51/73/92/1317517392.db2.gz ZKRYHRXIUZZALP-CRAIPNDOSA-N 2 1 325.472 2.049 20 30 EEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001155238113 1317517398 /nfs/dbraw/zinc/51/73/98/1317517398.db2.gz ZKRYHRXIUZZALP-CRAIPNDOSA-N 2 1 325.472 2.049 20 30 EEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001155238113 1317517405 /nfs/dbraw/zinc/51/74/05/1317517405.db2.gz ZKRYHRXIUZZALP-CRAIPNDOSA-N 2 1 325.472 2.049 20 30 EEEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001252471963 1317610092 /nfs/dbraw/zinc/61/00/92/1317610092.db2.gz LFIBXELGMXZCOY-PCCBWWKXSA-N 2 1 344.499 2.394 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001252471963 1317610097 /nfs/dbraw/zinc/61/00/97/1317610097.db2.gz LFIBXELGMXZCOY-PCCBWWKXSA-N 2 1 344.499 2.394 20 30 EEEDMP C=CCOC[C@H](O)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001252471963 1317610103 /nfs/dbraw/zinc/61/01/03/1317610103.db2.gz LFIBXELGMXZCOY-PCCBWWKXSA-N 2 1 344.499 2.394 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC2CCCC2)CC1 ZINC001157091800 1318395440 /nfs/dbraw/zinc/39/54/40/1318395440.db2.gz CFISGOUKCIRXSJ-QGZVFWFLSA-N 2 1 333.520 2.348 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109520 1318410838 /nfs/dbraw/zinc/41/08/38/1318410838.db2.gz PYOAKYDNILFYPR-MRXNPFEDSA-N 2 1 330.476 2.225 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157109520 1318410845 /nfs/dbraw/zinc/41/08/45/1318410845.db2.gz PYOAKYDNILFYPR-MRXNPFEDSA-N 2 1 330.476 2.225 20 30 EEEDMP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157109520 1318410852 /nfs/dbraw/zinc/41/08/52/1318410852.db2.gz PYOAKYDNILFYPR-MRXNPFEDSA-N 2 1 330.476 2.225 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)s1 ZINC001158040742 1318981576 /nfs/dbraw/zinc/98/15/76/1318981576.db2.gz YYFIPYOBTLBHAI-GJZGRUSLSA-N 2 1 346.500 2.090 20 30 EEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142567 1320083004 /nfs/dbraw/zinc/08/30/04/1320083004.db2.gz OKEHBSOPGPGMII-LJQANCHMSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001160142567 1320083009 /nfs/dbraw/zinc/08/30/09/1320083009.db2.gz OKEHBSOPGPGMII-LJQANCHMSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001160142567 1320083012 /nfs/dbraw/zinc/08/30/12/1320083012.db2.gz OKEHBSOPGPGMII-LJQANCHMSA-N 2 1 343.515 2.413 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCCCF)CC1 ZINC001160386411 1320151944 /nfs/dbraw/zinc/15/19/44/1320151944.db2.gz XIWDTSAFBRFYHK-IBGZPJMESA-N 2 1 349.494 2.362 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCCCF)CC1 ZINC001160386411 1320151948 /nfs/dbraw/zinc/15/19/48/1320151948.db2.gz XIWDTSAFBRFYHK-IBGZPJMESA-N 2 1 349.494 2.362 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCCCF)CC1 ZINC001160386411 1320151953 /nfs/dbraw/zinc/15/19/53/1320151953.db2.gz XIWDTSAFBRFYHK-IBGZPJMESA-N 2 1 349.494 2.362 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCCCF)CC1 ZINC001160386411 1320151955 /nfs/dbraw/zinc/15/19/55/1320151955.db2.gz XIWDTSAFBRFYHK-IBGZPJMESA-N 2 1 349.494 2.362 20 30 EEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465323 1320508965 /nfs/dbraw/zinc/50/89/65/1320508965.db2.gz IUEAOZHDJVJCBK-UHFFFAOYSA-N 2 1 328.460 2.133 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465323 1320508971 /nfs/dbraw/zinc/50/89/71/1320508971.db2.gz IUEAOZHDJVJCBK-UHFFFAOYSA-N 2 1 328.460 2.133 20 30 EEEDMP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001162848435 1320973196 /nfs/dbraw/zinc/97/31/96/1320973196.db2.gz ITSULOLFXAHVLM-HXUWFJFHSA-N 2 1 341.499 2.155 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001162928539 1320990423 /nfs/dbraw/zinc/99/04/23/1320990423.db2.gz JZQHTRUREPTOKZ-SFHVURJKSA-N 2 1 329.488 2.175 20 30 EEEDMP C=C(Cl)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001162997494 1321008641 /nfs/dbraw/zinc/00/86/41/1321008641.db2.gz VDSLOACPNRCVTH-GOSISDBHSA-N 2 1 349.906 2.352 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203824348 1321969146 /nfs/dbraw/zinc/96/91/46/1321969146.db2.gz ONKHCAQKYFIWKM-ZWKOTPCHSA-N 2 1 327.472 2.321 20 30 EEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203824348 1321969148 /nfs/dbraw/zinc/96/91/48/1321969148.db2.gz ONKHCAQKYFIWKM-ZWKOTPCHSA-N 2 1 327.472 2.321 20 30 EEEDMP C=CCn1c([C@@H]2CCCCN2C)nnc1N1CCN(C2CCC2)CC1 ZINC001262948565 1322402681 /nfs/dbraw/zinc/40/26/81/1322402681.db2.gz PSHXCYTWMNGADK-KRWDZBQOSA-N 2 1 344.507 2.295 20 30 EEEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206547994 1323529833 /nfs/dbraw/zinc/52/98/33/1323529833.db2.gz MIKXEEMQEWDUHY-MOPGFXCFSA-N 2 1 349.519 2.034 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001206794069 1323600505 /nfs/dbraw/zinc/60/05/05/1323600505.db2.gz HTFYFNDYOAXNGP-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001276687259 1325350197 /nfs/dbraw/zinc/35/01/97/1325350197.db2.gz ATKHHKYFIUKURQ-FQEVSTJZSA-N 2 1 341.503 2.193 20 30 EEEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001276687259 1325350207 /nfs/dbraw/zinc/35/02/07/1325350207.db2.gz ATKHHKYFIUKURQ-FQEVSTJZSA-N 2 1 341.503 2.193 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001210812364 1325446325 /nfs/dbraw/zinc/44/63/25/1325446325.db2.gz YRCVLSDKVSZGPZ-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001338852540 1336920023 /nfs/dbraw/zinc/92/00/23/1336920023.db2.gz YAOXBBDKJBTNRF-INIZCTEOSA-N 2 1 346.523 2.194 20 30 EEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CCCO1 ZINC001200548698 1338409764 /nfs/dbraw/zinc/40/97/64/1338409764.db2.gz VSRKEQAKPNPIOY-IRXDYDNUSA-N 2 1 348.491 2.180 20 30 EEEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001569597480 1342905896 /nfs/dbraw/zinc/90/58/96/1342905896.db2.gz GAJMXUWLMJWAIO-WOJBJXKFSA-N 2 1 335.451 2.314 20 30 EEEDMP C=CC[C@H](C(=O)[O-])[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001602829405 1350592407 /nfs/dbraw/zinc/59/24/07/1350592407.db2.gz NFXHRYLDHITDNF-GOSISDBHSA-N 2 1 337.508 2.144 20 30 EEEDMP C=CC[C@H](C(=O)[O-])[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001602829405 1350592411 /nfs/dbraw/zinc/59/24/11/1350592411.db2.gz NFXHRYLDHITDNF-GOSISDBHSA-N 2 1 337.508 2.144 20 30 EEEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC001198775666 1368643703 /nfs/dbraw/zinc/64/37/03/1368643703.db2.gz JDHQVLAVTVENQY-SJORKVTESA-N 2 1 331.460 2.112 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CCC3)C2)CC1 ZINC001072096209 1370606149 /nfs/dbraw/zinc/60/61/49/1370606149.db2.gz VLGOWORLMKQSKH-QFBILLFUSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000781421646 1371228384 /nfs/dbraw/zinc/22/83/84/1371228384.db2.gz RWYNRTWTMKHTQK-XUVXKRRUSA-N 2 1 339.483 2.016 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]Cc1ccccc1C#N)C1CC1 ZINC001367183543 1374116855 /nfs/dbraw/zinc/11/68/55/1374116855.db2.gz GGPZBGPKKMVHRZ-UYAOXDASSA-N 2 1 340.471 2.027 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001390076896 1388431797 /nfs/dbraw/zinc/43/17/97/1388431797.db2.gz OKIJORIKLRAGQY-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001390076896 1388431799 /nfs/dbraw/zinc/43/17/99/1388431799.db2.gz OKIJORIKLRAGQY-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001390076896 1388431801 /nfs/dbraw/zinc/43/18/01/1388431801.db2.gz OKIJORIKLRAGQY-OAHLLOKOSA-N 2 1 348.516 2.290 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001377394040 1379201444 /nfs/dbraw/zinc/20/14/44/1379201444.db2.gz YCRUYBHRPCEGFH-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001377394040 1379201447 /nfs/dbraw/zinc/20/14/47/1379201447.db2.gz YCRUYBHRPCEGFH-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001377394040 1379201448 /nfs/dbraw/zinc/20/14/48/1379201448.db2.gz YCRUYBHRPCEGFH-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CN(CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001381485333 1381623457 /nfs/dbraw/zinc/62/34/57/1381623457.db2.gz ONSXGERGUKEWJG-SFHVURJKSA-N 2 1 342.487 2.084 20 30 EEEDMP C=C(Br)C[N@H+]1CC[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001391315745 1389246415 /nfs/dbraw/zinc/24/64/15/1389246415.db2.gz HAMTYLMYZOGRJT-KBPBESRZSA-N 2 1 346.313 2.063 20 30 EEEDMP C=C(Br)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001391315745 1389246421 /nfs/dbraw/zinc/24/64/21/1389246421.db2.gz HAMTYLMYZOGRJT-KBPBESRZSA-N 2 1 346.313 2.063 20 30 EEEDMP C[N@@H+](CCNC(=O)CCC[NH+]1CCCC1)Cc1ccc(F)c(C#N)c1 ZINC001399667052 1395378387 /nfs/dbraw/zinc/37/83/87/1395378387.db2.gz LGYYVUZWEVMZMA-UHFFFAOYSA-N 2 1 346.450 2.121 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001753723191 1406765753 /nfs/dbraw/zinc/76/57/53/1406765753.db2.gz GYKXRRCZQFHAHB-INIZCTEOSA-N 2 1 349.906 2.470 20 30 EEEDMP C#CCC[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001755074212 1407083638 /nfs/dbraw/zinc/08/36/38/1407083638.db2.gz SHGYNGUEXFSINJ-IBGZPJMESA-N 2 1 333.520 2.350 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001755205678 1407219524 /nfs/dbraw/zinc/21/95/24/1407219524.db2.gz WFPJFRPKPAWUHJ-VQTJNVASSA-N 2 1 345.531 2.446 20 30 EEEDMP C#CC[C@]1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC001574515851 1403521527 /nfs/dbraw/zinc/52/15/27/1403521527.db2.gz AITGKINUKNPJFO-FXAWDEMLSA-N 2 1 327.472 2.159 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC001755850444 1407901652 /nfs/dbraw/zinc/90/16/52/1407901652.db2.gz DULDMEFKVDYQEB-UONOGXRCSA-N 2 1 344.381 2.137 20 30 EEEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121193542 1410215204 /nfs/dbraw/zinc/21/52/04/1410215204.db2.gz FDGSPPQQICRHMN-QAELIBMJSA-N 2 1 349.519 2.080 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942442808 782437653 /nfs/dbraw/zinc/43/76/53/782437653.db2.gz AKYNQNJNEDFXDX-DOTOQJQBSA-N 2 1 339.443 2.284 20 30 EEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104595687 762022188 /nfs/dbraw/zinc/02/21/88/762022188.db2.gz YLMXHZRMBAZQTI-OIISXLGYSA-N 2 1 330.476 2.014 20 30 EEEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001167628246 760774202 /nfs/dbraw/zinc/77/42/02/760774202.db2.gz XZRMHUGGTWRUQS-LJQANCHMSA-N 2 1 342.487 2.417 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C[C@H](C)O2 ZINC001098603030 764968270 /nfs/dbraw/zinc/96/82/70/764968270.db2.gz JDELEZLLPDOXAH-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089510720 770026143 /nfs/dbraw/zinc/02/61/43/770026143.db2.gz DPKYMEMHROBIPC-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089510720 770026156 /nfs/dbraw/zinc/02/61/56/770026156.db2.gz DPKYMEMHROBIPC-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089510720 770026169 /nfs/dbraw/zinc/02/61/69/770026169.db2.gz DPKYMEMHROBIPC-ROUUACIJSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087423232 770083235 /nfs/dbraw/zinc/08/32/35/770083235.db2.gz PVMGIYBHARXVGX-VAMGGRTRSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087423232 770083244 /nfs/dbraw/zinc/08/32/44/770083244.db2.gz PVMGIYBHARXVGX-VAMGGRTRSA-N 2 1 339.483 2.078 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087423232 770083257 /nfs/dbraw/zinc/08/32/57/770083257.db2.gz PVMGIYBHARXVGX-VAMGGRTRSA-N 2 1 339.483 2.078 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942718974 783049575 /nfs/dbraw/zinc/04/95/75/783049575.db2.gz FAFUXWWZMWPQRW-YLJYHZDGSA-N 2 1 341.499 2.254 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC001088212368 783063060 /nfs/dbraw/zinc/06/30/60/783063060.db2.gz GVVSCXBBSQOSQO-AEFFLSMTSA-N 2 1 327.472 2.328 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089683925 774308376 /nfs/dbraw/zinc/30/83/76/774308376.db2.gz KMUFXIQBSKIEMO-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089683925 774308384 /nfs/dbraw/zinc/30/83/84/774308384.db2.gz KMUFXIQBSKIEMO-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089683925 774308392 /nfs/dbraw/zinc/30/83/92/774308392.db2.gz KMUFXIQBSKIEMO-MSOLQXFVSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCC3CCCC3)C2)CC1 ZINC000980477349 774701012 /nfs/dbraw/zinc/70/10/12/774701012.db2.gz FBAJBKSWBXCIEV-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)CN1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997595569 790374054 /nfs/dbraw/zinc/37/40/54/790374054.db2.gz FIIMJHCJNITOTD-SQWLQELKSA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997595569 790374067 /nfs/dbraw/zinc/37/40/67/790374067.db2.gz FIIMJHCJNITOTD-SQWLQELKSA-N 2 1 327.900 2.296 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997595569 790374080 /nfs/dbraw/zinc/37/40/80/790374080.db2.gz FIIMJHCJNITOTD-SQWLQELKSA-N 2 1 327.900 2.296 20 30 EEEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001089828278 777216435 /nfs/dbraw/zinc/21/64/35/777216435.db2.gz RXKBCCUDPNNLJT-KNTRFNDTSA-N 2 1 348.450 2.058 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028139794 778367039 /nfs/dbraw/zinc/36/70/39/778367039.db2.gz UCWIGGHQPUKUDI-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028139794 778367042 /nfs/dbraw/zinc/36/70/42/778367042.db2.gz UCWIGGHQPUKUDI-HNNXBMFYSA-N 2 1 332.448 2.041 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982280104 779520225 /nfs/dbraw/zinc/52/02/25/779520225.db2.gz UOSJWQZCWOHXPK-LFGUQSLTSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982280104 779520230 /nfs/dbraw/zinc/52/02/30/779520230.db2.gz UOSJWQZCWOHXPK-LFGUQSLTSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982280104 779520236 /nfs/dbraw/zinc/52/02/36/779520236.db2.gz UOSJWQZCWOHXPK-LFGUQSLTSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4nccn43)C[C@@]2(C)C1 ZINC000982295962 779605366 /nfs/dbraw/zinc/60/53/66/779605366.db2.gz HPHGYXJFLAYKMH-ZYSHUDEJSA-N 2 1 328.460 2.117 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982295962 779605372 /nfs/dbraw/zinc/60/53/72/779605372.db2.gz HPHGYXJFLAYKMH-ZYSHUDEJSA-N 2 1 328.460 2.117 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982295962 779605377 /nfs/dbraw/zinc/60/53/77/779605377.db2.gz HPHGYXJFLAYKMH-ZYSHUDEJSA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982300910 779634452 /nfs/dbraw/zinc/63/44/52/779634452.db2.gz BWRATIXXERQOOO-RYQLBKOJSA-N 2 1 341.927 2.496 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982300910 779634460 /nfs/dbraw/zinc/63/44/60/779634460.db2.gz BWRATIXXERQOOO-RYQLBKOJSA-N 2 1 341.927 2.496 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982306203 779658663 /nfs/dbraw/zinc/65/86/63/779658663.db2.gz MXNJZYXBBWLZMH-OIISXLGYSA-N 2 1 327.900 2.250 20 30 EEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997726320 790885176 /nfs/dbraw/zinc/88/51/76/790885176.db2.gz QMRXNSYKCSUNPC-HKUYNNGSSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997725186 790899610 /nfs/dbraw/zinc/89/96/10/790899610.db2.gz CMOVZXGGRBWEPT-PKOBYXMFSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035200178 784040313 /nfs/dbraw/zinc/04/03/13/784040313.db2.gz ZOSSTURVIVHKGO-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035200178 784040315 /nfs/dbraw/zinc/04/03/15/784040315.db2.gz ZOSSTURVIVHKGO-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035200178 784040317 /nfs/dbraw/zinc/04/03/17/784040317.db2.gz ZOSSTURVIVHKGO-LJQANCHMSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CC2 ZINC001035220145 784096286 /nfs/dbraw/zinc/09/62/86/784096286.db2.gz LWLYRUZSHSADMS-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CC2 ZINC001035220145 784096293 /nfs/dbraw/zinc/09/62/93/784096293.db2.gz LWLYRUZSHSADMS-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035538353 784641156 /nfs/dbraw/zinc/64/11/56/784641156.db2.gz ZQBRILDRHIABDN-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035538353 784641162 /nfs/dbraw/zinc/64/11/62/784641162.db2.gz ZQBRILDRHIABDN-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035538353 784641167 /nfs/dbraw/zinc/64/11/67/784641167.db2.gz ZQBRILDRHIABDN-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170871685 784815676 /nfs/dbraw/zinc/81/56/76/784815676.db2.gz QUYYPBLVHRBYRM-OKZBNKHCSA-N 2 1 339.524 2.184 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135975659 784923683 /nfs/dbraw/zinc/92/36/83/784923683.db2.gz ADZPAARTEOJPJY-HOTGVXAUSA-N 2 1 330.476 2.273 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001203456156 788008475 /nfs/dbraw/zinc/00/84/75/788008475.db2.gz QFSHSFVNFGCMJT-UHFFFAOYSA-N 2 1 334.489 2.042 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000996905752 788133661 /nfs/dbraw/zinc/13/36/61/788133661.db2.gz SDQBPXNYLPUHBO-OAHLLOKOSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714692 805895380 /nfs/dbraw/zinc/89/53/80/805895380.db2.gz SPTUHGGUELUJKH-XDNAFOTISA-N 2 1 337.508 2.031 20 30 EEEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000997086741 788746085 /nfs/dbraw/zinc/74/60/85/788746085.db2.gz VEUGRXWVHQONHV-MJGOQNOKSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859177 788821170 /nfs/dbraw/zinc/82/11/70/788821170.db2.gz MLMNEAILRZFIGL-VNTMZGSJSA-N 2 1 345.531 2.301 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171120629 789040935 /nfs/dbraw/zinc/04/09/35/789040935.db2.gz OPSJDIGJNYBNKU-QZTJIDSGSA-N 2 1 339.524 2.328 20 30 EEEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000923354696 789434296 /nfs/dbraw/zinc/43/42/96/789434296.db2.gz UWQLQHHFIGJZIW-SFHVURJKSA-N 2 1 331.460 2.139 20 30 EEEDMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001147359946 791800763 /nfs/dbraw/zinc/80/07/63/791800763.db2.gz XQNYLNSWPFEALG-LJQANCHMSA-N 2 1 342.487 2.419 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998009346 791825928 /nfs/dbraw/zinc/82/59/28/791825928.db2.gz WNIAFQVDLVHSRI-RBUKOAKNSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC000998044350 791880863 /nfs/dbraw/zinc/88/08/63/791880863.db2.gz GQFGWHISBYSEJT-QZTJIDSGSA-N 2 1 342.487 2.172 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480979 792541505 /nfs/dbraw/zinc/54/15/05/792541505.db2.gz XRXOOTKGKIPHGN-NRFANRHFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001148611904 792559071 /nfs/dbraw/zinc/55/90/71/792559071.db2.gz RKPOVTVJBNMABH-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611904 792559079 /nfs/dbraw/zinc/55/90/79/792559079.db2.gz RKPOVTVJBNMABH-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611904 792559096 /nfs/dbraw/zinc/55/90/96/792559096.db2.gz RKPOVTVJBNMABH-IBGZPJMESA-N 2 1 339.483 2.237 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738334 792598980 /nfs/dbraw/zinc/59/89/80/792598980.db2.gz UPOOONCZAINMPH-GJYPPUQNSA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738334 792598986 /nfs/dbraw/zinc/59/89/86/792598986.db2.gz UPOOONCZAINMPH-GJYPPUQNSA-N 2 1 328.460 2.117 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137008 792871690 /nfs/dbraw/zinc/87/16/90/792871690.db2.gz LWHIWIXZNUXBEL-CMKODMSKSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137008 792871697 /nfs/dbraw/zinc/87/16/97/792871697.db2.gz LWHIWIXZNUXBEL-CMKODMSKSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137008 792871706 /nfs/dbraw/zinc/87/17/06/792871706.db2.gz LWHIWIXZNUXBEL-CMKODMSKSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137008 792871715 /nfs/dbraw/zinc/87/17/15/792871715.db2.gz LWHIWIXZNUXBEL-CMKODMSKSA-N 2 1 349.519 2.175 20 30 EEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952444 793085767 /nfs/dbraw/zinc/08/57/67/793085767.db2.gz IRKQFXAOVMJXNU-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992254405 793416617 /nfs/dbraw/zinc/41/66/17/793416617.db2.gz BARFMROYQQZKIX-APWZRJJASA-N 2 1 328.460 2.143 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992254405 793416623 /nfs/dbraw/zinc/41/66/23/793416623.db2.gz BARFMROYQQZKIX-APWZRJJASA-N 2 1 328.460 2.143 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071250 793534435 /nfs/dbraw/zinc/53/44/35/793534435.db2.gz NCPYYZNJYKKGJT-GGPKGHCWSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC000992352392 793770548 /nfs/dbraw/zinc/77/05/48/793770548.db2.gz OYNHGTAAIBTUME-MJGOQNOKSA-N 2 1 337.427 2.180 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC000992352392 793770556 /nfs/dbraw/zinc/77/05/56/793770556.db2.gz OYNHGTAAIBTUME-MJGOQNOKSA-N 2 1 337.427 2.180 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907651 794426692 /nfs/dbraw/zinc/42/66/92/794426692.db2.gz WEMZCXYDZULZAW-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907651 794426699 /nfs/dbraw/zinc/42/66/99/794426699.db2.gz WEMZCXYDZULZAW-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907651 794426705 /nfs/dbraw/zinc/42/67/05/794426705.db2.gz WEMZCXYDZULZAW-GGPKGHCWSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C[C@H](F)CC)CC3)CC1 ZINC000992502969 794429556 /nfs/dbraw/zinc/42/95/56/794429556.db2.gz CNMLBEYQDJJECG-HBFSDRIKSA-N 2 1 349.494 2.193 20 30 EEEDMP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001093360732 795086601 /nfs/dbraw/zinc/08/66/01/795086601.db2.gz FGPAKTWWYYMBLY-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093360732 795086608 /nfs/dbraw/zinc/08/66/08/795086608.db2.gz FGPAKTWWYYMBLY-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093360732 795086615 /nfs/dbraw/zinc/08/66/15/795086615.db2.gz FGPAKTWWYYMBLY-MOPGFXCFSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093360945 795087413 /nfs/dbraw/zinc/08/74/13/795087413.db2.gz GOGSGMIPSOMIPI-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001093360945 795087415 /nfs/dbraw/zinc/08/74/15/795087415.db2.gz GOGSGMIPSOMIPI-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001093360945 795087420 /nfs/dbraw/zinc/08/74/20/795087420.db2.gz GOGSGMIPSOMIPI-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3cnccc3N(C)C)CC[C@H]21 ZINC001036871652 795597252 /nfs/dbraw/zinc/59/72/52/795597252.db2.gz OGWUPXMVTOPSQS-GOEBONIOSA-N 2 1 348.878 2.437 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871652 795597258 /nfs/dbraw/zinc/59/72/58/795597258.db2.gz OGWUPXMVTOPSQS-GOEBONIOSA-N 2 1 348.878 2.437 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479873 795682921 /nfs/dbraw/zinc/68/29/21/795682921.db2.gz VPQZEZOGXYAZTG-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncn1C)C2 ZINC001110053611 806461370 /nfs/dbraw/zinc/46/13/70/806461370.db2.gz OELSAFCGKMHTMS-LMSBXDPUSA-N 2 1 330.476 2.429 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667397 796074537 /nfs/dbraw/zinc/07/45/37/796074537.db2.gz XXKIMIHVBJVKEP-BPQIPLTHSA-N 2 1 344.503 2.404 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@H]21 ZINC001036905708 796450392 /nfs/dbraw/zinc/45/03/92/796450392.db2.gz OBZBLDDDRAJNEB-FUHWJXTLSA-N 2 1 343.471 2.291 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2C)CC1 ZINC001080997834 796548096 /nfs/dbraw/zinc/54/80/96/796548096.db2.gz LRJOTFLAPIGRON-YLJYHZDGSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001099306720 797884264 /nfs/dbraw/zinc/88/42/64/797884264.db2.gz PRUJGYZCRXRVMC-ZIAGYGMSSA-N 2 1 347.425 2.273 20 30 EEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174929171 797919539 /nfs/dbraw/zinc/91/95/39/797919539.db2.gz OHVBQOGFZXNWBH-RDJZCZTQSA-N 2 1 330.476 2.042 20 30 EEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175295137 798051287 /nfs/dbraw/zinc/05/12/87/798051287.db2.gz BZWAOXDVINQGGY-IBGZPJMESA-N 2 1 343.515 2.449 20 30 EEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175297363 798052621 /nfs/dbraw/zinc/05/26/21/798052621.db2.gz VODURPOZJLGAIC-LJQANCHMSA-N 2 1 343.515 2.449 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084958122 798577759 /nfs/dbraw/zinc/57/77/59/798577759.db2.gz MIDNMGQUFRFGLP-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958122 798577763 /nfs/dbraw/zinc/57/77/63/798577763.db2.gz MIDNMGQUFRFGLP-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958122 798577766 /nfs/dbraw/zinc/57/77/66/798577766.db2.gz MIDNMGQUFRFGLP-RLLQIKCJSA-N 2 1 343.515 2.340 20 30 EEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001177466743 798951641 /nfs/dbraw/zinc/95/16/41/798951641.db2.gz DSHBMYDEYSPZRD-IBGZPJMESA-N 2 1 333.520 2.350 20 30 EEEDMP C=CCCC[NH+]1CCn2ncc(CNC(=O)C(C)(C)[N@@H+](C)CC)c2C1 ZINC001128396848 799202948 /nfs/dbraw/zinc/20/29/48/799202948.db2.gz JSOCLBBPEPUACG-UHFFFAOYSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCCC[NH+]1CCn2ncc(CNC(=O)C(C)(C)[N@H+](C)CC)c2C1 ZINC001128396848 799202955 /nfs/dbraw/zinc/20/29/55/799202955.db2.gz JSOCLBBPEPUACG-UHFFFAOYSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCCC[N@@H+]1CCn2ncc(CNC(=O)C(C)(C)[NH+](C)CC)c2C1 ZINC001128396848 799202960 /nfs/dbraw/zinc/20/29/60/799202960.db2.gz JSOCLBBPEPUACG-UHFFFAOYSA-N 2 1 347.507 2.011 20 30 EEEDMP C=CCCC[N@H+]1CCn2ncc(CNC(=O)C(C)(C)[NH+](C)CC)c2C1 ZINC001128396848 799202965 /nfs/dbraw/zinc/20/29/65/799202965.db2.gz JSOCLBBPEPUACG-UHFFFAOYSA-N 2 1 347.507 2.011 20 30 EEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001179725842 800072054 /nfs/dbraw/zinc/07/20/54/800072054.db2.gz VGDCCNMWJKOANI-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=C(Br)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001180259503 800336050 /nfs/dbraw/zinc/33/60/50/800336050.db2.gz ITPLBPMGGRULDD-AWEZNQCLSA-N 2 1 346.313 2.113 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1 ZINC001085422458 800480882 /nfs/dbraw/zinc/48/08/82/800480882.db2.gz UMIKFMBZMXUUOU-IPMKNSEASA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085646404 800965672 /nfs/dbraw/zinc/96/56/72/800965672.db2.gz ALMIYXCOUIMZQE-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085646404 800965677 /nfs/dbraw/zinc/96/56/77/800965677.db2.gz ALMIYXCOUIMZQE-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085646404 800965683 /nfs/dbraw/zinc/96/56/83/800965683.db2.gz ALMIYXCOUIMZQE-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085646404 800965684 /nfs/dbraw/zinc/96/56/84/800965684.db2.gz ALMIYXCOUIMZQE-ROUUACIJSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586358 801460920 /nfs/dbraw/zinc/46/09/20/801460920.db2.gz DYZOGRULPUTQCE-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586358 801460926 /nfs/dbraw/zinc/46/09/26/801460926.db2.gz DYZOGRULPUTQCE-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586358 801460931 /nfs/dbraw/zinc/46/09/31/801460931.db2.gz DYZOGRULPUTQCE-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165120 801511593 /nfs/dbraw/zinc/51/15/93/801511593.db2.gz NXVVVIMKGXWWCW-UKPHBRMFSA-N 2 1 327.900 2.155 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001184822749 802210762 /nfs/dbraw/zinc/21/07/62/802210762.db2.gz VVDQHKVKZUWCPZ-SJORKVTESA-N 2 1 344.503 2.412 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185137167 802344805 /nfs/dbraw/zinc/34/48/05/802344805.db2.gz RYTJAKWEUJWXQQ-QZTJIDSGSA-N 2 1 339.524 2.257 20 30 EEEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185137167 802344814 /nfs/dbraw/zinc/34/48/14/802344814.db2.gz RYTJAKWEUJWXQQ-QZTJIDSGSA-N 2 1 339.524 2.257 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001086221521 802530565 /nfs/dbraw/zinc/53/05/65/802530565.db2.gz XKQFSLWSTLCDDT-QXSJWSMHSA-N 2 1 325.884 2.240 20 30 EEEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001108279988 803066646 /nfs/dbraw/zinc/06/66/46/803066646.db2.gz LMYBEZWFOPMESU-IBGZPJMESA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001108279988 803066656 /nfs/dbraw/zinc/06/66/56/803066656.db2.gz LMYBEZWFOPMESU-IBGZPJMESA-N 2 1 348.491 2.145 20 30 EEEDMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001033199403 803066828 /nfs/dbraw/zinc/06/68/28/803066828.db2.gz SLBOXOCMHYPYHU-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP CN(C(=O)[C@H]1CCCCN1C)[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001033199403 803066833 /nfs/dbraw/zinc/06/68/33/803066833.db2.gz SLBOXOCMHYPYHU-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086587752 808780760 /nfs/dbraw/zinc/78/07/60/808780760.db2.gz LXMRBQNSJANGOD-XUVXKRRUSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086587752 808780762 /nfs/dbraw/zinc/78/07/62/808780762.db2.gz LXMRBQNSJANGOD-XUVXKRRUSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001086587752 808780765 /nfs/dbraw/zinc/78/07/65/808780765.db2.gz LXMRBQNSJANGOD-XUVXKRRUSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001086587752 808780768 /nfs/dbraw/zinc/78/07/68/808780768.db2.gz LXMRBQNSJANGOD-XUVXKRRUSA-N 2 1 339.483 2.077 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086588916 808829184 /nfs/dbraw/zinc/82/91/84/808829184.db2.gz WICREUPLDSKWAW-SLFFLAALSA-N 2 1 339.483 2.098 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001129416685 810830608 /nfs/dbraw/zinc/83/06/08/810830608.db2.gz ILGADUJRUMQMFR-GOSISDBHSA-N 2 1 328.460 2.027 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086623848 810930345 /nfs/dbraw/zinc/93/03/45/810930345.db2.gz AIEDMWHIVNSIQR-RBUKOAKNSA-N 2 1 338.455 2.352 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086623848 810930350 /nfs/dbraw/zinc/93/03/50/810930350.db2.gz AIEDMWHIVNSIQR-RBUKOAKNSA-N 2 1 338.455 2.352 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NC2(C[NH2+]Cc3ccccc3C#N)CCCC2)C1 ZINC001444089847 1098619651 /nfs/dbraw/zinc/61/96/51/1098619651.db2.gz PUANAQADYKRSJF-SFHVURJKSA-N 2 1 340.471 2.029 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001446567993 1101053231 /nfs/dbraw/zinc/05/32/31/1101053231.db2.gz XPGKJWUGJGEZRB-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001446567993 1101053238 /nfs/dbraw/zinc/05/32/38/1101053238.db2.gz XPGKJWUGJGEZRB-LJQANCHMSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001503003415 1113870728 /nfs/dbraw/zinc/87/07/28/1113870728.db2.gz RCDQXXRVKWQBMO-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001503003415 1113870730 /nfs/dbraw/zinc/87/07/30/1113870730.db2.gz RCDQXXRVKWQBMO-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001503003415 1113870732 /nfs/dbraw/zinc/87/07/32/1113870732.db2.gz RCDQXXRVKWQBMO-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001507292618 1115177197 /nfs/dbraw/zinc/17/71/97/1115177197.db2.gz LCWUYMGLNUGLSN-KBXCAEBGSA-N 2 1 346.450 2.118 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087705169 782100699 /nfs/dbraw/zinc/10/06/99/782100699.db2.gz ZXPKGWFAOVQZAW-BPQIPLTHSA-N 2 1 330.476 2.299 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087705169 782100704 /nfs/dbraw/zinc/10/07/04/782100704.db2.gz ZXPKGWFAOVQZAW-BPQIPLTHSA-N 2 1 330.476 2.299 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000119062149 462871198 /nfs/dbraw/zinc/87/11/98/462871198.db2.gz PWOBMEZRKMXGNM-KRWDZBQOSA-N 2 1 329.444 2.363 20 30 EEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000119062149 462871202 /nfs/dbraw/zinc/87/12/02/462871202.db2.gz PWOBMEZRKMXGNM-KRWDZBQOSA-N 2 1 329.444 2.363 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000081355669 463423885 /nfs/dbraw/zinc/42/38/85/463423885.db2.gz ISKFYVQDKYNRMR-IBGZPJMESA-N 2 1 342.487 2.203 20 30 EEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000081355669 463423890 /nfs/dbraw/zinc/42/38/90/463423890.db2.gz ISKFYVQDKYNRMR-IBGZPJMESA-N 2 1 342.487 2.203 20 30 EEEDMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000105476387 463454341 /nfs/dbraw/zinc/45/43/41/463454341.db2.gz UIFSKGCPDWENFK-UHFFFAOYSA-N 2 1 344.503 2.486 20 30 EEEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000293112916 464387389 /nfs/dbraw/zinc/38/73/89/464387389.db2.gz YPKCNKOBCIUTBR-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000293112916 464387398 /nfs/dbraw/zinc/38/73/98/464387398.db2.gz YPKCNKOBCIUTBR-IBGZPJMESA-N 2 1 326.444 2.305 20 30 EEEDMP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000180997997 464432406 /nfs/dbraw/zinc/43/24/06/464432406.db2.gz SZKFOCFTADNFQJ-QGZVFWFLSA-N 2 1 327.453 2.476 20 30 EEEDMP CN(CCC#N)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000264798277 464469440 /nfs/dbraw/zinc/46/94/40/464469440.db2.gz ZCUJHLZHGSXMON-FQEVSTJZSA-N 2 1 344.503 2.363 20 30 EEEDMP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000367263162 466226160 /nfs/dbraw/zinc/22/61/60/466226160.db2.gz TXNBGDJFCVTUOH-LJQANCHMSA-N 2 1 342.487 2.167 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424147772 466990519 /nfs/dbraw/zinc/99/05/19/466990519.db2.gz SEROXRMZAVPQEB-BPQIPLTHSA-N 2 1 328.460 2.034 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000392912829 467429130 /nfs/dbraw/zinc/42/91/30/467429130.db2.gz ZQWHLUQEDDBBMW-CYBMUJFWSA-N 2 1 345.270 2.278 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000392912829 467429134 /nfs/dbraw/zinc/42/91/34/467429134.db2.gz ZQWHLUQEDDBBMW-CYBMUJFWSA-N 2 1 345.270 2.278 20 30 EEEDMP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000414784531 467436064 /nfs/dbraw/zinc/43/60/64/467436064.db2.gz IKVROHYAGBFCTO-QGZVFWFLSA-N 2 1 346.471 2.447 20 30 EEEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000609133597 469894808 /nfs/dbraw/zinc/89/48/08/469894808.db2.gz YUPBQBWQYYPVNP-UHFFFAOYSA-N 2 1 334.508 2.381 20 30 EEEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000609133597 469894812 /nfs/dbraw/zinc/89/48/12/469894812.db2.gz YUPBQBWQYYPVNP-UHFFFAOYSA-N 2 1 334.508 2.381 20 30 EEEDMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001020591755 675224811 /nfs/dbraw/zinc/22/48/11/675224811.db2.gz UUNITWIXYZWODL-HDJSIYSDSA-N 2 1 346.500 2.088 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001021638400 676294050 /nfs/dbraw/zinc/29/40/50/676294050.db2.gz DSRGNSMAPGURHC-QUCCMNQESA-N 2 1 348.450 2.432 20 30 EEEDMP N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001022691886 678237524 /nfs/dbraw/zinc/23/75/24/678237524.db2.gz BHWIQYKRUAQHOB-IXDOHACOSA-N 2 1 349.438 2.138 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001023130550 679137639 /nfs/dbraw/zinc/13/76/39/679137639.db2.gz UDOCMYNRBFHKKW-CEXWTWQISA-N 2 1 340.471 2.169 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411676 679296025 /nfs/dbraw/zinc/29/60/25/679296025.db2.gz IGXMJDAPRNUAHH-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001023411676 679296027 /nfs/dbraw/zinc/29/60/27/679296027.db2.gz IGXMJDAPRNUAHH-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001023411676 679296028 /nfs/dbraw/zinc/29/60/28/679296028.db2.gz IGXMJDAPRNUAHH-IEBWSBKVSA-N 2 1 349.519 2.034 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC000984800136 685275326 /nfs/dbraw/zinc/27/53/26/685275326.db2.gz OMTBDDPDSSOVAW-GPMSIDNRSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001028600685 681346190 /nfs/dbraw/zinc/34/61/90/681346190.db2.gz BVSRDJMTVJSCPH-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001028600685 681346192 /nfs/dbraw/zinc/34/61/92/681346192.db2.gz BVSRDJMTVJSCPH-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028600685 681346196 /nfs/dbraw/zinc/34/61/96/681346196.db2.gz BVSRDJMTVJSCPH-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028600685 681346199 /nfs/dbraw/zinc/34/61/99/681346199.db2.gz BVSRDJMTVJSCPH-UXHICEINSA-N 2 1 345.531 2.493 20 30 EEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCS[C@H](C(C)C)C1 ZINC000261803926 681460846 /nfs/dbraw/zinc/46/08/46/681460846.db2.gz RSGKONNFAGMEMR-GOEBONIOSA-N 2 1 344.594 2.073 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982553743 681635230 /nfs/dbraw/zinc/63/52/30/681635230.db2.gz PWKREDKJUICCJE-BGYRXZFFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982553743 681635232 /nfs/dbraw/zinc/63/52/32/681635232.db2.gz PWKREDKJUICCJE-BGYRXZFFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982553743 681635234 /nfs/dbraw/zinc/63/52/34/681635234.db2.gz PWKREDKJUICCJE-BGYRXZFFSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001024987825 681674141 /nfs/dbraw/zinc/67/41/41/681674141.db2.gz WDSWWCAFHXRDNA-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001024987825 681674144 /nfs/dbraw/zinc/67/41/44/681674144.db2.gz WDSWWCAFHXRDNA-OALUTQOASA-N 2 1 331.504 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273406 682379507 /nfs/dbraw/zinc/37/95/07/682379507.db2.gz DYUPRGZHADYHDD-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281331 682390993 /nfs/dbraw/zinc/39/09/93/682390993.db2.gz TWMBQZAZIREISY-MOPGFXCFSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460757 682824127 /nfs/dbraw/zinc/82/41/27/682824127.db2.gz MCVVJIQAINWGQZ-GJZGRUSLSA-N 2 1 334.464 2.143 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460757 682824132 /nfs/dbraw/zinc/82/41/32/682824132.db2.gz MCVVJIQAINWGQZ-GJZGRUSLSA-N 2 1 334.464 2.143 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590771 683051472 /nfs/dbraw/zinc/05/14/72/683051472.db2.gz RMPXSRWIMPAWPW-FXAWDEMLSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC000992752436 683383770 /nfs/dbraw/zinc/38/37/70/683383770.db2.gz SAMZRSDGAJMYCH-GVDBMIGSSA-N 2 1 342.487 2.165 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC000992820183 683533993 /nfs/dbraw/zinc/53/39/93/683533993.db2.gz HQHIGEUOPSRRJE-FGTMMUONSA-N 2 1 342.487 2.247 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]12 ZINC001026315698 684242148 /nfs/dbraw/zinc/24/21/48/684242148.db2.gz RZMAETRKAUXDOY-IXDOHACOSA-N 2 1 342.487 2.165 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001026368341 684462559 /nfs/dbraw/zinc/46/25/59/684462559.db2.gz OEZZBCTZFDFDGS-GVDBMIGSSA-N 2 1 330.476 2.409 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001026548169 684731819 /nfs/dbraw/zinc/73/18/19/684731819.db2.gz RGEQRULUDLABTB-FXQLRMTLSA-N 2 1 327.900 2.486 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974665707 685191864 /nfs/dbraw/zinc/19/18/64/685191864.db2.gz SKDASQZJIHHAFW-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000974665707 685191870 /nfs/dbraw/zinc/19/18/70/685191870.db2.gz SKDASQZJIHHAFW-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C(C)(C)C1 ZINC000974665707 685191874 /nfs/dbraw/zinc/19/18/74/685191874.db2.gz SKDASQZJIHHAFW-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975033662 686084323 /nfs/dbraw/zinc/08/43/23/686084323.db2.gz FVDZCSUKFIEVDB-DOTOQJQBSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975033662 686084329 /nfs/dbraw/zinc/08/43/29/686084329.db2.gz FVDZCSUKFIEVDB-DOTOQJQBSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001089880101 1192633555 /nfs/dbraw/zinc/63/35/55/1192633555.db2.gz HXUWSYJICGMCOZ-VJANTYMQSA-N 2 1 331.504 2.073 20 30 EEEDMP C[NH+](C)CC1(C(=O)NCC[N@H+](Cc2ccc(C#N)s2)C2CC2)CC1 ZINC001481183215 1180021843 /nfs/dbraw/zinc/02/18/43/1180021843.db2.gz SPANYHVYOMBVQB-UHFFFAOYSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+](C)CC1(C(=O)NCC[N@@H+](Cc2ccc(C#N)s2)C2CC2)CC1 ZINC001481183215 1180021847 /nfs/dbraw/zinc/02/18/47/1180021847.db2.gz SPANYHVYOMBVQB-UHFFFAOYSA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(Br)C[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCCC1 ZINC001482234080 1184427667 /nfs/dbraw/zinc/42/76/67/1184427667.db2.gz OKCTYQAKUIMHMV-UHFFFAOYSA-N 2 1 346.313 2.255 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088620604 1187961136 /nfs/dbraw/zinc/96/11/36/1187961136.db2.gz SMZLPDPKOSBDDC-NZSAHSFTSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C ZINC001088620604 1187961139 /nfs/dbraw/zinc/96/11/39/1187961139.db2.gz SMZLPDPKOSBDDC-NZSAHSFTSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H]1C ZINC001088620604 1187961142 /nfs/dbraw/zinc/96/11/42/1187961142.db2.gz SMZLPDPKOSBDDC-NZSAHSFTSA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418098 1194541337 /nfs/dbraw/zinc/54/13/37/1194541337.db2.gz ZRMPILLEUAXXRF-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418098 1194541338 /nfs/dbraw/zinc/54/13/38/1194541338.db2.gz ZRMPILLEUAXXRF-IRXDYDNUSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001033423690 1194560101 /nfs/dbraw/zinc/56/01/01/1194560101.db2.gz UHQLKRATGPUDBI-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033423690 1194560103 /nfs/dbraw/zinc/56/01/03/1194560103.db2.gz UHQLKRATGPUDBI-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033423690 1194560106 /nfs/dbraw/zinc/56/01/06/1194560106.db2.gz UHQLKRATGPUDBI-MRXNPFEDSA-N 2 1 346.475 2.383 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001033687448 1195071252 /nfs/dbraw/zinc/07/12/52/1195071252.db2.gz GORPWALTDNEYBX-HXUWFJFHSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001034539262 1196363407 /nfs/dbraw/zinc/36/34/07/1196363407.db2.gz ZVHPKYHEIVUDGB-AEFFLSMTSA-N 2 1 337.483 2.050 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001034539263 1196363645 /nfs/dbraw/zinc/36/36/45/1196363645.db2.gz ZVHPKYHEIVUDGB-FUHWJXTLSA-N 2 1 337.483 2.050 20 30 EEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133141137 1200494201 /nfs/dbraw/zinc/49/42/01/1200494201.db2.gz AOKYGRXSYHKTHW-DLBZAZTESA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133142274 1200495404 /nfs/dbraw/zinc/49/54/04/1200495404.db2.gz NDGHJPMXLIONJQ-IRXDYDNUSA-N 2 1 330.476 2.104 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133360858 1200781806 /nfs/dbraw/zinc/78/18/06/1200781806.db2.gz QFXBALFLBXDEPT-MJGOQNOKSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001133360858 1200781811 /nfs/dbraw/zinc/78/18/11/1200781811.db2.gz QFXBALFLBXDEPT-MJGOQNOKSA-N 2 1 329.488 2.379 20 30 EEEDMP COCC[NH+]1CCC2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001274981733 1205224619 /nfs/dbraw/zinc/22/46/19/1205224619.db2.gz UHCBZLVOCOPXKC-UHFFFAOYSA-N 2 1 330.476 2.221 20 30 EEEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001275290255 1205299318 /nfs/dbraw/zinc/29/93/18/1205299318.db2.gz BZXRCEZFNPBFBH-HXUWFJFHSA-N 2 1 326.488 2.408 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cnco4)C[C@H]3CC2)cc1C#N ZINC001276161812 1205806975 /nfs/dbraw/zinc/80/69/75/1205806975.db2.gz UBPRMRPULMXQBC-CALCHBBNSA-N 2 1 339.443 2.229 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cnco4)C[C@H]3CC2)cc1C#N ZINC001276161812 1205806976 /nfs/dbraw/zinc/80/69/76/1205806976.db2.gz UBPRMRPULMXQBC-CALCHBBNSA-N 2 1 339.443 2.229 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4cnco4)C[C@H]3CC2)cc1C#N ZINC001276161812 1205806977 /nfs/dbraw/zinc/80/69/77/1205806977.db2.gz UBPRMRPULMXQBC-CALCHBBNSA-N 2 1 339.443 2.229 20 30 EEEDMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)[NH+](C)C ZINC001111035753 1207634211 /nfs/dbraw/zinc/63/42/11/1207634211.db2.gz LMUFXGVVFDCKNE-ZRNYENFQSA-N 2 1 339.483 2.100 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947555017 1208618821 /nfs/dbraw/zinc/61/88/21/1208618821.db2.gz HMZYHXRZHLNGQK-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947555017 1208618822 /nfs/dbraw/zinc/61/88/22/1208618822.db2.gz HMZYHXRZHLNGQK-CVEARBPZSA-N 2 1 330.476 2.307 20 30 EEEDMP CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000948954978 1209472618 /nfs/dbraw/zinc/47/26/18/1209472618.db2.gz RIKGBWBMXVCZNA-HXUWFJFHSA-N 2 1 339.483 2.067 20 30 EEEDMP CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000948954978 1209472619 /nfs/dbraw/zinc/47/26/19/1209472619.db2.gz RIKGBWBMXVCZNA-HXUWFJFHSA-N 2 1 339.483 2.067 20 30 EEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960270749 1216462156 /nfs/dbraw/zinc/46/21/56/1216462156.db2.gz JGCHFDZTNWJULD-ZIFCJYIRSA-N 2 1 336.439 2.318 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961197840 1217083560 /nfs/dbraw/zinc/08/35/60/1217083560.db2.gz HANPASOXNWMOEV-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000961375841 1217163846 /nfs/dbraw/zinc/16/38/46/1217163846.db2.gz XOFYUMOCKROENR-VQTJNVASSA-N 2 1 345.531 2.465 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961412663 1217180317 /nfs/dbraw/zinc/18/03/17/1217180317.db2.gz UIJAMMPUWYUOHZ-ICSRJNTNSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000961940252 1217413280 /nfs/dbraw/zinc/41/32/80/1217413280.db2.gz MBKCPADZHPCICM-KVZIAJEVSA-N 2 1 343.515 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000961940252 1217413284 /nfs/dbraw/zinc/41/32/84/1217413284.db2.gz MBKCPADZHPCICM-KVZIAJEVSA-N 2 1 343.515 2.149 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338899 1217532942 /nfs/dbraw/zinc/53/29/42/1217532942.db2.gz ZVPMPWMYMRRFRD-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338899 1217532946 /nfs/dbraw/zinc/53/29/46/1217532946.db2.gz ZVPMPWMYMRRFRD-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338896 1217533695 /nfs/dbraw/zinc/53/36/95/1217533695.db2.gz ZVPMPWMYMRRFRD-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338896 1217533699 /nfs/dbraw/zinc/53/36/99/1217533699.db2.gz ZVPMPWMYMRRFRD-MSOLQXFVSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390961 1217587824 /nfs/dbraw/zinc/58/78/24/1217587824.db2.gz PLGCKMJFWOXXKF-FUHWJXTLSA-N 2 1 340.471 2.097 20 30 EEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000965816824 1219264173 /nfs/dbraw/zinc/26/41/73/1219264173.db2.gz UTBWBOFBIHCWLM-WZXTXQKWSA-N 2 1 331.504 2.291 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000968850746 1221621381 /nfs/dbraw/zinc/62/13/81/1221621381.db2.gz HICFFVCCYWNTAV-RHSMWYFYSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000968861228 1221629624 /nfs/dbraw/zinc/62/96/24/1221629624.db2.gz KEUOVWPNEHISKH-YJBOKZPZSA-N 2 1 345.491 2.337 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC000968888769 1221647982 /nfs/dbraw/zinc/64/79/82/1221647982.db2.gz ZJUCCSLZDZVYDJ-IAGOWNOFSA-N 2 1 328.460 2.145 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888769 1221647987 /nfs/dbraw/zinc/64/79/87/1221647987.db2.gz ZJUCCSLZDZVYDJ-IAGOWNOFSA-N 2 1 328.460 2.145 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888769 1221647988 /nfs/dbraw/zinc/64/79/88/1221647988.db2.gz ZJUCCSLZDZVYDJ-IAGOWNOFSA-N 2 1 328.460 2.145 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969108599 1221815089 /nfs/dbraw/zinc/81/50/89/1221815089.db2.gz GJTYBCNZINRYIO-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200900 1223173876 /nfs/dbraw/zinc/17/38/76/1223173876.db2.gz ILSTVONOXHTIMN-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200900 1223173878 /nfs/dbraw/zinc/17/38/78/1223173878.db2.gz ILSTVONOXHTIMN-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200900 1223173880 /nfs/dbraw/zinc/17/38/80/1223173880.db2.gz ILSTVONOXHTIMN-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001009200900 1223173881 /nfs/dbraw/zinc/17/38/81/1223173881.db2.gz ILSTVONOXHTIMN-HUUCEWRRSA-N 2 1 346.500 2.042 20 30 EEEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001016336631 1226360343 /nfs/dbraw/zinc/36/03/43/1226360343.db2.gz CVQORDKKBYTXIA-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001016336631 1226360349 /nfs/dbraw/zinc/36/03/49/1226360349.db2.gz CVQORDKKBYTXIA-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001016336631 1226360355 /nfs/dbraw/zinc/36/03/55/1226360355.db2.gz CVQORDKKBYTXIA-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001016336631 1226360358 /nfs/dbraw/zinc/36/03/58/1226360358.db2.gz CVQORDKKBYTXIA-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001016338047 1226362045 /nfs/dbraw/zinc/36/20/45/1226362045.db2.gz VSKJTXFEGGLBHI-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001016818415 1226902313 /nfs/dbraw/zinc/90/23/13/1226902313.db2.gz DKQKHJUWKLJYFP-UZLBHIALSA-N 2 1 349.494 2.193 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001018837417 1228444978 /nfs/dbraw/zinc/44/49/78/1228444978.db2.gz MDQOPUBBUVDZRX-OALUTQOASA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039132588 1230341920 /nfs/dbraw/zinc/34/19/20/1230341920.db2.gz AJZZPMQXBKYSBU-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039132588 1230341926 /nfs/dbraw/zinc/34/19/26/1230341926.db2.gz AJZZPMQXBKYSBU-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039132588 1230341930 /nfs/dbraw/zinc/34/19/30/1230341930.db2.gz AJZZPMQXBKYSBU-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039134190 1230345202 /nfs/dbraw/zinc/34/52/02/1230345202.db2.gz XSLYDPBDCSRZLW-NZSAHSFTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039134190 1230345204 /nfs/dbraw/zinc/34/52/04/1230345204.db2.gz XSLYDPBDCSRZLW-NZSAHSFTSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039134190 1230345208 /nfs/dbraw/zinc/34/52/08/1230345208.db2.gz XSLYDPBDCSRZLW-NZSAHSFTSA-N 2 1 333.520 2.463 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205126 1230431729 /nfs/dbraw/zinc/43/17/29/1230431729.db2.gz KUINWGLNBOPNKE-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205126 1230431732 /nfs/dbraw/zinc/43/17/32/1230431732.db2.gz KUINWGLNBOPNKE-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205126 1230431734 /nfs/dbraw/zinc/43/17/34/1230431734.db2.gz KUINWGLNBOPNKE-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233467 1230466553 /nfs/dbraw/zinc/46/65/53/1230466553.db2.gz BPLZBQQKULHYRJ-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542364 1231283286 /nfs/dbraw/zinc/28/32/86/1231283286.db2.gz HHJLWDGNOYDTFU-FQEVSTJZSA-N 2 1 331.504 2.200 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001040882227 1231394925 /nfs/dbraw/zinc/39/49/25/1231394925.db2.gz AWSJADISDZFFDR-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001041679865 1231647896 /nfs/dbraw/zinc/64/78/96/1231647896.db2.gz PHQSUWGUVLIYMM-DOTOQJQBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041679865 1231647898 /nfs/dbraw/zinc/64/78/98/1231647898.db2.gz PHQSUWGUVLIYMM-DOTOQJQBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041679865 1231647900 /nfs/dbraw/zinc/64/79/00/1231647900.db2.gz PHQSUWGUVLIYMM-DOTOQJQBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041679865 1231647901 /nfs/dbraw/zinc/64/79/01/1231647901.db2.gz PHQSUWGUVLIYMM-DOTOQJQBSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001045673627 1233899259 /nfs/dbraw/zinc/89/92/59/1233899259.db2.gz VTZRCYNPYYGQQA-ZWKOTPCHSA-N 2 1 349.519 2.034 20 30 EEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000900246663 1234119577 /nfs/dbraw/zinc/11/95/77/1234119577.db2.gz RYTHYMJZISSXFZ-GOSISDBHSA-N 2 1 342.487 2.321 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001046849220 1235246300 /nfs/dbraw/zinc/24/63/00/1235246300.db2.gz CPSLPQSUPQWHLF-FQEVSTJZSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046980433 1235386835 /nfs/dbraw/zinc/38/68/35/1235386835.db2.gz MQBODPDYKYSLLW-KRWDZBQOSA-N 2 1 349.425 2.068 20 30 EEEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046980433 1235386838 /nfs/dbraw/zinc/38/68/38/1235386838.db2.gz MQBODPDYKYSLLW-KRWDZBQOSA-N 2 1 349.425 2.068 20 30 EEEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047242871 1235731147 /nfs/dbraw/zinc/73/11/47/1235731147.db2.gz HQJRZNUDIHRQOE-WOJBJXKFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001048531373 1237885615 /nfs/dbraw/zinc/88/56/15/1237885615.db2.gz MFVWQAHZKUBWEO-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048531373 1237885621 /nfs/dbraw/zinc/88/56/21/1237885621.db2.gz MFVWQAHZKUBWEO-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048531373 1237885633 /nfs/dbraw/zinc/88/56/33/1237885633.db2.gz MFVWQAHZKUBWEO-RDGPPVDQSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=C)C ZINC001049528859 1241261393 /nfs/dbraw/zinc/26/13/93/1241261393.db2.gz IRAIMMAGQKAHRE-FHWLQOOXSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=C)C ZINC001049528859 1241261405 /nfs/dbraw/zinc/26/14/05/1241261405.db2.gz IRAIMMAGQKAHRE-FHWLQOOXSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=C)C ZINC001049528859 1241261416 /nfs/dbraw/zinc/26/14/16/1241261416.db2.gz IRAIMMAGQKAHRE-FHWLQOOXSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=C)C ZINC001049528859 1241261435 /nfs/dbraw/zinc/26/14/35/1241261435.db2.gz IRAIMMAGQKAHRE-FHWLQOOXSA-N 2 1 329.488 2.116 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049768370 1242137128 /nfs/dbraw/zinc/13/71/28/1242137128.db2.gz VYGBVQXXLKKPJP-IPMKNSEASA-N 2 1 331.504 2.340 20 30 EEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001001477133 1242345984 /nfs/dbraw/zinc/34/59/84/1242345984.db2.gz PATGNPFFXUYJOB-IBGZPJMESA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCCC)CC1 ZINC001049909735 1242656218 /nfs/dbraw/zinc/65/62/18/1242656218.db2.gz CBUVCYCDGOXLJQ-RBUKOAKNSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001050157379 1243004375 /nfs/dbraw/zinc/00/43/75/1243004375.db2.gz CMNXMSZVGDZMLS-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001050157379 1243004384 /nfs/dbraw/zinc/00/43/84/1243004384.db2.gz CMNXMSZVGDZMLS-ZWKOTPCHSA-N 2 1 342.487 2.343 20 30 EEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)CC1 ZINC001050662812 1244072210 /nfs/dbraw/zinc/07/22/10/1244072210.db2.gz BZTKOROXHXLLGX-KRWDZBQOSA-N 2 1 342.487 2.254 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171597 1247597615 /nfs/dbraw/zinc/59/76/15/1247597615.db2.gz VAOGBCDSHZUKGM-CTNGQTDRSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC001054245024 1247862459 /nfs/dbraw/zinc/86/24/59/1247862459.db2.gz MYFSDEWLJCLTAU-OAQYLSRUSA-N 2 1 343.515 2.056 20 30 EEEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001099530018 1258193423 /nfs/dbraw/zinc/19/34/23/1258193423.db2.gz ZCTVICCXCXQYNY-VJANTYMQSA-N 2 1 345.531 2.156 20 30 EEEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001099530018 1258193428 /nfs/dbraw/zinc/19/34/28/1258193428.db2.gz ZCTVICCXCXQYNY-VJANTYMQSA-N 2 1 345.531 2.156 20 30 EEEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001099530018 1258193431 /nfs/dbraw/zinc/19/34/31/1258193431.db2.gz ZCTVICCXCXQYNY-VJANTYMQSA-N 2 1 345.531 2.156 20 30 EEEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC2(CCOCC2)C1 ZINC001099598723 1258247629 /nfs/dbraw/zinc/24/76/29/1258247629.db2.gz KYHCTQYYJSZJJS-SFHVURJKSA-N 2 1 349.519 2.036 20 30 EEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185780270 1278779890 /nfs/dbraw/zinc/77/98/90/1278779890.db2.gz UWWWWGVBFGLPND-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001185780270 1278779900 /nfs/dbraw/zinc/77/99/00/1278779900.db2.gz UWWWWGVBFGLPND-IEBWSBKVSA-N 2 1 329.488 2.379 20 30 EEEDMP C[NH+](C)CCCOc1ccc(C[NH+]2CC3(CN(CCC#N)C3)C2)cc1 ZINC001277938822 1305200151 /nfs/dbraw/zinc/20/01/51/1305200151.db2.gz FZGPLTPCIJDTRG-UHFFFAOYSA-N 2 1 342.487 2.048 20 30 EEEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001201385847 1289548672 /nfs/dbraw/zinc/54/86/72/1289548672.db2.gz JQULMTOIYOGRMC-CQSZACIVSA-N 2 1 334.464 2.285 20 30 EEEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201931542 1289804093 /nfs/dbraw/zinc/80/40/93/1289804093.db2.gz LZTAMGPLHKXHCI-GOSISDBHSA-N 2 1 339.524 2.282 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702451 1294757279 /nfs/dbraw/zinc/75/72/79/1294757279.db2.gz ZTJFOSWCDLEDAA-HKUYNNGSSA-N 2 1 341.499 2.397 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001214673451 1296552326 /nfs/dbraw/zinc/55/23/26/1296552326.db2.gz DVAGUDARZCHIID-OLMNPRSZSA-N 2 1 345.491 2.193 20 30 EEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001214673451 1296552336 /nfs/dbraw/zinc/55/23/36/1296552336.db2.gz DVAGUDARZCHIID-OLMNPRSZSA-N 2 1 345.491 2.193 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001215001692 1296687544 /nfs/dbraw/zinc/68/75/44/1296687544.db2.gz ORGMPNQQBQOYED-CZUORRHYSA-N 2 1 348.516 2.287 20 30 EEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)[C@H](C)C1 ZINC000927166246 1297045721 /nfs/dbraw/zinc/04/57/21/1297045721.db2.gz UTXLVGIWHMEZIJ-AEFFLSMTSA-N 2 1 345.491 2.092 20 30 EEEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)cc2)c1 ZINC001222497404 1299633645 /nfs/dbraw/zinc/63/36/45/1299633645.db2.gz HXODJLDCHTZEPD-FPOVZHCZSA-N 2 1 347.466 2.146 20 30 EEEDMP N#Cc1ccnc(-c2ccc(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)cc2)c1 ZINC001222497404 1299633651 /nfs/dbraw/zinc/63/36/51/1299633651.db2.gz HXODJLDCHTZEPD-FPOVZHCZSA-N 2 1 347.466 2.146 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)C[C@@H]21 ZINC001223522616 1300164073 /nfs/dbraw/zinc/16/40/73/1300164073.db2.gz UXZBCQKWSHFNHA-UXHICEINSA-N 2 1 341.499 2.270 20 30 EEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)C[C@@H]21 ZINC001223522616 1300164076 /nfs/dbraw/zinc/16/40/76/1300164076.db2.gz UXZBCQKWSHFNHA-UXHICEINSA-N 2 1 341.499 2.270 20 30 EEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)C[C@@H]21 ZINC001223522616 1300164079 /nfs/dbraw/zinc/16/40/79/1300164079.db2.gz UXZBCQKWSHFNHA-UXHICEINSA-N 2 1 341.499 2.270 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)C[C@@H]21 ZINC001223522616 1300164082 /nfs/dbraw/zinc/16/40/82/1300164082.db2.gz UXZBCQKWSHFNHA-UXHICEINSA-N 2 1 341.499 2.270 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC/C=C/CC)C[C@H]1C ZINC001102056274 1300212749 /nfs/dbraw/zinc/21/27/49/1300212749.db2.gz ZILZICWEBPYCAH-IWOQZAADSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001102056274 1300212754 /nfs/dbraw/zinc/21/27/54/1300212754.db2.gz ZILZICWEBPYCAH-IWOQZAADSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC/C=C/CC)C[C@H]1C ZINC001102056274 1300212762 /nfs/dbraw/zinc/21/27/62/1300212762.db2.gz ZILZICWEBPYCAH-IWOQZAADSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC/C=C/CC)C[C@H]1C ZINC001102056274 1300212768 /nfs/dbraw/zinc/21/27/68/1300212768.db2.gz ZILZICWEBPYCAH-IWOQZAADSA-N 2 1 331.504 2.124 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001225087618 1300883469 /nfs/dbraw/zinc/88/34/69/1300883469.db2.gz JTGXICQMQWWEQX-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001228053601 1302077902 /nfs/dbraw/zinc/07/79/02/1302077902.db2.gz IHGVVOYCEFOFLT-UHFFFAOYSA-N 2 1 341.499 2.349 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001228053601 1302077908 /nfs/dbraw/zinc/07/79/08/1302077908.db2.gz IHGVVOYCEFOFLT-UHFFFAOYSA-N 2 1 341.499 2.349 20 30 EEEDMP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001229860151 1302968802 /nfs/dbraw/zinc/96/88/02/1302968802.db2.gz MVLUECIODZKURH-ZIAGYGMSSA-N 2 1 346.313 2.254 20 30 EEEDMP CCC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001230101334 1303058687 /nfs/dbraw/zinc/05/86/87/1303058687.db2.gz IOYLDNHPOCHFNQ-UHFFFAOYSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001230101334 1303058691 /nfs/dbraw/zinc/05/86/91/1303058691.db2.gz IOYLDNHPOCHFNQ-UHFFFAOYSA-N 2 1 348.516 2.432 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001103631295 1303175435 /nfs/dbraw/zinc/17/54/35/1303175435.db2.gz GTOHKJBHYGFWQT-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001103631295 1303175442 /nfs/dbraw/zinc/17/54/42/1303175442.db2.gz GTOHKJBHYGFWQT-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001103631295 1303175444 /nfs/dbraw/zinc/17/54/44/1303175444.db2.gz GTOHKJBHYGFWQT-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230618900 1303327271 /nfs/dbraw/zinc/32/72/71/1303327271.db2.gz SPGKFDKNASIUFC-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP C=CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1cccnc1 ZINC001230763382 1303439902 /nfs/dbraw/zinc/43/99/02/1303439902.db2.gz XQQCBYVZYVRYPS-LJQANCHMSA-N 2 1 344.503 2.449 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cccnc1 ZINC001230763382 1303439903 /nfs/dbraw/zinc/43/99/03/1303439903.db2.gz XQQCBYVZYVRYPS-LJQANCHMSA-N 2 1 344.503 2.449 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cccnc1 ZINC001230763382 1303439907 /nfs/dbraw/zinc/43/99/07/1303439907.db2.gz XQQCBYVZYVRYPS-LJQANCHMSA-N 2 1 344.503 2.449 20 30 EEEDMP C=C(C)C[NH+](CCCNC(=O)C[N@H+](C)CCC)Cc1cccnc1 ZINC001230905561 1303538521 /nfs/dbraw/zinc/53/85/21/1303538521.db2.gz IIMUGENJLCZKFP-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=C(C)C[N@@H+](CCCNC(=O)C[NH+](C)CCC)Cc1cccnc1 ZINC001230905561 1303538525 /nfs/dbraw/zinc/53/85/25/1303538525.db2.gz IIMUGENJLCZKFP-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=C(C)C[N@H+](CCCNC(=O)C[NH+](C)CCC)Cc1cccnc1 ZINC001230905561 1303538530 /nfs/dbraw/zinc/53/85/30/1303538530.db2.gz IIMUGENJLCZKFP-UHFFFAOYSA-N 2 1 332.492 2.308 20 30 EEEDMP C=CCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001277787987 1304496094 /nfs/dbraw/zinc/49/60/94/1304496094.db2.gz CIBBKMGTCVERSY-QFBILLFUSA-N 2 1 345.491 2.204 20 30 EEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001115117147 1304703160 /nfs/dbraw/zinc/70/31/60/1304703160.db2.gz VEWQCCUNYTXAPH-MANSERQUSA-N 2 1 327.472 2.302 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001115117147 1304703167 /nfs/dbraw/zinc/70/31/67/1304703167.db2.gz VEWQCCUNYTXAPH-MANSERQUSA-N 2 1 327.472 2.302 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001115117147 1304703173 /nfs/dbraw/zinc/70/31/73/1304703173.db2.gz VEWQCCUNYTXAPH-MANSERQUSA-N 2 1 327.472 2.302 20 30 EEEDMP C=CCOCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001235632058 1305305611 /nfs/dbraw/zinc/30/56/11/1305305611.db2.gz DYCKGGHHFQNMJD-QZTJIDSGSA-N 2 1 348.491 2.206 20 30 EEEDMP CCc1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)ccc1C#N ZINC001238776955 1308954256 /nfs/dbraw/zinc/95/42/56/1308954256.db2.gz XCZHCFBBCTXPGM-VQTJNVASSA-N 2 1 326.488 2.331 20 30 EEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001121646252 1310085324 /nfs/dbraw/zinc/08/53/24/1310085324.db2.gz FVCQPXYSGIKBIF-AKJOHPPZSA-N 2 1 342.487 2.347 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246304177 1310277195 /nfs/dbraw/zinc/27/71/95/1310277195.db2.gz KDRPGCUIIBHNBX-YOEHRIQHSA-N 2 1 349.431 2.342 20 30 EEEDMP CCc1cc(C#N)ccc1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001248750380 1310931288 /nfs/dbraw/zinc/93/12/88/1310931288.db2.gz IAUKYPVJZRXJOU-VQTJNVASSA-N 2 1 326.488 2.331 20 30 EEEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001152557213 1316688609 /nfs/dbraw/zinc/68/86/09/1316688609.db2.gz VNROHTQAWBSJEW-SJORKVTESA-N 2 1 327.513 2.114 20 30 EEEDMP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152557213 1316688611 /nfs/dbraw/zinc/68/86/11/1316688611.db2.gz VNROHTQAWBSJEW-SJORKVTESA-N 2 1 327.513 2.114 20 30 EEEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152557213 1316688616 /nfs/dbraw/zinc/68/86/16/1316688616.db2.gz VNROHTQAWBSJEW-SJORKVTESA-N 2 1 327.513 2.114 20 30 EEEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152557213 1316688619 /nfs/dbraw/zinc/68/86/19/1316688619.db2.gz VNROHTQAWBSJEW-SJORKVTESA-N 2 1 327.513 2.114 20 30 EEEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152557213 1316688622 /nfs/dbraw/zinc/68/86/22/1316688622.db2.gz VNROHTQAWBSJEW-SJORKVTESA-N 2 1 327.513 2.114 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001160209372 1320100396 /nfs/dbraw/zinc/10/03/96/1320100396.db2.gz JXAHRDOOHCNKPI-OALUTQOASA-N 2 1 343.446 2.007 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001160209372 1320100399 /nfs/dbraw/zinc/10/03/99/1320100399.db2.gz JXAHRDOOHCNKPI-OALUTQOASA-N 2 1 343.446 2.007 20 30 EEEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001160267716 1320116922 /nfs/dbraw/zinc/11/69/22/1320116922.db2.gz QOCUEWGQPWKZSV-IBGZPJMESA-N 2 1 327.472 2.008 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001203902515 1321985335 /nfs/dbraw/zinc/98/53/35/1321985335.db2.gz HWXPWLDGHLTRBE-UHFFFAOYSA-N 2 1 335.455 2.409 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](C[C@@H]4CCCO4)C[C@H]3CC2)cc1C#N ZINC001276433708 1322008773 /nfs/dbraw/zinc/00/87/73/1322008773.db2.gz OOIQVZDDAZHYDA-NSHGMRRFSA-N 2 1 342.487 2.220 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](C[C@@H]4CCCO4)C[C@H]3CC2)cc1C#N ZINC001276433708 1322008777 /nfs/dbraw/zinc/00/87/77/1322008777.db2.gz OOIQVZDDAZHYDA-NSHGMRRFSA-N 2 1 342.487 2.220 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](C[C@@H]4CCCO4)C[C@H]3CC2)cc1C#N ZINC001276433708 1322008785 /nfs/dbraw/zinc/00/87/85/1322008785.db2.gz OOIQVZDDAZHYDA-NSHGMRRFSA-N 2 1 342.487 2.220 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209644133 1324998713 /nfs/dbraw/zinc/99/87/13/1324998713.db2.gz YPALRQZRTLFJBG-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001210482018 1325302059 /nfs/dbraw/zinc/30/20/59/1325302059.db2.gz JFGHWXWUMCFMLC-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001282410860 1325713614 /nfs/dbraw/zinc/71/36/14/1325713614.db2.gz FWNFIPNAUSKZNR-MAUKXSAKSA-N 2 1 349.906 2.468 20 30 EEEDMP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001282410860 1325713617 /nfs/dbraw/zinc/71/36/17/1325713617.db2.gz FWNFIPNAUSKZNR-MAUKXSAKSA-N 2 1 349.906 2.468 20 30 EEEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2cnc[nH]2)CCCO1 ZINC001200653242 1338503174 /nfs/dbraw/zinc/50/31/74/1338503174.db2.gz HDOFVMVFMSYTKJ-GOSISDBHSA-N 2 1 348.491 2.296 20 30 EEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001100677219 1338630423 /nfs/dbraw/zinc/63/04/23/1338630423.db2.gz BEWDNELVYLSIPJ-CGZBRXJRSA-N 2 1 330.476 2.205 20 30 EEEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1OC ZINC001198903136 1368651723 /nfs/dbraw/zinc/65/17/23/1368651723.db2.gz VLUMZEQHZQDOQX-KRWDZBQOSA-N 2 1 345.487 2.053 20 30 EEEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1OC ZINC001198903136 1368651726 /nfs/dbraw/zinc/65/17/26/1368651726.db2.gz VLUMZEQHZQDOQX-KRWDZBQOSA-N 2 1 345.487 2.053 20 30 EEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202148466 1368880996 /nfs/dbraw/zinc/88/09/96/1368880996.db2.gz VPMZPJCOVUNQAR-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(O)c(C)c2)CC1 ZINC001140576468 1372607834 /nfs/dbraw/zinc/60/78/34/1372607834.db2.gz XFCXJYZEKYHBKF-UHFFFAOYSA-N 2 1 329.488 2.492 20 30 EEEDMP CCCC[NH+]=C(NCC[NH+]1CCC(O)CC1)NCc1ccc(C)cc1 ZINC000849110031 1373241282 /nfs/dbraw/zinc/24/12/82/1373241282.db2.gz PMAOFXCACJZPFI-UHFFFAOYSA-N 2 1 346.519 2.287 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001374384697 1376755508 /nfs/dbraw/zinc/75/55/08/1376755508.db2.gz NNMGMKAGCNAYJC-RHSMWYFYSA-N 2 1 348.516 2.288 20 30 EEEDMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001378225411 1379804207 /nfs/dbraw/zinc/80/42/07/1379804207.db2.gz AZGJKBHHPMEQEQ-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001378225411 1379804212 /nfs/dbraw/zinc/80/42/12/1379804212.db2.gz AZGJKBHHPMEQEQ-HNNXBMFYSA-N 2 1 348.516 2.432 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C#N)CC1 ZINC001378457879 1380000483 /nfs/dbraw/zinc/00/04/83/1380000483.db2.gz XTUKRHOOFBSYPY-WGSAOQKQSA-N 2 1 342.487 2.417 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C ZINC001394672821 1390735595 /nfs/dbraw/zinc/73/55/95/1390735595.db2.gz SNDOPLCCIUHBJS-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001752940202 1406565609 /nfs/dbraw/zinc/56/56/09/1406565609.db2.gz IMJCGBWARXMSPD-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001752940202 1406565615 /nfs/dbraw/zinc/56/56/15/1406565615.db2.gz IMJCGBWARXMSPD-OALUTQOASA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001401086750 1396924005 /nfs/dbraw/zinc/92/40/05/1396924005.db2.gz QFCLFRNXEVXDJF-GOSISDBHSA-N 2 1 349.906 2.494 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001401507405 1397414528 /nfs/dbraw/zinc/41/45/28/1397414528.db2.gz XPVBFOUEJJUHSW-OALUTQOASA-N 2 1 342.487 2.275 20 30 EEEDMP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001402977742 1398301252 /nfs/dbraw/zinc/30/12/52/1398301252.db2.gz VLTXGSVGVJOJCL-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001403166791 1398446427 /nfs/dbraw/zinc/44/64/27/1398446427.db2.gz LJTSLGHLBSRZPB-XJKSGUPXSA-N 2 1 336.505 2.142 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001403166791 1398446432 /nfs/dbraw/zinc/44/64/32/1398446432.db2.gz LJTSLGHLBSRZPB-XJKSGUPXSA-N 2 1 336.505 2.142 20 30 EEEDMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001422586558 1400051844 /nfs/dbraw/zinc/05/18/44/1400051844.db2.gz BCMSKHHKDJOJBD-QAPCUYQASA-N 2 1 330.476 2.081 20 30 EEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001755183985 1407189290 /nfs/dbraw/zinc/18/92/90/1407189290.db2.gz VRDYBGFXYCYTRJ-UHFFFAOYSA-N 2 1 331.504 2.056 20 30 EEEDMP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001755516992 1407571161 /nfs/dbraw/zinc/57/11/61/1407571161.db2.gz RAPIURWZJKIMON-IAGOWNOFSA-N 2 1 342.487 2.275 20 30 EEEDMP C=CCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC001755850442 1407901838 /nfs/dbraw/zinc/90/18/38/1407901838.db2.gz DULDMEFKVDYQEB-KBPBESRZSA-N 2 1 344.381 2.137 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](O)C1 ZINC001100071973 1410518852 /nfs/dbraw/zinc/51/88/52/1410518852.db2.gz MYFXDNSEELVGOE-QZTJIDSGSA-N 2 1 339.524 2.016 20 30 EEEDMP CC#CC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167377543 758188671 /nfs/dbraw/zinc/18/86/71/758188671.db2.gz RPSZIBKHGGFNNV-UHFFFAOYSA-N 2 1 330.476 2.296 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001075454045 760709024 /nfs/dbraw/zinc/70/90/24/760709024.db2.gz JWYOKMQLFAWZNN-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075454045 760709033 /nfs/dbraw/zinc/70/90/33/760709033.db2.gz JWYOKMQLFAWZNN-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC1 ZINC001075454045 760709044 /nfs/dbraw/zinc/70/90/44/760709044.db2.gz JWYOKMQLFAWZNN-QUCCMNQESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc2c[nH]ccc-2n1 ZINC001087293164 761498940 /nfs/dbraw/zinc/49/89/40/761498940.db2.gz ZKPUTJNETRHGCL-FHLIZLRMSA-N 2 1 336.439 2.415 20 30 EEEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C[C@H](C)O2 ZINC001098606780 765221779 /nfs/dbraw/zinc/22/17/79/765221779.db2.gz VKXWZIQJBHHPSY-ROUUACIJSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001104896513 765524494 /nfs/dbraw/zinc/52/44/94/765524494.db2.gz CBVPUSRANXFHNP-RLLQIKCJSA-N 2 1 341.499 2.387 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520633 782609778 /nfs/dbraw/zinc/60/97/78/782609778.db2.gz IVJPGUOSXYLEMM-CVEARBPZSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520633 782609782 /nfs/dbraw/zinc/60/97/82/782609782.db2.gz IVJPGUOSXYLEMM-CVEARBPZSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540208 770171139 /nfs/dbraw/zinc/17/11/39/770171139.db2.gz SIOUPAMZHCICGI-OAHLLOKOSA-N 2 1 339.911 2.442 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]2C1 ZINC001088052230 782824169 /nfs/dbraw/zinc/82/41/69/782824169.db2.gz DPRJKIAQZJZUIR-MOPGFXCFSA-N 2 1 341.499 2.371 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001027892503 774072357 /nfs/dbraw/zinc/07/23/57/774072357.db2.gz XINAJMIMZKHDSV-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001027892503 774072359 /nfs/dbraw/zinc/07/23/59/774072359.db2.gz XINAJMIMZKHDSV-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)CC[NH+]1C ZINC001027892503 774072363 /nfs/dbraw/zinc/07/23/63/774072363.db2.gz XINAJMIMZKHDSV-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)CC[NH+]1C ZINC001027892503 774072368 /nfs/dbraw/zinc/07/23/68/774072368.db2.gz XINAJMIMZKHDSV-JKIFEVAISA-N 2 1 346.500 2.041 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089719687 774685497 /nfs/dbraw/zinc/68/54/97/774685497.db2.gz JFSHJKYRHCPFAT-LJQANCHMSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000939413029 776483824 /nfs/dbraw/zinc/48/38/24/776483824.db2.gz JCYPVUDOLATKIG-MLGOLLRUSA-N 2 1 345.834 2.070 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC000997623913 790467348 /nfs/dbraw/zinc/46/73/48/790467348.db2.gz JEQREPKQYVJMNC-NIAPBTPMSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC000997623913 790467360 /nfs/dbraw/zinc/46/73/60/790467360.db2.gz JEQREPKQYVJMNC-NIAPBTPMSA-N 2 1 345.531 2.347 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CCCC2)CC1 ZINC000997624597 790469304 /nfs/dbraw/zinc/46/93/04/790469304.db2.gz VXLBASRWUMFATE-PXNSSMCTSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CCCC2)CC1 ZINC000997624597 790469314 /nfs/dbraw/zinc/46/93/14/790469314.db2.gz VXLBASRWUMFATE-PXNSSMCTSA-N 2 1 345.531 2.491 20 30 EEEDMP N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001031850177 777382184 /nfs/dbraw/zinc/38/21/84/777382184.db2.gz RUXLCDANRZZNQB-UHFFFAOYSA-N 2 1 345.406 2.068 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089847743 777907177 /nfs/dbraw/zinc/90/71/77/777907177.db2.gz XKPGGMOLKYYABI-OKYOBFRVSA-N 2 1 343.515 2.053 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981812965 778259024 /nfs/dbraw/zinc/25/90/24/778259024.db2.gz AEBLIAHKDLBWSY-HNNXBMFYSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981812965 778259028 /nfs/dbraw/zinc/25/90/28/778259028.db2.gz AEBLIAHKDLBWSY-HNNXBMFYSA-N 2 1 325.884 2.004 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC000982295752 779604135 /nfs/dbraw/zinc/60/41/35/779604135.db2.gz CTRCREQZBLWMCM-CALCHBBNSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC000982295752 779604139 /nfs/dbraw/zinc/60/41/39/779604139.db2.gz CTRCREQZBLWMCM-CALCHBBNSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296704 779615239 /nfs/dbraw/zinc/61/52/39/779615239.db2.gz XSTLSQNYOPFWEV-RYQLBKOJSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296704 779615246 /nfs/dbraw/zinc/61/52/46/779615246.db2.gz XSTLSQNYOPFWEV-RYQLBKOJSA-N 2 1 339.911 2.250 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720306 779709426 /nfs/dbraw/zinc/70/94/26/779709426.db2.gz DQQNGPPUUOTVOU-GBESFXJTSA-N 2 1 327.472 2.098 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC(CC)CC)CC1 ZINC001028332970 780772141 /nfs/dbraw/zinc/77/21/41/780772141.db2.gz AFZLIBDISFMVKQ-LJQANCHMSA-N 2 1 333.520 2.348 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087519703 781646493 /nfs/dbraw/zinc/64/64/93/781646493.db2.gz YRUWNMSMIJTATC-IPMKNSEASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087519703 781646500 /nfs/dbraw/zinc/64/65/00/781646500.db2.gz YRUWNMSMIJTATC-IPMKNSEASA-N 2 1 340.471 2.122 20 30 EEEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087519703 781646509 /nfs/dbraw/zinc/64/65/09/781646509.db2.gz YRUWNMSMIJTATC-IPMKNSEASA-N 2 1 340.471 2.122 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105395645 781887146 /nfs/dbraw/zinc/88/71/46/781887146.db2.gz BYKRMCQAIDQAJH-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001135437148 783766770 /nfs/dbraw/zinc/76/67/70/783766770.db2.gz PBEZVOVZBCDDTP-UHFFFAOYSA-N 2 1 330.476 2.276 20 30 EEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575043 783900029 /nfs/dbraw/zinc/90/00/29/783900029.db2.gz OMNINOIJEMVWLJ-OALUTQOASA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575043 783900036 /nfs/dbraw/zinc/90/00/36/783900036.db2.gz OMNINOIJEMVWLJ-OALUTQOASA-N 2 1 333.520 2.443 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575043 783900039 /nfs/dbraw/zinc/90/00/39/783900039.db2.gz OMNINOIJEMVWLJ-OALUTQOASA-N 2 1 333.520 2.443 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035257272 784206953 /nfs/dbraw/zinc/20/69/53/784206953.db2.gz VGCQIHNYFSDKOZ-HDICACEKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035257272 784206963 /nfs/dbraw/zinc/20/69/63/784206963.db2.gz VGCQIHNYFSDKOZ-HDICACEKSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035257272 784206971 /nfs/dbraw/zinc/20/69/71/784206971.db2.gz VGCQIHNYFSDKOZ-HDICACEKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001035373148 784391786 /nfs/dbraw/zinc/39/17/86/784391786.db2.gz HAFAXYFUHVZKER-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001035373148 784391793 /nfs/dbraw/zinc/39/17/93/784391793.db2.gz HAFAXYFUHVZKER-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001035373148 784391799 /nfs/dbraw/zinc/39/17/99/784391799.db2.gz HAFAXYFUHVZKER-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001035373148 784391805 /nfs/dbraw/zinc/39/18/05/784391805.db2.gz HAFAXYFUHVZKER-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135783429 784422873 /nfs/dbraw/zinc/42/28/73/784422873.db2.gz ARFVGVMOJVITDL-GJZGRUSLSA-N 2 1 327.432 2.330 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035538352 784641400 /nfs/dbraw/zinc/64/14/00/784641400.db2.gz ZQBRILDRHIABDN-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035538352 784641406 /nfs/dbraw/zinc/64/14/06/784641406.db2.gz ZQBRILDRHIABDN-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035538352 784641413 /nfs/dbraw/zinc/64/14/13/784641413.db2.gz ZQBRILDRHIABDN-ROUUACIJSA-N 2 1 337.508 2.033 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1(C)C ZINC000995825002 785726209 /nfs/dbraw/zinc/72/62/09/785726209.db2.gz MEWADBGLHWDMON-RRFJBIMHSA-N 2 1 327.900 2.296 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107817722 788559142 /nfs/dbraw/zinc/55/91/42/788559142.db2.gz WHBLIABHICBAOD-MJGOQNOKSA-N 2 1 337.508 2.034 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859176 788820997 /nfs/dbraw/zinc/82/09/97/788820997.db2.gz MLMNEAILRZFIGL-HAGHYFMRSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997180233 789367658 /nfs/dbraw/zinc/36/76/58/789367658.db2.gz JLDGBJZJEIPQCK-ZBFHGGJFSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997180233 789367664 /nfs/dbraw/zinc/36/76/64/789367664.db2.gz JLDGBJZJEIPQCK-ZBFHGGJFSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c(OC)c1 ZINC000923346867 789424618 /nfs/dbraw/zinc/42/46/18/789424618.db2.gz WIPCMJVOGYITDA-RCCFBDPRSA-N 2 1 348.487 2.223 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032583880 791693542 /nfs/dbraw/zinc/69/35/42/791693542.db2.gz GTZCZVHIMGACJA-FHWLQOOXSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001032583880 791693548 /nfs/dbraw/zinc/69/35/48/791693548.db2.gz GTZCZVHIMGACJA-FHWLQOOXSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001032583880 791693553 /nfs/dbraw/zinc/69/35/53/791693553.db2.gz GTZCZVHIMGACJA-FHWLQOOXSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001032583880 791693556 /nfs/dbraw/zinc/69/35/56/791693556.db2.gz GTZCZVHIMGACJA-FHWLQOOXSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC(C)C)C2 ZINC001147737093 791937979 /nfs/dbraw/zinc/93/79/79/791937979.db2.gz PXOANICKGGDZCY-MOPGFXCFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)CC(C)C)C2 ZINC001147737093 791937985 /nfs/dbraw/zinc/93/79/85/791937985.db2.gz PXOANICKGGDZCY-MOPGFXCFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC(C)C)C2 ZINC001147737093 791937992 /nfs/dbraw/zinc/93/79/92/791937992.db2.gz PXOANICKGGDZCY-MOPGFXCFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC(C)C)C2 ZINC001147737093 791937997 /nfs/dbraw/zinc/93/79/97/791937997.db2.gz PXOANICKGGDZCY-MOPGFXCFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC(C)C)C2 ZINC001147737093 791938004 /nfs/dbraw/zinc/93/80/04/791938004.db2.gz PXOANICKGGDZCY-MOPGFXCFSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@@H]2C)CC1 ZINC001089059215 792021521 /nfs/dbraw/zinc/02/15/21/792021521.db2.gz DSEDMEMZKZTVEA-AEFFLSMTSA-N 2 1 333.520 2.347 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2cnc[nH]2)CC[C@@H]1C(F)(F)F ZINC000998265367 792385335 /nfs/dbraw/zinc/38/53/35/792385335.db2.gz HJWRHNZMBZPXFE-KBPBESRZSA-N 2 1 344.381 2.287 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629580 792590752 /nfs/dbraw/zinc/59/07/52/792590752.db2.gz DNHYKZLMYUTZRG-OALUTQOASA-N 2 1 327.472 2.266 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629580 792590759 /nfs/dbraw/zinc/59/07/59/792590759.db2.gz DNHYKZLMYUTZRG-OALUTQOASA-N 2 1 327.472 2.266 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+]4CCCC4)on3)CCC[C@H]12 ZINC000992166951 793016233 /nfs/dbraw/zinc/01/62/33/793016233.db2.gz JUIFECXVLARFFT-HKUYNNGSSA-N 2 1 344.459 2.183 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+]4CCCC4)on3)CCC[C@H]12 ZINC000992166951 793016245 /nfs/dbraw/zinc/01/62/45/793016245.db2.gz JUIFECXVLARFFT-HKUYNNGSSA-N 2 1 344.459 2.183 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092919606 794437829 /nfs/dbraw/zinc/43/78/29/794437829.db2.gz UEFILXHLKSBFHZ-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092919606 794437835 /nfs/dbraw/zinc/43/78/35/794437835.db2.gz UEFILXHLKSBFHZ-KBAYOESNSA-N 2 1 344.503 2.404 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C/C=C/Cl)CC3)CC1 ZINC000992510250 794455716 /nfs/dbraw/zinc/45/57/16/794455716.db2.gz PFIWIZYAONJPNG-CZXUICPOSA-N 2 1 349.906 2.197 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036860012 795510791 /nfs/dbraw/zinc/51/07/91/795510791.db2.gz ZIERXXMYJPSQIL-OALUTQOASA-N 2 1 331.504 2.053 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080446719 796021519 /nfs/dbraw/zinc/02/15/19/796021519.db2.gz PNRJRLSSJZNBLB-QGPMSJSTSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080446719 796021530 /nfs/dbraw/zinc/02/15/30/796021530.db2.gz PNRJRLSSJZNBLB-QGPMSJSTSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001106810540 796677493 /nfs/dbraw/zinc/67/74/93/796677493.db2.gz DRUGCHLRUWAMEI-HZPDHXFCSA-N 2 1 339.443 2.141 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C12CCC2 ZINC001078683981 796813905 /nfs/dbraw/zinc/81/39/05/796813905.db2.gz ZSOZCUIUGWENCB-ROUUACIJSA-N 2 1 342.487 2.355 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001081667840 796844125 /nfs/dbraw/zinc/84/41/25/796844125.db2.gz BQUZWBIGMLZESY-IAGOWNOFSA-N 2 1 337.508 2.033 20 30 EEEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978435 797179160 /nfs/dbraw/zinc/17/91/60/797179160.db2.gz MAJVNSBQVNKCCB-LVQVYYBASA-N 2 1 336.480 2.208 20 30 EEEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978435 797179167 /nfs/dbraw/zinc/17/91/67/797179167.db2.gz MAJVNSBQVNKCCB-LVQVYYBASA-N 2 1 336.480 2.208 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994012495 797226376 /nfs/dbraw/zinc/22/63/76/797226376.db2.gz UXZZEFZPAPGBGU-APWZRJJASA-N 2 1 327.472 2.354 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCC3)[C@@H]2C)CC1 ZINC000994498558 798095312 /nfs/dbraw/zinc/09/53/12/798095312.db2.gz NBMKCTBVRLTGCC-YLJYHZDGSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084470430 798218288 /nfs/dbraw/zinc/21/82/88/798218288.db2.gz JDKMUCSUVAYYQF-SJLPKXTDSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084470430 798218291 /nfs/dbraw/zinc/21/82/91/798218291.db2.gz JDKMUCSUVAYYQF-SJLPKXTDSA-N 2 1 331.504 2.195 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084470430 798218294 /nfs/dbraw/zinc/21/82/94/798218294.db2.gz JDKMUCSUVAYYQF-SJLPKXTDSA-N 2 1 331.504 2.195 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084446207 798230656 /nfs/dbraw/zinc/23/06/56/798230656.db2.gz XMSQXRJQPJLBKA-QZTJIDSGSA-N 2 1 331.504 2.361 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001016335543 798677844 /nfs/dbraw/zinc/67/78/44/798677844.db2.gz DVZHEABJDWYWFN-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP CCCCCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177089278 798743257 /nfs/dbraw/zinc/74/32/57/798743257.db2.gz QZNIXLAVNDERML-ZWKOTPCHSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177089278 798743260 /nfs/dbraw/zinc/74/32/60/798743260.db2.gz QZNIXLAVNDERML-ZWKOTPCHSA-N 2 1 339.524 2.210 20 30 EEEDMP C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001178902586 799692252 /nfs/dbraw/zinc/69/22/52/799692252.db2.gz XSJVXYCHKUZQLR-PXNSSMCTSA-N 2 1 339.483 2.101 20 30 EEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001179539557 799983711 /nfs/dbraw/zinc/98/37/11/799983711.db2.gz ZEFWYGLEGNQZDK-ZVZYQTTQSA-N 2 1 330.476 2.299 20 30 EEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001179554238 799989102 /nfs/dbraw/zinc/98/91/02/799989102.db2.gz WMDXZUXFNMKCDC-HKUYNNGSSA-N 2 1 329.488 2.316 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001180259333 800336436 /nfs/dbraw/zinc/33/64/36/800336436.db2.gz BWZGICLKPCAKDK-FQEVSTJZSA-N 2 1 341.499 2.256 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001085646982 800959143 /nfs/dbraw/zinc/95/91/43/800959143.db2.gz XOVRGUCVIKOZJR-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085646982 800959150 /nfs/dbraw/zinc/95/91/50/800959150.db2.gz XOVRGUCVIKOZJR-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001085646982 800959153 /nfs/dbraw/zinc/95/91/53/800959153.db2.gz XOVRGUCVIKOZJR-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001085646982 800959158 /nfs/dbraw/zinc/95/91/58/800959158.db2.gz XOVRGUCVIKOZJR-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001085646982 800959164 /nfs/dbraw/zinc/95/91/64/800959164.db2.gz XOVRGUCVIKOZJR-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001182346803 801129366 /nfs/dbraw/zinc/12/93/66/801129366.db2.gz XXILQFNUKNKCPP-QWFCFKBJSA-N 2 1 333.520 2.206 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788112 801278477 /nfs/dbraw/zinc/27/84/77/801278477.db2.gz DYDBUPLQJMQXJV-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788112 801278481 /nfs/dbraw/zinc/27/84/81/801278481.db2.gz DYDBUPLQJMQXJV-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001184822254 802209745 /nfs/dbraw/zinc/20/97/45/802209745.db2.gz QGUIENCSCIPKLL-CVEARBPZSA-N 2 1 330.476 2.022 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498100 802229858 /nfs/dbraw/zinc/22/98/58/802229858.db2.gz MJYIRMWSISMGMT-UXHICEINSA-N 2 1 343.515 2.197 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623763 802292005 /nfs/dbraw/zinc/29/20/05/802292005.db2.gz PSPHTAPOCJVETL-BBWFWOEESA-N 2 1 328.460 2.117 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623763 802292012 /nfs/dbraw/zinc/29/20/12/802292012.db2.gz PSPHTAPOCJVETL-BBWFWOEESA-N 2 1 328.460 2.117 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC[C@@H](C)F)C[C@H]2CC1 ZINC000946628238 802369559 /nfs/dbraw/zinc/36/95/59/802369559.db2.gz NHDVUKDCJWZVPJ-YRXWBPOGSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC[C@@H](C)F)C[C@H]2CC1 ZINC000946628238 802369562 /nfs/dbraw/zinc/36/95/62/802369562.db2.gz NHDVUKDCJWZVPJ-YRXWBPOGSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@@H](C)F)C[C@H]2CC1 ZINC000946628238 802369564 /nfs/dbraw/zinc/36/95/64/802369564.db2.gz NHDVUKDCJWZVPJ-YRXWBPOGSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@@H](C)F)C[C@H]2CC1 ZINC000946628238 802369575 /nfs/dbraw/zinc/36/95/75/802369575.db2.gz NHDVUKDCJWZVPJ-YRXWBPOGSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001033159772 802658169 /nfs/dbraw/zinc/65/81/69/802658169.db2.gz ABYOGORMUKUIPC-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001033159772 802658174 /nfs/dbraw/zinc/65/81/74/802658174.db2.gz ABYOGORMUKUIPC-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001033159772 802658180 /nfs/dbraw/zinc/65/81/80/802658180.db2.gz ABYOGORMUKUIPC-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001033159772 802658185 /nfs/dbraw/zinc/65/81/85/802658185.db2.gz ABYOGORMUKUIPC-PMACEKPBSA-N 2 1 339.483 2.125 20 30 EEEDMP C=CCCC[N@@H+]1CCn2ncc(CNC(=O)CCCC[NH+](C)C)c2C1 ZINC001128554593 802990856 /nfs/dbraw/zinc/99/08/56/802990856.db2.gz DAPCCXWMNROZLA-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP C=CCCC[N@H+]1CCn2ncc(CNC(=O)CCCC[NH+](C)C)c2C1 ZINC001128554593 802990860 /nfs/dbraw/zinc/99/08/60/802990860.db2.gz DAPCCXWMNROZLA-UHFFFAOYSA-N 2 1 347.507 2.013 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001108716074 804385186 /nfs/dbraw/zinc/38/51/86/804385186.db2.gz GHWKMXWMLMEISL-XHSDSOJGSA-N 2 1 346.475 2.285 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472089 805523057 /nfs/dbraw/zinc/52/30/57/805523057.db2.gz WFAIDMOZZFUAMV-SQNIBIBYSA-N 2 1 331.504 2.384 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472089 805523064 /nfs/dbraw/zinc/52/30/64/805523064.db2.gz WFAIDMOZZFUAMV-SQNIBIBYSA-N 2 1 331.504 2.384 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109472089 805523074 /nfs/dbraw/zinc/52/30/74/805523074.db2.gz WFAIDMOZZFUAMV-SQNIBIBYSA-N 2 1 331.504 2.384 20 30 EEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109472089 805523079 /nfs/dbraw/zinc/52/30/79/805523079.db2.gz WFAIDMOZZFUAMV-SQNIBIBYSA-N 2 1 331.504 2.384 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607189 809714486 /nfs/dbraw/zinc/71/44/86/809714486.db2.gz PCOFQYRXVNEUGU-VQTJNVASSA-N 2 1 341.499 2.489 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001129771507 810994321 /nfs/dbraw/zinc/99/43/21/810994321.db2.gz ZXLPPBFENQFZSU-YZTRRJNXSA-N 2 1 345.874 2.157 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001129771507 810994328 /nfs/dbraw/zinc/99/43/28/810994328.db2.gz ZXLPPBFENQFZSU-YZTRRJNXSA-N 2 1 345.874 2.157 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436840883 1088474530 /nfs/dbraw/zinc/47/45/30/1088474530.db2.gz KLQMFFDLQJWWJO-HNNXBMFYSA-N 2 1 327.900 2.251 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001440597670 1093863565 /nfs/dbraw/zinc/86/35/65/1093863565.db2.gz VIRYNKLUEUJBRD-PBHICJAKSA-N 2 1 335.879 2.307 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001440597670 1093863568 /nfs/dbraw/zinc/86/35/68/1093863568.db2.gz VIRYNKLUEUJBRD-PBHICJAKSA-N 2 1 335.879 2.307 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001441670735 1095643070 /nfs/dbraw/zinc/64/30/70/1095643070.db2.gz FDKMGVMXHWOIDV-LSDHHAIUSA-N 2 1 327.900 2.440 20 30 EEEDMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001441971326 1096176139 /nfs/dbraw/zinc/17/61/39/1096176139.db2.gz JFCDRQACOXKIHU-HNNXBMFYSA-N 2 1 339.443 2.173 20 30 EEEDMP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)Cc1ccc(C#N)s1 ZINC001442697121 1097067316 /nfs/dbraw/zinc/06/73/16/1097067316.db2.gz XIROWMVJGVYXIR-UHFFFAOYSA-N 2 1 346.500 2.186 20 30 EEEDMP CC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)Cc1ccc(C#N)s1 ZINC001442697121 1097067320 /nfs/dbraw/zinc/06/73/20/1097067320.db2.gz XIROWMVJGVYXIR-UHFFFAOYSA-N 2 1 346.500 2.186 20 30 EEEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001499127887 1112138254 /nfs/dbraw/zinc/13/82/54/1112138254.db2.gz RJCGPLURGVBQDK-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001499127887 1112138255 /nfs/dbraw/zinc/13/82/55/1112138255.db2.gz RJCGPLURGVBQDK-LJQANCHMSA-N 2 1 340.471 2.125 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC001507328501 1115194919 /nfs/dbraw/zinc/19/49/19/1115194919.db2.gz PHHHMHAJKTVHTA-WMLDXEAASA-N 2 1 346.450 2.118 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000108555460 463615516 /nfs/dbraw/zinc/61/55/16/463615516.db2.gz YYCBZGJMHCQJJL-MSOLQXFVSA-N 2 1 336.524 2.326 20 30 EEEDMP C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702778 463864862 /nfs/dbraw/zinc/86/48/62/463864862.db2.gz XMQODSDQXXXOBK-DOXZYTNZSA-N 2 1 332.492 2.037 20 30 EEEDMP C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702778 463864869 /nfs/dbraw/zinc/86/48/69/463864869.db2.gz XMQODSDQXXXOBK-DOXZYTNZSA-N 2 1 332.492 2.037 20 30 EEEDMP CC(C)(C)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264141257 464288673 /nfs/dbraw/zinc/28/86/73/464288673.db2.gz WLSKYBTUNPHLLA-UHFFFAOYSA-N 2 1 332.492 2.111 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2OC)CC1 ZINC000264162849 464288843 /nfs/dbraw/zinc/28/88/43/464288843.db2.gz BPXYFZPJPMXAFC-OAHLLOKOSA-N 2 1 330.476 2.115 20 30 EEEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)N(C)CCC#N)C1 ZINC000245685395 464506274 /nfs/dbraw/zinc/50/62/74/464506274.db2.gz KUDDMUGAHDFRGJ-ROUUACIJSA-N 2 1 334.508 2.335 20 30 EEEDMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1C#N ZINC000281791972 464588291 /nfs/dbraw/zinc/58/82/91/464588291.db2.gz UPLCCGCJFWDXAR-QZTJIDSGSA-N 2 1 329.444 2.034 20 30 EEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000295047186 464688451 /nfs/dbraw/zinc/68/84/51/464688451.db2.gz PYEYKZDJWMXEOI-INIZCTEOSA-N 2 1 334.460 2.326 20 30 EEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000295047186 464688453 /nfs/dbraw/zinc/68/84/53/464688453.db2.gz PYEYKZDJWMXEOI-INIZCTEOSA-N 2 1 334.460 2.326 20 30 EEEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345804400 465905581 /nfs/dbraw/zinc/90/55/81/465905581.db2.gz ZGTJKXNWJXXLQR-MRXNPFEDSA-N 2 1 334.508 2.381 20 30 EEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCC1(C#N)CCOCC1 ZINC000368531340 466661432 /nfs/dbraw/zinc/66/14/32/466661432.db2.gz UTIPAKFZDDHHNX-KURKYZTESA-N 2 1 335.492 2.270 20 30 EEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)C(C)C ZINC000422163373 466668481 /nfs/dbraw/zinc/66/84/81/466668481.db2.gz FPWGHRGWWHZNCZ-ROUUACIJSA-N 2 1 336.524 2.421 20 30 EEEDMP C=C(Br)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000373254241 466744357 /nfs/dbraw/zinc/74/43/57/466744357.db2.gz DLLGGNDZOSKOHS-UHFFFAOYSA-N 2 1 330.314 2.245 20 30 EEEDMP Cn1cncc1[C@H]1[C@H](C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)CCCN1C ZINC000598615827 468934288 /nfs/dbraw/zinc/93/42/88/468934288.db2.gz GQBRXIOTUYREFV-LZLYRXPVSA-N 2 1 347.507 2.036 20 30 EEEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000602515638 469346122 /nfs/dbraw/zinc/34/61/22/469346122.db2.gz QYKFPNLJUOGWQQ-INIZCTEOSA-N 2 1 328.460 2.104 20 30 EEEDMP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168021200 782133734 /nfs/dbraw/zinc/13/37/34/782133734.db2.gz CJQJHEFCICIIPV-WOJBJXKFSA-N 2 1 339.483 2.151 20 30 EEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001021094573 675719199 /nfs/dbraw/zinc/71/91/99/675719199.db2.gz UDOCMYNRBFHKKW-FHWLQOOXSA-N 2 1 340.471 2.169 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636048 676290127 /nfs/dbraw/zinc/29/01/27/676290127.db2.gz NIRTVIXVOJVTEY-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636048 676290128 /nfs/dbraw/zinc/29/01/28/676290128.db2.gz NIRTVIXVOJVTEY-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001021638399 676293945 /nfs/dbraw/zinc/29/39/45/676293945.db2.gz DSRGNSMAPGURHC-ICSRJNTNSA-N 2 1 348.450 2.432 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000972700284 679667825 /nfs/dbraw/zinc/66/78/25/679667825.db2.gz GAOGSWMHLUPWQL-KRWDZBQOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000972700284 679667826 /nfs/dbraw/zinc/66/78/26/679667826.db2.gz GAOGSWMHLUPWQL-KRWDZBQOSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001022165755 676713075 /nfs/dbraw/zinc/71/30/75/676713075.db2.gz DWIANIIMWURDAI-HZSPNIEDSA-N 2 1 344.297 2.006 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972419158 678714133 /nfs/dbraw/zinc/71/41/33/678714133.db2.gz BOXLPZFRSALPNW-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972419158 678714135 /nfs/dbraw/zinc/71/41/35/678714135.db2.gz BOXLPZFRSALPNW-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972419158 678714136 /nfs/dbraw/zinc/71/41/36/678714136.db2.gz BOXLPZFRSALPNW-ICSRJNTNSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369139 679276215 /nfs/dbraw/zinc/27/62/15/679276215.db2.gz AMCQMWWSAQSJTH-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369139 679276216 /nfs/dbraw/zinc/27/62/16/679276216.db2.gz AMCQMWWSAQSJTH-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369139 679276218 /nfs/dbraw/zinc/27/62/18/679276218.db2.gz AMCQMWWSAQSJTH-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411815 679296084 /nfs/dbraw/zinc/29/60/84/679296084.db2.gz JQXMNGFIYXXLDG-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001023411815 679296086 /nfs/dbraw/zinc/29/60/86/679296086.db2.gz JQXMNGFIYXXLDG-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001023411815 679296088 /nfs/dbraw/zinc/29/60/88/679296088.db2.gz JQXMNGFIYXXLDG-HKUYNNGSSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024648241 681311785 /nfs/dbraw/zinc/31/17/85/681311785.db2.gz ZJMZBQIRTIAQDB-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024648241 681311789 /nfs/dbraw/zinc/31/17/89/681311789.db2.gz ZJMZBQIRTIAQDB-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028802200 682258877 /nfs/dbraw/zinc/25/88/77/682258877.db2.gz KGBYVARPALZOHT-GOSISDBHSA-N 2 1 329.488 2.419 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025274795 682377322 /nfs/dbraw/zinc/37/73/22/682377322.db2.gz NZPIPBGPYQKQDT-QZTJIDSGSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025274795 682377323 /nfs/dbraw/zinc/37/73/23/682377323.db2.gz NZPIPBGPYQKQDT-QZTJIDSGSA-N 2 1 342.487 2.485 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974821239 685580165 /nfs/dbraw/zinc/58/01/65/685580165.db2.gz AQHMLHGDASCBDP-KRWDZBQOSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974821239 685580168 /nfs/dbraw/zinc/58/01/68/685580168.db2.gz AQHMLHGDASCBDP-KRWDZBQOSA-N 2 1 330.476 2.165 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001025627625 683153610 /nfs/dbraw/zinc/15/36/10/683153610.db2.gz AJQBPNDPGFWFEA-PXNSSMCTSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC000978624640 693756740 /nfs/dbraw/zinc/75/67/40/693756740.db2.gz AXDWJTFCPZKZNR-DSLXNQLJSA-N 2 1 342.487 2.014 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC000978624640 693756743 /nfs/dbraw/zinc/75/67/43/693756743.db2.gz AXDWJTFCPZKZNR-DSLXNQLJSA-N 2 1 342.487 2.014 20 30 EEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001026559900 684744618 /nfs/dbraw/zinc/74/46/18/684744618.db2.gz VKJVWAWUABJQDF-KLAILNCOSA-N 2 1 330.476 2.347 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000985476956 686984804 /nfs/dbraw/zinc/98/48/04/686984804.db2.gz XIKOXBBUWUIHBC-FQEVSTJZSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000985476956 686984810 /nfs/dbraw/zinc/98/48/10/686984810.db2.gz XIKOXBBUWUIHBC-FQEVSTJZSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2ccccc2)CC1 ZINC000985476956 686984816 /nfs/dbraw/zinc/98/48/16/686984816.db2.gz XIKOXBBUWUIHBC-FQEVSTJZSA-N 2 1 339.483 2.207 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2ccccc2)CC1 ZINC000985476956 686984822 /nfs/dbraw/zinc/98/48/22/686984822.db2.gz XIKOXBBUWUIHBC-FQEVSTJZSA-N 2 1 339.483 2.207 20 30 EEEDMP CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001029767039 687035355 /nfs/dbraw/zinc/03/53/55/687035355.db2.gz KSFVSROZUIQERW-VQIMIIECSA-N 2 1 342.487 2.179 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577233 693179912 /nfs/dbraw/zinc/17/99/12/693179912.db2.gz GZPHLFRBJRTHDD-HNNXBMFYSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577233 693179915 /nfs/dbraw/zinc/17/99/15/693179915.db2.gz GZPHLFRBJRTHDD-HNNXBMFYSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577233 693179918 /nfs/dbraw/zinc/17/99/18/693179918.db2.gz GZPHLFRBJRTHDD-HNNXBMFYSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577233 693179921 /nfs/dbraw/zinc/17/99/21/693179921.db2.gz GZPHLFRBJRTHDD-HNNXBMFYSA-N 2 1 327.900 2.394 20 30 EEEDMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccccc1C#N ZINC001482532653 1186535976 /nfs/dbraw/zinc/53/59/76/1186535976.db2.gz HJOCLFAZEXJFON-LJQANCHMSA-N 2 1 342.487 2.273 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001076162002 1188757003 /nfs/dbraw/zinc/75/70/03/1188757003.db2.gz YSKNKRBZWZUAKR-YESZJQIVSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076162002 1188757007 /nfs/dbraw/zinc/75/70/07/1188757007.db2.gz YSKNKRBZWZUAKR-YESZJQIVSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076162002 1188757008 /nfs/dbraw/zinc/75/70/08/1188757008.db2.gz YSKNKRBZWZUAKR-YESZJQIVSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076162002 1188757010 /nfs/dbraw/zinc/75/70/10/1188757010.db2.gz YSKNKRBZWZUAKR-YESZJQIVSA-N 2 1 339.911 2.394 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033414828 1194534294 /nfs/dbraw/zinc/53/42/94/1194534294.db2.gz FFVPELLPDJVHIS-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033414828 1194534296 /nfs/dbraw/zinc/53/42/96/1194534296.db2.gz FFVPELLPDJVHIS-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033414828 1194534301 /nfs/dbraw/zinc/53/43/01/1194534301.db2.gz FFVPELLPDJVHIS-VQIMIIECSA-N 2 1 340.471 2.075 20 30 EEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033442656 1194574325 /nfs/dbraw/zinc/57/43/25/1194574325.db2.gz PYGIRTAVWDPLOW-OTWHNJEPSA-N 2 1 327.472 2.051 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033955322 1195557193 /nfs/dbraw/zinc/55/71/93/1195557193.db2.gz YIBLIJPDWVIRAO-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033955322 1195557194 /nfs/dbraw/zinc/55/71/94/1195557194.db2.gz YIBLIJPDWVIRAO-INIZCTEOSA-N 2 1 346.475 2.383 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001034364050 1196152873 /nfs/dbraw/zinc/15/28/73/1196152873.db2.gz HWRQZBAUIPDKLM-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364050 1196152876 /nfs/dbraw/zinc/15/28/76/1196152876.db2.gz HWRQZBAUIPDKLM-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364050 1196152880 /nfs/dbraw/zinc/15/28/80/1196152880.db2.gz HWRQZBAUIPDKLM-IRXDYDNUSA-N 2 1 330.476 2.301 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202226 1199446189 /nfs/dbraw/zinc/44/61/89/1199446189.db2.gz DYGGRLMYFDIXAI-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)c2occc2CN(C)C)CC[C@H]1C ZINC001132264785 1199502273 /nfs/dbraw/zinc/50/22/73/1199502273.db2.gz BLCSFWSIOGLTSY-NVXWUHKLSA-N 2 1 349.475 2.127 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132264785 1199502277 /nfs/dbraw/zinc/50/22/77/1199502277.db2.gz BLCSFWSIOGLTSY-NVXWUHKLSA-N 2 1 349.475 2.127 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001132274051 1199521496 /nfs/dbraw/zinc/52/14/96/1199521496.db2.gz NVXRRCCWFFAMMR-LPHOPBHVSA-N 2 1 345.462 2.098 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001132274051 1199521499 /nfs/dbraw/zinc/52/14/99/1199521499.db2.gz NVXRRCCWFFAMMR-LPHOPBHVSA-N 2 1 345.462 2.098 20 30 EEEDMP C=CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132348889 1199612320 /nfs/dbraw/zinc/61/23/20/1199612320.db2.gz UVXGLBNLZBDADV-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132348889 1199612321 /nfs/dbraw/zinc/61/23/21/1199612321.db2.gz UVXGLBNLZBDADV-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133141139 1200493709 /nfs/dbraw/zinc/49/37/09/1200493709.db2.gz AOKYGRXSYHKTHW-IRXDYDNUSA-N 2 1 330.476 2.104 20 30 EEEDMP CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3cncc(C#N)c3)C2)C1 ZINC001275027826 1205236813 /nfs/dbraw/zinc/23/68/13/1205236813.db2.gz REPDRILUGXPWBF-FQEVSTJZSA-N 2 1 341.503 2.193 20 30 EEEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001275027826 1205236815 /nfs/dbraw/zinc/23/68/15/1205236815.db2.gz REPDRILUGXPWBF-FQEVSTJZSA-N 2 1 341.503 2.193 20 30 EEEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001275290428 1205299616 /nfs/dbraw/zinc/29/96/16/1205299616.db2.gz LBFNYMXZXWNMRP-UHFFFAOYSA-N 2 1 343.471 2.467 20 30 EEEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001275290428 1205299617 /nfs/dbraw/zinc/29/96/17/1205299617.db2.gz LBFNYMXZXWNMRP-UHFFFAOYSA-N 2 1 343.471 2.467 20 30 EEEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437736 1207380843 /nfs/dbraw/zinc/38/08/43/1207380843.db2.gz AMMXFBNQESSJOV-PBIMCDDKSA-N 2 1 346.519 2.189 20 30 EEEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437736 1207380845 /nfs/dbraw/zinc/38/08/45/1207380845.db2.gz AMMXFBNQESSJOV-PBIMCDDKSA-N 2 1 346.519 2.189 20 30 EEEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437736 1207380847 /nfs/dbraw/zinc/38/08/47/1207380847.db2.gz AMMXFBNQESSJOV-PBIMCDDKSA-N 2 1 346.519 2.189 20 30 EEEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437736 1207380850 /nfs/dbraw/zinc/38/08/50/1207380850.db2.gz AMMXFBNQESSJOV-PBIMCDDKSA-N 2 1 346.519 2.189 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948778990 1209370952 /nfs/dbraw/zinc/37/09/52/1209370952.db2.gz HKVFINDSKRAPTC-GOEBONIOSA-N 2 1 327.900 2.394 20 30 EEEDMP CC#CCN1CCC(N(C)C(=O)CN2CCc3sccc3C2)CC1 ZINC001006439027 1209465923 /nfs/dbraw/zinc/46/59/23/1209465923.db2.gz NGWYCIOCGOPBCM-UHFFFAOYSA-N 2 1 345.512 2.052 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(Br)c1 ZINC000303768703 1213903346 /nfs/dbraw/zinc/90/33/46/1213903346.db2.gz ANWJFFFVOIWRBV-CQSZACIVSA-N 2 1 339.281 2.338 20 30 EEEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000303881101 1213919388 /nfs/dbraw/zinc/91/93/88/1213919388.db2.gz HKFPKVUENBXZOT-HZPDHXFCSA-N 2 1 332.492 2.358 20 30 EEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603035 1215248479 /nfs/dbraw/zinc/24/84/79/1215248479.db2.gz LUVLUULLVWGJRP-ROUUACIJSA-N 2 1 333.520 2.465 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000304806855 1216106909 /nfs/dbraw/zinc/10/69/09/1216106909.db2.gz SOUUCKCCNRANDH-UKRRQHHQSA-N 2 1 338.883 2.496 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC000959922800 1216233344 /nfs/dbraw/zinc/23/33/44/1216233344.db2.gz DHYMZGBYCRAUST-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC000960290063 1216475470 /nfs/dbraw/zinc/47/54/70/1216475470.db2.gz OLRFVIWXJNYGMJ-LJIGWXMPSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960290063 1216475476 /nfs/dbraw/zinc/47/54/76/1216475476.db2.gz OLRFVIWXJNYGMJ-LJIGWXMPSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960290063 1216475479 /nfs/dbraw/zinc/47/54/79/1216475479.db2.gz OLRFVIWXJNYGMJ-LJIGWXMPSA-N 2 1 325.884 2.048 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960290063 1216475486 /nfs/dbraw/zinc/47/54/86/1216475486.db2.gz OLRFVIWXJNYGMJ-LJIGWXMPSA-N 2 1 325.884 2.048 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC000960717080 1216829106 /nfs/dbraw/zinc/82/91/06/1216829106.db2.gz KNUJSABPEAPJFQ-RTBURBONSA-N 2 1 342.487 2.321 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961206472 1217089075 /nfs/dbraw/zinc/08/90/75/1217089075.db2.gz DVLIUIKAYKMXEC-SJORKVTESA-N 2 1 336.439 2.142 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961226621 1217097656 /nfs/dbraw/zinc/09/76/56/1217097656.db2.gz BXTLPGCCWGFIDT-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961226621 1217097658 /nfs/dbraw/zinc/09/76/58/1217097658.db2.gz BXTLPGCCWGFIDT-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961226621 1217097661 /nfs/dbraw/zinc/09/76/61/1217097661.db2.gz BXTLPGCCWGFIDT-RTBURBONSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CC[N@H+](C(C)C)C3)C2)CC1 ZINC000961293795 1217132213 /nfs/dbraw/zinc/13/22/13/1217132213.db2.gz QZMCGYYARIUGCY-UXHICEINSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961375757 1217164069 /nfs/dbraw/zinc/16/40/69/1217164069.db2.gz QIFIWCDQYZHTLH-PMACEKPBSA-N 2 1 345.531 2.301 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376816 1217164547 /nfs/dbraw/zinc/16/45/47/1217164547.db2.gz DJDMOWHSWNUZGM-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961376816 1217164550 /nfs/dbraw/zinc/16/45/50/1217164550.db2.gz DJDMOWHSWNUZGM-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376816 1217164552 /nfs/dbraw/zinc/16/45/52/1217164552.db2.gz DJDMOWHSWNUZGM-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000961384179 1217168097 /nfs/dbraw/zinc/16/80/97/1217168097.db2.gz NVLPGACETRJRBY-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961410269 1217179233 /nfs/dbraw/zinc/17/92/33/1217179233.db2.gz GFGICTPXYGCLDC-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961410269 1217179235 /nfs/dbraw/zinc/17/92/35/1217179235.db2.gz GFGICTPXYGCLDC-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961410269 1217179237 /nfs/dbraw/zinc/17/92/37/1217179237.db2.gz GFGICTPXYGCLDC-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961440139 1217191111 /nfs/dbraw/zinc/19/11/11/1217191111.db2.gz JYTQYOUTYXFJKR-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961440139 1217191113 /nfs/dbraw/zinc/19/11/13/1217191113.db2.gz JYTQYOUTYXFJKR-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961440139 1217191114 /nfs/dbraw/zinc/19/11/14/1217191114.db2.gz JYTQYOUTYXFJKR-MOPGFXCFSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384291 1217580854 /nfs/dbraw/zinc/58/08/54/1217580854.db2.gz SSEDBMYZBYUWGF-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1CC ZINC001037859231 1219615797 /nfs/dbraw/zinc/61/57/97/1219615797.db2.gz IMRICSDFLYYHKR-GOEBONIOSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000968947083 1221693932 /nfs/dbraw/zinc/69/39/32/1221693932.db2.gz LDQTXZYIYXTZCG-KRWDZBQOSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020250390 1229583332 /nfs/dbraw/zinc/58/33/32/1229583332.db2.gz FAJOCFLQIJQKNQ-FHWLQOOXSA-N 2 1 329.488 2.211 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020250390 1229583334 /nfs/dbraw/zinc/58/33/34/1229583334.db2.gz FAJOCFLQIJQKNQ-FHWLQOOXSA-N 2 1 329.488 2.211 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205123 1230431403 /nfs/dbraw/zinc/43/14/03/1230431403.db2.gz KUINWGLNBOPNKE-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205123 1230431405 /nfs/dbraw/zinc/43/14/05/1230431405.db2.gz KUINWGLNBOPNKE-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205123 1230431407 /nfs/dbraw/zinc/43/14/07/1230431407.db2.gz KUINWGLNBOPNKE-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039235855 1230468673 /nfs/dbraw/zinc/46/86/73/1230468673.db2.gz RTYNXDDEAAMTNB-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039301437 1230516751 /nfs/dbraw/zinc/51/67/51/1230516751.db2.gz IPQZIBHREYJILL-XVLXNVKGSA-N 2 1 331.504 2.384 20 30 EEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001040295721 1231156688 /nfs/dbraw/zinc/15/66/88/1231156688.db2.gz ICNWKBDTDKORFK-FQEVSTJZSA-N 2 1 342.487 2.262 20 30 EEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC001040295721 1231156689 /nfs/dbraw/zinc/15/66/89/1231156689.db2.gz ICNWKBDTDKORFK-FQEVSTJZSA-N 2 1 342.487 2.262 20 30 EEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040722703 1231348560 /nfs/dbraw/zinc/34/85/60/1231348560.db2.gz DRMKTZZBLSBXHA-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040757389 1231359688 /nfs/dbraw/zinc/35/96/88/1231359688.db2.gz RRMJUWYJROOURU-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001041429429 1231543632 /nfs/dbraw/zinc/54/36/32/1231543632.db2.gz VMIAFVJJKLKIKP-LJQANCHMSA-N 2 1 346.475 2.240 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001041429429 1231543634 /nfs/dbraw/zinc/54/36/34/1231543634.db2.gz VMIAFVJJKLKIKP-LJQANCHMSA-N 2 1 346.475 2.240 20 30 EEEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001041677383 1231647004 /nfs/dbraw/zinc/64/70/04/1231647004.db2.gz BJOHAHIUYRDQNQ-RTBURBONSA-N 2 1 337.483 2.309 20 30 EEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677383 1231647006 /nfs/dbraw/zinc/64/70/06/1231647006.db2.gz BJOHAHIUYRDQNQ-RTBURBONSA-N 2 1 337.483 2.309 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677383 1231647008 /nfs/dbraw/zinc/64/70/08/1231647008.db2.gz BJOHAHIUYRDQNQ-RTBURBONSA-N 2 1 337.483 2.309 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001041696034 1231651002 /nfs/dbraw/zinc/65/10/02/1231651002.db2.gz KEBWGUXPALKJMT-RKVPGOIHSA-N 2 1 348.878 2.201 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001041696034 1231651003 /nfs/dbraw/zinc/65/10/03/1231651003.db2.gz KEBWGUXPALKJMT-RKVPGOIHSA-N 2 1 348.878 2.201 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041723339 1231662012 /nfs/dbraw/zinc/66/20/12/1231662012.db2.gz FYZBHBNFMLEOQF-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041723339 1231662015 /nfs/dbraw/zinc/66/20/15/1231662015.db2.gz FYZBHBNFMLEOQF-FQEVSTJZSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CC4CCC4)[C@H]3C2)CC1 ZINC001042367609 1232049751 /nfs/dbraw/zinc/04/97/51/1232049751.db2.gz ITAJCGSTYKOAPN-ICSRJNTNSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCCC)[C@H]3C2)CC1 ZINC001042368220 1232050153 /nfs/dbraw/zinc/05/01/53/1232050153.db2.gz OVKZJCWIJQICNN-MJGOQNOKSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047241156 1235727017 /nfs/dbraw/zinc/72/70/17/1235727017.db2.gz LTINOMUCZDCTPC-YZGWKJHDSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047243388 1235732489 /nfs/dbraw/zinc/73/24/89/1235732489.db2.gz KKBKZWSWRPUGST-GOSISDBHSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CC=C)CC2)C1 ZINC001047244469 1235736464 /nfs/dbraw/zinc/73/64/64/1235736464.db2.gz SHRYGNUUJPJPAB-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CC=C)CC2)C1 ZINC001047244469 1235736470 /nfs/dbraw/zinc/73/64/70/1235736470.db2.gz SHRYGNUUJPJPAB-UXHICEINSA-N 2 1 343.515 2.221 20 30 EEEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001047265021 1235777297 /nfs/dbraw/zinc/77/72/97/1235777297.db2.gz OYAJYBDFHFUNRY-SFHVURJKSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001048533291 1237895856 /nfs/dbraw/zinc/89/58/56/1237895856.db2.gz YPNMGKQXUBKICD-XMTFNYHQSA-N 2 1 340.471 2.143 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001048533291 1237895866 /nfs/dbraw/zinc/89/58/66/1237895866.db2.gz YPNMGKQXUBKICD-XMTFNYHQSA-N 2 1 340.471 2.143 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049472793 1241052570 /nfs/dbraw/zinc/05/25/70/1241052570.db2.gz HCRCRALNZRBRMU-MISYRCLQSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001049472793 1241052579 /nfs/dbraw/zinc/05/25/79/1241052579.db2.gz HCRCRALNZRBRMU-MISYRCLQSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001049472793 1241052587 /nfs/dbraw/zinc/05/25/87/1241052587.db2.gz HCRCRALNZRBRMU-MISYRCLQSA-N 2 1 343.515 2.340 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001258205 1241927776 /nfs/dbraw/zinc/92/77/76/1241927776.db2.gz ZOZJJGCDNLRXAW-UHFFFAOYSA-N 2 1 325.456 2.133 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001261066 1241933499 /nfs/dbraw/zinc/93/34/99/1241933499.db2.gz YGPYCQDXCWXOBD-UHFFFAOYSA-N 2 1 325.456 2.133 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC=C(C)C)CC2)CC1 ZINC001001471164 1242334640 /nfs/dbraw/zinc/33/46/40/1242334640.db2.gz FVWOOPMNCVCFLJ-UHFFFAOYSA-N 2 1 329.488 2.046 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049845359 1242401113 /nfs/dbraw/zinc/40/11/13/1242401113.db2.gz XXGQICYYJVKYPI-WOJBJXKFSA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073461605 1242505072 /nfs/dbraw/zinc/50/50/72/1242505072.db2.gz GPZWPSBBFHKNQP-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049914119 1242681249 /nfs/dbraw/zinc/68/12/49/1242681249.db2.gz MUJKLAAANFMPHE-VAMGGRTRSA-N 2 1 339.483 2.378 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049914119 1242681260 /nfs/dbraw/zinc/68/12/60/1242681260.db2.gz MUJKLAAANFMPHE-VAMGGRTRSA-N 2 1 339.483 2.378 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919842 1242711858 /nfs/dbraw/zinc/71/18/58/1242711858.db2.gz PSHWVHKOABACKN-WOJBJXKFSA-N 2 1 339.483 2.450 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](C[C@@H](F)CC)C[C@H]32)CC1 ZINC001050208122 1243123284 /nfs/dbraw/zinc/12/32/84/1243123284.db2.gz CAXHYQVKZOLNSF-GBESFXJTSA-N 2 1 349.494 2.003 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCC3)CC2)CC1 ZINC001052953731 1245544584 /nfs/dbraw/zinc/54/45/84/1245544584.db2.gz GYEMCFGGASEOEO-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@]2(C)C1 ZINC001101310603 1245642853 /nfs/dbraw/zinc/64/28/53/1245642853.db2.gz OJZXXSSLKHGKJS-MJGOQNOKSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029535 1245712371 /nfs/dbraw/zinc/71/23/71/1245712371.db2.gz SRCXQDANJBIREA-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029535 1245712376 /nfs/dbraw/zinc/71/23/76/1245712376.db2.gz SRCXQDANJBIREA-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029535 1245712382 /nfs/dbraw/zinc/71/23/82/1245712382.db2.gz SRCXQDANJBIREA-QZTJIDSGSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053034641 1245729246 /nfs/dbraw/zinc/72/92/46/1245729246.db2.gz XQRAJDRWJGQYBD-ZWKOTPCHSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001053034641 1245729252 /nfs/dbraw/zinc/72/92/52/1245729252.db2.gz XQRAJDRWJGQYBD-ZWKOTPCHSA-N 2 1 330.476 2.328 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053042204 1245750482 /nfs/dbraw/zinc/75/04/82/1245750482.db2.gz ADYXBCDPGYSQIM-UXHICEINSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108021 1245928398 /nfs/dbraw/zinc/92/83/98/1245928398.db2.gz ONGSTWWIVMUKEX-RBUKOAKNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984702 1246280404 /nfs/dbraw/zinc/28/04/04/1246280404.db2.gz HNIKVGQBXXQAIE-BRWVUGGUSA-N 2 1 330.476 2.104 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984702 1246280409 /nfs/dbraw/zinc/28/04/09/1246280409.db2.gz HNIKVGQBXXQAIE-BRWVUGGUSA-N 2 1 330.476 2.104 20 30 EEEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)CO2 ZINC001053980120 1247102248 /nfs/dbraw/zinc/10/22/48/1247102248.db2.gz HPHXGFFMPGIATE-ZWKOTPCHSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)CO2 ZINC001053980120 1247102253 /nfs/dbraw/zinc/10/22/53/1247102253.db2.gz HPHXGFFMPGIATE-ZWKOTPCHSA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042331 1247204783 /nfs/dbraw/zinc/20/47/83/1247204783.db2.gz VYBZECSEXFZRRH-LSTHTHJFSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042331 1247204797 /nfs/dbraw/zinc/20/47/97/1247204797.db2.gz VYBZECSEXFZRRH-LSTHTHJFSA-N 2 1 341.499 2.446 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042331 1247204805 /nfs/dbraw/zinc/20/48/05/1247204805.db2.gz VYBZECSEXFZRRH-LSTHTHJFSA-N 2 1 341.499 2.446 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCCC)C2)C1 ZINC001054147371 1247523449 /nfs/dbraw/zinc/52/34/49/1247523449.db2.gz POZMUORWPUKGGK-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCC)C2)C1 ZINC001054147371 1247523458 /nfs/dbraw/zinc/52/34/58/1247523458.db2.gz POZMUORWPUKGGK-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCCC)C2)C1 ZINC001054147371 1247523467 /nfs/dbraw/zinc/52/34/67/1247523467.db2.gz POZMUORWPUKGGK-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCCC)C2)C1 ZINC001054147371 1247523477 /nfs/dbraw/zinc/52/34/77/1247523477.db2.gz POZMUORWPUKGGK-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001071243834 1254088285 /nfs/dbraw/zinc/08/82/85/1254088285.db2.gz MAHWBBBCAJONJP-AZUAARDMSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C(F)(F)F ZINC001099275231 1258053494 /nfs/dbraw/zinc/05/34/94/1258053494.db2.gz VTMOSRCNSLKZDY-KFWWJZLASA-N 2 1 347.425 2.272 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CCC)C1 ZINC001099552898 1258202005 /nfs/dbraw/zinc/20/20/05/1258202005.db2.gz QBZJNOUJPCANSU-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099552898 1258202011 /nfs/dbraw/zinc/20/20/11/1258202011.db2.gz QBZJNOUJPCANSU-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099552898 1258202013 /nfs/dbraw/zinc/20/20/13/1258202013.db2.gz QBZJNOUJPCANSU-VJANTYMQSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191988630 1281734676 /nfs/dbraw/zinc/73/46/76/1281734676.db2.gz MJRDOHNCDWBOCZ-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191988630 1281734680 /nfs/dbraw/zinc/73/46/80/1281734680.db2.gz MJRDOHNCDWBOCZ-SJLPKXTDSA-N 2 1 330.476 2.253 20 30 EEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCO1 ZINC001201238945 1289373207 /nfs/dbraw/zinc/37/32/07/1289373207.db2.gz DUQXAJOHLDYKDU-OALUTQOASA-N 2 1 349.519 2.177 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211175677 1295728285 /nfs/dbraw/zinc/72/82/85/1295728285.db2.gz AGHBMDLBNSBEEL-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211175677 1295728294 /nfs/dbraw/zinc/72/82/94/1295728294.db2.gz AGHBMDLBNSBEEL-ZWKOTPCHSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001220868283 1298566668 /nfs/dbraw/zinc/56/66/68/1298566668.db2.gz GABOWZOMBMQLEH-FHWLQOOXSA-N 2 1 327.472 2.289 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001103099544 1302222369 /nfs/dbraw/zinc/22/23/69/1302222369.db2.gz QKXCZFLSBMTKHK-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001103099544 1302222378 /nfs/dbraw/zinc/22/23/78/1302222378.db2.gz QKXCZFLSBMTKHK-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001103099544 1302222388 /nfs/dbraw/zinc/22/23/88/1302222388.db2.gz QKXCZFLSBMTKHK-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001103099544 1302222398 /nfs/dbraw/zinc/22/23/98/1302222398.db2.gz QKXCZFLSBMTKHK-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001103271307 1302622050 /nfs/dbraw/zinc/62/20/50/1302622050.db2.gz IPRODKONBPLDAV-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755850 1303300393 /nfs/dbraw/zinc/30/03/93/1303300393.db2.gz QGBBKODXKXJZKK-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(=C)C)C1 ZINC001112404067 1304526087 /nfs/dbraw/zinc/52/60/87/1304526087.db2.gz DUBYQUBBAIAIFY-ZJOUEHCJSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(=C)C)C1 ZINC001112404067 1304526095 /nfs/dbraw/zinc/52/60/95/1304526095.db2.gz DUBYQUBBAIAIFY-ZJOUEHCJSA-N 2 1 343.515 2.269 20 30 EEEDMP CC(=O)Nc1ccc(C[NH+]2CC3(C2)CC[NH+](CCC#N)CC3)cc1 ZINC001277939042 1305186152 /nfs/dbraw/zinc/18/61/52/1305186152.db2.gz LZMMEKAMHYFEJG-UHFFFAOYSA-N 2 1 326.444 2.456 20 30 EEEDMP COC(=O)[C@](C)([NH3+])Cc1cccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240360281 1309312039 /nfs/dbraw/zinc/31/20/39/1309312039.db2.gz AJXNTKYRYNFFQO-OAQYLSRUSA-N 2 1 349.434 2.345 20 30 EEEDMP CCCCCCCCC[C@@H](C)[NH2+]CCS(=O)(=O)N1CC[NH2+]CC1 ZINC001246098539 1310236890 /nfs/dbraw/zinc/23/68/90/1310236890.db2.gz CCGJHCGUVFMPIJ-QGZVFWFLSA-N 2 1 347.569 2.340 20 30 EEEDMP C=CCC[NH+]1CCC(CCOC)(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001151402890 1316522286 /nfs/dbraw/zinc/52/22/86/1316522286.db2.gz NTCLCLAKSQVAAH-UHFFFAOYSA-N 2 1 339.524 2.282 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158290134 1319146828 /nfs/dbraw/zinc/14/68/28/1319146828.db2.gz YTUFAJPOMPPOSQ-RTBURBONSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952707 1320692519 /nfs/dbraw/zinc/69/25/19/1320692519.db2.gz JQFDIVZKPGVTNT-LJQANCHMSA-N 2 1 331.504 2.269 20 30 EEEDMP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001162849925 1320973466 /nfs/dbraw/zinc/97/34/66/1320973466.db2.gz OFTQIASIGPQVIO-FQEVSTJZSA-N 2 1 341.499 2.155 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001164450181 1321382633 /nfs/dbraw/zinc/38/26/33/1321382633.db2.gz ZXESGCSBZCUEEW-AWEZNQCLSA-N 2 1 346.313 2.113 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813292 1321965512 /nfs/dbraw/zinc/96/55/12/1321965512.db2.gz CASIOQZPANLYNX-RTBURBONSA-N 2 1 339.483 2.159 20 30 EEEDMP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203813292 1321965514 /nfs/dbraw/zinc/96/55/14/1321965514.db2.gz CASIOQZPANLYNX-RTBURBONSA-N 2 1 339.483 2.159 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC001203816478 1321967627 /nfs/dbraw/zinc/96/76/27/1321967627.db2.gz XPUAHBPQAWRVHL-MOPGFXCFSA-N 2 1 339.483 2.159 20 30 EEEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C12CCC2 ZINC001203816478 1321967629 /nfs/dbraw/zinc/96/76/29/1321967629.db2.gz XPUAHBPQAWRVHL-MOPGFXCFSA-N 2 1 339.483 2.159 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206474797 1323505244 /nfs/dbraw/zinc/50/52/44/1323505244.db2.gz KIEWOTISKSCBQP-UHFFFAOYSA-N 2 1 330.476 2.248 20 30 EEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049876 1324289058 /nfs/dbraw/zinc/28/90/58/1324289058.db2.gz RRVUELFWNIFHJL-ZWKOTPCHSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331275 1324430650 /nfs/dbraw/zinc/43/06/50/1324430650.db2.gz PBNKEYJGQLUTLO-ZWKOTPCHSA-N 2 1 337.508 2.033 20 30 EEEDMP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001353580725 1338291882 /nfs/dbraw/zinc/29/18/82/1338291882.db2.gz CSRLJYMLJALOBH-GOSISDBHSA-N 2 1 330.476 2.451 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CCCO1 ZINC001200548696 1338409372 /nfs/dbraw/zinc/40/93/72/1338409372.db2.gz VSRKEQAKPNPIOY-IAGOWNOFSA-N 2 1 348.491 2.180 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001388789893 1387708395 /nfs/dbraw/zinc/70/83/95/1387708395.db2.gz HMHJHLYXAMWOHA-CVEARBPZSA-N 2 1 341.927 2.497 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001388789893 1387708401 /nfs/dbraw/zinc/70/84/01/1387708401.db2.gz HMHJHLYXAMWOHA-CVEARBPZSA-N 2 1 341.927 2.497 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001388789893 1387708407 /nfs/dbraw/zinc/70/84/07/1387708407.db2.gz HMHJHLYXAMWOHA-CVEARBPZSA-N 2 1 341.927 2.497 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001388789893 1387708415 /nfs/dbraw/zinc/70/84/15/1387708415.db2.gz HMHJHLYXAMWOHA-CVEARBPZSA-N 2 1 341.927 2.497 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001193600303 1368465986 /nfs/dbraw/zinc/46/59/86/1368465986.db2.gz CEEYMPPKSMSYDL-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001193600303 1368465992 /nfs/dbraw/zinc/46/59/92/1368465992.db2.gz CEEYMPPKSMSYDL-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC001193600303 1368465997 /nfs/dbraw/zinc/46/59/97/1368465997.db2.gz CEEYMPPKSMSYDL-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC001193600303 1368466000 /nfs/dbraw/zinc/46/60/00/1368466000.db2.gz CEEYMPPKSMSYDL-IBGZPJMESA-N 2 1 342.487 2.323 20 30 EEEDMP C[C@H](C[N@H+](C)Cc1cc(C#N)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001375056392 1377322952 /nfs/dbraw/zinc/32/29/52/1377322952.db2.gz QSXIJPSWCZPHSX-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H](C[N@@H+](C)Cc1cc(C#N)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001375056392 1377322957 /nfs/dbraw/zinc/32/29/57/1377322957.db2.gz QSXIJPSWCZPHSX-CQSZACIVSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](C[N@H+](C)Cc1cc(C#N)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001375056387 1377323607 /nfs/dbraw/zinc/32/36/07/1377323607.db2.gz QSXIJPSWCZPHSX-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1cc(C#N)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001375056387 1377323611 /nfs/dbraw/zinc/32/36/11/1377323611.db2.gz QSXIJPSWCZPHSX-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccc(C#N)c1 ZINC001377488228 1379287734 /nfs/dbraw/zinc/28/77/34/1379287734.db2.gz YEHOKEGVDCOSEB-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cccc(C#N)c1 ZINC001377488228 1379287737 /nfs/dbraw/zinc/28/77/37/1379287737.db2.gz YEHOKEGVDCOSEB-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cccc(C#N)c1 ZINC001377488228 1379287740 /nfs/dbraw/zinc/28/77/40/1379287740.db2.gz YEHOKEGVDCOSEB-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC001377496224 1379298484 /nfs/dbraw/zinc/29/84/84/1379298484.db2.gz JZIGAUIOICCHFH-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC001377496224 1379298490 /nfs/dbraw/zinc/29/84/90/1379298490.db2.gz JZIGAUIOICCHFH-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC001377496224 1379298495 /nfs/dbraw/zinc/29/84/95/1379298495.db2.gz JZIGAUIOICCHFH-QGZVFWFLSA-N 2 1 342.487 2.228 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC001382518163 1382112555 /nfs/dbraw/zinc/11/25/55/1382112555.db2.gz HSCKETPTVJKGFH-HZPDHXFCSA-N 2 1 348.516 2.334 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001391335088 1389272874 /nfs/dbraw/zinc/27/28/74/1389272874.db2.gz GMEXXGKOPQGEBL-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001391335088 1389272885 /nfs/dbraw/zinc/27/28/85/1389272885.db2.gz GMEXXGKOPQGEBL-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001391335088 1389272896 /nfs/dbraw/zinc/27/28/96/1389272896.db2.gz GMEXXGKOPQGEBL-KRWDZBQOSA-N 2 1 342.487 2.228 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001752832704 1406459250 /nfs/dbraw/zinc/45/92/50/1406459250.db2.gz CDUOKQQLNCHMRN-HXUWFJFHSA-N 2 1 341.499 2.349 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC001753074358 1406666983 /nfs/dbraw/zinc/66/69/83/1406666983.db2.gz ISHJTASQOOVHTR-INIZCTEOSA-N 2 1 345.462 2.280 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001423650228 1400721253 /nfs/dbraw/zinc/72/12/53/1400721253.db2.gz ZDDKEIKLKCYZHJ-GOSISDBHSA-N 2 1 348.516 2.290 20 30 EEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001755161995 1407170107 /nfs/dbraw/zinc/17/01/07/1407170107.db2.gz PCWOUFUWRFROPM-CABCVRRESA-N 2 1 334.464 2.285 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001755161995 1407170110 /nfs/dbraw/zinc/17/01/10/1407170110.db2.gz PCWOUFUWRFROPM-CABCVRRESA-N 2 1 334.464 2.285 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001755592199 1407662865 /nfs/dbraw/zinc/66/28/65/1407662865.db2.gz ZFERELXGSZADKV-KDOFPFPSSA-N 2 1 347.528 2.399 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001755592199 1407662870 /nfs/dbraw/zinc/66/28/70/1407662870.db2.gz ZFERELXGSZADKV-KDOFPFPSSA-N 2 1 347.528 2.399 20 30 EEEDMP C[C@H]1[C@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001755655571 1407707512 /nfs/dbraw/zinc/70/75/12/1407707512.db2.gz XSJVXYCHKUZQLR-FXAWDEMLSA-N 2 1 339.483 2.101 20 30 EEEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001755721505 1407781526 /nfs/dbraw/zinc/78/15/26/1407781526.db2.gz BOGCSZSAFOEIEX-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP CC(C)N(CC[N@H+](C)CC#Cc1ccccc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001755815376 1407867372 /nfs/dbraw/zinc/86/73/72/1407867372.db2.gz JFCLYIONSMBKLI-HXUWFJFHSA-N 2 1 341.499 2.159 20 30 EEEDMP CC(C)N(CC[N@@H+](C)CC#Cc1ccccc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001755815376 1407867375 /nfs/dbraw/zinc/86/73/75/1407867375.db2.gz JFCLYIONSMBKLI-HXUWFJFHSA-N 2 1 341.499 2.159 20 30 EEEDMP CC(C)N(CC[NH+](C)CC#Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001755815376 1407867376 /nfs/dbraw/zinc/86/73/76/1407867376.db2.gz JFCLYIONSMBKLI-HXUWFJFHSA-N 2 1 341.499 2.159 20 30 EEEDMP CC(C)N(CC[NH+](C)CC#Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001755815376 1407867378 /nfs/dbraw/zinc/86/73/78/1407867378.db2.gz JFCLYIONSMBKLI-HXUWFJFHSA-N 2 1 341.499 2.159 20 30 EEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115537004 1411034867 /nfs/dbraw/zinc/03/48/67/1411034867.db2.gz RNQWCHZHLSQCCD-ROUUACIJSA-N 2 1 331.504 2.293 20 30 EEEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)s1 ZINC001168030030 782398724 /nfs/dbraw/zinc/39/87/24/782398724.db2.gz LVGWMDZXBKGKMM-PBHICJAKSA-N 2 1 346.500 2.233 20 30 EEEDMP C=CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001167242544 757559918 /nfs/dbraw/zinc/55/99/18/757559918.db2.gz CLAWLZPVZBRZOK-UHFFFAOYSA-N 2 1 329.488 2.223 20 30 EEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104290507 758124222 /nfs/dbraw/zinc/12/42/22/758124222.db2.gz AWYQFHXJBQGGEO-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001210789400 758131338 /nfs/dbraw/zinc/13/13/38/758131338.db2.gz OXWUOLYPFRAWNY-SFHVURJKSA-N 2 1 346.450 2.120 20 30 EEEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461420 760930026 /nfs/dbraw/zinc/93/00/26/760930026.db2.gz GRQOEDVCSRVCMM-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461420 760930030 /nfs/dbraw/zinc/93/00/30/760930030.db2.gz GRQOEDVCSRVCMM-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461420 760930035 /nfs/dbraw/zinc/93/00/35/760930035.db2.gz GRQOEDVCSRVCMM-HKUYNNGSSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942521334 782613640 /nfs/dbraw/zinc/61/36/40/782613640.db2.gz TZLCQFUCTWZLEY-JKSUJKDBSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942521334 782613644 /nfs/dbraw/zinc/61/36/44/782613644.db2.gz TZLCQFUCTWZLEY-JKSUJKDBSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530101 782631785 /nfs/dbraw/zinc/63/17/85/782631785.db2.gz PESQVZNZHMTDJU-LPHOPBHVSA-N 2 1 329.488 2.417 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070937 768841486 /nfs/dbraw/zinc/84/14/86/768841486.db2.gz LGAGNFRJWOKTRP-MGPQQGTHSA-N 2 1 333.398 2.026 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527621 770118734 /nfs/dbraw/zinc/11/87/34/770118734.db2.gz RFGICFCMJAREMJ-SFHVURJKSA-N 2 1 333.520 2.348 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129700 782949626 /nfs/dbraw/zinc/94/96/26/782949626.db2.gz AYDLBIRVSAKNJD-OTWHNJEPSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942718887 783049614 /nfs/dbraw/zinc/04/96/14/783049614.db2.gz DKAGGCNSWCFAOD-QFBILLFUSA-N 2 1 329.488 2.417 20 30 EEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089638420 773644128 /nfs/dbraw/zinc/64/41/28/773644128.db2.gz BRZMOPDRNULBPN-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638420 773644131 /nfs/dbraw/zinc/64/41/31/773644131.db2.gz BRZMOPDRNULBPN-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638420 773644135 /nfs/dbraw/zinc/64/41/35/773644135.db2.gz BRZMOPDRNULBPN-MSOLQXFVSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089662658 774066471 /nfs/dbraw/zinc/06/64/71/774066471.db2.gz FTUKOEXKOOBJEC-ZWKOTPCHSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001089662658 774066479 /nfs/dbraw/zinc/06/64/79/774066479.db2.gz FTUKOEXKOOBJEC-ZWKOTPCHSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089662658 774066488 /nfs/dbraw/zinc/06/64/88/774066488.db2.gz FTUKOEXKOOBJEC-ZWKOTPCHSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089662658 774066494 /nfs/dbraw/zinc/06/64/94/774066494.db2.gz FTUKOEXKOOBJEC-ZWKOTPCHSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089662658 774066501 /nfs/dbraw/zinc/06/65/01/774066501.db2.gz FTUKOEXKOOBJEC-ZWKOTPCHSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664519 774083445 /nfs/dbraw/zinc/08/34/45/774083445.db2.gz MAQIPIAUSLMRKS-QGZVFWFLSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980212172 774103444 /nfs/dbraw/zinc/10/34/44/774103444.db2.gz IGEBEGLMKULNAT-HRCADAONSA-N 2 1 328.460 2.164 20 30 EEEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171247814 790463773 /nfs/dbraw/zinc/46/37/73/790463773.db2.gz OMZWDAGHOHYDBO-SJORKVTESA-N 2 1 348.491 2.228 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@H]12 ZINC000991786761 790495257 /nfs/dbraw/zinc/49/52/57/790495257.db2.gz SPPMACXBLORUCZ-ICSRJNTNSA-N 2 1 349.438 2.017 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000981778588 778183493 /nfs/dbraw/zinc/18/34/93/778183493.db2.gz OHLGFVTVINLRQO-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000981778588 778183495 /nfs/dbraw/zinc/18/34/95/778183495.db2.gz OHLGFVTVINLRQO-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778588 778183500 /nfs/dbraw/zinc/18/35/00/778183500.db2.gz OHLGFVTVINLRQO-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778588 778183504 /nfs/dbraw/zinc/18/35/04/778183504.db2.gz OHLGFVTVINLRQO-JKSUJKDBSA-N 2 1 339.911 2.394 20 30 EEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000981964056 778693494 /nfs/dbraw/zinc/69/34/94/778693494.db2.gz UHIJOHNEEBRWGP-UHFFFAOYSA-N 2 1 346.475 2.385 20 30 EEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000981964056 778693496 /nfs/dbraw/zinc/69/34/96/778693496.db2.gz UHIJOHNEEBRWGP-UHFFFAOYSA-N 2 1 346.475 2.385 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982117038 779127978 /nfs/dbraw/zinc/12/79/78/779127978.db2.gz XWMDWNCMAXIPMN-MSOLQXFVSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](C[C@@H](C)CC)C3)CC1 ZINC000982162587 779182448 /nfs/dbraw/zinc/18/24/48/779182448.db2.gz VQQLLANEUUCIJJ-SFHVURJKSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163749 779182840 /nfs/dbraw/zinc/18/28/40/779182840.db2.gz RUUMUNZVPYFWAS-IBGZPJMESA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306257 779659032 /nfs/dbraw/zinc/65/90/32/779659032.db2.gz OSIWPRPLCFVPRD-JYAXBFRTSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C[C@@]2(C)C1 ZINC000982306257 779659036 /nfs/dbraw/zinc/65/90/36/779659036.db2.gz OSIWPRPLCFVPRD-JYAXBFRTSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@@]2(C)C1 ZINC000982306257 779659038 /nfs/dbraw/zinc/65/90/38/779659038.db2.gz OSIWPRPLCFVPRD-JYAXBFRTSA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396100 781909254 /nfs/dbraw/zinc/90/92/54/781909254.db2.gz IEGIECOCCJWGRX-IBGZPJMESA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396100 781909257 /nfs/dbraw/zinc/90/92/57/781909257.db2.gz IEGIECOCCJWGRX-IBGZPJMESA-N 2 1 331.504 2.053 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396100 781909262 /nfs/dbraw/zinc/90/92/62/781909262.db2.gz IEGIECOCCJWGRX-IBGZPJMESA-N 2 1 331.504 2.053 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135975658 784923243 /nfs/dbraw/zinc/92/32/43/784923243.db2.gz ADZPAARTEOJPJY-CVEARBPZSA-N 2 1 330.476 2.273 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135976826 784926838 /nfs/dbraw/zinc/92/68/38/784926838.db2.gz OEYPMJOFEQCANC-CABCVRRESA-N 2 1 348.466 2.412 20 30 EEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035705522 784986492 /nfs/dbraw/zinc/98/64/92/784986492.db2.gz DYWGJIQIRTVVEB-ZWKOTPCHSA-N 2 1 331.504 2.361 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC000996311702 786250702 /nfs/dbraw/zinc/25/07/02/786250702.db2.gz UALADVVNLWXYSD-DOTOQJQBSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC000996311704 786251112 /nfs/dbraw/zinc/25/11/12/786251112.db2.gz UALADVVNLWXYSD-RDJZCZTQSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996478687 786434365 /nfs/dbraw/zinc/43/43/65/786434365.db2.gz TUQQHGAUVRLXEI-GOEBONIOSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107564117 787663288 /nfs/dbraw/zinc/66/32/88/787663288.db2.gz JBXLZTCIVXFIEN-VQIMIIECSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107564117 787663294 /nfs/dbraw/zinc/66/32/94/787663294.db2.gz JBXLZTCIVXFIEN-VQIMIIECSA-N 2 1 328.460 2.001 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001107614554 787914108 /nfs/dbraw/zinc/91/41/08/787914108.db2.gz FUBGKGLDSURFPM-NVXWUHKLSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614554 787914117 /nfs/dbraw/zinc/91/41/17/787914117.db2.gz FUBGKGLDSURFPM-NVXWUHKLSA-N 2 1 327.900 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614554 787914124 /nfs/dbraw/zinc/91/41/24/787914124.db2.gz FUBGKGLDSURFPM-NVXWUHKLSA-N 2 1 327.900 2.442 20 30 EEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(NCCC)cc(C)[nH+]1 ZINC001171068680 788309426 /nfs/dbraw/zinc/30/94/26/788309426.db2.gz QWYBBMSQEDXCIH-AWEZNQCLSA-N 2 1 335.452 2.246 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001030031473 789099555 /nfs/dbraw/zinc/09/95/55/789099555.db2.gz OKCQLSUEGLAMCA-IHPCNDPISA-N 2 1 339.483 2.426 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC000997148899 789139347 /nfs/dbraw/zinc/13/93/47/789139347.db2.gz LFOWWNICEVCXHM-NXHRZFHOSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC000997148899 789139353 /nfs/dbraw/zinc/13/93/53/789139353.db2.gz LFOWWNICEVCXHM-NXHRZFHOSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C/C=C\Cl)CC1 ZINC000997150345 789168225 /nfs/dbraw/zinc/16/82/25/789168225.db2.gz XIEIFSZEXSCFLD-RDQHTGABSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C/C=C\Cl)CC1 ZINC000997150345 789168229 /nfs/dbraw/zinc/16/82/29/789168229.db2.gz XIEIFSZEXSCFLD-RDQHTGABSA-N 2 1 337.895 2.053 20 30 EEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2CC[NH3+])c(OC)c1 ZINC000923354054 789433570 /nfs/dbraw/zinc/43/35/70/789433570.db2.gz PWFWRAJQLQIKTO-QZTJIDSGSA-N 2 1 348.487 2.367 20 30 EEEDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171221304 790129973 /nfs/dbraw/zinc/12/99/73/790129973.db2.gz KFSKJGZIVWIMPF-MRXNPFEDSA-N 2 1 331.460 2.306 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC000998044354 791880596 /nfs/dbraw/zinc/88/05/96/791880596.db2.gz GQFGWHISBYSEJT-ROUUACIJSA-N 2 1 342.487 2.172 20 30 EEEDMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000948040393 791889702 /nfs/dbraw/zinc/88/97/02/791889702.db2.gz PJCWTBHPTBTXSU-GJZGRUSLSA-N 2 1 346.500 2.185 20 30 EEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)C1 ZINC001147830468 791989249 /nfs/dbraw/zinc/98/92/49/791989249.db2.gz UHQPMKOGQUFRDX-UHFFFAOYSA-N 2 1 328.460 2.018 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC000998195700 792200978 /nfs/dbraw/zinc/20/09/78/792200978.db2.gz GUNZHSZQKAYBHI-FQEVSTJZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992156452 792953482 /nfs/dbraw/zinc/95/34/82/792953482.db2.gz WGCWGPJPZUTVSB-RDJZCZTQSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992156452 792953489 /nfs/dbraw/zinc/95/34/89/792953489.db2.gz WGCWGPJPZUTVSB-RDJZCZTQSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086940924 793030057 /nfs/dbraw/zinc/03/00/57/793030057.db2.gz DQKMUJLOXSDHID-QGZVFWFLSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001086932702 793068586 /nfs/dbraw/zinc/06/85/86/793068586.db2.gz RPHWCQBSRWUZDM-INIZCTEOSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086953041 793089772 /nfs/dbraw/zinc/08/97/72/793089772.db2.gz XPCNQDZLZFFQKQ-ROUUACIJSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126586 793179375 /nfs/dbraw/zinc/17/93/75/793179375.db2.gz VQHAUKKKQYMPGN-IAGOWNOFSA-N 2 1 339.524 2.136 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106112617 793287336 /nfs/dbraw/zinc/28/73/36/793287336.db2.gz OKWDNLFCZDKSTQ-FVQBIDKESA-N 2 1 327.900 2.296 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092302903 793779305 /nfs/dbraw/zinc/77/93/05/793779305.db2.gz FFKRNLATXNKTTC-GGPKGHCWSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)CN1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992421984 794045730 /nfs/dbraw/zinc/04/57/30/794045730.db2.gz YVSYVYDTMASJES-HLLBOEOZSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992421984 794045733 /nfs/dbraw/zinc/04/57/33/794045733.db2.gz YVSYVYDTMASJES-HLLBOEOZSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992421984 794045744 /nfs/dbraw/zinc/04/57/44/794045744.db2.gz YVSYVYDTMASJES-HLLBOEOZSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992421984 794045752 /nfs/dbraw/zinc/04/57/52/794045752.db2.gz YVSYVYDTMASJES-HLLBOEOZSA-N 2 1 325.884 2.194 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992421984 794045762 /nfs/dbraw/zinc/04/57/62/794045762.db2.gz YVSYVYDTMASJES-HLLBOEOZSA-N 2 1 325.884 2.194 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCCC)CC2 ZINC001040731106 794216593 /nfs/dbraw/zinc/21/65/93/794216593.db2.gz FBYSJZLSHLFWPE-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCCC)CC2 ZINC001040731106 794216602 /nfs/dbraw/zinc/21/66/02/794216602.db2.gz FBYSJZLSHLFWPE-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092675497 794223022 /nfs/dbraw/zinc/22/30/22/794223022.db2.gz IUHBLPRRDHQYSM-HYVNUMGLSA-N 2 1 341.927 2.401 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092675497 794223008 /nfs/dbraw/zinc/22/30/08/794223008.db2.gz IUHBLPRRDHQYSM-HYVNUMGLSA-N 2 1 341.927 2.401 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092675497 794223015 /nfs/dbraw/zinc/22/30/15/794223015.db2.gz IUHBLPRRDHQYSM-HYVNUMGLSA-N 2 1 341.927 2.401 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079162592 794438278 /nfs/dbraw/zinc/43/82/78/794438278.db2.gz RVQFAVPARDCALL-YTQUADARSA-N 2 1 345.462 2.238 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717269 794609961 /nfs/dbraw/zinc/60/99/61/794609961.db2.gz SSASLDPRPZICEF-ROUUACIJSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036736319 794692288 /nfs/dbraw/zinc/69/22/88/794692288.db2.gz YHTGRCBHBBKLOJ-CABCVRRESA-N 2 1 325.884 2.146 20 30 EEEDMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999682143 794775990 /nfs/dbraw/zinc/77/59/90/794775990.db2.gz LOSHKVATHJFATD-WLYUNCDWSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001093371823 795103803 /nfs/dbraw/zinc/10/38/03/795103803.db2.gz VNAGUDYEDKHFOM-MOPGFXCFSA-N 2 1 343.515 2.053 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318601 795881386 /nfs/dbraw/zinc/88/13/86/795881386.db2.gz ZOLAFZTXYKLEOM-QRQLOZEOSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318601 795881395 /nfs/dbraw/zinc/88/13/95/795881395.db2.gz ZOLAFZTXYKLEOM-QRQLOZEOSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318601 795881403 /nfs/dbraw/zinc/88/14/03/795881403.db2.gz ZOLAFZTXYKLEOM-QRQLOZEOSA-N 2 1 331.504 2.243 20 30 EEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318601 795881407 /nfs/dbraw/zinc/88/14/07/795881407.db2.gz ZOLAFZTXYKLEOM-QRQLOZEOSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001106672053 796084317 /nfs/dbraw/zinc/08/43/17/796084317.db2.gz BUPJLOZZBKFPPF-IEBWSBKVSA-N 2 1 329.488 2.031 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3occc3C[NH+](C)C)CCC[C@@H]12 ZINC001094498327 796291545 /nfs/dbraw/zinc/29/15/45/796291545.db2.gz GFMXEHQIUXORAN-YLJYHZDGSA-N 2 1 343.471 2.339 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC(=C)Cl)C2)CC1 ZINC001036902138 796439886 /nfs/dbraw/zinc/43/98/86/796439886.db2.gz FTHUVCZDLFBQHE-ZWKOTPCHSA-N 2 1 349.906 2.007 20 30 EEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC2(CCOCC2)C1 ZINC001089969652 796691459 /nfs/dbraw/zinc/69/14/59/796691459.db2.gz MBMMGFLKHGJULA-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC2(CCOCC2)C1 ZINC001089969652 796691463 /nfs/dbraw/zinc/69/14/63/796691463.db2.gz MBMMGFLKHGJULA-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC2(CCOCC2)C1 ZINC001089969652 796691466 /nfs/dbraw/zinc/69/14/66/796691466.db2.gz MBMMGFLKHGJULA-QZTJIDSGSA-N 2 1 349.519 2.034 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001171725025 796705014 /nfs/dbraw/zinc/70/50/14/796705014.db2.gz DQHZRETXVGGPKR-UHFFFAOYSA-N 2 1 334.439 2.025 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001081799551 796912864 /nfs/dbraw/zinc/91/28/64/796912864.db2.gz UVTOZYDACISWHF-CEXWTWQISA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001081799551 796912867 /nfs/dbraw/zinc/91/28/67/796912867.db2.gz UVTOZYDACISWHF-CEXWTWQISA-N 2 1 349.519 2.175 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001081799551 796912870 /nfs/dbraw/zinc/91/28/70/796912870.db2.gz UVTOZYDACISWHF-CEXWTWQISA-N 2 1 349.519 2.175 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993820204 797049886 /nfs/dbraw/zinc/04/98/86/797049886.db2.gz JGXROQHTAGODEA-NVXWUHKLSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993820204 797049893 /nfs/dbraw/zinc/04/98/93/797049893.db2.gz JGXROQHTAGODEA-NVXWUHKLSA-N 2 1 346.475 2.429 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001094938017 797058840 /nfs/dbraw/zinc/05/88/40/797058840.db2.gz SBCDMOBJOFONDR-LZWOXQAQSA-N 2 1 325.884 2.192 20 30 EEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001772576 797162554 /nfs/dbraw/zinc/16/25/54/797162554.db2.gz LDDWTXLIOKFLER-QGZVFWFLSA-N 2 1 330.476 2.158 20 30 EEEDMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173423323 797443093 /nfs/dbraw/zinc/44/30/93/797443093.db2.gz JDZOAVNMOIQNBQ-SFHVURJKSA-N 2 1 340.471 2.237 20 30 EEEDMP CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173592840 797549797 /nfs/dbraw/zinc/54/97/97/797549797.db2.gz DITLTFYXEJXSJT-DGSCNEQVSA-N 2 1 336.480 2.385 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001099306437 797880897 /nfs/dbraw/zinc/88/08/97/797880897.db2.gz CRMQIXWDZHSAAW-BFHYXJOUSA-N 2 1 333.398 2.026 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040543153 798004462 /nfs/dbraw/zinc/00/44/62/798004462.db2.gz HNGGYLSEWAQOQL-UYAOXDASSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048716 798447942 /nfs/dbraw/zinc/44/79/42/798447942.db2.gz BWBLKNCBTWCDAG-HKUYNNGSSA-N 2 1 349.519 2.177 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101245 798675292 /nfs/dbraw/zinc/67/52/92/798675292.db2.gz YSXYKKUOADCFTL-CEXWTWQISA-N 2 1 331.504 2.053 20 30 EEEDMP CCCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177089275 798743288 /nfs/dbraw/zinc/74/32/88/798743288.db2.gz QZNIXLAVNDERML-MSOLQXFVSA-N 2 1 339.524 2.210 20 30 EEEDMP CCCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177089275 798743290 /nfs/dbraw/zinc/74/32/90/798743290.db2.gz QZNIXLAVNDERML-MSOLQXFVSA-N 2 1 339.524 2.210 20 30 EEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001177472971 798958382 /nfs/dbraw/zinc/95/83/82/798958382.db2.gz KQLFEPRVWZUQLA-FQEVSTJZSA-N 2 1 331.504 2.104 20 30 EEEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212486992 798991531 /nfs/dbraw/zinc/99/15/31/798991531.db2.gz NCNYEDAEPGCATB-IAGOWNOFSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212486992 798991536 /nfs/dbraw/zinc/99/15/36/798991536.db2.gz NCNYEDAEPGCATB-IAGOWNOFSA-N 2 1 339.524 2.279 20 30 EEEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212486992 798991540 /nfs/dbraw/zinc/99/15/40/798991540.db2.gz NCNYEDAEPGCATB-IAGOWNOFSA-N 2 1 339.524 2.279 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085895298 801577981 /nfs/dbraw/zinc/57/79/81/801577981.db2.gz YVUMPNKMELVORP-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085895298 801577985 /nfs/dbraw/zinc/57/79/85/801577985.db2.gz YVUMPNKMELVORP-GOSISDBHSA-N 2 1 339.443 2.380 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC(CC)CC)CC1 ZINC001085986842 801840398 /nfs/dbraw/zinc/84/03/98/801840398.db2.gz OCGGPFJFABZEIB-LJQANCHMSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004455766 802114335 /nfs/dbraw/zinc/11/43/35/802114335.db2.gz ASTIIHBIMIACIX-GOSISDBHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185216961 802401453 /nfs/dbraw/zinc/40/14/53/802401453.db2.gz SNWVWHRPHMHPIG-IRXDYDNUSA-N 2 1 330.476 2.104 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608350 802475963 /nfs/dbraw/zinc/47/59/63/802475963.db2.gz YTDFLITZNKXUFE-GOSISDBHSA-N 2 1 331.504 2.361 20 30 EEEDMP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169807964 804083422 /nfs/dbraw/zinc/08/34/22/804083422.db2.gz AHDBIEKABCWBIR-QFBILLFUSA-N 2 1 342.487 2.417 20 30 EEEDMP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809513 804085444 /nfs/dbraw/zinc/08/54/44/804085444.db2.gz IESOJBIYLLPPSW-UYAOXDASSA-N 2 1 341.499 2.397 20 30 EEEDMP C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109418111 805432642 /nfs/dbraw/zinc/43/26/42/805432642.db2.gz XTRJLCMQXYRMKV-WCVJEAGWSA-N 2 1 325.884 2.335 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001129771126 810994647 /nfs/dbraw/zinc/99/46/47/810994647.db2.gz RXRUERGZAPTSJZ-ROUUACIJSA-N 2 1 345.874 2.131 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001129771126 810994652 /nfs/dbraw/zinc/99/46/52/810994652.db2.gz RXRUERGZAPTSJZ-ROUUACIJSA-N 2 1 345.874 2.131 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001130425369 811620460 /nfs/dbraw/zinc/62/04/60/811620460.db2.gz WEBKNPXAEAKEFO-UHFFFAOYSA-N 2 1 335.879 2.128 20 30 EEEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001130711235 811960732 /nfs/dbraw/zinc/96/07/32/811960732.db2.gz RKPVOUZKYRJENM-GOSISDBHSA-N 2 1 346.450 2.024 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@@H](C)O2 ZINC001131701515 813132918 /nfs/dbraw/zinc/13/29/18/813132918.db2.gz WKMSKBUGPRIXIZ-QUCCMNQESA-N 2 1 349.519 2.130 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001441625743 1095504522 /nfs/dbraw/zinc/50/45/22/1095504522.db2.gz YLOLMYWCBWCZTC-HNNXBMFYSA-N 2 1 348.516 2.290 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C#N)CC1 ZINC001444192635 1098744479 /nfs/dbraw/zinc/74/44/79/1098744479.db2.gz ZHVREFYOSHRKTD-WGSAOQKQSA-N 2 1 342.487 2.417 20 30 EEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001505436679 1113970436 /nfs/dbraw/zinc/97/04/36/1113970436.db2.gz BVTPQBPPBRFFLY-OAHLLOKOSA-N 2 1 325.884 2.290 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001505436679 1113970438 /nfs/dbraw/zinc/97/04/38/1113970438.db2.gz BVTPQBPPBRFFLY-OAHLLOKOSA-N 2 1 325.884 2.290 20 30 EEEDMP C=C(C)Cn1c([C@@H]2CCCN2C)nnc1N1CCN(C2CCC2)CC1 ZINC001523991361 1119948026 /nfs/dbraw/zinc/94/80/26/1119948026.db2.gz KVERJAITZIVCAR-KRWDZBQOSA-N 2 1 344.507 2.295 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C#N)c1C ZINC000338121111 279329434 /nfs/dbraw/zinc/32/94/34/279329434.db2.gz PLGIMDFNIGHDMG-SFHVURJKSA-N 2 1 342.487 2.355 20 30 EEEDMP C#CCOc1ccccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289554778 464084253 /nfs/dbraw/zinc/08/42/53/464084253.db2.gz YBHBQRAMWKAVJJ-UHFFFAOYSA-N 2 1 329.488 2.156 20 30 EEEDMP C#CCOc1ccccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289554778 464084257 /nfs/dbraw/zinc/08/42/57/464084257.db2.gz YBHBQRAMWKAVJJ-UHFFFAOYSA-N 2 1 329.488 2.156 20 30 EEEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[NH+]2CC)c1 ZINC000264077360 464279846 /nfs/dbraw/zinc/27/98/46/464279846.db2.gz GGHTYYDEUTVJFH-SFHVURJKSA-N 3 1 331.508 2.027 20 30 EEEDMP CC[NH+](C)Cc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000264077360 464279850 /nfs/dbraw/zinc/27/98/50/464279850.db2.gz GGHTYYDEUTVJFH-SFHVURJKSA-N 3 1 331.508 2.027 20 30 EEEDMP CC[NH+](C)Cc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000264077360 464279857 /nfs/dbraw/zinc/27/98/57/464279857.db2.gz GGHTYYDEUTVJFH-SFHVURJKSA-N 3 1 331.508 2.027 20 30 EEEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000264091709 464282401 /nfs/dbraw/zinc/28/24/01/464282401.db2.gz LEWOXXBAOADSKO-QAPCUYQASA-N 2 1 348.491 2.161 20 30 EEEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282216042 464739321 /nfs/dbraw/zinc/73/93/21/464739321.db2.gz HQSDUABHQAZQJW-QGZVFWFLSA-N 2 1 329.488 2.375 20 30 EEEDMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000330893373 465849888 /nfs/dbraw/zinc/84/98/88/465849888.db2.gz QUDQEUVTTDDZJP-CHWSQXEVSA-N 2 1 347.463 2.201 20 30 EEEDMP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000424130726 466985654 /nfs/dbraw/zinc/98/56/54/466985654.db2.gz HQVZMOXKMOXXCJ-RTBURBONSA-N 2 1 342.487 2.207 20 30 EEEDMP C=CCn1cc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)nn1 ZINC000424292782 467023731 /nfs/dbraw/zinc/02/37/31/467023731.db2.gz HIELHEGXETUJAZ-OAHLLOKOSA-N 2 1 329.448 2.255 20 30 EEEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453179303 467466386 /nfs/dbraw/zinc/46/63/86/467466386.db2.gz IWGFMDOUVFINOF-QRVBRYPASA-N 2 1 327.472 2.321 20 30 EEEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453179303 467466390 /nfs/dbraw/zinc/46/63/90/467466390.db2.gz IWGFMDOUVFINOF-QRVBRYPASA-N 2 1 327.472 2.321 20 30 EEEDMP C[C@@H]1C[C@]1(C#N)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000560167529 468770985 /nfs/dbraw/zinc/77/09/85/468770985.db2.gz JCICIEGFLQKAOI-OXQOHEQNSA-N 2 1 346.519 2.191 20 30 EEEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603069392 469249677 /nfs/dbraw/zinc/24/96/77/469249677.db2.gz BKQSOTIRXYICEK-UHFFFAOYSA-N 2 1 347.438 2.187 20 30 EEEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603069392 469249684 /nfs/dbraw/zinc/24/96/84/469249684.db2.gz BKQSOTIRXYICEK-UHFFFAOYSA-N 2 1 347.438 2.187 20 30 EEEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000623493196 469674357 /nfs/dbraw/zinc/67/43/57/469674357.db2.gz YHMBUDJVSHSYOH-KRWDZBQOSA-N 2 1 340.851 2.070 20 30 EEEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000623493196 469674364 /nfs/dbraw/zinc/67/43/64/469674364.db2.gz YHMBUDJVSHSYOH-KRWDZBQOSA-N 2 1 340.851 2.070 20 30 EEEDMP C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764468422 577736843 /nfs/dbraw/zinc/73/68/43/577736843.db2.gz JBSHIWHPESFTAT-PXNSSMCTSA-N 2 1 342.487 2.047 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764468422 577736844 /nfs/dbraw/zinc/73/68/44/577736844.db2.gz JBSHIWHPESFTAT-PXNSSMCTSA-N 2 1 342.487 2.047 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C)cc2)C1 ZINC000969869263 675270845 /nfs/dbraw/zinc/27/08/45/675270845.db2.gz OGTMSYFVBVSVID-PXNSSMCTSA-N 2 1 339.483 2.029 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139219 675643309 /nfs/dbraw/zinc/64/33/09/675643309.db2.gz FRMGWRRJFDPRTG-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039139219 675643311 /nfs/dbraw/zinc/64/33/11/675643311.db2.gz FRMGWRRJFDPRTG-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039139219 675643312 /nfs/dbraw/zinc/64/33/12/675643312.db2.gz FRMGWRRJFDPRTG-RTBURBONSA-N 2 1 331.504 2.055 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3C#N)C2)CCC1 ZINC000971675851 676733052 /nfs/dbraw/zinc/73/30/52/676733052.db2.gz BUKCVUBWHNETJW-SFHVURJKSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3C#N)C2)CCC1 ZINC000971675851 676733054 /nfs/dbraw/zinc/73/30/54/676733054.db2.gz BUKCVUBWHNETJW-SFHVURJKSA-N 2 1 340.471 2.075 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414667 679298039 /nfs/dbraw/zinc/29/80/39/679298039.db2.gz XXEHUCJZEHZBMI-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414667 679298040 /nfs/dbraw/zinc/29/80/40/679298040.db2.gz XXEHUCJZEHZBMI-PKOBYXMFSA-N 2 1 331.504 2.245 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508018 679346711 /nfs/dbraw/zinc/34/67/11/679346711.db2.gz GIGPIYQHIHDXME-QGZVFWFLSA-N 2 1 329.488 2.419 20 30 EEEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC#Cc1ccccc1 ZINC001024366996 679883893 /nfs/dbraw/zinc/88/38/93/679883893.db2.gz WSQGWVODUNESDG-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP CN1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC#Cc1ccccc1 ZINC001024366996 679883894 /nfs/dbraw/zinc/88/38/94/679883894.db2.gz WSQGWVODUNESDG-UXHICEINSA-N 2 1 339.483 2.103 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001026921830 685308038 /nfs/dbraw/zinc/30/80/38/685308038.db2.gz YAAKKASVQBXZOP-YOEHRIQHSA-N 2 1 346.500 2.042 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001026921829 685308115 /nfs/dbraw/zinc/30/81/15/685308115.db2.gz YAAKKASVQBXZOP-WMLDXEAASA-N 2 1 346.500 2.042 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028591491 681232649 /nfs/dbraw/zinc/23/26/49/681232649.db2.gz HXNZOZSSRIMHSP-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028591491 681232653 /nfs/dbraw/zinc/23/26/53/681232653.db2.gz HXNZOZSSRIMHSP-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028591491 681232655 /nfs/dbraw/zinc/23/26/55/681232655.db2.gz HXNZOZSSRIMHSP-MJGOQNOKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024734316 681396006 /nfs/dbraw/zinc/39/60/06/681396006.db2.gz VMYWZETYZAOSFY-SFHVURJKSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024734316 681396014 /nfs/dbraw/zinc/39/60/14/681396014.db2.gz VMYWZETYZAOSFY-SFHVURJKSA-N 2 1 339.443 2.428 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240041 682296027 /nfs/dbraw/zinc/29/60/27/682296027.db2.gz KPTIEFIKIIYXJW-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240041 682296029 /nfs/dbraw/zinc/29/60/29/682296029.db2.gz KPTIEFIKIIYXJW-OALUTQOASA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001025630734 683168805 /nfs/dbraw/zinc/16/88/05/683168805.db2.gz VKHULFCFKQSWDM-YLJYHZDGSA-N 2 1 345.531 2.348 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974864131 685639267 /nfs/dbraw/zinc/63/92/67/685639267.db2.gz PPXBPEZFDKUFMS-GOSISDBHSA-N 2 1 329.488 2.417 20 30 EEEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC000992746399 683361348 /nfs/dbraw/zinc/36/13/48/683361348.db2.gz WPMCTGQOFSOTCD-NZSAHSFTSA-N 2 1 345.531 2.489 20 30 EEEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040347343 693970817 /nfs/dbraw/zinc/97/08/17/693970817.db2.gz JJTHITRBPLVBIG-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347343 693970824 /nfs/dbraw/zinc/97/08/24/693970824.db2.gz JJTHITRBPLVBIG-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040347343 693970830 /nfs/dbraw/zinc/97/08/30/693970830.db2.gz JJTHITRBPLVBIG-UYAOXDASSA-N 2 1 331.504 2.056 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000978912906 694018873 /nfs/dbraw/zinc/01/88/73/694018873.db2.gz XXFWBWHPMSGQAW-LDLYASANSA-N 2 1 333.520 2.367 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991016222 694192298 /nfs/dbraw/zinc/19/22/98/694192298.db2.gz FPNSURIIAWVYGE-CMKODMSKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991016222 694192302 /nfs/dbraw/zinc/19/23/02/694192302.db2.gz FPNSURIIAWVYGE-CMKODMSKSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991016222 694192306 /nfs/dbraw/zinc/19/23/06/694192306.db2.gz FPNSURIIAWVYGE-CMKODMSKSA-N 2 1 331.504 2.101 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000987269757 689563705 /nfs/dbraw/zinc/56/37/05/689563705.db2.gz TVDBIPPPBSOIRH-YOEHRIQHSA-N 2 1 325.416 2.036 20 30 EEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577234 693179679 /nfs/dbraw/zinc/17/96/79/693179679.db2.gz GZPHLFRBJRTHDD-OAHLLOKOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577234 693179681 /nfs/dbraw/zinc/17/96/81/693179681.db2.gz GZPHLFRBJRTHDD-OAHLLOKOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577234 693179685 /nfs/dbraw/zinc/17/96/85/693179685.db2.gz GZPHLFRBJRTHDD-OAHLLOKOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577234 693179688 /nfs/dbraw/zinc/17/96/88/693179688.db2.gz GZPHLFRBJRTHDD-OAHLLOKOSA-N 2 1 327.900 2.394 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(=C)C)C[C@@H]2C)CC1 ZINC000945177597 1193413607 /nfs/dbraw/zinc/41/36/07/1193413607.db2.gz BKFOCKMKKHRLNE-PKOBYXMFSA-N 2 1 331.504 2.124 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000991064327 1189766707 /nfs/dbraw/zinc/76/67/07/1189766707.db2.gz CWHRBDQDJTYSEF-NLWGTHIKSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991064327 1189766713 /nfs/dbraw/zinc/76/67/13/1189766713.db2.gz CWHRBDQDJTYSEF-NLWGTHIKSA-N 2 1 331.504 2.386 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991064327 1189766718 /nfs/dbraw/zinc/76/67/18/1189766718.db2.gz CWHRBDQDJTYSEF-NLWGTHIKSA-N 2 1 331.504 2.386 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C ZINC001483916159 1191115398 /nfs/dbraw/zinc/11/53/98/1191115398.db2.gz MCIBQPHQGQXJPP-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C[NH+]1CCC(CC[N@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001273039769 1194344347 /nfs/dbraw/zinc/34/43/47/1194344347.db2.gz VBBOMZFNKOJILN-FQEVSTJZSA-N 2 1 346.519 2.479 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033539924 1194710276 /nfs/dbraw/zinc/71/02/76/1194710276.db2.gz MVQWMMJLKXSXDD-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033539924 1194710278 /nfs/dbraw/zinc/71/02/78/1194710278.db2.gz MVQWMMJLKXSXDD-SFHVURJKSA-N 2 1 339.443 2.380 20 30 EEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001128779319 1195484851 /nfs/dbraw/zinc/48/48/51/1195484851.db2.gz SDVDMXJMBNJLLL-SFHVURJKSA-N 2 1 347.890 2.272 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034018483 1195640757 /nfs/dbraw/zinc/64/07/57/1195640757.db2.gz YZKAIECALJPAGL-LJQANCHMSA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034393333 1196182097 /nfs/dbraw/zinc/18/20/97/1196182097.db2.gz CVZSUVKYVMJXTC-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034393333 1196182098 /nfs/dbraw/zinc/18/20/98/1196182098.db2.gz CVZSUVKYVMJXTC-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478569 1196268730 /nfs/dbraw/zinc/26/87/30/1196268730.db2.gz LUZBDPWSQATAEB-IBGZPJMESA-N 2 1 331.504 2.102 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001034660191 1196485738 /nfs/dbraw/zinc/48/57/38/1196485738.db2.gz WHTTUABVVPABJD-LNLFQRSKSA-N 2 1 349.519 2.223 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001018166511 1224417879 /nfs/dbraw/zinc/41/78/79/1224417879.db2.gz SHFNYDLPVWFZEW-CEXWTWQISA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001018166511 1224417885 /nfs/dbraw/zinc/41/78/85/1224417885.db2.gz SHFNYDLPVWFZEW-CEXWTWQISA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001018166511 1224417892 /nfs/dbraw/zinc/41/78/92/1224417892.db2.gz SHFNYDLPVWFZEW-CEXWTWQISA-N 2 1 331.504 2.340 20 30 EEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001018166511 1224417896 /nfs/dbraw/zinc/41/78/96/1224417896.db2.gz SHFNYDLPVWFZEW-CEXWTWQISA-N 2 1 331.504 2.340 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132411393 1199681363 /nfs/dbraw/zinc/68/13/63/1199681363.db2.gz ZDARCUQIMXBZTA-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132411393 1199681367 /nfs/dbraw/zinc/68/13/67/1199681367.db2.gz ZDARCUQIMXBZTA-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001132411393 1199681371 /nfs/dbraw/zinc/68/13/71/1199681371.db2.gz ZDARCUQIMXBZTA-LPHOPBHVSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132437317 1199709262 /nfs/dbraw/zinc/70/92/62/1199709262.db2.gz RMUHWAXLQRGLES-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132437317 1199709263 /nfs/dbraw/zinc/70/92/63/1199709263.db2.gz RMUHWAXLQRGLES-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC001132437317 1199709265 /nfs/dbraw/zinc/70/92/65/1199709265.db2.gz RMUHWAXLQRGLES-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001132437317 1199709266 /nfs/dbraw/zinc/70/92/66/1199709266.db2.gz RMUHWAXLQRGLES-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000870125789 1200489298 /nfs/dbraw/zinc/48/92/98/1200489298.db2.gz QWZSIBAUCQJIKL-SFHVURJKSA-N 2 1 339.483 2.237 20 30 EEEDMP N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001015290219 1225044745 /nfs/dbraw/zinc/04/47/45/1225044745.db2.gz LRMCIMBLAPZLEX-GOSISDBHSA-N 2 1 345.406 2.210 20 30 EEEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001015290219 1225044749 /nfs/dbraw/zinc/04/47/49/1225044749.db2.gz LRMCIMBLAPZLEX-GOSISDBHSA-N 2 1 345.406 2.210 20 30 EEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095772347 1208504348 /nfs/dbraw/zinc/50/43/48/1208504348.db2.gz QIPTXQXPEJMSBK-AYBZRNKSSA-N 2 1 342.487 2.450 20 30 EEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095772347 1208504349 /nfs/dbraw/zinc/50/43/49/1208504349.db2.gz QIPTXQXPEJMSBK-AYBZRNKSSA-N 2 1 342.487 2.450 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435455 1209136867 /nfs/dbraw/zinc/13/68/67/1209136867.db2.gz LTMQFSYCBWGKNI-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435455 1209136869 /nfs/dbraw/zinc/13/68/69/1209136869.db2.gz LTMQFSYCBWGKNI-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435455 1209136871 /nfs/dbraw/zinc/13/68/71/1209136871.db2.gz LTMQFSYCBWGKNI-RBUKOAKNSA-N 2 1 333.520 2.301 20 30 EEEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@@H+]1CC)CCO2 ZINC000949250908 1209594435 /nfs/dbraw/zinc/59/44/35/1209594435.db2.gz CXWUMVGBTANSNV-GOSISDBHSA-N 2 1 349.519 2.130 20 30 EEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603033 1215248408 /nfs/dbraw/zinc/24/84/08/1215248408.db2.gz LUVLUULLVWGJRP-MSOLQXFVSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001114835988 1215697342 /nfs/dbraw/zinc/69/73/42/1215697342.db2.gz VPLRYARYXYHFNE-MKSNKDDYSA-N 2 1 337.483 2.212 20 30 EEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001114835988 1215697343 /nfs/dbraw/zinc/69/73/43/1215697343.db2.gz VPLRYARYXYHFNE-MKSNKDDYSA-N 2 1 337.483 2.212 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001114835988 1215697345 /nfs/dbraw/zinc/69/73/45/1215697345.db2.gz VPLRYARYXYHFNE-MKSNKDDYSA-N 2 1 337.483 2.212 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC000961189242 1217078115 /nfs/dbraw/zinc/07/81/15/1217078115.db2.gz YRYYWKKJOSCCKX-IRXDYDNUSA-N 2 1 330.476 2.479 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961189242 1217078117 /nfs/dbraw/zinc/07/81/17/1217078117.db2.gz YRYYWKKJOSCCKX-IRXDYDNUSA-N 2 1 330.476 2.479 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961189242 1217078119 /nfs/dbraw/zinc/07/81/19/1217078119.db2.gz YRYYWKKJOSCCKX-IRXDYDNUSA-N 2 1 330.476 2.479 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253577 1217112121 /nfs/dbraw/zinc/11/21/21/1217112121.db2.gz QOIZPPZRDPDDFO-WOJBJXKFSA-N 2 1 345.531 2.302 20 30 EEEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279504 1217125109 /nfs/dbraw/zinc/12/51/09/1217125109.db2.gz DXWAQAHESASNKV-MSOLQXFVSA-N 2 1 330.476 2.328 20 30 EEEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279504 1217125111 /nfs/dbraw/zinc/12/51/11/1217125111.db2.gz DXWAQAHESASNKV-MSOLQXFVSA-N 2 1 330.476 2.328 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961293308 1217132194 /nfs/dbraw/zinc/13/21/94/1217132194.db2.gz NVVGZEOERYYBQG-VQTJNVASSA-N 2 1 345.531 2.446 20 30 EEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000963912296 1218121701 /nfs/dbraw/zinc/12/17/01/1218121701.db2.gz IOYITJJJOUQTSN-JEYLPNPQSA-N 2 1 327.900 2.440 20 30 EEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001114903621 1220478738 /nfs/dbraw/zinc/47/87/38/1220478738.db2.gz GVWHNQRNKYXXDO-CBZIJGRNSA-N 2 1 330.476 2.408 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001114903621 1220478741 /nfs/dbraw/zinc/47/87/41/1220478741.db2.gz GVWHNQRNKYXXDO-CBZIJGRNSA-N 2 1 330.476 2.408 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)CC[C@H]2C)CC1 ZINC000968680615 1221486946 /nfs/dbraw/zinc/48/69/46/1221486946.db2.gz BWYSTPNSLSSOQI-IEBWSBKVSA-N 2 1 331.504 2.124 20 30 EEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065075 1222599968 /nfs/dbraw/zinc/59/99/68/1222599968.db2.gz YKKYVXLNGOKSLA-SFHVURJKSA-N 2 1 327.472 2.008 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065075 1222599971 /nfs/dbraw/zinc/59/99/71/1222599971.db2.gz YKKYVXLNGOKSLA-SFHVURJKSA-N 2 1 327.472 2.008 20 30 EEEDMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001008532463 1222909472 /nfs/dbraw/zinc/90/94/72/1222909472.db2.gz OFPHMMCVCCYRHO-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001008532463 1222909477 /nfs/dbraw/zinc/90/94/77/1222909477.db2.gz OFPHMMCVCCYRHO-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001008532463 1222909482 /nfs/dbraw/zinc/90/94/82/1222909482.db2.gz OFPHMMCVCCYRHO-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001008532463 1222909486 /nfs/dbraw/zinc/90/94/86/1222909486.db2.gz OFPHMMCVCCYRHO-QFBILLFUSA-N 2 1 340.471 2.123 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014412048 1226586966 /nfs/dbraw/zinc/58/69/66/1226586966.db2.gz FDUROUZZFLVWSR-RBUKOAKNSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001014412048 1226586969 /nfs/dbraw/zinc/58/69/69/1226586969.db2.gz FDUROUZZFLVWSR-RBUKOAKNSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001014412048 1226586970 /nfs/dbraw/zinc/58/69/70/1226586970.db2.gz FDUROUZZFLVWSR-RBUKOAKNSA-N 2 1 340.471 2.122 20 30 EEEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001014412048 1226586973 /nfs/dbraw/zinc/58/69/73/1226586973.db2.gz FDUROUZZFLVWSR-RBUKOAKNSA-N 2 1 340.471 2.122 20 30 EEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001016818033 1226901558 /nfs/dbraw/zinc/90/15/58/1226901558.db2.gz ABZFMKRILBBXME-BEFAXECRSA-N 2 1 337.483 2.356 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001018985372 1228606807 /nfs/dbraw/zinc/60/68/07/1228606807.db2.gz OZYXAKXXNZSZLO-GJYPPUQNSA-N 2 1 343.446 2.175 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001018985372 1228606812 /nfs/dbraw/zinc/60/68/12/1228606812.db2.gz OZYXAKXXNZSZLO-GJYPPUQNSA-N 2 1 343.446 2.175 20 30 EEEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001020146126 1229510160 /nfs/dbraw/zinc/51/01/60/1229510160.db2.gz WEFFKPWKXFHYDS-GUDVDZBRSA-N 2 1 340.471 2.168 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCC2CCCCC2)CC1 ZINC001039041250 1230257751 /nfs/dbraw/zinc/25/77/51/1230257751.db2.gz AWOXGLKSHMCETD-HXUWFJFHSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039204827 1230431421 /nfs/dbraw/zinc/43/14/21/1230431421.db2.gz FFQRVCNUASIYMC-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039204827 1230431423 /nfs/dbraw/zinc/43/14/23/1230431423.db2.gz FFQRVCNUASIYMC-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039204827 1230431425 /nfs/dbraw/zinc/43/14/25/1230431425.db2.gz FFQRVCNUASIYMC-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228607 1230460906 /nfs/dbraw/zinc/46/09/06/1230460906.db2.gz GLUTZWYYNUEIDS-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039228607 1230460909 /nfs/dbraw/zinc/46/09/09/1230460909.db2.gz GLUTZWYYNUEIDS-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039228607 1230460915 /nfs/dbraw/zinc/46/09/15/1230460915.db2.gz GLUTZWYYNUEIDS-MOPGFXCFSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039255611 1230491118 /nfs/dbraw/zinc/49/11/18/1230491118.db2.gz DFEOSGSETXJVBF-VQTJNVASSA-N 2 1 345.531 2.443 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452156 1230619518 /nfs/dbraw/zinc/61/95/18/1230619518.db2.gz JMZVWSVMUIAELG-UXHICEINSA-N 2 1 339.483 2.450 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240491 1231125372 /nfs/dbraw/zinc/12/53/72/1231125372.db2.gz HDFOIFISPBPODR-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240491 1231125376 /nfs/dbraw/zinc/12/53/76/1231125376.db2.gz HDFOIFISPBPODR-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240491 1231125378 /nfs/dbraw/zinc/12/53/78/1231125378.db2.gz HDFOIFISPBPODR-CTNGQTDRSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040847849 1231386960 /nfs/dbraw/zinc/38/69/60/1231386960.db2.gz AHFROMXIJYRITP-QZTJIDSGSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288307 1231495858 /nfs/dbraw/zinc/49/58/58/1231495858.db2.gz VWPZJUDURJEROO-WMZOPIPTSA-N 2 1 337.895 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288307 1231495859 /nfs/dbraw/zinc/49/58/59/1231495859.db2.gz VWPZJUDURJEROO-WMZOPIPTSA-N 2 1 337.895 2.005 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4nccn43)C2)C1 ZINC001041356631 1231518167 /nfs/dbraw/zinc/51/81/67/1231518167.db2.gz AEGRTLYGWWOWBG-QFBILLFUSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041356631 1231518170 /nfs/dbraw/zinc/51/81/70/1231518170.db2.gz AEGRTLYGWWOWBG-QFBILLFUSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041356631 1231518172 /nfs/dbraw/zinc/51/81/72/1231518172.db2.gz AEGRTLYGWWOWBG-QFBILLFUSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001041695279 1231651150 /nfs/dbraw/zinc/65/11/50/1231651150.db2.gz AHMAMIJCSDGYHT-MDZRGWNJSA-N 2 1 328.460 2.024 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CCCC)C3)C2)CC1 ZINC001041844546 1231728123 /nfs/dbraw/zinc/72/81/23/1231728123.db2.gz KLGKXMIKQHUEIK-HXUWFJFHSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CC(=C)Cl)C3)C2)CC1 ZINC001041845400 1231728548 /nfs/dbraw/zinc/72/85/48/1231728548.db2.gz YBNGTXJYHAWFMX-IBGZPJMESA-N 2 1 349.906 2.009 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CC(=C)Cl)C3)C2)CC1 ZINC001041845400 1231728551 /nfs/dbraw/zinc/72/85/51/1231728551.db2.gz YBNGTXJYHAWFMX-IBGZPJMESA-N 2 1 349.906 2.009 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042317104 1232024806 /nfs/dbraw/zinc/02/48/06/1232024806.db2.gz WDZPSLVALGWIOQ-YJBOKZPZSA-N 2 1 328.460 2.260 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042317104 1232024808 /nfs/dbraw/zinc/02/48/08/1232024808.db2.gz WDZPSLVALGWIOQ-YJBOKZPZSA-N 2 1 328.460 2.260 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001045949569 1234214583 /nfs/dbraw/zinc/21/45/83/1234214583.db2.gz JVRDEOCNEUIBME-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949569 1234214586 /nfs/dbraw/zinc/21/45/86/1234214586.db2.gz JVRDEOCNEUIBME-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949569 1234214590 /nfs/dbraw/zinc/21/45/90/1234214590.db2.gz JVRDEOCNEUIBME-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@]3(CC[N@H+](CC)C3)C2)CC1 ZINC001045986151 1234281769 /nfs/dbraw/zinc/28/17/69/1234281769.db2.gz IMTSTHFSOVLNEH-FQEVSTJZSA-N 2 1 331.504 2.056 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001046849808 1235247464 /nfs/dbraw/zinc/24/74/64/1235247464.db2.gz JJAADAALBRITQJ-OAQYLSRUSA-N 2 1 343.515 2.413 20 30 EEEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046942521 1235336336 /nfs/dbraw/zinc/33/63/36/1235336336.db2.gz KEGUUOZEQGCARD-CVEARBPZSA-N 2 1 343.462 2.224 20 30 EEEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046942521 1235336340 /nfs/dbraw/zinc/33/63/40/1235336340.db2.gz KEGUUOZEQGCARD-CVEARBPZSA-N 2 1 343.462 2.224 20 30 EEEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046942521 1235336344 /nfs/dbraw/zinc/33/63/44/1235336344.db2.gz KEGUUOZEQGCARD-CVEARBPZSA-N 2 1 343.462 2.224 20 30 EEEDMP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046958485 1235357926 /nfs/dbraw/zinc/35/79/26/1235357926.db2.gz YVCGTZKJBUQEJT-OAHLLOKOSA-N 2 1 346.381 2.045 20 30 EEEDMP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046958485 1235357928 /nfs/dbraw/zinc/35/79/28/1235357928.db2.gz YVCGTZKJBUQEJT-OAHLLOKOSA-N 2 1 346.381 2.045 20 30 EEEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047255816 1235758821 /nfs/dbraw/zinc/75/88/21/1235758821.db2.gz DONYQDCQAQYGOM-UYAOXDASSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001048534497 1237900845 /nfs/dbraw/zinc/90/08/45/1237900845.db2.gz YKKNNSOMOCVAPG-YYIAUSFCSA-N 2 1 328.460 2.306 20 30 EEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001048534497 1237900848 /nfs/dbraw/zinc/90/08/48/1237900848.db2.gz YKKNNSOMOCVAPG-YYIAUSFCSA-N 2 1 328.460 2.306 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048914086 1239239722 /nfs/dbraw/zinc/23/97/22/1239239722.db2.gz NYJPZTWTMRBEIJ-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048914086 1239239743 /nfs/dbraw/zinc/23/97/43/1239239743.db2.gz NYJPZTWTMRBEIJ-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048914086 1239239759 /nfs/dbraw/zinc/23/97/59/1239239759.db2.gz NYJPZTWTMRBEIJ-CEXWTWQISA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC001000259317 1240108331 /nfs/dbraw/zinc/10/83/31/1240108331.db2.gz HAMHAIXOLCPASL-CJNGLKHVSA-N 2 1 339.911 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC001000259317 1240108342 /nfs/dbraw/zinc/10/83/42/1240108342.db2.gz HAMHAIXOLCPASL-CJNGLKHVSA-N 2 1 339.911 2.297 20 30 EEEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049764666 1242126222 /nfs/dbraw/zinc/12/62/22/1242126222.db2.gz VHKUAYRAWFMEOU-IRXDYDNUSA-N 2 1 328.460 2.095 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049764666 1242126230 /nfs/dbraw/zinc/12/62/30/1242126230.db2.gz VHKUAYRAWFMEOU-IRXDYDNUSA-N 2 1 328.460 2.095 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CCC(C)C)CC2)CC1 ZINC001001471934 1242338059 /nfs/dbraw/zinc/33/80/59/1242338059.db2.gz NUMBIPWZLQSNEF-UHFFFAOYSA-N 2 1 331.504 2.126 20 30 EEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001001478169 1242348101 /nfs/dbraw/zinc/34/81/01/1242348101.db2.gz YBDVXJAIQCSFBV-LJQANCHMSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049914120 1242681842 /nfs/dbraw/zinc/68/18/42/1242681842.db2.gz MUJKLAAANFMPHE-XUVXKRRUSA-N 2 1 339.483 2.378 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049914120 1242681849 /nfs/dbraw/zinc/68/18/49/1242681849.db2.gz MUJKLAAANFMPHE-XUVXKRRUSA-N 2 1 339.483 2.378 20 30 EEEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062515 1242755182 /nfs/dbraw/zinc/75/51/82/1242755182.db2.gz VRJQHSFXHYHZBE-IPMKNSEASA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050062515 1242755188 /nfs/dbraw/zinc/75/51/88/1242755188.db2.gz VRJQHSFXHYHZBE-IPMKNSEASA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050062515 1242755194 /nfs/dbraw/zinc/75/51/94/1242755194.db2.gz VRJQHSFXHYHZBE-IPMKNSEASA-N 2 1 333.520 2.463 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)CC)CC1 ZINC001096605528 1242778080 /nfs/dbraw/zinc/77/80/80/1242778080.db2.gz SEGNIMTWDSDPGI-NQYYFHDYSA-N 2 1 331.504 2.099 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CC(C)C2)CC1 ZINC001096605345 1242779686 /nfs/dbraw/zinc/77/96/86/1242779686.db2.gz KERPZWPRKFVKQE-BLXWGWSPSA-N 2 1 343.515 2.099 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](C/C=C\Cl)C[C@H]32)CC1 ZINC001050208936 1243124690 /nfs/dbraw/zinc/12/46/90/1243124690.db2.gz WQXCKPSLPQHSDH-OICRMLJZSA-N 2 1 349.906 2.007 20 30 EEEDMP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)cccc2C1 ZINC001051289561 1245483492 /nfs/dbraw/zinc/48/34/92/1245483492.db2.gz JYEMRMJKFUWVEF-VQTJNVASSA-N 2 1 339.483 2.024 20 30 EEEDMP C#CC[N@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)cccc2C1 ZINC001051289561 1245483495 /nfs/dbraw/zinc/48/34/95/1245483495.db2.gz JYEMRMJKFUWVEF-VQTJNVASSA-N 2 1 339.483 2.024 20 30 EEEDMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)cccc2C1 ZINC001051289561 1245483497 /nfs/dbraw/zinc/48/34/97/1245483497.db2.gz JYEMRMJKFUWVEF-VQTJNVASSA-N 2 1 339.483 2.024 20 30 EEEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053104158 1245916290 /nfs/dbraw/zinc/91/62/90/1245916290.db2.gz CQGQPWXRABKTNG-MSOLQXFVSA-N 2 1 331.504 2.361 20 30 EEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054052353 1247242014 /nfs/dbraw/zinc/24/20/14/1247242014.db2.gz UTTPPHSHBWDIEV-FQEVSTJZSA-N 2 1 341.499 2.447 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054147783 1247526809 /nfs/dbraw/zinc/52/68/09/1247526809.db2.gz XYPOOANQZRRAPD-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001054147783 1247526818 /nfs/dbraw/zinc/52/68/18/1247526818.db2.gz XYPOOANQZRRAPD-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001054147783 1247526827 /nfs/dbraw/zinc/52/68/27/1247526827.db2.gz XYPOOANQZRRAPD-UYAOXDASSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171303 1247597299 /nfs/dbraw/zinc/59/72/99/1247597299.db2.gz OCPLRKISYYYFHZ-QUCCMNQESA-N 2 1 331.504 2.361 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186693 1247655619 /nfs/dbraw/zinc/65/56/19/1247655619.db2.gz ZUCHPRFITKSDNU-HXUWFJFHSA-N 2 1 343.471 2.293 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054228740 1247783405 /nfs/dbraw/zinc/78/34/05/1247783405.db2.gz YRQGGTBDESFBQQ-AEFFLSMTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054228740 1247783409 /nfs/dbraw/zinc/78/34/09/1247783409.db2.gz YRQGGTBDESFBQQ-AEFFLSMTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054228740 1247783413 /nfs/dbraw/zinc/78/34/13/1247783413.db2.gz YRQGGTBDESFBQQ-AEFFLSMTSA-N 2 1 339.911 2.395 20 30 EEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)C34CCC[NH+]3CCC4)cc2C1 ZINC001054272971 1247966848 /nfs/dbraw/zinc/96/68/48/1247966848.db2.gz MXURCYOXQKKQTH-UHFFFAOYSA-N 2 1 325.456 2.433 20 30 EEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)C34CCC[NH+]3CCC4)cc2C1 ZINC001054272971 1247966850 /nfs/dbraw/zinc/96/68/50/1247966850.db2.gz MXURCYOXQKKQTH-UHFFFAOYSA-N 2 1 325.456 2.433 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001098483226 1257707436 /nfs/dbraw/zinc/70/74/36/1257707436.db2.gz QRAZVTMMJGYKMC-NXHRZFHOSA-N 2 1 343.471 2.480 20 30 EEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001098483226 1257707439 /nfs/dbraw/zinc/70/74/39/1257707439.db2.gz QRAZVTMMJGYKMC-NXHRZFHOSA-N 2 1 343.471 2.480 20 30 EEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098958851 1257877277 /nfs/dbraw/zinc/87/72/77/1257877277.db2.gz CVTNIUMQGJRLPU-NSHGMRRFSA-N 2 1 331.504 2.408 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001098990957 1257918799 /nfs/dbraw/zinc/91/87/99/1257918799.db2.gz LKKMJOTWFIUCOT-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001098990957 1257918804 /nfs/dbraw/zinc/91/88/04/1257918804.db2.gz LKKMJOTWFIUCOT-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001098990957 1257918809 /nfs/dbraw/zinc/91/88/09/1257918809.db2.gz LKKMJOTWFIUCOT-BJLQDIEVSA-N 2 1 331.504 2.102 20 30 EEEDMP C=CCOCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144894 1257985148 /nfs/dbraw/zinc/98/51/48/1257985148.db2.gz NGSAXVZUXSOGTN-KRWDZBQOSA-N 2 1 348.491 2.001 20 30 EEEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144894 1257985152 /nfs/dbraw/zinc/98/51/52/1257985152.db2.gz NGSAXVZUXSOGTN-KRWDZBQOSA-N 2 1 348.491 2.001 20 30 EEEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100859784 1259358758 /nfs/dbraw/zinc/35/87/58/1259358758.db2.gz BYNAHVYJIYWZDD-NKELODKYSA-N 2 1 327.472 2.187 20 30 EEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258564 1280762588 /nfs/dbraw/zinc/76/25/88/1280762588.db2.gz KNYJNXPOAXTBBG-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001190258564 1280762590 /nfs/dbraw/zinc/76/25/90/1280762590.db2.gz KNYJNXPOAXTBBG-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001190258564 1280762599 /nfs/dbraw/zinc/76/25/99/1280762599.db2.gz KNYJNXPOAXTBBG-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001190258564 1280762605 /nfs/dbraw/zinc/76/26/05/1280762605.db2.gz KNYJNXPOAXTBBG-CRAIPNDOSA-N 2 1 345.491 2.289 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001190724916 1281034926 /nfs/dbraw/zinc/03/49/26/1281034926.db2.gz NMGFVWXQRZFSSN-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001190724916 1281034934 /nfs/dbraw/zinc/03/49/34/1281034934.db2.gz NMGFVWXQRZFSSN-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001190724916 1281034944 /nfs/dbraw/zinc/03/49/44/1281034944.db2.gz NMGFVWXQRZFSSN-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001190724916 1281034952 /nfs/dbraw/zinc/03/49/52/1281034952.db2.gz NMGFVWXQRZFSSN-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001190724916 1281034960 /nfs/dbraw/zinc/03/49/60/1281034960.db2.gz NMGFVWXQRZFSSN-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001192038119 1281774455 /nfs/dbraw/zinc/77/44/55/1281774455.db2.gz NSOUHJGJLNVFIK-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001192038119 1281774465 /nfs/dbraw/zinc/77/44/65/1281774465.db2.gz NSOUHJGJLNVFIK-QGZVFWFLSA-N 2 1 346.450 2.072 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001193600666 1282628999 /nfs/dbraw/zinc/62/89/99/1282628999.db2.gz JAKURWHHNMWRDQ-HXUWFJFHSA-N 2 1 341.499 2.303 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001193600666 1282629010 /nfs/dbraw/zinc/62/90/10/1282629010.db2.gz JAKURWHHNMWRDQ-HXUWFJFHSA-N 2 1 341.499 2.303 20 30 EEEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001193600666 1282629022 /nfs/dbraw/zinc/62/90/22/1282629022.db2.gz JAKURWHHNMWRDQ-HXUWFJFHSA-N 2 1 341.499 2.303 20 30 EEEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C12CCC2 ZINC001203175576 1284171775 /nfs/dbraw/zinc/17/17/75/1284171775.db2.gz CRFUEENEJOYDGG-MSOLQXFVSA-N 2 1 342.487 2.355 20 30 EEEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855624 1296621817 /nfs/dbraw/zinc/62/18/17/1296621817.db2.gz IKTMYNWIDFBKHX-QRQLOZEOSA-N 2 1 349.519 2.033 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001491126762 1299615393 /nfs/dbraw/zinc/61/53/93/1299615393.db2.gz SPEBQUVIIGMEQM-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001491126762 1299615408 /nfs/dbraw/zinc/61/54/08/1299615408.db2.gz SPEBQUVIIGMEQM-IBGZPJMESA-N 2 1 342.487 2.228 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223707248 1300236917 /nfs/dbraw/zinc/23/69/17/1300236917.db2.gz QYNOIYFMTGGMGT-QYZOEREBSA-N 2 1 333.520 2.299 20 30 EEEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290395 1300749707 /nfs/dbraw/zinc/74/97/07/1300749707.db2.gz CBGGWBUTXQTCRR-VQIMIIECSA-N 2 1 342.487 2.084 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994130 1302040203 /nfs/dbraw/zinc/04/02/03/1302040203.db2.gz RTOJVEOZSGKCFI-QRQLOZEOSA-N 2 1 333.520 2.369 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001228827669 1302469758 /nfs/dbraw/zinc/46/97/58/1302469758.db2.gz XGDWWHBYCWWJAH-WMZOPIPTSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001228827669 1302469761 /nfs/dbraw/zinc/46/97/61/1302469761.db2.gz XGDWWHBYCWWJAH-WMZOPIPTSA-N 2 1 337.508 2.031 20 30 EEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001103437392 1302961260 /nfs/dbraw/zinc/96/12/60/1302961260.db2.gz WPSYMJBXRBRWBR-HZPDHXFCSA-N 2 1 346.475 2.144 20 30 EEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001103437392 1302961262 /nfs/dbraw/zinc/96/12/62/1302961262.db2.gz WPSYMJBXRBRWBR-HZPDHXFCSA-N 2 1 346.475 2.144 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccccc2)C1 ZINC001230138089 1303082722 /nfs/dbraw/zinc/08/27/22/1303082722.db2.gz FOIJFYSBRJEJER-VAMGGRTRSA-N 2 1 339.483 2.007 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001230374307 1303182810 /nfs/dbraw/zinc/18/28/10/1303182810.db2.gz OXQXSINSCCHIOU-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001230374307 1303182813 /nfs/dbraw/zinc/18/28/13/1303182813.db2.gz OXQXSINSCCHIOU-UHFFFAOYSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591746 1303299940 /nfs/dbraw/zinc/29/99/40/1303299940.db2.gz IJGDPWYWGHJQHL-MRXNPFEDSA-N 2 1 327.900 2.394 20 30 EEEDMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233386188 1304453119 /nfs/dbraw/zinc/45/31/19/1304453119.db2.gz JEMDDYDZARXZHZ-UHFFFAOYSA-N 2 1 330.476 2.113 20 30 EEEDMP N#CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277940785 1305209635 /nfs/dbraw/zinc/20/96/35/1305209635.db2.gz GFEXFFNETGYTLL-UYAOXDASSA-N 2 1 344.503 2.089 20 30 EEEDMP N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](CCCC[NH3+])C3)C2)c1 ZINC001235638168 1305310273 /nfs/dbraw/zinc/31/02/73/1305310273.db2.gz WOBGIPWUTSJWSH-FQEVSTJZSA-N 2 1 342.487 2.216 20 30 EEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546495 1305318411 /nfs/dbraw/zinc/31/84/11/1305318411.db2.gz PSSOTESRHRLVGJ-ZWKOTPCHSA-N 2 1 349.519 2.225 20 30 EEEDMP CCOC(=O)[C@]12C[N@H+](Cc3ccc(C#N)c(CC)c3)C[C@H]1C[NH2+]CC2 ZINC001236040518 1305485401 /nfs/dbraw/zinc/48/54/01/1305485401.db2.gz OGIDDVIQRXZSJD-UYAOXDASSA-N 2 1 341.455 2.095 20 30 EEEDMP CCOC(=O)[C@]12C[N@@H+](Cc3ccc(C#N)c(CC)c3)C[C@H]1C[NH2+]CC2 ZINC001236040518 1305485414 /nfs/dbraw/zinc/48/54/14/1305485414.db2.gz OGIDDVIQRXZSJD-UYAOXDASSA-N 2 1 341.455 2.095 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCCC1 ZINC001115730684 1305681685 /nfs/dbraw/zinc/68/16/85/1305681685.db2.gz PBBWDYFFEKULMS-KRWDZBQOSA-N 2 1 342.487 2.186 20 30 EEEDMP CCc1cc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)ccc1C#N ZINC001278034266 1305753207 /nfs/dbraw/zinc/75/32/07/1305753207.db2.gz RNZXXCFPKIAUDO-VQTJNVASSA-N 2 1 326.488 2.188 20 30 EEEDMP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160866274 1320296374 /nfs/dbraw/zinc/29/63/74/1320296374.db2.gz AIFZMOAFAGVYQM-PMACEKPBSA-N 2 1 339.483 2.151 20 30 EEEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203103624 1315055440 /nfs/dbraw/zinc/05/54/40/1315055440.db2.gz LWMFCNDXRLUONZ-IAGOWNOFSA-N 2 1 331.504 2.290 20 30 EEEDMP C=CCN1CCN(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1=O ZINC000839964020 1315266437 /nfs/dbraw/zinc/26/64/37/1315266437.db2.gz MXSZQNNUZZZRQG-UHFFFAOYSA-N 2 1 334.508 2.456 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606584 1316313561 /nfs/dbraw/zinc/31/35/61/1316313561.db2.gz HGOPTFXURNTHRE-ROUUACIJSA-N 2 1 339.524 2.280 20 30 EEEDMP CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150706786 1316349491 /nfs/dbraw/zinc/34/94/91/1316349491.db2.gz NKRFCTYFRGTAKQ-MSOLQXFVSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001150706786 1316349501 /nfs/dbraw/zinc/34/95/01/1316349501.db2.gz NKRFCTYFRGTAKQ-MSOLQXFVSA-N 2 1 339.524 2.116 20 30 EEEDMP CCCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150706786 1316349505 /nfs/dbraw/zinc/34/95/05/1316349505.db2.gz NKRFCTYFRGTAKQ-MSOLQXFVSA-N 2 1 339.524 2.116 20 30 EEEDMP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001152529489 1316683792 /nfs/dbraw/zinc/68/37/92/1316683792.db2.gz PVHVLAHCZZNRAR-HXUWFJFHSA-N 2 1 335.451 2.047 20 30 EEEDMP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154344852 1317088233 /nfs/dbraw/zinc/08/82/33/1317088233.db2.gz NCJJCXUMCSFEHP-MRXNPFEDSA-N 2 1 339.443 2.090 20 30 EEEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154344852 1317088242 /nfs/dbraw/zinc/08/82/42/1317088242.db2.gz NCJJCXUMCSFEHP-MRXNPFEDSA-N 2 1 339.443 2.090 20 30 EEEDMP C#CCOC[C@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001251844237 1317507597 /nfs/dbraw/zinc/50/75/97/1317507597.db2.gz PWUVAEYYNVZFOG-SEVLPDGMSA-N 2 1 342.483 2.108 20 30 EEEDMP C#CCOC[C@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001251844237 1317507602 /nfs/dbraw/zinc/50/76/02/1317507602.db2.gz PWUVAEYYNVZFOG-SEVLPDGMSA-N 2 1 342.483 2.108 20 30 EEEDMP C#CCOC[C@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001251844237 1317507607 /nfs/dbraw/zinc/50/76/07/1317507607.db2.gz PWUVAEYYNVZFOG-SEVLPDGMSA-N 2 1 342.483 2.108 20 30 EEEDMP C#CCOC[C@H](O)C[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001251844237 1317507611 /nfs/dbraw/zinc/50/76/11/1317507611.db2.gz PWUVAEYYNVZFOG-SEVLPDGMSA-N 2 1 342.483 2.108 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC001158154953 1319046262 /nfs/dbraw/zinc/04/62/62/1319046262.db2.gz DZKTVCIDOCCFGM-LJQANCHMSA-N 2 1 342.487 2.244 20 30 EEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001158397805 1319219771 /nfs/dbraw/zinc/21/97/71/1319219771.db2.gz PULLCJQJUJNGOZ-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001158397805 1319219774 /nfs/dbraw/zinc/21/97/74/1319219774.db2.gz PULLCJQJUJNGOZ-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001158397805 1319219781 /nfs/dbraw/zinc/21/97/81/1319219781.db2.gz PULLCJQJUJNGOZ-RTBURBONSA-N 2 1 333.520 2.445 20 30 EEEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC001158403279 1319221737 /nfs/dbraw/zinc/22/17/37/1319221737.db2.gz CJNONYCJXOJARC-RBUKOAKNSA-N 2 1 345.462 2.003 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(C)C)CC1 ZINC001158914989 1319505224 /nfs/dbraw/zinc/50/52/24/1319505224.db2.gz YAKZRULPAKYVHV-LJQANCHMSA-N 2 1 333.520 2.301 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160151461 1320084816 /nfs/dbraw/zinc/08/48/16/1320084816.db2.gz VCPHESMYKJETET-KRWDZBQOSA-N 2 1 337.895 2.219 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160151461 1320084819 /nfs/dbraw/zinc/08/48/19/1320084819.db2.gz VCPHESMYKJETET-KRWDZBQOSA-N 2 1 337.895 2.219 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001160209788 1320099593 /nfs/dbraw/zinc/09/95/93/1320099593.db2.gz WURSDKDSHKYRNA-KSSFIOAISA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001160209788 1320099602 /nfs/dbraw/zinc/09/96/02/1320099602.db2.gz WURSDKDSHKYRNA-KSSFIOAISA-N 2 1 349.425 2.219 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1 ZINC001160386349 1320152079 /nfs/dbraw/zinc/15/20/79/1320152079.db2.gz UUFYTUIEFRYRLZ-UUKMXZOPSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1 ZINC001160386349 1320152084 /nfs/dbraw/zinc/15/20/84/1320152084.db2.gz UUFYTUIEFRYRLZ-UUKMXZOPSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001160386349 1320152088 /nfs/dbraw/zinc/15/20/88/1320152088.db2.gz UUFYTUIEFRYRLZ-UUKMXZOPSA-N 2 1 343.515 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001160386349 1320152092 /nfs/dbraw/zinc/15/20/92/1320152092.db2.gz UUFYTUIEFRYRLZ-UUKMXZOPSA-N 2 1 343.515 2.269 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160499345 1320176806 /nfs/dbraw/zinc/17/68/06/1320176806.db2.gz BWZSBFFFAPRMRX-INIZCTEOSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160499345 1320176807 /nfs/dbraw/zinc/17/68/07/1320176807.db2.gz BWZSBFFFAPRMRX-INIZCTEOSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499345 1320176809 /nfs/dbraw/zinc/17/68/09/1320176809.db2.gz BWZSBFFFAPRMRX-INIZCTEOSA-N 2 1 325.884 2.362 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499345 1320176811 /nfs/dbraw/zinc/17/68/11/1320176811.db2.gz BWZSBFFFAPRMRX-INIZCTEOSA-N 2 1 325.884 2.362 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001160546738 1320193293 /nfs/dbraw/zinc/19/32/93/1320193293.db2.gz WZLZVNGYLDARPS-UHFFFAOYSA-N 2 1 340.471 2.070 20 30 EEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001161027928 1320359872 /nfs/dbraw/zinc/35/98/72/1320359872.db2.gz AZOXODWJPQTHSW-KRWDZBQOSA-N 2 1 328.460 2.078 20 30 EEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001161027928 1320359877 /nfs/dbraw/zinc/35/98/77/1320359877.db2.gz AZOXODWJPQTHSW-KRWDZBQOSA-N 2 1 328.460 2.078 20 30 EEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001162928089 1320989914 /nfs/dbraw/zinc/98/99/14/1320989914.db2.gz FAXKRXMKZXWJET-IEBWSBKVSA-N 2 1 329.488 2.031 20 30 EEEDMP C=CCn1ccc2c1nc[nH+]c2NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163268799 1321082638 /nfs/dbraw/zinc/08/26/38/1321082638.db2.gz FVZHFJSWLUQYSX-KDOFPFPSSA-N 2 1 327.432 2.188 20 30 EEEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164536640 1321411525 /nfs/dbraw/zinc/41/15/25/1321411525.db2.gz PBOZTOHCCIKQJY-KRWDZBQOSA-N 2 1 331.504 2.150 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001166627413 1321753603 /nfs/dbraw/zinc/75/36/03/1321753603.db2.gz VBYFYSSVYLNAEY-MRXNPFEDSA-N 2 1 347.890 2.272 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001205345580 1322355012 /nfs/dbraw/zinc/35/50/12/1322355012.db2.gz RKAZFAPXMIXJSM-SFHVURJKSA-N 2 1 345.491 2.194 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001205345580 1322355020 /nfs/dbraw/zinc/35/50/20/1322355020.db2.gz RKAZFAPXMIXJSM-SFHVURJKSA-N 2 1 345.491 2.194 20 30 EEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001205345853 1322355548 /nfs/dbraw/zinc/35/55/48/1322355548.db2.gz ZTSREMIXXZDOMS-GOSISDBHSA-N 2 1 345.491 2.194 20 30 EEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001205345853 1322355560 /nfs/dbraw/zinc/35/55/60/1322355560.db2.gz ZTSREMIXXZDOMS-GOSISDBHSA-N 2 1 345.491 2.194 20 30 EEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458626 1323144939 /nfs/dbraw/zinc/14/49/39/1323144939.db2.gz PZZMWOKTXJZHBC-RBUKOAKNSA-N 2 1 345.462 2.073 20 30 EEEDMP C=CCC[NH2+]CC1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC001206460241 1323500976 /nfs/dbraw/zinc/50/09/76/1323500976.db2.gz VYRVSQDEDWWZLT-UHFFFAOYSA-N 2 1 349.519 2.036 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208668254 1324612387 /nfs/dbraw/zinc/61/23/87/1324612387.db2.gz OFGLZZDHJWSTAN-IEBWSBKVSA-N 2 1 329.488 2.174 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208668254 1324612393 /nfs/dbraw/zinc/61/23/93/1324612393.db2.gz OFGLZZDHJWSTAN-IEBWSBKVSA-N 2 1 329.488 2.174 20 30 EEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208668254 1324612398 /nfs/dbraw/zinc/61/23/98/1324612398.db2.gz OFGLZZDHJWSTAN-IEBWSBKVSA-N 2 1 329.488 2.174 20 30 EEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208668254 1324612403 /nfs/dbraw/zinc/61/24/03/1324612403.db2.gz OFGLZZDHJWSTAN-IEBWSBKVSA-N 2 1 329.488 2.174 20 30 EEEDMP C=CCCC[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001209160793 1324827788 /nfs/dbraw/zinc/82/77/88/1324827788.db2.gz CDAPHKPPNRRELD-UHFFFAOYSA-N 2 1 333.480 2.062 20 30 EEEDMP C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001210477353 1325300262 /nfs/dbraw/zinc/30/02/62/1325300262.db2.gz RUMFWEMIDSYHDY-TZMCWYRMSA-N 2 1 346.313 2.063 20 30 EEEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001340207424 1337137618 /nfs/dbraw/zinc/13/76/18/1337137618.db2.gz PLEMRSMANAXJFX-IRXDYDNUSA-N 2 1 346.523 2.194 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702031 1370559927 /nfs/dbraw/zinc/55/99/27/1370559927.db2.gz RXKQNVREQXSSDC-HKUYNNGSSA-N 2 1 341.499 2.397 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001112396943 1371430516 /nfs/dbraw/zinc/43/05/16/1371430516.db2.gz LSRDZZVEZDWPCX-CUWPLCDZSA-N 2 1 343.515 2.245 20 30 EEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001389729501 1388273045 /nfs/dbraw/zinc/27/30/45/1388273045.db2.gz OQIBHIUELITIGY-OAHLLOKOSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001368671518 1374448373 /nfs/dbraw/zinc/44/83/73/1374448373.db2.gz XULCMNXKUJQMJJ-CQSZACIVSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001368671518 1374448377 /nfs/dbraw/zinc/44/83/77/1374448377.db2.gz XULCMNXKUJQMJJ-CQSZACIVSA-N 2 1 327.900 2.440 20 30 EEEDMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1cccc(C#N)c1 ZINC001372483177 1376032956 /nfs/dbraw/zinc/03/29/56/1376032956.db2.gz ZRGDIHBBBGWGPO-UHFFFAOYSA-N 2 1 342.487 2.372 20 30 EEEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001374933559 1377194969 /nfs/dbraw/zinc/19/49/69/1377194969.db2.gz KATNABMVILVFEI-AWEZNQCLSA-N 2 1 348.466 2.270 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001390609343 1388697531 /nfs/dbraw/zinc/69/75/31/1388697531.db2.gz HLAZIFITIMBNKW-CABCVRRESA-N 2 1 348.516 2.479 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001380670371 1381330662 /nfs/dbraw/zinc/33/06/62/1381330662.db2.gz NNYPNFWITQNRSE-LSDHHAIUSA-N 2 1 348.516 2.288 20 30 EEEDMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001381177926 1381547609 /nfs/dbraw/zinc/54/76/09/1381547609.db2.gz YJVOXNKHPHUCQD-CABCVRRESA-N 2 1 348.516 2.431 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001381621193 1381694196 /nfs/dbraw/zinc/69/41/96/1381694196.db2.gz GNHCORGWGHFRBU-RDTXWAMCSA-N 2 1 348.466 2.220 20 30 EEEDMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001381621193 1381694198 /nfs/dbraw/zinc/69/41/98/1381694198.db2.gz GNHCORGWGHFRBU-RDTXWAMCSA-N 2 1 348.466 2.220 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001382361676 1382086854 /nfs/dbraw/zinc/08/68/54/1382086854.db2.gz QIWYQKDCTPFWIM-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001382361676 1382086860 /nfs/dbraw/zinc/08/68/60/1382086860.db2.gz QIWYQKDCTPFWIM-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001382361676 1382086863 /nfs/dbraw/zinc/08/68/63/1382086863.db2.gz QIWYQKDCTPFWIM-APWZRJJASA-N 2 1 342.487 2.369 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391885764 1389686020 /nfs/dbraw/zinc/68/60/20/1389686020.db2.gz HEUTVFVDDZIFNB-APWZRJJASA-N 2 1 342.487 2.273 20 30 EEEDMP C[N@@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001397124316 1391094189 /nfs/dbraw/zinc/09/41/89/1391094189.db2.gz WWISPVUHMIVRIM-IYARVYRRSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC/C=C\CC)C1 ZINC001753332572 1406730413 /nfs/dbraw/zinc/73/04/13/1406730413.db2.gz QHNKUAYRXNCQJG-WYNBNGFRSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001753332572 1406730417 /nfs/dbraw/zinc/73/04/17/1406730417.db2.gz QHNKUAYRXNCQJG-WYNBNGFRSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC/C=C\CC)C1 ZINC001753332572 1406730423 /nfs/dbraw/zinc/73/04/23/1406730423.db2.gz QHNKUAYRXNCQJG-WYNBNGFRSA-N 2 1 331.504 2.269 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC/C=C\CC)C1 ZINC001753332572 1406730429 /nfs/dbraw/zinc/73/04/29/1406730429.db2.gz QHNKUAYRXNCQJG-WYNBNGFRSA-N 2 1 331.504 2.269 20 30 EEEDMP CCN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001754053752 1406828568 /nfs/dbraw/zinc/82/85/68/1406828568.db2.gz AVKYFRSJOOOFIZ-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP CCN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001754053752 1406828576 /nfs/dbraw/zinc/82/85/76/1406828576.db2.gz AVKYFRSJOOOFIZ-GOSISDBHSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001423317406 1400517144 /nfs/dbraw/zinc/51/71/44/1400517144.db2.gz FEMHGRNVFMCMDU-XJKSGUPXSA-N 2 1 334.489 2.041 20 30 EEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001755161997 1407171165 /nfs/dbraw/zinc/17/11/65/1407171165.db2.gz PCWOUFUWRFROPM-HUUCEWRRSA-N 2 1 334.464 2.285 20 30 EEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001755161997 1407171170 /nfs/dbraw/zinc/17/11/70/1407171170.db2.gz PCWOUFUWRFROPM-HUUCEWRRSA-N 2 1 334.464 2.285 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001751991571 1406167463 /nfs/dbraw/zinc/16/74/63/1406167463.db2.gz JJPVHUOYEXBIMR-LPHOPBHVSA-N 2 1 345.462 2.422 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001751991571 1406167470 /nfs/dbraw/zinc/16/74/70/1406167470.db2.gz JJPVHUOYEXBIMR-LPHOPBHVSA-N 2 1 345.462 2.422 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001751991571 1406167479 /nfs/dbraw/zinc/16/74/79/1406167479.db2.gz JJPVHUOYEXBIMR-LPHOPBHVSA-N 2 1 345.462 2.422 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001751991571 1406167487 /nfs/dbraw/zinc/16/74/87/1406167487.db2.gz JJPVHUOYEXBIMR-LPHOPBHVSA-N 2 1 345.462 2.422 20 30 EEEDMP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755521743 1407580618 /nfs/dbraw/zinc/58/06/18/1407580618.db2.gz PIIGJAFUGVFHOJ-AZUAARDMSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115578031 757849163 /nfs/dbraw/zinc/84/91/63/757849163.db2.gz VQSLBEGKUSMHAR-UBAGTECSSA-N 2 1 337.895 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115578031 757849175 /nfs/dbraw/zinc/84/91/75/757849175.db2.gz VQSLBEGKUSMHAR-UBAGTECSSA-N 2 1 337.895 2.245 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167627531 760768508 /nfs/dbraw/zinc/76/85/08/760768508.db2.gz PDROINUADYXBOG-CQSZACIVSA-N 2 1 346.313 2.254 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@H]21 ZINC001087306026 761553303 /nfs/dbraw/zinc/55/33/03/761553303.db2.gz BYSIPQSJSFDVCU-NJAFHUGGSA-N 2 1 342.487 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@H]21 ZINC001087306026 761553308 /nfs/dbraw/zinc/55/33/08/761553308.db2.gz BYSIPQSJSFDVCU-NJAFHUGGSA-N 2 1 342.487 2.245 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317035 761613135 /nfs/dbraw/zinc/61/31/35/761613135.db2.gz BDSDJTXACBWSJQ-NJAFHUGGSA-N 2 1 330.476 2.373 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317035 761613139 /nfs/dbraw/zinc/61/31/39/761613139.db2.gz BDSDJTXACBWSJQ-NJAFHUGGSA-N 2 1 330.476 2.373 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC)CC(C)(C)C1 ZINC001089408921 768847389 /nfs/dbraw/zinc/84/73/89/768847389.db2.gz JDFLYPNFBSDPLS-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC)CC(C)(C)C1 ZINC001089408921 768847405 /nfs/dbraw/zinc/84/74/05/768847405.db2.gz JDFLYPNFBSDPLS-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC)CC(C)(C)C1 ZINC001089408921 768847418 /nfs/dbraw/zinc/84/74/18/768847418.db2.gz JDFLYPNFBSDPLS-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC)CC(C)(C)C1 ZINC001089408921 768847427 /nfs/dbraw/zinc/84/74/27/768847427.db2.gz JDFLYPNFBSDPLS-ROUUACIJSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509071 770001761 /nfs/dbraw/zinc/00/17/61/770001761.db2.gz DRKZIKOGXIKQQG-ZWKOTPCHSA-N 2 1 333.520 2.491 20 30 EEEDMP C=CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000995260552 782894358 /nfs/dbraw/zinc/89/43/58/782894358.db2.gz RQJNFAADRIWNDH-RTBURBONSA-N 2 1 342.487 2.012 20 30 EEEDMP C=CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000995260552 782894365 /nfs/dbraw/zinc/89/43/65/782894365.db2.gz RQJNFAADRIWNDH-RTBURBONSA-N 2 1 342.487 2.012 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000995260552 782894375 /nfs/dbraw/zinc/89/43/75/782894375.db2.gz RQJNFAADRIWNDH-RTBURBONSA-N 2 1 342.487 2.012 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212821 783065528 /nfs/dbraw/zinc/06/55/28/783065528.db2.gz SKESXMRZUGYHJD-HSALFYBXSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108097385 783095534 /nfs/dbraw/zinc/09/55/34/783095534.db2.gz IFNUWEGNKMPKPS-ICSRJNTNSA-N 2 1 349.519 2.034 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C/C=C/Cl)[C@@H](C)C2)CC1 ZINC000948070294 773434254 /nfs/dbraw/zinc/43/42/54/773434254.db2.gz OLJSUJBGMCLXBO-GRNKITJOSA-N 2 1 337.895 2.053 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001031742333 774202882 /nfs/dbraw/zinc/20/28/82/774202882.db2.gz BFJSBIYRHSDVED-PMACEKPBSA-N 2 1 339.483 2.283 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001031742333 774202885 /nfs/dbraw/zinc/20/28/85/774202885.db2.gz BFJSBIYRHSDVED-PMACEKPBSA-N 2 1 339.483 2.283 20 30 EEEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089732204 774794367 /nfs/dbraw/zinc/79/43/67/774794367.db2.gz OZEJZQWOFVKFTG-LSDHHAIUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001089732204 774794375 /nfs/dbraw/zinc/79/43/75/774794375.db2.gz OZEJZQWOFVKFTG-LSDHHAIUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089732204 774794382 /nfs/dbraw/zinc/79/43/82/774794382.db2.gz OZEJZQWOFVKFTG-LSDHHAIUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089732204 774794387 /nfs/dbraw/zinc/79/43/87/774794387.db2.gz OZEJZQWOFVKFTG-LSDHHAIUSA-N 2 1 327.900 2.297 20 30 EEEDMP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000981341536 777186138 /nfs/dbraw/zinc/18/61/38/777186138.db2.gz VRZQDIIYOCWWLZ-HUUCEWRRSA-N 2 1 332.448 2.087 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000981334711 777190688 /nfs/dbraw/zinc/19/06/88/777190688.db2.gz ODNWTOJWSIAWIV-CABCVRRESA-N 2 1 327.900 2.488 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946807661 783530617 /nfs/dbraw/zinc/53/06/17/783530617.db2.gz BUFURGKHCAGEAR-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946807661 783530626 /nfs/dbraw/zinc/53/06/26/783530626.db2.gz BUFURGKHCAGEAR-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946807661 783530632 /nfs/dbraw/zinc/53/06/32/783530632.db2.gz BUFURGKHCAGEAR-ZCNNSNEGSA-N 2 1 345.531 2.443 20 30 EEEDMP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481752 783836877 /nfs/dbraw/zinc/83/68/77/783836877.db2.gz WVKCIRVVTAOZNN-MSOLQXFVSA-N 2 1 329.488 2.057 20 30 EEEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035199813 784038734 /nfs/dbraw/zinc/03/87/34/784038734.db2.gz PQRILXAGQFNYEG-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199813 784038738 /nfs/dbraw/zinc/03/87/38/784038738.db2.gz PQRILXAGQFNYEG-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199813 784038743 /nfs/dbraw/zinc/03/87/43/784038743.db2.gz PQRILXAGQFNYEG-SFHVURJKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035200279 784039961 /nfs/dbraw/zinc/03/99/61/784039961.db2.gz OEYDLFOVWQJADO-UHFFFAOYSA-N 2 1 343.515 2.200 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035193438 784082544 /nfs/dbraw/zinc/08/25/44/784082544.db2.gz CNQPWPQHHQNIOM-MRXNPFEDSA-N 2 1 339.911 2.394 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135860364 784648234 /nfs/dbraw/zinc/64/82/34/784648234.db2.gz ATFMZLRKFOBWAA-HUUCEWRRSA-N 2 1 348.466 2.412 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001036239576 786076795 /nfs/dbraw/zinc/07/67/95/786076795.db2.gz LYBBIKPUTHMOKZ-CRAIPNDOSA-N 2 1 339.443 2.284 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC=C)CC2 ZINC001107441175 787251507 /nfs/dbraw/zinc/25/15/07/787251507.db2.gz PSAMAFNNYDHURR-QKNQBKEWSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC=C)CC2 ZINC001107441175 787251510 /nfs/dbraw/zinc/25/15/10/787251510.db2.gz PSAMAFNNYDHURR-QKNQBKEWSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC=C)CC2 ZINC001107441175 787251518 /nfs/dbraw/zinc/25/15/18/787251518.db2.gz PSAMAFNNYDHURR-QKNQBKEWSA-N 2 1 343.515 2.411 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC=C)CC2 ZINC001107441175 787251525 /nfs/dbraw/zinc/25/15/25/787251525.db2.gz PSAMAFNNYDHURR-QKNQBKEWSA-N 2 1 343.515 2.411 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107564100 787663143 /nfs/dbraw/zinc/66/31/43/787663143.db2.gz IDWFOWICIUFGBI-YLJYHZDGSA-N 2 1 342.487 2.391 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107564100 787663149 /nfs/dbraw/zinc/66/31/49/787663149.db2.gz IDWFOWICIUFGBI-YLJYHZDGSA-N 2 1 342.487 2.391 20 30 EEEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCCCCC)CCC[C@@H]12 ZINC001107581693 787744845 /nfs/dbraw/zinc/74/48/45/787744845.db2.gz JBUCKNZJVZPHRF-UYAOXDASSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001107581693 787744851 /nfs/dbraw/zinc/74/48/51/787744851.db2.gz JBUCKNZJVZPHRF-UYAOXDASSA-N 2 1 333.520 2.493 20 30 EEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001107581693 787744857 /nfs/dbraw/zinc/74/48/57/787744857.db2.gz JBUCKNZJVZPHRF-UYAOXDASSA-N 2 1 333.520 2.493 20 30 EEEDMP C=CCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001099570547 787955301 /nfs/dbraw/zinc/95/53/01/787955301.db2.gz RTJGRZNJLOXHFN-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099570547 787955306 /nfs/dbraw/zinc/95/53/06/787955306.db2.gz RTJGRZNJLOXHFN-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001099570547 787955309 /nfs/dbraw/zinc/95/53/09/787955309.db2.gz RTJGRZNJLOXHFN-MSOLQXFVSA-N 2 1 349.519 2.034 20 30 EEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000923359570 789450328 /nfs/dbraw/zinc/45/03/28/789450328.db2.gz SBRPHNJDYDMJEV-GBESFXJTSA-N 2 1 343.471 2.010 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112285489 789496556 /nfs/dbraw/zinc/49/65/56/789496556.db2.gz ZGGKIYWHPSRUMZ-ZOBUZTSGSA-N 2 1 325.884 2.051 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2C)C1 ZINC001091076210 789727565 /nfs/dbraw/zinc/72/75/65/789727565.db2.gz RPWTXWMBTCSAIT-UUKMXZOPSA-N 2 1 339.483 2.077 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2C)C1 ZINC001091076210 789727573 /nfs/dbraw/zinc/72/75/73/789727573.db2.gz RPWTXWMBTCSAIT-UUKMXZOPSA-N 2 1 339.483 2.077 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908906 789795189 /nfs/dbraw/zinc/79/51/89/789795189.db2.gz HHPKRDSYCVZPGD-OKYOBFRVSA-N 2 1 331.504 2.217 20 30 EEEDMP CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089909106 789835052 /nfs/dbraw/zinc/83/50/52/789835052.db2.gz HZDKMCPNQTYOHH-YRPNKDGESA-N 2 1 343.515 2.055 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC000991879989 791227303 /nfs/dbraw/zinc/22/73/03/791227303.db2.gz BEYHRFFCQOPZFF-IEBWSBKVSA-N 2 1 328.460 2.061 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC000991879989 791227316 /nfs/dbraw/zinc/22/73/16/791227316.db2.gz BEYHRFFCQOPZFF-IEBWSBKVSA-N 2 1 328.460 2.061 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000997832851 791251764 /nfs/dbraw/zinc/25/17/64/791251764.db2.gz XHXUUHOJJYPMTK-SFHVURJKSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000997832851 791251771 /nfs/dbraw/zinc/25/17/71/791251771.db2.gz XHXUUHOJJYPMTK-SFHVURJKSA-N 2 1 345.512 2.174 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCCCC=C)C2 ZINC001147736670 791936835 /nfs/dbraw/zinc/93/68/35/791936835.db2.gz BTESMZOOBRUYOU-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCCCC=C)C2 ZINC001147736670 791936838 /nfs/dbraw/zinc/93/68/38/791936838.db2.gz BTESMZOOBRUYOU-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCCCC=C)C2 ZINC001147736670 791936841 /nfs/dbraw/zinc/93/68/41/791936841.db2.gz BTESMZOOBRUYOU-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCCCC=C)C2 ZINC001147736670 791936844 /nfs/dbraw/zinc/93/68/44/791936844.db2.gz BTESMZOOBRUYOU-IBGZPJMESA-N 2 1 343.515 2.365 20 30 EEEDMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001147822847 791981424 /nfs/dbraw/zinc/98/14/24/791981424.db2.gz BUWWACHXFOXXMG-KBXCAEBGSA-N 2 1 346.450 2.024 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccsc3)[C@@H]2C)CC1 ZINC001089059335 792021089 /nfs/dbraw/zinc/02/10/89/792021089.db2.gz IOJFXEWAUQBIOH-QAPCUYQASA-N 2 1 345.512 2.172 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3)C[C@]2(C)C1 ZINC001092057263 793523605 /nfs/dbraw/zinc/52/36/05/793523605.db2.gz OOQZCGZPBLHQEH-INMHGKMJSA-N 2 1 336.867 2.367 20 30 EEEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907436 794426889 /nfs/dbraw/zinc/42/68/89/794426889.db2.gz NENHJZAOABVMJU-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907436 794426895 /nfs/dbraw/zinc/42/68/95/794426895.db2.gz NENHJZAOABVMJU-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907436 794426906 /nfs/dbraw/zinc/42/69/06/794426906.db2.gz NENHJZAOABVMJU-LMMKCTJWSA-N 2 1 331.504 2.101 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036730862 794676252 /nfs/dbraw/zinc/67/62/52/794676252.db2.gz KIVAWRUEWHTPBK-WBVHZDCISA-N 2 1 345.512 2.369 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2[N@H+](CC)CC23CCC3)CC1 ZINC001093371348 795102981 /nfs/dbraw/zinc/10/29/81/795102981.db2.gz PALRVGGNDFFFJQ-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001093371348 795102982 /nfs/dbraw/zinc/10/29/82/795102982.db2.gz PALRVGGNDFFFJQ-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2[NH+](CC)CC23CCC3)CC1 ZINC001093371348 795102983 /nfs/dbraw/zinc/10/29/83/795102983.db2.gz PALRVGGNDFFFJQ-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2[NH+](CC)CC23CCC3)CC1 ZINC001093371348 795102984 /nfs/dbraw/zinc/10/29/84/795102984.db2.gz PALRVGGNDFFFJQ-OALUTQOASA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC/C=C\CC)CC1 ZINC001110147214 795387876 /nfs/dbraw/zinc/38/78/76/795387876.db2.gz PWEOJYXLRPQNSA-ZOYAEOFMSA-N 2 1 343.515 2.409 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC=C)CC1 ZINC001110152289 795871289 /nfs/dbraw/zinc/87/12/89/795871289.db2.gz MZBDZRXXLMPKMX-QYZOEREBSA-N 2 1 329.488 2.019 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318206 795881611 /nfs/dbraw/zinc/88/16/11/795881611.db2.gz KDUSPUPGJJPXSG-BHIYHBOVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318206 795881619 /nfs/dbraw/zinc/88/16/19/795881619.db2.gz KDUSPUPGJJPXSG-BHIYHBOVSA-N 2 1 331.504 2.243 20 30 EEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318206 795881627 /nfs/dbraw/zinc/88/16/27/795881627.db2.gz KDUSPUPGJJPXSG-BHIYHBOVSA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441361 796014691 /nfs/dbraw/zinc/01/46/91/796014691.db2.gz KABOCBVORRSYBH-RKVPGOIHSA-N 2 1 325.472 2.212 20 30 EEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001080441361 796014695 /nfs/dbraw/zinc/01/46/95/796014695.db2.gz KABOCBVORRSYBH-RKVPGOIHSA-N 2 1 325.472 2.212 20 30 EEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001080441361 796014700 /nfs/dbraw/zinc/01/47/00/796014700.db2.gz KABOCBVORRSYBH-RKVPGOIHSA-N 2 1 325.472 2.212 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCC3CC3)C2)CC1 ZINC001036901956 796438966 /nfs/dbraw/zinc/43/89/66/796438966.db2.gz BILSPAHDJSIFLR-UXHICEINSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC=C(C)C)C2)CC1 ZINC001036902853 796441838 /nfs/dbraw/zinc/44/18/38/796441838.db2.gz QVVCCLUKIFZIDQ-VQTJNVASSA-N 2 1 343.515 2.221 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCC(C)C)C2)CC1 ZINC001036904941 796447974 /nfs/dbraw/zinc/44/79/74/796447974.db2.gz ZWOKXKJSDZOALD-VQTJNVASSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C12CCC2 ZINC001078683982 796813950 /nfs/dbraw/zinc/81/39/50/796813950.db2.gz ZSOZCUIUGWENCB-ZWKOTPCHSA-N 2 1 342.487 2.355 20 30 EEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262733 798059857 /nfs/dbraw/zinc/05/98/57/798059857.db2.gz LCTXVIFMIPSBNA-APWZRJJASA-N 2 1 339.499 2.487 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018698 798613020 /nfs/dbraw/zinc/61/30/20/798613020.db2.gz LCILPHAFHFNDII-LMMKCTJWSA-N 2 1 342.487 2.253 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018698 798613023 /nfs/dbraw/zinc/61/30/23/798613023.db2.gz LCILPHAFHFNDII-LMMKCTJWSA-N 2 1 342.487 2.253 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049620 798638319 /nfs/dbraw/zinc/63/83/19/798638319.db2.gz OEGVBFPRUJASSN-QRVBRYPASA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178526950 799508813 /nfs/dbraw/zinc/50/88/13/799508813.db2.gz FTFBZJXAUSBIJT-ZWKOTPCHSA-N 2 1 339.524 2.186 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001004460256 802128440 /nfs/dbraw/zinc/12/84/40/802128440.db2.gz YOBSRIJSFSYKMH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCC)CC1 ZINC001004460256 802128445 /nfs/dbraw/zinc/12/84/45/802128445.db2.gz YOBSRIJSFSYKMH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001004460256 802128448 /nfs/dbraw/zinc/12/84/48/802128448.db2.gz YOBSRIJSFSYKMH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCC)CC1 ZINC001004460256 802128450 /nfs/dbraw/zinc/12/84/50/802128450.db2.gz YOBSRIJSFSYKMH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCC)CC1 ZINC001004460256 802128452 /nfs/dbraw/zinc/12/84/52/802128452.db2.gz YOBSRIJSFSYKMH-OALUTQOASA-N 2 1 331.504 2.197 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004486567 802190264 /nfs/dbraw/zinc/19/02/64/802190264.db2.gz WLKQIMRIUOBCNX-SFHVURJKSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004486567 802190267 /nfs/dbraw/zinc/19/02/67/802190267.db2.gz WLKQIMRIUOBCNX-SFHVURJKSA-N 2 1 330.476 2.471 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642287 802550435 /nfs/dbraw/zinc/55/04/35/802550435.db2.gz CKHXXBWFEWJULP-WCIQWLHISA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642287 802550438 /nfs/dbraw/zinc/55/04/38/802550438.db2.gz CKHXXBWFEWJULP-WCIQWLHISA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642287 802550443 /nfs/dbraw/zinc/55/04/43/802550443.db2.gz CKHXXBWFEWJULP-WCIQWLHISA-N 2 1 343.515 2.197 20 30 EEEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399861 803463310 /nfs/dbraw/zinc/46/33/10/803463310.db2.gz YOSNDCONKXGTMI-LJQANCHMSA-N 2 1 337.508 2.036 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437323964 1089488032 /nfs/dbraw/zinc/48/80/32/1089488032.db2.gz DXTAURZSMRETAI-OALUTQOASA-N 2 1 342.487 2.417 20 30 EEEDMP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1C#N ZINC001437758838 1090330607 /nfs/dbraw/zinc/33/06/07/1090330607.db2.gz JRJJDDDTRSUKEJ-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1C#N ZINC001437758838 1090330614 /nfs/dbraw/zinc/33/06/14/1090330614.db2.gz JRJJDDDTRSUKEJ-UHFFFAOYSA-N 2 1 342.487 2.228 20 30 EEEDMP C[N@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001438209072 1090695775 /nfs/dbraw/zinc/69/57/75/1090695775.db2.gz CXOXNOQIOVWTRF-GOSISDBHSA-N 2 1 342.487 2.227 20 30 EEEDMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001438209072 1090695776 /nfs/dbraw/zinc/69/57/76/1090695776.db2.gz CXOXNOQIOVWTRF-GOSISDBHSA-N 2 1 342.487 2.227 20 30 EEEDMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001438209072 1090695777 /nfs/dbraw/zinc/69/57/77/1090695777.db2.gz CXOXNOQIOVWTRF-GOSISDBHSA-N 2 1 342.487 2.227 20 30 EEEDMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001438209072 1090695778 /nfs/dbraw/zinc/69/57/78/1090695778.db2.gz CXOXNOQIOVWTRF-GOSISDBHSA-N 2 1 342.487 2.227 20 30 EEEDMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001438309258 1090788277 /nfs/dbraw/zinc/78/82/77/1090788277.db2.gz ARCNMKSHYFMDPI-INIZCTEOSA-N 2 1 346.450 2.166 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001448978037 1093981726 /nfs/dbraw/zinc/98/17/26/1093981726.db2.gz PGPLPKPMINUHAQ-WBVHZDCISA-N 2 1 335.879 2.450 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001448978037 1093981728 /nfs/dbraw/zinc/98/17/28/1093981728.db2.gz PGPLPKPMINUHAQ-WBVHZDCISA-N 2 1 335.879 2.450 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC001507293178 1115177453 /nfs/dbraw/zinc/17/74/53/1115177453.db2.gz PHKGVYKMFULASP-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000442767270 242110203 /nfs/dbraw/zinc/11/02/03/242110203.db2.gz MJWMXKLUBYWLTP-FUHWJXTLSA-N 2 1 331.460 2.425 20 30 EEEDMP C#CC(C)(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000491658930 532983838 /nfs/dbraw/zinc/98/38/38/532983838.db2.gz WQCADIMNUYTUJG-UHFFFAOYSA-N 2 1 341.499 2.419 20 30 EEEDMP C#CC(C)(C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000491658930 532983846 /nfs/dbraw/zinc/98/38/46/532983846.db2.gz WQCADIMNUYTUJG-UHFFFAOYSA-N 2 1 341.499 2.419 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000491808542 533100447 /nfs/dbraw/zinc/10/04/47/533100447.db2.gz WFDGCRNGZWWLKD-RBUKOAKNSA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000491808542 533100459 /nfs/dbraw/zinc/10/04/59/533100459.db2.gz WFDGCRNGZWWLKD-RBUKOAKNSA-N 2 1 348.535 2.238 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000491808542 533100463 /nfs/dbraw/zinc/10/04/63/533100463.db2.gz WFDGCRNGZWWLKD-RBUKOAKNSA-N 2 1 348.535 2.238 20 30 EEEDMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000275203702 266123214 /nfs/dbraw/zinc/12/32/14/266123214.db2.gz GSWXSHUCDYFJSF-INIZCTEOSA-N 2 1 328.460 2.105 20 30 EEEDMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000275203702 266123218 /nfs/dbraw/zinc/12/32/18/266123218.db2.gz GSWXSHUCDYFJSF-INIZCTEOSA-N 2 1 328.460 2.105 20 30 EEEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000559290179 318744237 /nfs/dbraw/zinc/74/42/37/318744237.db2.gz LMDJJVHKHCJYHM-HOTGVXAUSA-N 2 1 328.460 2.274 20 30 EEEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000491327844 468351523 /nfs/dbraw/zinc/35/15/23/468351523.db2.gz YGWWIMSYPMMYLY-MJGOQNOKSA-N 2 1 342.487 2.076 20 30 EEEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000491327844 468351524 /nfs/dbraw/zinc/35/15/24/468351524.db2.gz YGWWIMSYPMMYLY-MJGOQNOKSA-N 2 1 342.487 2.076 20 30 EEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000491327844 468351527 /nfs/dbraw/zinc/35/15/27/468351527.db2.gz YGWWIMSYPMMYLY-MJGOQNOKSA-N 2 1 342.487 2.076 20 30 EEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc2sccc2c1 ZINC000290655417 464128284 /nfs/dbraw/zinc/12/82/84/464128284.db2.gz NGXATRBMSGNBCM-UHFFFAOYSA-N 2 1 332.473 2.028 20 30 EEEDMP C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248610538 464772310 /nfs/dbraw/zinc/77/23/10/464772310.db2.gz XMQODSDQXXXOBK-YZVOILCLSA-N 2 1 332.492 2.037 20 30 EEEDMP C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248610538 464772318 /nfs/dbraw/zinc/77/23/18/464772318.db2.gz XMQODSDQXXXOBK-YZVOILCLSA-N 2 1 332.492 2.037 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)c(OC)c1 ZINC000349065112 465946747 /nfs/dbraw/zinc/94/67/47/465946747.db2.gz XNCBQQHRYNDUHC-LJQANCHMSA-N 2 1 344.503 2.415 20 30 EEEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000171704144 526432231 /nfs/dbraw/zinc/43/22/31/526432231.db2.gz HWLKHOUOCUZTSB-UHFFFAOYSA-N 2 1 344.503 2.458 20 30 EEEDMP C=CCC[C@@H](O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370496327 527452334 /nfs/dbraw/zinc/45/23/34/527452334.db2.gz NMMOSHNVKJGOII-HXUWFJFHSA-N 2 1 337.552 2.442 20 30 EEEDMP C=CCC[C@@H](O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370496327 527452340 /nfs/dbraw/zinc/45/23/40/527452340.db2.gz NMMOSHNVKJGOII-HXUWFJFHSA-N 3 1 337.552 2.442 20 30 EEEDMP C=CCC[C@@H](O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370496327 527452349 /nfs/dbraw/zinc/45/23/49/527452349.db2.gz NMMOSHNVKJGOII-HXUWFJFHSA-N 3 1 337.552 2.442 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000730281454 577015574 /nfs/dbraw/zinc/01/55/74/577015574.db2.gz WKYJXGTZYKOQKN-FQEVSTJZSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000730281454 577015575 /nfs/dbraw/zinc/01/55/75/577015575.db2.gz WKYJXGTZYKOQKN-FQEVSTJZSA-N 2 1 339.483 2.112 20 30 EEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969154204 674641068 /nfs/dbraw/zinc/64/10/68/674641068.db2.gz ZKZVLHGADURQSJ-IBGZPJMESA-N 2 1 327.472 2.356 20 30 EEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614136 675264455 /nfs/dbraw/zinc/26/44/55/675264455.db2.gz KSXGOGDZAJIIDK-TVFCKZIOSA-N 2 1 347.890 2.321 20 30 EEEDMP C=C(Cl)CN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319246 675787972 /nfs/dbraw/zinc/78/79/72/675787972.db2.gz SEACAOGCMVBXCJ-LSDHHAIUSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711620 676369668 /nfs/dbraw/zinc/36/96/68/676369668.db2.gz YYRHQNIYKQQJMH-UXHICEINSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737570 676395799 /nfs/dbraw/zinc/39/57/99/676395799.db2.gz VTVYPWLNUKUYIF-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737570 676395802 /nfs/dbraw/zinc/39/58/02/676395802.db2.gz VTVYPWLNUKUYIF-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001022221743 676743037 /nfs/dbraw/zinc/74/30/37/676743037.db2.gz NHZAPUBPBQHYEG-OAOYMFHYSA-N 2 1 343.446 2.221 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001022221743 676743038 /nfs/dbraw/zinc/74/30/38/676743038.db2.gz NHZAPUBPBQHYEG-OAOYMFHYSA-N 2 1 343.446 2.221 20 30 EEEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331155 678553490 /nfs/dbraw/zinc/55/34/90/678553490.db2.gz INPZMKWLNVBPAG-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331155 678553495 /nfs/dbraw/zinc/55/34/95/678553495.db2.gz INPZMKWLNVBPAG-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331155 678553499 /nfs/dbraw/zinc/55/34/99/678553499.db2.gz INPZMKWLNVBPAG-LPHOPBHVSA-N 2 1 340.471 2.075 20 30 EEEDMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC000972354835 678594970 /nfs/dbraw/zinc/59/49/70/678594970.db2.gz PWMAMWJCLKAGSG-AEFFLSMTSA-N 2 1 346.450 2.070 20 30 EEEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725887 682111319 /nfs/dbraw/zinc/11/13/19/682111319.db2.gz PJYNBSRMOUZVPR-UKAVVXHISA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982735442 682120574 /nfs/dbraw/zinc/12/05/74/682120574.db2.gz HPPNGHVHSMHTIE-YSIASYRMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982735442 682120576 /nfs/dbraw/zinc/12/05/76/682120576.db2.gz HPPNGHVHSMHTIE-YSIASYRMSA-N 2 1 333.520 2.465 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982735442 682120578 /nfs/dbraw/zinc/12/05/78/682120578.db2.gz HPPNGHVHSMHTIE-YSIASYRMSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258047 682336282 /nfs/dbraw/zinc/33/62/82/682336282.db2.gz CHBYXQGETCWWDY-QZTJIDSGSA-N 2 1 343.471 2.434 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433886 682752404 /nfs/dbraw/zinc/75/24/04/682752404.db2.gz PSVMTFZDIRKJPT-HUUCEWRRSA-N 2 1 333.501 2.273 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557146 682995084 /nfs/dbraw/zinc/99/50/84/682995084.db2.gz FCLYREGYCCKEPT-QFBILLFUSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978639486 693764382 /nfs/dbraw/zinc/76/43/82/693764382.db2.gz OSBKKSOWLJMCGU-HAGHYFMRSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978639486 693764387 /nfs/dbraw/zinc/76/43/87/693764387.db2.gz OSBKKSOWLJMCGU-HAGHYFMRSA-N 2 1 343.515 2.101 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978639486 693764391 /nfs/dbraw/zinc/76/43/91/693764391.db2.gz OSBKKSOWLJMCGU-HAGHYFMRSA-N 2 1 343.515 2.101 20 30 EEEDMP CC[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)Oc1cccc(F)c1 ZINC000304850394 687023899 /nfs/dbraw/zinc/02/38/99/687023899.db2.gz QTCNSVZULITZRF-HZPDHXFCSA-N 2 1 336.455 2.372 20 30 EEEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988964729 691330959 /nfs/dbraw/zinc/33/09/59/691330959.db2.gz DVLNOZYQGUENGQ-ZIAGYGMSSA-N 2 1 346.500 2.183 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3n2)[C@H](C)C1 ZINC000943645550 1192435741 /nfs/dbraw/zinc/43/57/41/1192435741.db2.gz FGUNHIQOTYKYBB-AEFFLSMTSA-N 2 1 338.455 2.035 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001481749140 1182530343 /nfs/dbraw/zinc/53/03/43/1182530343.db2.gz OVLVHMGDXBNKMA-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001481749140 1182530348 /nfs/dbraw/zinc/53/03/48/1182530348.db2.gz OVLVHMGDXBNKMA-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001481749140 1182530352 /nfs/dbraw/zinc/53/03/52/1182530352.db2.gz OVLVHMGDXBNKMA-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001481749140 1182530358 /nfs/dbraw/zinc/53/03/58/1182530358.db2.gz OVLVHMGDXBNKMA-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001481749140 1182530365 /nfs/dbraw/zinc/53/03/65/1182530365.db2.gz OVLVHMGDXBNKMA-HNNXBMFYSA-N 2 1 348.516 2.384 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc(CN(C)C)on2)CC1 ZINC000948565635 1193243535 /nfs/dbraw/zinc/24/35/35/1193243535.db2.gz GHSVNJCNGOWVQZ-HNNXBMFYSA-N 2 1 334.464 2.239 20 30 EEEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948565635 1193243538 /nfs/dbraw/zinc/24/35/38/1193243538.db2.gz GHSVNJCNGOWVQZ-HNNXBMFYSA-N 2 1 334.464 2.239 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948565635 1193243541 /nfs/dbraw/zinc/24/35/41/1193243541.db2.gz GHSVNJCNGOWVQZ-HNNXBMFYSA-N 2 1 334.464 2.239 20 30 EEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001088370027 1186687569 /nfs/dbraw/zinc/68/75/69/1186687569.db2.gz YLGBHKWFQPWPKL-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001105486901 1188103514 /nfs/dbraw/zinc/10/35/14/1188103514.db2.gz DYXFQGPIGNHPSK-UHFFFAOYSA-N 2 1 337.508 2.033 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769983 1188488598 /nfs/dbraw/zinc/48/85/98/1188488598.db2.gz QWFPNDIIOICDNY-APWZRJJASA-N 2 1 327.472 2.007 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946809024 1194416919 /nfs/dbraw/zinc/41/69/19/1194416919.db2.gz WRYXDBBLXVBFKD-AQNXPRMDSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365494 1194479622 /nfs/dbraw/zinc/47/96/22/1194479622.db2.gz NRFMBEVPLBQHDC-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365494 1194479625 /nfs/dbraw/zinc/47/96/25/1194479625.db2.gz NRFMBEVPLBQHDC-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365494 1194479627 /nfs/dbraw/zinc/47/96/27/1194479627.db2.gz NRFMBEVPLBQHDC-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365494 1194479630 /nfs/dbraw/zinc/47/96/30/1194479630.db2.gz NRFMBEVPLBQHDC-RTBURBONSA-N 2 1 331.504 2.340 20 30 EEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033442657 1194574435 /nfs/dbraw/zinc/57/44/35/1194574435.db2.gz PYGIRTAVWDPLOW-QRVBRYPASA-N 2 1 327.472 2.051 20 30 EEEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832457 1195346299 /nfs/dbraw/zinc/34/62/99/1195346299.db2.gz FROFKJRBSDAKTB-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832457 1195346302 /nfs/dbraw/zinc/34/63/02/1195346302.db2.gz FROFKJRBSDAKTB-PKOBYXMFSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034367243 1196156790 /nfs/dbraw/zinc/15/67/90/1196156790.db2.gz FSQMJBKRFZKYLN-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367243 1196156791 /nfs/dbraw/zinc/15/67/91/1196156791.db2.gz FSQMJBKRFZKYLN-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367243 1196156792 /nfs/dbraw/zinc/15/67/92/1196156792.db2.gz FSQMJBKRFZKYLN-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034367243 1196156793 /nfs/dbraw/zinc/15/67/93/1196156793.db2.gz FSQMJBKRFZKYLN-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034367243 1196156794 /nfs/dbraw/zinc/15/67/94/1196156794.db2.gz FSQMJBKRFZKYLN-HKUYNNGSSA-N 2 1 331.504 2.387 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@H]1C ZINC001410854011 1198505519 /nfs/dbraw/zinc/50/55/19/1198505519.db2.gz LAYMPZCBFGJBOI-VQIMIIECSA-N 2 1 342.487 2.369 20 30 EEEDMP C#Cc1ccccc1CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000810300310 1199408554 /nfs/dbraw/zinc/40/85/54/1199408554.db2.gz QRUSTGWGHNZCPB-FQEVSTJZSA-N 2 1 341.499 2.085 20 30 EEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132348886 1199612418 /nfs/dbraw/zinc/61/24/18/1199612418.db2.gz UVXGLBNLZBDADV-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132348886 1199612422 /nfs/dbraw/zinc/61/24/22/1199612422.db2.gz UVXGLBNLZBDADV-MSOLQXFVSA-N 2 1 337.508 2.034 20 30 EEEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2CCCc1ccc(C#N)cc1 ZINC001274891880 1205201637 /nfs/dbraw/zinc/20/16/37/1205201637.db2.gz GEPVDJHDULVIFB-PMACEKPBSA-N 2 1 326.488 2.201 20 30 EEEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001275290254 1205299464 /nfs/dbraw/zinc/29/94/64/1205299464.db2.gz BZXRCEZFNPBFBH-FQEVSTJZSA-N 2 1 326.488 2.408 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533683 1205862005 /nfs/dbraw/zinc/86/20/05/1205862005.db2.gz JMSGNEAXXZDDHM-YDZRNGNQSA-N 2 1 329.488 2.138 20 30 EEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533683 1205862007 /nfs/dbraw/zinc/86/20/07/1205862007.db2.gz JMSGNEAXXZDDHM-YDZRNGNQSA-N 2 1 329.488 2.138 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267746 1208517956 /nfs/dbraw/zinc/51/79/56/1208517956.db2.gz HSOAPMHXMKPUSQ-BNDYYXHWSA-N 2 1 339.483 2.208 20 30 EEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267746 1208517958 /nfs/dbraw/zinc/51/79/58/1208517958.db2.gz HSOAPMHXMKPUSQ-BNDYYXHWSA-N 2 1 339.483 2.208 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947555019 1208618922 /nfs/dbraw/zinc/61/89/22/1208618922.db2.gz HMZYHXRZHLNGQK-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947555019 1208618924 /nfs/dbraw/zinc/61/89/24/1208618924.db2.gz HMZYHXRZHLNGQK-HZPDHXFCSA-N 2 1 330.476 2.307 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000948449881 1209145812 /nfs/dbraw/zinc/14/58/12/1209145812.db2.gz XZVLSGSLNMGOOL-NFXOHUDVSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000948449881 1209145814 /nfs/dbraw/zinc/14/58/14/1209145814.db2.gz XZVLSGSLNMGOOL-NFXOHUDVSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC000948449881 1209145817 /nfs/dbraw/zinc/14/58/17/1209145817.db2.gz XZVLSGSLNMGOOL-NFXOHUDVSA-N 2 1 337.895 2.149 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC000948449881 1209145818 /nfs/dbraw/zinc/14/58/18/1209145818.db2.gz XZVLSGSLNMGOOL-NFXOHUDVSA-N 2 1 337.895 2.149 20 30 EEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000948565334 1209225765 /nfs/dbraw/zinc/22/57/65/1209225765.db2.gz CJPOIBQTEYRFTR-HOTGVXAUSA-N 2 1 330.476 2.322 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000948565334 1209225768 /nfs/dbraw/zinc/22/57/68/1209225768.db2.gz CJPOIBQTEYRFTR-HOTGVXAUSA-N 2 1 330.476 2.322 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001015608550 1225459240 /nfs/dbraw/zinc/45/92/40/1225459240.db2.gz QPZGCLVDYJQOKY-SOUVJXGZSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001015608550 1225459247 /nfs/dbraw/zinc/45/92/47/1225459247.db2.gz QPZGCLVDYJQOKY-SOUVJXGZSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001015608550 1225459255 /nfs/dbraw/zinc/45/92/55/1225459255.db2.gz QPZGCLVDYJQOKY-SOUVJXGZSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001015608550 1225459259 /nfs/dbraw/zinc/45/92/59/1225459259.db2.gz QPZGCLVDYJQOKY-SOUVJXGZSA-N 2 1 346.500 2.041 20 30 EEEDMP C[C@@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)C[NH+]1CCOCC1 ZINC000304739254 1216102619 /nfs/dbraw/zinc/10/26/19/1216102619.db2.gz BEHZEMDZXDUAII-HNNXBMFYSA-N 2 1 330.476 2.260 20 30 EEEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000304999398 1216127046 /nfs/dbraw/zinc/12/70/46/1216127046.db2.gz GSPKMDPOYLSOKW-AWEZNQCLSA-N 2 1 334.464 2.408 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960290456 1216475444 /nfs/dbraw/zinc/47/54/44/1216475444.db2.gz PTBBAZBLLYUQOD-HCXYKTFWSA-N 2 1 331.504 2.406 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000960290456 1216475446 /nfs/dbraw/zinc/47/54/46/1216475446.db2.gz PTBBAZBLLYUQOD-HCXYKTFWSA-N 2 1 331.504 2.406 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000960290456 1216475448 /nfs/dbraw/zinc/47/54/48/1216475448.db2.gz PTBBAZBLLYUQOD-HCXYKTFWSA-N 2 1 331.504 2.406 20 30 EEEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000961993068 1217440687 /nfs/dbraw/zinc/44/06/87/1217440687.db2.gz PKXSBNJUZOPDRJ-CTWPCTMYSA-N 2 1 340.471 2.027 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364960 1217560752 /nfs/dbraw/zinc/56/07/52/1217560752.db2.gz DRMMHQFAPWFQKF-MOPGFXCFSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000963947306 1218145556 /nfs/dbraw/zinc/14/55/56/1218145556.db2.gz QXEUACFDXYSKSI-JWALYWQKSA-N 2 1 329.488 2.044 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401784 1220483072 /nfs/dbraw/zinc/48/30/72/1220483072.db2.gz HAPVSICKMJIZNB-NVXWUHKLSA-N 2 1 330.476 2.165 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401784 1220483075 /nfs/dbraw/zinc/48/30/75/1220483075.db2.gz HAPVSICKMJIZNB-NVXWUHKLSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968328299 1221212675 /nfs/dbraw/zinc/21/26/75/1221212675.db2.gz ZYRCDEACGMRVNP-CRAIPNDOSA-N 2 1 346.475 2.287 20 30 EEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000968328299 1221212677 /nfs/dbraw/zinc/21/26/77/1221212677.db2.gz ZYRCDEACGMRVNP-CRAIPNDOSA-N 2 1 346.475 2.287 20 30 EEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887992 1221647369 /nfs/dbraw/zinc/64/73/69/1221647369.db2.gz OWSXCVMQHSCNQI-IRXDYDNUSA-N 2 1 328.460 2.145 20 30 EEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887992 1221647371 /nfs/dbraw/zinc/64/73/71/1221647371.db2.gz OWSXCVMQHSCNQI-IRXDYDNUSA-N 2 1 328.460 2.145 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000968954887 1221699098 /nfs/dbraw/zinc/69/90/98/1221699098.db2.gz XGBLKEZUAUVAHL-GMNCBBECSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000968954887 1221699099 /nfs/dbraw/zinc/69/90/99/1221699099.db2.gz XGBLKEZUAUVAHL-GMNCBBECSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022250 1221747618 /nfs/dbraw/zinc/74/76/18/1221747618.db2.gz AFCKMBRWNFJMMC-QZTJIDSGSA-N 2 1 342.487 2.138 20 30 EEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000969022250 1221747622 /nfs/dbraw/zinc/74/76/22/1221747622.db2.gz AFCKMBRWNFJMMC-QZTJIDSGSA-N 2 1 342.487 2.138 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(Cc3ccc(C#N)s3)C2)C1 ZINC001008535567 1222913715 /nfs/dbraw/zinc/91/37/15/1222913715.db2.gz TVINSCRUDOVTGO-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008991324 1223105771 /nfs/dbraw/zinc/10/57/71/1223105771.db2.gz CMDSUYXTUGNOMC-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008991324 1223105773 /nfs/dbraw/zinc/10/57/73/1223105773.db2.gz CMDSUYXTUGNOMC-MRXNPFEDSA-N 2 1 325.416 2.038 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)C)CC2 ZINC001016670296 1226757394 /nfs/dbraw/zinc/75/73/94/1226757394.db2.gz PJXXPBPRLLNZRN-ZWKOTPCHSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)C)CC2 ZINC001016670296 1226757400 /nfs/dbraw/zinc/75/74/00/1226757400.db2.gz PJXXPBPRLLNZRN-ZWKOTPCHSA-N 2 1 331.504 2.101 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001020250707 1229583471 /nfs/dbraw/zinc/58/34/71/1229583471.db2.gz MEKUUKGWULJYMC-UFYCRDLUSA-N 2 1 339.483 2.083 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001020250707 1229583474 /nfs/dbraw/zinc/58/34/74/1229583474.db2.gz MEKUUKGWULJYMC-UFYCRDLUSA-N 2 1 339.483 2.083 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CCCC)C2)CC1 ZINC001039132644 1230342989 /nfs/dbraw/zinc/34/29/89/1230342989.db2.gz BKVFSJYRTXPHMV-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CCCC)C2)CC1 ZINC001039132644 1230342991 /nfs/dbraw/zinc/34/29/91/1230342991.db2.gz BKVFSJYRTXPHMV-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CCCC)C2)CC1 ZINC001039132644 1230342996 /nfs/dbraw/zinc/34/29/96/1230342996.db2.gz BKVFSJYRTXPHMV-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CCCC)C2)CC1 ZINC001039132644 1230342999 /nfs/dbraw/zinc/34/29/99/1230342999.db2.gz BKVFSJYRTXPHMV-PMACEKPBSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001039142233 1230359496 /nfs/dbraw/zinc/35/94/96/1230359496.db2.gz IATZWQDNCHLSKE-LJQANCHMSA-N 2 1 343.515 2.056 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205125 1230431989 /nfs/dbraw/zinc/43/19/89/1230431989.db2.gz KUINWGLNBOPNKE-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205125 1230431992 /nfs/dbraw/zinc/43/19/92/1230431992.db2.gz KUINWGLNBOPNKE-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205125 1230431994 /nfs/dbraw/zinc/43/19/94/1230431994.db2.gz KUINWGLNBOPNKE-VQTJNVASSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CC[N@H+](CC=C)C2)CC1 ZINC001039250436 1230486112 /nfs/dbraw/zinc/48/61/12/1230486112.db2.gz KKXCJLQDQGFYCF-WOJBJXKFSA-N 2 1 343.515 2.221 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039397642 1230580436 /nfs/dbraw/zinc/58/04/36/1230580436.db2.gz SNIMQEXESBHHOR-AEFFLSMTSA-N 2 1 336.439 2.345 20 30 EEEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240492 1231125431 /nfs/dbraw/zinc/12/54/31/1231125431.db2.gz HDFOIFISPBPODR-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240492 1231125435 /nfs/dbraw/zinc/12/54/35/1231125435.db2.gz HDFOIFISPBPODR-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240492 1231125437 /nfs/dbraw/zinc/12/54/37/1231125437.db2.gz HDFOIFISPBPODR-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947977 1231408191 /nfs/dbraw/zinc/40/81/91/1231408191.db2.gz LFRGAJRXQFSYBW-HDICACEKSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041597961 1231616732 /nfs/dbraw/zinc/61/67/32/1231616732.db2.gz IJJNATLOBDSVCT-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041597961 1231616733 /nfs/dbraw/zinc/61/67/33/1231616733.db2.gz IJJNATLOBDSVCT-XLIONFOSSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041597960 1231616829 /nfs/dbraw/zinc/61/68/29/1231616829.db2.gz IJJNATLOBDSVCT-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001041597960 1231616831 /nfs/dbraw/zinc/61/68/31/1231616831.db2.gz IJJNATLOBDSVCT-PXNSSMCTSA-N 2 1 342.487 2.254 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042205585 1231955788 /nfs/dbraw/zinc/95/57/88/1231955788.db2.gz XXARPRRXUZEXDV-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042205585 1231955791 /nfs/dbraw/zinc/95/57/91/1231955791.db2.gz XXARPRRXUZEXDV-NVXWUHKLSA-N 2 1 331.460 2.454 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC001044741435 1233226815 /nfs/dbraw/zinc/22/68/15/1233226815.db2.gz AJNIYIMZPVASNG-JKSUJKDBSA-N 2 1 346.475 2.429 20 30 EEEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001045668025 1233895849 /nfs/dbraw/zinc/89/58/49/1233895849.db2.gz YAMUCYXALLZXGW-ZWKOTPCHSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045957832 1234230441 /nfs/dbraw/zinc/23/04/41/1234230441.db2.gz GKOZYODKMDYZNL-HXUWFJFHSA-N 2 1 331.504 2.199 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001046951491 1235347995 /nfs/dbraw/zinc/34/79/95/1235347995.db2.gz MMZMSRANBWCQMU-BFHYXJOUSA-N 2 1 338.402 2.163 20 30 EEEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001046951491 1235348000 /nfs/dbraw/zinc/34/80/00/1235348000.db2.gz MMZMSRANBWCQMU-BFHYXJOUSA-N 2 1 338.402 2.163 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001046951491 1235348005 /nfs/dbraw/zinc/34/80/05/1235348005.db2.gz MMZMSRANBWCQMU-BFHYXJOUSA-N 2 1 338.402 2.163 20 30 EEEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046955009 1235352989 /nfs/dbraw/zinc/35/29/89/1235352989.db2.gz WPAOWBGTTGPUJB-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046955009 1235352993 /nfs/dbraw/zinc/35/29/93/1235352993.db2.gz WPAOWBGTTGPUJB-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046955009 1235352999 /nfs/dbraw/zinc/35/29/99/1235352999.db2.gz WPAOWBGTTGPUJB-CABCVRRESA-N 2 1 329.435 2.120 20 30 EEEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046967783 1235368888 /nfs/dbraw/zinc/36/88/88/1235368888.db2.gz XPIFCCGHQQAOTR-HRCADAONSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046967783 1235368892 /nfs/dbraw/zinc/36/88/92/1235368892.db2.gz XPIFCCGHQQAOTR-HRCADAONSA-N 2 1 343.462 2.366 20 30 EEEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046967783 1235368896 /nfs/dbraw/zinc/36/88/96/1235368896.db2.gz XPIFCCGHQQAOTR-HRCADAONSA-N 2 1 343.462 2.366 20 30 EEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001048545520 1237930426 /nfs/dbraw/zinc/93/04/26/1237930426.db2.gz ATDZMEVGQOMURH-VBUUOAMHSA-N 2 1 336.439 2.330 20 30 EEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860078 1239060007 /nfs/dbraw/zinc/06/00/07/1239060007.db2.gz FXZABEGTPAJCNX-QRVBRYPASA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860078 1239060019 /nfs/dbraw/zinc/06/00/19/1239060019.db2.gz FXZABEGTPAJCNX-QRVBRYPASA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860078 1239060027 /nfs/dbraw/zinc/06/00/27/1239060027.db2.gz FXZABEGTPAJCNX-QRVBRYPASA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001000208582 1240061886 /nfs/dbraw/zinc/06/18/86/1240061886.db2.gz MKPZMQQXDFNARY-CRAIPNDOSA-N 2 1 325.472 2.356 20 30 EEEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC001000249225 1240099841 /nfs/dbraw/zinc/09/98/41/1240099841.db2.gz QUTINJLXTQHHQN-SFHVURJKSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC001000249225 1240099848 /nfs/dbraw/zinc/09/98/48/1240099848.db2.gz QUTINJLXTQHHQN-SFHVURJKSA-N 2 1 349.519 2.033 20 30 EEEDMP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761148 1242116865 /nfs/dbraw/zinc/11/68/65/1242116865.db2.gz FXZFBZWVCKJYKX-MSOLQXFVSA-N 2 1 342.487 2.485 20 30 EEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049761148 1242116872 /nfs/dbraw/zinc/11/68/72/1242116872.db2.gz FXZFBZWVCKJYKX-MSOLQXFVSA-N 2 1 342.487 2.485 20 30 EEEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001001353950 1242118850 /nfs/dbraw/zinc/11/88/50/1242118850.db2.gz NYRXGNUFLFEJFL-LJQANCHMSA-N 2 1 331.504 2.413 20 30 EEEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001001353950 1242118854 /nfs/dbraw/zinc/11/88/54/1242118854.db2.gz NYRXGNUFLFEJFL-LJQANCHMSA-N 2 1 331.504 2.413 20 30 EEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001001353950 1242118859 /nfs/dbraw/zinc/11/88/59/1242118859.db2.gz NYRXGNUFLFEJFL-LJQANCHMSA-N 2 1 331.504 2.413 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049767757 1242135298 /nfs/dbraw/zinc/13/52/98/1242135298.db2.gz RAQDQLIZOVFBBN-GUDVDZBRSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049767757 1242135315 /nfs/dbraw/zinc/13/53/15/1242135315.db2.gz RAQDQLIZOVFBBN-GUDVDZBRSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049767757 1242135328 /nfs/dbraw/zinc/13/53/28/1242135328.db2.gz RAQDQLIZOVFBBN-GUDVDZBRSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CCCCC2)CC1 ZINC001001492092 1242377174 /nfs/dbraw/zinc/37/71/74/1242377174.db2.gz OPTZAYFKYYIDLW-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CCCCC2)CC1 ZINC001001492092 1242377189 /nfs/dbraw/zinc/37/71/89/1242377189.db2.gz OPTZAYFKYYIDLW-FQEVSTJZSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913372 1242676684 /nfs/dbraw/zinc/67/66/84/1242676684.db2.gz WJUCFTLVQLQSTG-PMACEKPBSA-N 2 1 339.483 2.450 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141909 1242968590 /nfs/dbraw/zinc/96/85/90/1242968590.db2.gz YIEAKRRXMHRCCP-FCEWJHQRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141909 1242968596 /nfs/dbraw/zinc/96/85/96/1242968596.db2.gz YIEAKRRXMHRCCP-FCEWJHQRSA-N 2 1 337.483 2.308 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141909 1242968600 /nfs/dbraw/zinc/96/86/00/1242968600.db2.gz YIEAKRRXMHRCCP-FCEWJHQRSA-N 2 1 337.483 2.308 20 30 EEEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001050630466 1243991775 /nfs/dbraw/zinc/99/17/75/1243991775.db2.gz QYCIVNDCTMAKTQ-GOSISDBHSA-N 2 1 331.504 2.056 20 30 EEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097737635 1244549766 /nfs/dbraw/zinc/54/97/66/1244549766.db2.gz RFLAQVSDCGQGMZ-IDCNUPLLSA-N 2 1 328.460 2.052 20 30 EEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097737635 1244549774 /nfs/dbraw/zinc/54/97/74/1244549774.db2.gz RFLAQVSDCGQGMZ-IDCNUPLLSA-N 2 1 328.460 2.052 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)CCC=C)CC1 ZINC001111455098 1244598762 /nfs/dbraw/zinc/59/87/62/1244598762.db2.gz MEUZXUMRVLYLSS-NBYUQASBSA-N 2 1 343.515 2.408 20 30 EEEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933209 1245504991 /nfs/dbraw/zinc/50/49/91/1245504991.db2.gz XVLITHAEKZAJOC-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933209 1245505000 /nfs/dbraw/zinc/50/50/00/1245505000.db2.gz XVLITHAEKZAJOC-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933209 1245505007 /nfs/dbraw/zinc/50/50/07/1245505007.db2.gz XVLITHAEKZAJOC-GJZGRUSLSA-N 2 1 346.500 2.042 20 30 EEEDMP C#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053043774 1245755846 /nfs/dbraw/zinc/75/58/46/1245755846.db2.gz ZGSBOUCCVHXMSD-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053043774 1245755852 /nfs/dbraw/zinc/75/58/52/1245755852.db2.gz ZGSBOUCCVHXMSD-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053043774 1245755858 /nfs/dbraw/zinc/75/58/58/1245755858.db2.gz ZGSBOUCCVHXMSD-MOPGFXCFSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053101390 1245909479 /nfs/dbraw/zinc/90/94/79/1245909479.db2.gz NJZSZJHKDDQQNZ-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105205 1245920417 /nfs/dbraw/zinc/92/04/17/1245920417.db2.gz MSHVPPAJTYHDJG-RBUKOAKNSA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC=C(C)C)C2)C1 ZINC001054147333 1247524484 /nfs/dbraw/zinc/52/44/84/1247524484.db2.gz OLYUSXJVRUXPEM-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001054147333 1247524495 /nfs/dbraw/zinc/52/44/95/1247524495.db2.gz OLYUSXJVRUXPEM-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC=C(C)C)C2)C1 ZINC001054147333 1247524503 /nfs/dbraw/zinc/52/45/03/1247524503.db2.gz OLYUSXJVRUXPEM-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC=C(C)C)C2)C1 ZINC001054147333 1247524509 /nfs/dbraw/zinc/52/45/09/1247524509.db2.gz OLYUSXJVRUXPEM-FPOVZHCZSA-N 2 1 343.515 2.365 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158051 1247559258 /nfs/dbraw/zinc/55/92/58/1247559258.db2.gz DFUBSZOTTVUIHN-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054158051 1247559261 /nfs/dbraw/zinc/55/92/61/1247559261.db2.gz DFUBSZOTTVUIHN-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054158051 1247559269 /nfs/dbraw/zinc/55/92/69/1247559269.db2.gz DFUBSZOTTVUIHN-FPOVZHCZSA-N 2 1 345.531 2.445 20 30 EEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663401 1247814333 /nfs/dbraw/zinc/81/43/33/1247814333.db2.gz RHTICNGTKRCIOJ-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663401 1247814343 /nfs/dbraw/zinc/81/43/43/1247814343.db2.gz RHTICNGTKRCIOJ-IAGOWNOFSA-N 2 1 330.476 2.301 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001100898664 1259409860 /nfs/dbraw/zinc/40/98/60/1259409860.db2.gz UROZJWUGBXUOIE-UHFFFAOYSA-N 2 1 342.487 2.275 20 30 EEEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001101009038 1259555510 /nfs/dbraw/zinc/55/55/10/1259555510.db2.gz FDHIFHKANKOMRZ-DAWZGUTISA-N 2 1 339.524 2.162 20 30 EEEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001101009038 1259555515 /nfs/dbraw/zinc/55/55/15/1259555515.db2.gz FDHIFHKANKOMRZ-DAWZGUTISA-N 2 1 339.524 2.162 20 30 EEEDMP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773979 1278019245 /nfs/dbraw/zinc/01/92/45/1278019245.db2.gz SNZZBWJNYXVSFY-QWHCGFSZSA-N 2 1 348.329 2.498 20 30 EEEDMP C[NH+](C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccc(C#N)c1 ZINC001273712587 1283909628 /nfs/dbraw/zinc/90/96/28/1283909628.db2.gz XPZWQAULNGHPMR-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP C[NH+](C)CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccc(C#N)c1 ZINC001273712587 1283909631 /nfs/dbraw/zinc/90/96/31/1283909631.db2.gz XPZWQAULNGHPMR-RTBURBONSA-N 2 1 340.471 2.075 20 30 EEEDMP CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392261 1284955690 /nfs/dbraw/zinc/95/56/90/1284955690.db2.gz KJSGKCLGMBFXSY-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152392261 1284955694 /nfs/dbraw/zinc/95/56/94/1284955694.db2.gz KJSGKCLGMBFXSY-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP CC[NH+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152392261 1284955697 /nfs/dbraw/zinc/95/56/97/1284955697.db2.gz KJSGKCLGMBFXSY-KDOFPFPSSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001202502480 1294734299 /nfs/dbraw/zinc/73/42/99/1294734299.db2.gz CYCOJDHZKXISSZ-INIZCTEOSA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446440 1296034004 /nfs/dbraw/zinc/03/40/04/1296034004.db2.gz KYXNSOPHVWTUTO-GVDBMIGSSA-N 2 1 339.524 2.134 20 30 EEEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446440 1296033984 /nfs/dbraw/zinc/03/39/84/1296033984.db2.gz KYXNSOPHVWTUTO-GVDBMIGSSA-N 2 1 339.524 2.134 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CCCCC1)C2 ZINC001072822637 1296184339 /nfs/dbraw/zinc/18/43/39/1296184339.db2.gz QUMNGWCKIWSVHU-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CCCCC1)C2 ZINC001072822637 1296184347 /nfs/dbraw/zinc/18/43/47/1296184347.db2.gz QUMNGWCKIWSVHU-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC1CCCCC1)C2 ZINC001072822637 1296184353 /nfs/dbraw/zinc/18/43/53/1296184353.db2.gz QUMNGWCKIWSVHU-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2 ZINC001072822637 1296184360 /nfs/dbraw/zinc/18/43/60/1296184360.db2.gz QUMNGWCKIWSVHU-IBGZPJMESA-N 2 1 343.515 2.199 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544305 1296936110 /nfs/dbraw/zinc/93/61/10/1296936110.db2.gz OKYBMUPHOMYOQV-UWWQBHOKSA-N 2 1 330.476 2.157 20 30 EEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001073454642 1297079929 /nfs/dbraw/zinc/07/99/29/1297079929.db2.gz PSIYSSKPVOGGGH-UHFFFAOYSA-N 2 1 327.472 2.472 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)C1 ZINC001221913068 1299187031 /nfs/dbraw/zinc/18/70/31/1299187031.db2.gz CTGDHQBTRHWYPS-MSOLQXFVSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)C1 ZINC001221913068 1299187038 /nfs/dbraw/zinc/18/70/38/1299187038.db2.gz CTGDHQBTRHWYPS-MSOLQXFVSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](CC)C2)C1 ZINC001221913068 1299187047 /nfs/dbraw/zinc/18/70/47/1299187047.db2.gz CTGDHQBTRHWYPS-MSOLQXFVSA-N 2 1 348.535 2.284 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](CC)C2)C1 ZINC001221913068 1299187058 /nfs/dbraw/zinc/18/70/58/1299187058.db2.gz CTGDHQBTRHWYPS-MSOLQXFVSA-N 2 1 348.535 2.284 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CC)C1 ZINC001099542073 1299201574 /nfs/dbraw/zinc/20/15/74/1299201574.db2.gz AQQOLRZECZZPAJ-QAETUUGQSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099542073 1299201594 /nfs/dbraw/zinc/20/15/94/1299201594.db2.gz AQQOLRZECZZPAJ-QAETUUGQSA-N 2 1 339.911 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099542073 1299201611 /nfs/dbraw/zinc/20/16/11/1299201611.db2.gz AQQOLRZECZZPAJ-QAETUUGQSA-N 2 1 339.911 2.250 20 30 EEEDMP C#CCCC[N@H+]1CCc2cc(C(=O)N(C)CC[NH+](CC)CC)[nH]c2C1 ZINC001276979329 1300639255 /nfs/dbraw/zinc/63/92/55/1300639255.db2.gz FRTPHEBJBVIBBA-UHFFFAOYSA-N 2 1 344.503 2.200 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001225087892 1300885493 /nfs/dbraw/zinc/88/54/93/1300885493.db2.gz OPXZUCLEXHGWPZ-UHFFFAOYSA-N 2 1 348.516 2.290 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCC(C)C)C[C@H]2C)CC1 ZINC001102596828 1301271485 /nfs/dbraw/zinc/27/14/85/1301271485.db2.gz ZWUTXRAJEVCYPK-UYAOXDASSA-N 2 1 347.547 2.452 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987674 1302029675 /nfs/dbraw/zinc/02/96/75/1302029675.db2.gz MUTQLEUOGIXKHI-GUDVDZBRSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001102987674 1302029677 /nfs/dbraw/zinc/02/96/77/1302029677.db2.gz MUTQLEUOGIXKHI-GUDVDZBRSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001102987674 1302029682 /nfs/dbraw/zinc/02/96/82/1302029682.db2.gz MUTQLEUOGIXKHI-GUDVDZBRSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001103049747 1302129632 /nfs/dbraw/zinc/12/96/32/1302129632.db2.gz CKNHYGZWOOTDDN-ZACQAIPSSA-N 2 1 327.488 2.317 20 30 EEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001228215770 1302160723 /nfs/dbraw/zinc/16/07/23/1302160723.db2.gz KAXGNUVDBDOKAO-CGTJXYLNSA-N 2 1 330.476 2.347 20 30 EEEDMP C=CCOCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001229469496 1302798558 /nfs/dbraw/zinc/79/85/58/1302798558.db2.gz YJWMANCYJPUWSN-UHFFFAOYSA-N 2 1 348.491 2.180 20 30 EEEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740841 1303829979 /nfs/dbraw/zinc/82/99/79/1303829979.db2.gz QLQAWBDUIFBUNB-NSHGMRRFSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740841 1303829990 /nfs/dbraw/zinc/82/99/90/1303829990.db2.gz QLQAWBDUIFBUNB-NSHGMRRFSA-N 2 1 349.519 2.033 20 30 EEEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740841 1303830002 /nfs/dbraw/zinc/83/00/02/1303830002.db2.gz QLQAWBDUIFBUNB-NSHGMRRFSA-N 2 1 349.519 2.033 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000782755445 1304112846 /nfs/dbraw/zinc/11/28/46/1304112846.db2.gz YOCZGUUCOGYDSX-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000782755445 1304112850 /nfs/dbraw/zinc/11/28/50/1304112850.db2.gz YOCZGUUCOGYDSX-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194091 1304315620 /nfs/dbraw/zinc/31/56/20/1304315620.db2.gz LQHJUIDBEJSSLM-RRFJBIMHSA-N 2 1 347.425 2.273 20 30 EEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C(F)(F)F ZINC001112213126 1304340020 /nfs/dbraw/zinc/34/00/20/1304340020.db2.gz GAOYZWAMIVLNBR-KFWWJZLASA-N 2 1 347.425 2.416 20 30 EEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CCCCC1 ZINC001115691467 1305622088 /nfs/dbraw/zinc/62/20/88/1305622088.db2.gz YZYNLUDRWYXHGL-QGZVFWFLSA-N 2 1 337.508 2.080 20 30 EEEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)Cn1cc[nH+]c1C ZINC001162996856 1321008211 /nfs/dbraw/zinc/00/82/11/1321008211.db2.gz DCARXIDMSDRLAU-UHFFFAOYSA-N 2 1 340.471 2.429 20 30 EEEDMP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252132285 1317558838 /nfs/dbraw/zinc/55/88/38/1317558838.db2.gz DMLGFLQPRWUFSH-QZTJIDSGSA-N 2 1 341.540 2.240 20 30 EEEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252132285 1317558844 /nfs/dbraw/zinc/55/88/44/1317558844.db2.gz DMLGFLQPRWUFSH-QZTJIDSGSA-N 2 1 341.540 2.240 20 30 EEEDMP C=C[C@](C)(O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001252553492 1317635321 /nfs/dbraw/zinc/63/53/21/1317635321.db2.gz YFERKKFCDKKLKV-HKBOAZHASA-N 2 1 348.531 2.384 20 30 EEEDMP C=C[C@](C)(O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001252553492 1317635324 /nfs/dbraw/zinc/63/53/24/1317635324.db2.gz YFERKKFCDKKLKV-HKBOAZHASA-N 2 1 348.531 2.384 20 30 EEEDMP C=C[C@](C)(O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001252553492 1317635325 /nfs/dbraw/zinc/63/53/25/1317635325.db2.gz YFERKKFCDKKLKV-HKBOAZHASA-N 2 1 348.531 2.384 20 30 EEEDMP [NH2+]=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc2cc(O)ccc2c1 ZINC001160026476 1320050860 /nfs/dbraw/zinc/05/08/60/1320050860.db2.gz OGLWETUSNIMQME-UHFFFAOYSA-N 2 1 347.422 2.387 20 30 EEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155472 1320085650 /nfs/dbraw/zinc/08/56/50/1320085650.db2.gz HFSHZTXMNQKGEF-LJQANCHMSA-N 2 1 331.504 2.433 20 30 EEEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160866371 1320295870 /nfs/dbraw/zinc/29/58/70/1320295870.db2.gz BFAHPEKRAFRDGR-UONOGXRCSA-N 2 1 344.297 2.008 20 30 EEEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[N@H+](C)CC ZINC001162851428 1320974184 /nfs/dbraw/zinc/97/41/84/1320974184.db2.gz UVWVCSFPTXKPKJ-UHFFFAOYSA-N 2 1 329.488 2.011 20 30 EEEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)Cn1c[nH+]cc1C ZINC001162859767 1320977179 /nfs/dbraw/zinc/97/71/79/1320977179.db2.gz IYVMBSNTSVEUBZ-UHFFFAOYSA-N 2 1 340.471 2.429 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]CC#Cc1ccccc1)CC(C)(C)C ZINC001166744148 1321779419 /nfs/dbraw/zinc/77/94/19/1321779419.db2.gz JZTRDCULMSDVOF-UHFFFAOYSA-N 2 1 329.488 2.112 20 30 EEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001166843743 1321798880 /nfs/dbraw/zinc/79/88/80/1321798880.db2.gz WHXBOGBQFKBZIV-GJZGRUSLSA-N 2 1 327.900 2.345 20 30 EEEDMP CC#CC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001205339689 1322353125 /nfs/dbraw/zinc/35/31/25/1322353125.db2.gz JXDBSBCYWKAWHI-MRXNPFEDSA-N 2 1 330.476 2.248 20 30 EEEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001265459629 1323167118 /nfs/dbraw/zinc/16/71/18/1323167118.db2.gz GUKCGESKYASFLW-SFHVURJKSA-N 2 1 347.890 2.222 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007774 1324261259 /nfs/dbraw/zinc/26/12/59/1324261259.db2.gz KTGLUFFKKOZBPZ-NVXWUHKLSA-N 2 1 330.476 2.165 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007774 1324261265 /nfs/dbraw/zinc/26/12/65/1324261265.db2.gz KTGLUFFKKOZBPZ-NVXWUHKLSA-N 2 1 330.476 2.165 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001208340804 1324436526 /nfs/dbraw/zinc/43/65/26/1324436526.db2.gz QJIZCJYKEVGFMR-LJQANCHMSA-N 2 1 339.483 2.103 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001210812365 1325447145 /nfs/dbraw/zinc/44/71/45/1325447145.db2.gz YRCVLSDKVSZGPZ-QGZVFWFLSA-N 2 1 346.450 2.120 20 30 EEEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001327508136 1334303992 /nfs/dbraw/zinc/30/39/92/1334303992.db2.gz PDTXRXDWIOQKHX-RTBURBONSA-N 2 1 329.488 2.446 20 30 EEEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001327508136 1334304001 /nfs/dbraw/zinc/30/40/01/1334304001.db2.gz PDTXRXDWIOQKHX-RTBURBONSA-N 2 1 329.488 2.446 20 30 EEEDMP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001578776742 1344303061 /nfs/dbraw/zinc/30/30/61/1344303061.db2.gz FGFHPIOSHNBRSQ-RTBURBONSA-N 2 1 341.455 2.484 20 30 EEEDMP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001578776742 1344303068 /nfs/dbraw/zinc/30/30/68/1344303068.db2.gz FGFHPIOSHNBRSQ-RTBURBONSA-N 2 1 341.455 2.484 20 30 EEEDMP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001343721259 1372960469 /nfs/dbraw/zinc/96/04/69/1372960469.db2.gz FJBQUSNZVFVLML-GBESFXJTSA-N 2 1 327.472 2.403 20 30 EEEDMP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001367695798 1374236417 /nfs/dbraw/zinc/23/64/17/1374236417.db2.gz STMSVOLANWGMMG-OAHLLOKOSA-N 2 1 330.476 2.130 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001370960173 1375166943 /nfs/dbraw/zinc/16/69/43/1375166943.db2.gz IIHXYWLFTKFGGJ-LJQANCHMSA-N 2 1 342.487 2.371 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001374384706 1376755624 /nfs/dbraw/zinc/75/56/24/1376755624.db2.gz NNMGMKAGCNAYJC-YOEHRIQHSA-N 2 1 348.516 2.288 20 30 EEEDMP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001390639873 1388713427 /nfs/dbraw/zinc/71/34/27/1388713427.db2.gz WNSIIBGWECAKAC-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccccc2C#N)C1 ZINC001390639873 1388713431 /nfs/dbraw/zinc/71/34/31/1388713431.db2.gz WNSIIBGWECAKAC-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC001390639873 1388713434 /nfs/dbraw/zinc/71/34/34/1388713434.db2.gz WNSIIBGWECAKAC-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC001390639873 1388713438 /nfs/dbraw/zinc/71/34/38/1388713438.db2.gz WNSIIBGWECAKAC-LJQANCHMSA-N 2 1 342.487 2.323 20 30 EEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391895164 1389692690 /nfs/dbraw/zinc/69/26/90/1389692690.db2.gz QHCRPONMODYBAN-QFBILLFUSA-N 2 1 342.487 2.275 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001394717055 1390744438 /nfs/dbraw/zinc/74/44/38/1390744438.db2.gz RXFLSVDTQGZULO-KBPBESRZSA-N 2 1 346.313 2.111 20 30 EEEDMP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccc(C#N)s1 ZINC001399719856 1395438549 /nfs/dbraw/zinc/43/85/49/1395438549.db2.gz WEJLTRROQFRBKL-KRWDZBQOSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccc(C#N)s1 ZINC001399719856 1395438555 /nfs/dbraw/zinc/43/85/55/1395438555.db2.gz WEJLTRROQFRBKL-KRWDZBQOSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccc(C#N)s1 ZINC001399719856 1395438563 /nfs/dbraw/zinc/43/85/63/1395438563.db2.gz WEJLTRROQFRBKL-KRWDZBQOSA-N 2 1 348.516 2.431 20 30 EEEDMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccc(C#N)s1 ZINC001399719856 1395438572 /nfs/dbraw/zinc/43/85/72/1395438572.db2.gz WEJLTRROQFRBKL-KRWDZBQOSA-N 2 1 348.516 2.431 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001402066423 1397743721 /nfs/dbraw/zinc/74/37/21/1397743721.db2.gz RGDRTXWHHBTGFL-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001755026428 1407048953 /nfs/dbraw/zinc/04/89/53/1407048953.db2.gz PHZFXEAWUDDNCA-GOSISDBHSA-N 2 1 333.520 2.493 20 30 EEEDMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753232635 1405828407 /nfs/dbraw/zinc/82/84/07/1405828407.db2.gz DPQBMUFMUHAUIU-UHFFFAOYSA-N 2 1 330.476 2.084 20 30 EEEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001755852303 1407905452 /nfs/dbraw/zinc/90/54/52/1407905452.db2.gz RJNHQFFOFUMUNY-ZIAGYGMSSA-N 2 1 335.414 2.273 20 30 EEEDMP CC#CC[N@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001755888318 1407950935 /nfs/dbraw/zinc/95/09/35/1407950935.db2.gz UTUACIXEQUOQQZ-MRXNPFEDSA-N 2 1 328.460 2.168 20 30 EEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001755888318 1407950940 /nfs/dbraw/zinc/95/09/40/1407950940.db2.gz UTUACIXEQUOQQZ-MRXNPFEDSA-N 2 1 328.460 2.168 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](F)CC)[C@@H]2CC)CC1 ZINC001087840377 782349821 /nfs/dbraw/zinc/34/98/21/782349821.db2.gz VMEUNFBGZUMDNB-FGTMMUONSA-N 2 1 337.483 2.049 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001111753982 757452491 /nfs/dbraw/zinc/45/24/91/757452491.db2.gz GPEBRQDFZGVSQB-GJYPPUQNSA-N 2 1 328.460 2.001 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001111753982 757452507 /nfs/dbraw/zinc/45/25/07/757452507.db2.gz GPEBRQDFZGVSQB-GJYPPUQNSA-N 2 1 328.460 2.001 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC001083215034 759539519 /nfs/dbraw/zinc/53/95/19/759539519.db2.gz FCTHVPKFOPTTOJ-CEXWTWQISA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCS(=O)(=O)CC[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000783532303 782575610 /nfs/dbraw/zinc/57/56/10/782575610.db2.gz OYAHJWJECRSLJL-WBVHZDCISA-N 2 1 328.522 2.220 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC(C)(C)C1 ZINC001089423666 769000247 /nfs/dbraw/zinc/00/02/47/769000247.db2.gz MPXXXKNTPDIFCX-MRXNPFEDSA-N 2 1 338.455 2.496 20 30 EEEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488897 769768732 /nfs/dbraw/zinc/76/87/32/769768732.db2.gz ZULNAEOIADGCSM-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488897 769768737 /nfs/dbraw/zinc/76/87/37/769768737.db2.gz ZULNAEOIADGCSM-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488897 769768744 /nfs/dbraw/zinc/76/87/44/769768744.db2.gz ZULNAEOIADGCSM-KRWDZBQOSA-N 2 1 333.520 2.348 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC000979715798 770939152 /nfs/dbraw/zinc/93/91/52/770939152.db2.gz RXSKNNYOTVBTOA-IPMKNSEASA-N 2 1 345.531 2.491 20 30 EEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089643865 773674409 /nfs/dbraw/zinc/67/44/09/773674409.db2.gz CMJHNPAKPGKGFP-FGTMMUONSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089643865 773674416 /nfs/dbraw/zinc/67/44/16/773674416.db2.gz CMJHNPAKPGKGFP-FGTMMUONSA-N 2 1 333.520 2.347 20 30 EEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089643865 773674421 /nfs/dbraw/zinc/67/44/21/773674421.db2.gz CMJHNPAKPGKGFP-FGTMMUONSA-N 2 1 333.520 2.347 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC000980181574 774015671 /nfs/dbraw/zinc/01/56/71/774015671.db2.gz FAYMQCJHRIXKFS-XUVXKRRUSA-N 2 1 339.483 2.212 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980192084 774032886 /nfs/dbraw/zinc/03/28/86/774032886.db2.gz JVVCGKNPEIKAEE-YESZJQIVSA-N 2 1 330.476 2.409 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC000980192084 774032893 /nfs/dbraw/zinc/03/28/93/774032893.db2.gz JVVCGKNPEIKAEE-YESZJQIVSA-N 2 1 330.476 2.409 20 30 EEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779437 783190611 /nfs/dbraw/zinc/19/06/11/783190611.db2.gz ORPCXVSFLZEHRH-YRXWBPOGSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779437 783190615 /nfs/dbraw/zinc/19/06/15/783190615.db2.gz ORPCXVSFLZEHRH-YRXWBPOGSA-N 2 1 333.520 2.321 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779437 783190620 /nfs/dbraw/zinc/19/06/20/783190620.db2.gz ORPCXVSFLZEHRH-YRXWBPOGSA-N 2 1 333.520 2.321 20 30 EEEDMP C=CC[N@@H+]1CC[C@@]2(C1)C[C@H](NC(=O)CC[NH+](C)C)c1ccccc1O2 ZINC001111531805 790358205 /nfs/dbraw/zinc/35/82/05/790358205.db2.gz IXONNERSDGYOLS-PXNSSMCTSA-N 2 1 343.471 2.209 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851582 778034139 /nfs/dbraw/zinc/03/41/39/778034139.db2.gz WWWSGCVLIQBYIJ-MANSERQUSA-N 2 1 331.504 2.073 20 30 EEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000981799138 778223135 /nfs/dbraw/zinc/22/31/35/778223135.db2.gz RGZUMCYFNMCSSE-UHFFFAOYSA-N 2 1 345.512 2.371 20 30 EEEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007292 778849159 /nfs/dbraw/zinc/84/91/59/778849159.db2.gz YQVGLBQCDMGEKF-UXHICEINSA-N 2 1 341.499 2.442 20 30 EEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007292 778849165 /nfs/dbraw/zinc/84/91/65/778849165.db2.gz YQVGLBQCDMGEKF-UXHICEINSA-N 2 1 341.499 2.442 20 30 EEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007292 778849172 /nfs/dbraw/zinc/84/91/72/778849172.db2.gz YQVGLBQCDMGEKF-UXHICEINSA-N 2 1 341.499 2.442 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002918 779655908 /nfs/dbraw/zinc/65/59/08/779655908.db2.gz QMTCCBVTFPLXMR-HNNXBMFYSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002918 779655911 /nfs/dbraw/zinc/65/59/11/779655911.db2.gz QMTCCBVTFPLXMR-HNNXBMFYSA-N 2 1 327.900 2.297 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1ccnc1CC)CC2 ZINC001035186792 784064156 /nfs/dbraw/zinc/06/41/56/784064156.db2.gz JHYQJLORCODJTQ-KRWDZBQOSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)CC2 ZINC001035186792 784064161 /nfs/dbraw/zinc/06/41/61/784064161.db2.gz JHYQJLORCODJTQ-KRWDZBQOSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)CC2 ZINC001035186792 784064168 /nfs/dbraw/zinc/06/41/68/784064168.db2.gz JHYQJLORCODJTQ-KRWDZBQOSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035255906 784263013 /nfs/dbraw/zinc/26/30/13/784263013.db2.gz BJDVEGPYEPRBGP-UHFFFAOYSA-N 2 1 331.504 2.200 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135860818 784649673 /nfs/dbraw/zinc/64/96/73/784649673.db2.gz HYODXRBGQZRYMS-CVEARBPZSA-N 2 1 330.476 2.273 20 30 EEEDMP C=CCC[C@H](C)[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001105698213 785144080 /nfs/dbraw/zinc/14/40/80/785144080.db2.gz GPSJORWDTXJIRS-QFBILLFUSA-N 2 1 349.519 2.127 20 30 EEEDMP CCC[N@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]CCCOCC)C1 ZINC000912499117 788210985 /nfs/dbraw/zinc/21/09/85/788210985.db2.gz LCRMRTMCTOKQLN-INIZCTEOSA-N 2 1 326.529 2.479 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902787 789586325 /nfs/dbraw/zinc/58/63/25/789586325.db2.gz ZASIIOLFHLOVLE-QGFMHUBQSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902787 789586328 /nfs/dbraw/zinc/58/63/28/789586328.db2.gz ZASIIOLFHLOVLE-QGFMHUBQSA-N 2 1 331.504 2.053 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902787 789586334 /nfs/dbraw/zinc/58/63/34/789586334.db2.gz ZASIIOLFHLOVLE-QGFMHUBQSA-N 2 1 331.504 2.053 20 30 EEEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146591914 791360939 /nfs/dbraw/zinc/36/09/39/791360939.db2.gz IGGYIWHIYFLMLF-JKSUJKDBSA-N 2 1 330.476 2.271 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032583881 791693097 /nfs/dbraw/zinc/69/30/97/791693097.db2.gz GTZCZVHIMGACJA-GBESFXJTSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001032583881 791693101 /nfs/dbraw/zinc/69/31/01/791693101.db2.gz GTZCZVHIMGACJA-GBESFXJTSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032583881 791693112 /nfs/dbraw/zinc/69/31/12/791693112.db2.gz GTZCZVHIMGACJA-GBESFXJTSA-N 2 1 329.488 2.092 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032583881 791693116 /nfs/dbraw/zinc/69/31/16/791693116.db2.gz GTZCZVHIMGACJA-GBESFXJTSA-N 2 1 329.488 2.092 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@]2(C)C1 ZINC001091684809 792224479 /nfs/dbraw/zinc/22/44/79/792224479.db2.gz RMWBCAGDCIGDPL-HLIPFELVSA-N 2 1 342.487 2.200 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684809 792224501 /nfs/dbraw/zinc/22/45/01/792224501.db2.gz RMWBCAGDCIGDPL-HLIPFELVSA-N 2 1 342.487 2.200 20 30 EEEDMP C=C(Cl)CN1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148445042 792458095 /nfs/dbraw/zinc/45/80/95/792458095.db2.gz KTBNYXPTZUTPNS-UHFFFAOYSA-N 2 1 336.867 2.259 20 30 EEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC000992143458 792903250 /nfs/dbraw/zinc/90/32/50/792903250.db2.gz DOQJIDLUJZYYNV-KVSKMBFKSA-N 2 1 328.460 2.053 20 30 EEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC000992143458 792903259 /nfs/dbraw/zinc/90/32/59/792903259.db2.gz DOQJIDLUJZYYNV-KVSKMBFKSA-N 2 1 328.460 2.053 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092300481 793776609 /nfs/dbraw/zinc/77/66/09/793776609.db2.gz XEOGDCHPYUTFIZ-NQIIRXRSSA-N 2 1 339.483 2.165 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC001036783311 794984154 /nfs/dbraw/zinc/98/41/54/794984154.db2.gz XYSZCHLOKSGSDL-HKUYNNGSSA-N 2 1 334.423 2.042 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001093599138 795439259 /nfs/dbraw/zinc/43/92/59/795439259.db2.gz QLTRCPSXJSQVLT-IBGZPJMESA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001093599138 795439263 /nfs/dbraw/zinc/43/92/63/795439263.db2.gz QLTRCPSXJSQVLT-IBGZPJMESA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001098846835 795950774 /nfs/dbraw/zinc/95/07/74/795950774.db2.gz VMRJPYIDMRWEFG-CUSZFKRNSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001098846835 795950777 /nfs/dbraw/zinc/95/07/77/795950777.db2.gz VMRJPYIDMRWEFG-CUSZFKRNSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001098846835 795950778 /nfs/dbraw/zinc/95/07/78/795950778.db2.gz VMRJPYIDMRWEFG-CUSZFKRNSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846835 795950780 /nfs/dbraw/zinc/95/07/80/795950780.db2.gz VMRJPYIDMRWEFG-CUSZFKRNSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846835 795950782 /nfs/dbraw/zinc/95/07/82/795950782.db2.gz VMRJPYIDMRWEFG-CUSZFKRNSA-N 2 1 339.911 2.440 20 30 EEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667191 796074318 /nfs/dbraw/zinc/07/43/18/796074318.db2.gz NCQNWWDPZAJTIY-HYVNUMGLSA-N 2 1 330.476 2.014 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001094581582 796421344 /nfs/dbraw/zinc/42/13/44/796421344.db2.gz BAEAYOAPJZUGNQ-NLWGTHIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001094581582 796421349 /nfs/dbraw/zinc/42/13/49/796421349.db2.gz BAEAYOAPJZUGNQ-NLWGTHIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094581582 796421355 /nfs/dbraw/zinc/42/13/55/796421355.db2.gz BAEAYOAPJZUGNQ-NLWGTHIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094581582 796421361 /nfs/dbraw/zinc/42/13/61/796421361.db2.gz BAEAYOAPJZUGNQ-NLWGTHIKSA-N 2 1 349.519 2.034 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082742513 797675395 /nfs/dbraw/zinc/67/53/95/797675395.db2.gz IIKLLWBATQXPQN-MRRJBJDNSA-N 2 1 345.890 2.388 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014169 798611044 /nfs/dbraw/zinc/61/10/44/798611044.db2.gz IXZQKZNCGBUGJS-QRVBRYPASA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014169 798611045 /nfs/dbraw/zinc/61/10/45/798611045.db2.gz IXZQKZNCGBUGJS-QRVBRYPASA-N 2 1 331.504 2.055 20 30 EEEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112579582 806678491 /nfs/dbraw/zinc/67/84/91/806678491.db2.gz WGDGLAXJPAJKIT-HKUYNNGSSA-N 2 1 330.476 2.376 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](F)CC ZINC001178722905 799582181 /nfs/dbraw/zinc/58/21/81/799582181.db2.gz URUBPHAUIZSJOQ-IRXDYDNUSA-N 2 1 325.472 2.098 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](F)CC ZINC001178722905 799582186 /nfs/dbraw/zinc/58/21/86/799582186.db2.gz URUBPHAUIZSJOQ-IRXDYDNUSA-N 2 1 325.472 2.098 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001180260072 800337277 /nfs/dbraw/zinc/33/72/77/800337277.db2.gz SDRDSJKVBWHJDL-LJQANCHMSA-N 2 1 342.487 2.276 20 30 EEEDMP C[N@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001180260280 800337340 /nfs/dbraw/zinc/33/73/40/800337340.db2.gz WEMNBYHZQJPAFW-LJQANCHMSA-N 2 1 342.487 2.276 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181930532 800963035 /nfs/dbraw/zinc/96/30/35/800963035.db2.gz CVQLTTCFAKVUIB-UKPHBRMFSA-N 2 1 327.900 2.297 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946642392 802550682 /nfs/dbraw/zinc/55/06/82/802550682.db2.gz HWZIXDMUEVIKGW-OWCLPIDISA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)c2c(C)cc(C)nc2C)CC1 ZINC001098437475 802956303 /nfs/dbraw/zinc/95/63/03/802956303.db2.gz YUEXJKLTWULNKL-UHFFFAOYSA-N 2 1 345.487 2.482 20 30 EEEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCOCC1)C2 ZINC001108778549 804499100 /nfs/dbraw/zinc/49/91/00/804499100.db2.gz VQRIOZPTCRMAPB-FHWLQOOXSA-N 2 1 349.519 2.034 20 30 EEEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399457 805410364 /nfs/dbraw/zinc/41/03/64/805410364.db2.gz KPXLMMWDKXDYPI-YRXWBPOGSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399457 805410367 /nfs/dbraw/zinc/41/03/67/805410367.db2.gz KPXLMMWDKXDYPI-YRXWBPOGSA-N 2 1 349.519 2.173 20 30 EEEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399457 805410368 /nfs/dbraw/zinc/41/03/68/805410368.db2.gz KPXLMMWDKXDYPI-YRXWBPOGSA-N 2 1 349.519 2.173 20 30 EEEDMP CCOC(=O)[C@H](C#N)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001170373003 809928211 /nfs/dbraw/zinc/92/82/11/809928211.db2.gz DPTATJTYTOPLKK-ZBFHGGJFSA-N 2 1 341.415 2.218 20 30 EEEDMP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430087 810848221 /nfs/dbraw/zinc/84/82/21/810848221.db2.gz OQZPWANRDSMXCS-HXUWFJFHSA-N 2 1 339.483 2.151 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130430537 811629739 /nfs/dbraw/zinc/62/97/39/811629739.db2.gz CBABBBMLTKVXOL-INIZCTEOSA-N 2 1 347.507 2.123 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccccc2C#N)CCCC1 ZINC001444533391 1099303692 /nfs/dbraw/zinc/30/36/92/1099303692.db2.gz KWYFCSBOEVGALO-UHFFFAOYSA-N 2 1 342.487 2.419 20 30 EEEDMP CN(CCC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001447352823 1102507379 /nfs/dbraw/zinc/50/73/79/1102507379.db2.gz YKOADTHWCJLXOS-UHFFFAOYSA-N 2 1 342.487 2.180 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000152931876 539470182 /nfs/dbraw/zinc/47/01/82/539470182.db2.gz SDECWSBSHPWVNI-HNNXBMFYSA-N 2 1 326.448 2.353 20 30 EEEDMP COCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000066243451 462866596 /nfs/dbraw/zinc/86/65/96/462866596.db2.gz ZSMWZTRFTNOFMI-IYBDPMFKSA-N 2 1 332.492 2.215 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCCC2)cc1 ZINC000170905731 463738346 /nfs/dbraw/zinc/73/83/46/463738346.db2.gz NSEKWGCEUHLAAF-SFHVURJKSA-N 2 1 329.492 2.175 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncc(-c2ccccc2)cn1 ZINC000185591520 463847187 /nfs/dbraw/zinc/84/71/87/463847187.db2.gz LDBLOICCRXBNAR-KRWDZBQOSA-N 2 1 338.459 2.032 20 30 EEEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000288765980 464058219 /nfs/dbraw/zinc/05/82/19/464058219.db2.gz TWCLESPUSQIIGV-UHFFFAOYSA-N 2 1 339.434 2.109 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(C)(C)C)nc1 ZINC000272210529 464519792 /nfs/dbraw/zinc/51/97/92/464519792.db2.gz NZAKPGWIHWYOEA-HNNXBMFYSA-N 2 1 333.480 2.148 20 30 EEEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)NC1CCCCCC1 ZINC000272734629 464686399 /nfs/dbraw/zinc/68/63/99/464686399.db2.gz BCLIPLKYPMRGDS-LJQANCHMSA-N 2 1 344.503 2.380 20 30 EEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nc2c(cccc2C)o1 ZINC000267464643 464933722 /nfs/dbraw/zinc/93/37/22/464933722.db2.gz WCGZMLVASSDVOU-CQSZACIVSA-N 2 1 329.448 2.067 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000330030705 465512139 /nfs/dbraw/zinc/51/21/39/465512139.db2.gz SAWCUEWISHIKBR-SWLSCSKDSA-N 2 1 344.463 2.256 20 30 EEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000330030705 465512144 /nfs/dbraw/zinc/51/21/44/465512144.db2.gz SAWCUEWISHIKBR-SWLSCSKDSA-N 2 1 344.463 2.256 20 30 EEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000348407968 465587211 /nfs/dbraw/zinc/58/72/11/465587211.db2.gz XOQAHDSLVWYRDJ-YESZJQIVSA-N 2 1 334.508 2.428 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000299505516 465779392 /nfs/dbraw/zinc/77/93/92/465779392.db2.gz BVLLGGVRAAJURK-SFHVURJKSA-N 2 1 337.427 2.191 20 30 EEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000299505516 465779399 /nfs/dbraw/zinc/77/93/99/465779399.db2.gz BVLLGGVRAAJURK-SFHVURJKSA-N 2 1 337.427 2.191 20 30 EEEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527378093 467660194 /nfs/dbraw/zinc/66/01/94/467660194.db2.gz KHTSXSMYZFLDIK-WMZOPIPTSA-N 2 1 340.471 2.049 20 30 EEEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527378093 467660197 /nfs/dbraw/zinc/66/01/97/467660197.db2.gz KHTSXSMYZFLDIK-WMZOPIPTSA-N 2 1 340.471 2.049 20 30 EEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2F)CC1 ZINC000565475453 468132447 /nfs/dbraw/zinc/13/24/47/468132447.db2.gz ACUDDVNVZUDJPV-SFHVURJKSA-N 2 1 336.451 2.333 20 30 EEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(CC#N)CC3)CC2)CC1 ZINC000584730366 468924744 /nfs/dbraw/zinc/92/47/44/468924744.db2.gz QLXWJZPVPLFRPE-UHFFFAOYSA-N 2 1 346.519 2.335 20 30 EEEDMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610511856 468990941 /nfs/dbraw/zinc/99/09/41/468990941.db2.gz QKPWZMDGMDITLL-IBGZPJMESA-N 2 1 345.487 2.299 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000153093696 526922539 /nfs/dbraw/zinc/92/25/39/526922539.db2.gz PTAHXWTZVWMSEK-UHFFFAOYSA-N 2 1 341.499 2.358 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000730097320 576714666 /nfs/dbraw/zinc/71/46/66/576714666.db2.gz PUZOTLGFERRNLS-UXHICEINSA-N 2 1 341.499 2.153 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000730097320 576714669 /nfs/dbraw/zinc/71/46/69/576714669.db2.gz PUZOTLGFERRNLS-UXHICEINSA-N 2 1 341.499 2.153 20 30 EEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001021091096 675716831 /nfs/dbraw/zinc/71/68/31/675716831.db2.gz RROWFXATDLQRGK-BIQWYFBQSA-N 2 1 346.500 2.229 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001022071420 676637797 /nfs/dbraw/zinc/63/77/97/676637797.db2.gz PKQFBASZYLGLHH-OTWHNJEPSA-N 2 1 340.471 2.168 20 30 EEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000889016065 678622415 /nfs/dbraw/zinc/62/24/15/678622415.db2.gz PHAYESRRERGMKG-YTQUADARSA-N 2 1 342.487 2.075 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000889016065 678622418 /nfs/dbraw/zinc/62/24/18/678622418.db2.gz PHAYESRRERGMKG-YTQUADARSA-N 2 1 342.487 2.075 20 30 EEEDMP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972419160 678714292 /nfs/dbraw/zinc/71/42/92/678714292.db2.gz BOXLPZFRSALPNW-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000972419160 678714297 /nfs/dbraw/zinc/71/42/97/678714297.db2.gz BOXLPZFRSALPNW-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000972419160 678714300 /nfs/dbraw/zinc/71/43/00/678714300.db2.gz BOXLPZFRSALPNW-UYAOXDASSA-N 2 1 349.519 2.130 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414696 679298247 /nfs/dbraw/zinc/29/82/47/679298247.db2.gz YSBBDHVRRJGLAP-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414696 679298248 /nfs/dbraw/zinc/29/82/48/679298248.db2.gz YSBBDHVRRJGLAP-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414696 679298249 /nfs/dbraw/zinc/29/82/49/679298249.db2.gz YSBBDHVRRJGLAP-HKUYNNGSSA-N 2 1 331.504 2.245 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023464997 679324364 /nfs/dbraw/zinc/32/43/64/679324364.db2.gz JQGJVZHDJTXDCJ-OAHLLOKOSA-N 2 1 325.884 2.196 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023464997 679324365 /nfs/dbraw/zinc/32/43/65/679324365.db2.gz JQGJVZHDJTXDCJ-OAHLLOKOSA-N 2 1 325.884 2.196 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646041 679447289 /nfs/dbraw/zinc/44/72/89/679447289.db2.gz HGHLRMILNXFWKT-GOSISDBHSA-N 2 1 327.472 2.213 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001024624026 681290639 /nfs/dbraw/zinc/29/06/39/681290639.db2.gz KTRWUCPMHMWYLQ-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624026 681290642 /nfs/dbraw/zinc/29/06/42/681290642.db2.gz KTRWUCPMHMWYLQ-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624026 681290643 /nfs/dbraw/zinc/29/06/43/681290643.db2.gz KTRWUCPMHMWYLQ-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP CC[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261994917 682760268 /nfs/dbraw/zinc/76/02/68/682760268.db2.gz SEXPASMBODGTIZ-XHDPSFHLSA-N 2 1 335.521 2.298 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025451521 682785897 /nfs/dbraw/zinc/78/58/97/682785897.db2.gz HRHSLUNXAUAINL-ROUUACIJSA-N 2 1 331.504 2.102 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590773 683051146 /nfs/dbraw/zinc/05/11/46/683051146.db2.gz RMPXSRWIMPAWPW-XLIONFOSSA-N 2 1 345.531 2.348 20 30 EEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC000992738975 683341626 /nfs/dbraw/zinc/34/16/26/683341626.db2.gz IVECFPKWIQEIAJ-HYVNUMGLSA-N 2 1 346.475 2.143 20 30 EEEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC000992752442 683383660 /nfs/dbraw/zinc/38/36/60/683383660.db2.gz SAMZRSDGAJMYCH-YESZJQIVSA-N 2 1 342.487 2.165 20 30 EEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC000992774119 683432523 /nfs/dbraw/zinc/43/25/23/683432523.db2.gz SMDANJMGTSUNLX-HRCADAONSA-N 2 1 336.867 2.161 20 30 EEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647027 693746805 /nfs/dbraw/zinc/74/68/05/693746805.db2.gz KPTZARIDCLZDMG-QUCCMNQESA-N 2 1 327.472 2.019 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956646 685806818 /nfs/dbraw/zinc/80/68/18/685806818.db2.gz QSQWEKGDUGXWGB-WBVHZDCISA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956646 685806823 /nfs/dbraw/zinc/80/68/23/685806823.db2.gz QSQWEKGDUGXWGB-WBVHZDCISA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956640 685807248 /nfs/dbraw/zinc/80/72/48/685807248.db2.gz QSQWEKGDUGXWGB-DOTOQJQBSA-N 2 1 330.476 2.157 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956640 685807253 /nfs/dbraw/zinc/80/72/53/685807253.db2.gz QSQWEKGDUGXWGB-DOTOQJQBSA-N 2 1 330.476 2.157 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029757926 687023189 /nfs/dbraw/zinc/02/31/89/687023189.db2.gz LOJOVYLZKRFLGN-MJGOQNOKSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029757926 687023194 /nfs/dbraw/zinc/02/31/94/687023194.db2.gz LOJOVYLZKRFLGN-MJGOQNOKSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029757926 687023197 /nfs/dbraw/zinc/02/31/97/687023197.db2.gz LOJOVYLZKRFLGN-MJGOQNOKSA-N 2 1 345.531 2.301 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029757926 687023203 /nfs/dbraw/zinc/02/32/03/687023203.db2.gz LOJOVYLZKRFLGN-MJGOQNOKSA-N 2 1 345.531 2.301 20 30 EEEDMP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000986352104 688524573 /nfs/dbraw/zinc/52/45/73/688524573.db2.gz FTNOZZPBICCPFK-SUMWQHHRSA-N 2 1 346.500 2.183 20 30 EEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977326263 692490545 /nfs/dbraw/zinc/49/05/45/692490545.db2.gz CNANNAFVNHWXIH-GOSISDBHSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(C)C3)CC2(C)C)CC1 ZINC000977650695 692879438 /nfs/dbraw/zinc/87/94/38/692879438.db2.gz FDSHVKJKPXZTSD-FAFZWHIHSA-N 2 1 345.531 2.204 20 30 EEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089381 1193362440 /nfs/dbraw/zinc/36/24/40/1193362440.db2.gz GYOSSMLIILIIGR-LPHOPBHVSA-N 2 1 327.472 2.212 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)C[C@@H]2C)CC1 ZINC000945181446 1193415767 /nfs/dbraw/zinc/41/57/67/1193415767.db2.gz NFXRLEOGSLTMIM-HKUYNNGSSA-N 2 1 331.504 2.124 20 30 EEEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001105427682 1186942626 /nfs/dbraw/zinc/94/26/26/1186942626.db2.gz ZVQUYXVMFLZNTG-PUZFROQSSA-N 2 1 338.455 2.335 20 30 EEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818030 1194440753 /nfs/dbraw/zinc/44/07/53/1194440753.db2.gz AZTYANJDZHREPB-WCIQWLHISA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818030 1194440755 /nfs/dbraw/zinc/44/07/55/1194440755.db2.gz AZTYANJDZHREPB-WCIQWLHISA-N 2 1 343.515 2.197 20 30 EEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818030 1194440756 /nfs/dbraw/zinc/44/07/56/1194440756.db2.gz AZTYANJDZHREPB-WCIQWLHISA-N 2 1 343.515 2.197 20 30 EEEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832454 1195345600 /nfs/dbraw/zinc/34/56/00/1195345600.db2.gz FROFKJRBSDAKTB-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832454 1195345606 /nfs/dbraw/zinc/34/56/06/1195345606.db2.gz FROFKJRBSDAKTB-IEBWSBKVSA-N 2 1 331.504 2.197 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001034003559 1195645606 /nfs/dbraw/zinc/64/56/06/1195645606.db2.gz DVBIDZUVYKAWGU-KRWDZBQOSA-N 2 1 339.443 2.380 20 30 EEEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001034139584 1195812957 /nfs/dbraw/zinc/81/29/57/1195812957.db2.gz UUMIJYGZLUMCMX-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001034139584 1195812961 /nfs/dbraw/zinc/81/29/61/1195812961.db2.gz UUMIJYGZLUMCMX-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001034139584 1195812966 /nfs/dbraw/zinc/81/29/66/1195812966.db2.gz UUMIJYGZLUMCMX-RBUKOAKNSA-N 2 1 340.471 2.123 20 30 EEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034393338 1196182435 /nfs/dbraw/zinc/18/24/35/1196182435.db2.gz CVZSUVKYVMJXTC-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034393338 1196182438 /nfs/dbraw/zinc/18/24/38/1196182438.db2.gz CVZSUVKYVMJXTC-SJORKVTESA-N 2 1 330.476 2.301 20 30 EEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034396325 1196186588 /nfs/dbraw/zinc/18/65/88/1196186588.db2.gz DUSXRCHNWPRIQK-VQIMIIECSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034396325 1196186589 /nfs/dbraw/zinc/18/65/89/1196186589.db2.gz DUSXRCHNWPRIQK-VQIMIIECSA-N 2 1 337.483 2.193 20 30 EEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034396325 1196186591 /nfs/dbraw/zinc/18/65/91/1196186591.db2.gz DUSXRCHNWPRIQK-VQIMIIECSA-N 2 1 337.483 2.193 20 30 EEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034413399 1196210677 /nfs/dbraw/zinc/21/06/77/1196210677.db2.gz IBKLXPHTZDCTNA-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034413399 1196210681 /nfs/dbraw/zinc/21/06/81/1196210681.db2.gz IBKLXPHTZDCTNA-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034413399 1196210684 /nfs/dbraw/zinc/21/06/84/1196210684.db2.gz IBKLXPHTZDCTNA-AQNXPRMDSA-N 2 1 341.499 2.489 20 30 EEEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001034973076 1196930213 /nfs/dbraw/zinc/93/02/13/1196930213.db2.gz LESOKZQZAFLMKL-MOPGFXCFSA-N 2 1 340.471 2.123 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001132273905 1199522543 /nfs/dbraw/zinc/52/25/43/1199522543.db2.gz LPKLBHZZGMTKKQ-YOEHRIQHSA-N 2 1 346.450 2.118 20 30 EEEDMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001132273905 1199522544 /nfs/dbraw/zinc/52/25/44/1199522544.db2.gz LPKLBHZZGMTKKQ-YOEHRIQHSA-N 2 1 346.450 2.118 20 30 EEEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001132737788 1199965382 /nfs/dbraw/zinc/96/53/82/1199965382.db2.gz QBIAYKSUNFMFTC-MRXNPFEDSA-N 2 1 346.450 2.025 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947537138 1208611018 /nfs/dbraw/zinc/61/10/18/1208611018.db2.gz LMZQQXVGOZNHOT-CVEARBPZSA-N 2 1 339.443 2.426 20 30 EEEDMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1C#N ZINC000948039697 1208835568 /nfs/dbraw/zinc/83/55/68/1208835568.db2.gz JWHOXYZXDVDANX-LPHOPBHVSA-N 2 1 340.471 2.123 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000948432438 1209135353 /nfs/dbraw/zinc/13/53/53/1209135353.db2.gz GWYITFHVAICDHP-HKUYNNGSSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000948432438 1209135355 /nfs/dbraw/zinc/13/53/55/1209135355.db2.gz GWYITFHVAICDHP-HKUYNNGSSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000948432438 1209135356 /nfs/dbraw/zinc/13/53/56/1209135356.db2.gz GWYITFHVAICDHP-HKUYNNGSSA-N 2 1 349.519 2.129 20 30 EEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000948565963 1209226032 /nfs/dbraw/zinc/22/60/32/1209226032.db2.gz IUHFVLUCIIVSCX-DLBZAZTESA-N 2 1 342.487 2.159 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000948565963 1209226034 /nfs/dbraw/zinc/22/60/34/1209226034.db2.gz IUHFVLUCIIVSCX-DLBZAZTESA-N 2 1 342.487 2.159 20 30 EEEDMP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000949358169 1209648790 /nfs/dbraw/zinc/64/87/90/1209648790.db2.gz FVWJZQZVJRIDFX-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000949358169 1209648792 /nfs/dbraw/zinc/64/87/92/1209648792.db2.gz FVWJZQZVJRIDFX-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000949358169 1209648794 /nfs/dbraw/zinc/64/87/94/1209648794.db2.gz FVWJZQZVJRIDFX-SFHVURJKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000949529367 1209729416 /nfs/dbraw/zinc/72/94/16/1209729416.db2.gz QNBBBEZVXKDCMJ-HDICACEKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000949529367 1209729419 /nfs/dbraw/zinc/72/94/19/1209729419.db2.gz QNBBBEZVXKDCMJ-HDICACEKSA-N 2 1 349.519 2.129 20 30 EEEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000949529367 1209729420 /nfs/dbraw/zinc/72/94/20/1209729420.db2.gz QNBBBEZVXKDCMJ-HDICACEKSA-N 2 1 349.519 2.129 20 30 EEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000303778915 1213904999 /nfs/dbraw/zinc/90/49/99/1213904999.db2.gz KCBSIQYKOGLOMA-OALUTQOASA-N 3 1 345.535 2.458 20 30 EEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000303778915 1213905003 /nfs/dbraw/zinc/90/50/03/1213905003.db2.gz KCBSIQYKOGLOMA-OALUTQOASA-N 3 1 345.535 2.458 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000303793035 1213906105 /nfs/dbraw/zinc/90/61/05/1213906105.db2.gz YVVAVDSCTJXGKV-OALUTQOASA-N 3 1 343.519 2.212 20 30 EEEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCCC1 ZINC000303793035 1213906110 /nfs/dbraw/zinc/90/61/10/1213906110.db2.gz YVVAVDSCTJXGKV-OALUTQOASA-N 2 1 343.519 2.212 20 30 EEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCCC1 ZINC000303793035 1213906115 /nfs/dbraw/zinc/90/61/15/1213906115.db2.gz YVVAVDSCTJXGKV-OALUTQOASA-N 2 1 343.519 2.212 20 30 EEEDMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC000960717066 1216828706 /nfs/dbraw/zinc/82/87/06/1216828706.db2.gz KNUJSABPEAPJFQ-RBUKOAKNSA-N 2 1 342.487 2.321 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961206471 1217089251 /nfs/dbraw/zinc/08/92/51/1217089251.db2.gz DVLIUIKAYKMXEC-IRXDYDNUSA-N 2 1 336.439 2.142 20 30 EEEDMP C#CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961226619 1217097548 /nfs/dbraw/zinc/09/75/48/1217097548.db2.gz BXTLPGCCWGFIDT-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961226619 1217097549 /nfs/dbraw/zinc/09/75/49/1217097549.db2.gz BXTLPGCCWGFIDT-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961226619 1217097551 /nfs/dbraw/zinc/09/75/51/1217097551.db2.gz BXTLPGCCWGFIDT-RBUKOAKNSA-N 2 1 345.531 2.302 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963413246 1217609216 /nfs/dbraw/zinc/60/92/16/1217609216.db2.gz CTLAKAJMIBWIOE-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963413246 1217609219 /nfs/dbraw/zinc/60/92/19/1217609219.db2.gz CTLAKAJMIBWIOE-ROUUACIJSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000968947085 1221693957 /nfs/dbraw/zinc/69/39/57/1221693957.db2.gz LDQTXZYIYXTZCG-QGZVFWFLSA-N 2 1 339.443 2.428 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007894325 1222488205 /nfs/dbraw/zinc/48/82/05/1222488205.db2.gz HWYTYVSGUWPVKH-OAHLLOKOSA-N 2 1 325.416 2.038 20 30 EEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001016818036 1226901529 /nfs/dbraw/zinc/90/15/29/1226901529.db2.gz ABZFMKRILBBXME-KXBFYZLASA-N 2 1 337.483 2.356 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039143994 1230362562 /nfs/dbraw/zinc/36/25/62/1230362562.db2.gz FQWBJDNNNRAPDN-WOJBJXKFSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173473 1230398827 /nfs/dbraw/zinc/39/88/27/1230398827.db2.gz XJAFPNXOQVEHKS-SJORKVTESA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173473 1230398829 /nfs/dbraw/zinc/39/88/29/1230398829.db2.gz XJAFPNXOQVEHKS-SJORKVTESA-N 2 1 339.911 2.251 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173473 1230398832 /nfs/dbraw/zinc/39/88/32/1230398832.db2.gz XJAFPNXOQVEHKS-SJORKVTESA-N 2 1 339.911 2.251 20 30 EEEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182169 1230409429 /nfs/dbraw/zinc/40/94/29/1230409429.db2.gz KHGPJPLTWBEDLC-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182169 1230409431 /nfs/dbraw/zinc/40/94/31/1230409431.db2.gz KHGPJPLTWBEDLC-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182169 1230409433 /nfs/dbraw/zinc/40/94/33/1230409433.db2.gz KHGPJPLTWBEDLC-UXHICEINSA-N 2 1 345.531 2.445 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039235619 1230468789 /nfs/dbraw/zinc/46/87/89/1230468789.db2.gz QQYXWKRDFBJPRE-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039235619 1230468791 /nfs/dbraw/zinc/46/87/91/1230468791.db2.gz QQYXWKRDFBJPRE-QZTJIDSGSA-N 2 1 342.487 2.343 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039255609 1230490841 /nfs/dbraw/zinc/49/08/41/1230490841.db2.gz DFEOSGSETXJVBF-PMACEKPBSA-N 2 1 345.531 2.443 20 30 EEEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040298770 1231158584 /nfs/dbraw/zinc/15/85/84/1231158584.db2.gz ZQJYQHJWDYNSBH-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040298770 1231158587 /nfs/dbraw/zinc/15/85/87/1231158587.db2.gz ZQJYQHJWDYNSBH-LJQANCHMSA-N 2 1 330.476 2.472 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(C)C)C3)CC1 ZINC001040542379 1231283684 /nfs/dbraw/zinc/28/36/84/1231283684.db2.gz HSDIXHRWJFDNRM-OAQYLSRUSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C/C=C\Cl)CC2 ZINC001040731533 1231351371 /nfs/dbraw/zinc/35/13/71/1231351371.db2.gz MPDWZUZJHYEDCU-ASRSSLEJSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C/C=C\Cl)CC2 ZINC001040731533 1231351373 /nfs/dbraw/zinc/35/13/73/1231351373.db2.gz MPDWZUZJHYEDCU-ASRSSLEJSA-N 2 1 349.906 2.151 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288304 1231495897 /nfs/dbraw/zinc/49/58/97/1231495897.db2.gz VWPZJUDURJEROO-AEFFLSMTSA-N 2 1 337.895 2.005 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288304 1231495898 /nfs/dbraw/zinc/49/58/98/1231495898.db2.gz VWPZJUDURJEROO-AEFFLSMTSA-N 2 1 337.895 2.005 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4nccn43)C2)C1 ZINC001041356632 1231518334 /nfs/dbraw/zinc/51/83/34/1231518334.db2.gz AEGRTLYGWWOWBG-VQIMIIECSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041356632 1231518336 /nfs/dbraw/zinc/51/83/36/1231518336.db2.gz AEGRTLYGWWOWBG-VQIMIIECSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041356632 1231518337 /nfs/dbraw/zinc/51/83/37/1231518337.db2.gz AEGRTLYGWWOWBG-VQIMIIECSA-N 2 1 328.460 2.261 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001041695276 1231651069 /nfs/dbraw/zinc/65/10/69/1231651069.db2.gz AHMAMIJCSDGYHT-GPMSIDNRSA-N 2 1 328.460 2.024 20 30 EEEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723883 1231662098 /nfs/dbraw/zinc/66/20/98/1231662098.db2.gz LWFIKDGZKYXVCU-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723883 1231662102 /nfs/dbraw/zinc/66/21/02/1231662102.db2.gz LWFIKDGZKYXVCU-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723883 1231662103 /nfs/dbraw/zinc/66/21/03/1231662103.db2.gz LWFIKDGZKYXVCU-AZUAARDMSA-N 2 1 331.504 2.197 20 30 EEEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001044792599 1233268794 /nfs/dbraw/zinc/26/87/94/1233268794.db2.gz LPEPUXMFXBZSBF-ZBFHGGJFSA-N 2 1 325.416 2.036 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001045944111 1234204601 /nfs/dbraw/zinc/20/46/01/1234204601.db2.gz XOBJOTPIFGOVPD-ICSRJNTNSA-N 2 1 349.494 2.148 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001045944111 1234204603 /nfs/dbraw/zinc/20/46/03/1234204603.db2.gz XOBJOTPIFGOVPD-ICSRJNTNSA-N 2 1 349.494 2.148 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCCF)C2)C1 ZINC001045944111 1234204607 /nfs/dbraw/zinc/20/46/07/1234204607.db2.gz XOBJOTPIFGOVPD-ICSRJNTNSA-N 2 1 349.494 2.148 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCCF)C2)C1 ZINC001045944111 1234204610 /nfs/dbraw/zinc/20/46/10/1234204610.db2.gz XOBJOTPIFGOVPD-ICSRJNTNSA-N 2 1 349.494 2.148 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001046849218 1235246386 /nfs/dbraw/zinc/24/63/86/1235246386.db2.gz CPQXOCUJZPDSJO-OAQYLSRUSA-N 2 1 345.531 2.493 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001046849541 1235247204 /nfs/dbraw/zinc/24/72/04/1235247204.db2.gz GQYIUSLGXDATAN-NRFANRHFSA-N 2 1 345.531 2.493 20 30 EEEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863719 1235261184 /nfs/dbraw/zinc/26/11/84/1235261184.db2.gz HGKQSEWJAHDRLC-IBGZPJMESA-N 2 1 331.460 2.339 20 30 EEEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863719 1235261186 /nfs/dbraw/zinc/26/11/86/1235261186.db2.gz HGKQSEWJAHDRLC-IBGZPJMESA-N 2 1 331.460 2.339 20 30 EEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583589 1238023546 /nfs/dbraw/zinc/02/35/46/1238023546.db2.gz MULKCAPGWNGOML-LTFPLMDUSA-N 2 1 345.531 2.489 20 30 EEEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)CC1 ZINC001000153806 1240004191 /nfs/dbraw/zinc/00/41/91/1240004191.db2.gz LSYWEZMONVKZAN-PKOBYXMFSA-N 2 1 343.515 2.245 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001000195683 1240051088 /nfs/dbraw/zinc/05/10/88/1240051088.db2.gz ZHQNANXYVOYUBT-HUUCEWRRSA-N 2 1 346.500 2.185 20 30 EEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235647 1240340601 /nfs/dbraw/zinc/34/06/01/1240340601.db2.gz QJHBJZNKRLMGFM-OTWHNJEPSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2cncc2C1 ZINC001049554919 1241395422 /nfs/dbraw/zinc/39/54/22/1241395422.db2.gz ILGWTIZUNUIBIU-QXAKKESOSA-N 2 1 342.487 2.477 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563636 1241432573 /nfs/dbraw/zinc/43/25/73/1241432573.db2.gz GGNYUXOAKDLDAG-ZWKOTPCHSA-N 2 1 331.504 2.338 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563636 1241432579 /nfs/dbraw/zinc/43/25/79/1241432579.db2.gz GGNYUXOAKDLDAG-ZWKOTPCHSA-N 2 1 331.504 2.338 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001049671753 1241836021 /nfs/dbraw/zinc/83/60/21/1241836021.db2.gz HVPWPWQIHHKLBM-QRVBRYPASA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001049671753 1241836027 /nfs/dbraw/zinc/83/60/27/1241836027.db2.gz HVPWPWQIHHKLBM-QRVBRYPASA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001049671753 1241836032 /nfs/dbraw/zinc/83/60/32/1241836032.db2.gz HVPWPWQIHHKLBM-QRVBRYPASA-N 2 1 349.519 2.127 20 30 EEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001049671753 1241836039 /nfs/dbraw/zinc/83/60/39/1241836039.db2.gz HVPWPWQIHHKLBM-QRVBRYPASA-N 2 1 349.519 2.127 20 30 EEEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049786478 1242181505 /nfs/dbraw/zinc/18/15/05/1242181505.db2.gz BQTVTAJMPZQCID-MOPGFXCFSA-N 2 1 325.456 2.060 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](C[C@@H](C)CC)CC2)CC1 ZINC001001468737 1242330669 /nfs/dbraw/zinc/33/06/69/1242330669.db2.gz VRDALKWIPXKIHM-KRWDZBQOSA-N 2 1 331.504 2.126 20 30 EEEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049835273 1242362764 /nfs/dbraw/zinc/36/27/64/1242362764.db2.gz HERMVPDPCOXDJU-OTWHNJEPSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049835273 1242362770 /nfs/dbraw/zinc/36/27/70/1242362770.db2.gz HERMVPDPCOXDJU-OTWHNJEPSA-N 2 1 331.504 2.340 20 30 EEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049835273 1242362779 /nfs/dbraw/zinc/36/27/79/1242362779.db2.gz HERMVPDPCOXDJU-OTWHNJEPSA-N 2 1 331.504 2.340 20 30 EEEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001050078927 1242796815 /nfs/dbraw/zinc/79/68/15/1242796815.db2.gz VPDATGMYJSPTRW-QFBILLFUSA-N 2 1 336.439 2.202 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052713105 1244811752 /nfs/dbraw/zinc/81/17/52/1244811752.db2.gz QVXACVFKTOGUFG-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052713105 1244811760 /nfs/dbraw/zinc/81/17/60/1244811760.db2.gz QVXACVFKTOGUFG-DLBZAZTESA-N 2 1 330.476 2.301 20 30 EEEDMP C=CCC[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)C3)cccc2C1 ZINC001051307131 1245513535 /nfs/dbraw/zinc/51/35/35/1245513535.db2.gz MUJRBWGUWBPMNQ-GOSISDBHSA-N 2 1 327.472 2.189 20 30 EEEDMP C=CCC[N@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307131 1245513541 /nfs/dbraw/zinc/51/35/41/1245513541.db2.gz MUJRBWGUWBPMNQ-GOSISDBHSA-N 2 1 327.472 2.189 20 30 EEEDMP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307131 1245513544 /nfs/dbraw/zinc/51/35/44/1245513544.db2.gz MUJRBWGUWBPMNQ-GOSISDBHSA-N 2 1 327.472 2.189 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240557 1245558526 /nfs/dbraw/zinc/55/85/26/1245558526.db2.gz BHJKSGIFYWDMAS-HBFSDRIKSA-N 2 1 331.504 2.075 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101284148 1245611860 /nfs/dbraw/zinc/61/18/60/1245611860.db2.gz QBYJMUNYXGQBSK-PBHICJAKSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101284148 1245611867 /nfs/dbraw/zinc/61/18/67/1245611867.db2.gz QBYJMUNYXGQBSK-PBHICJAKSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101284148 1245611877 /nfs/dbraw/zinc/61/18/77/1245611877.db2.gz QBYJMUNYXGQBSK-PBHICJAKSA-N 2 1 327.900 2.250 20 30 EEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101284148 1245611881 /nfs/dbraw/zinc/61/18/81/1245611881.db2.gz QBYJMUNYXGQBSK-PBHICJAKSA-N 2 1 327.900 2.250 20 30 EEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001101286030 1245613439 /nfs/dbraw/zinc/61/34/39/1245613439.db2.gz GQKZEDZUKUQVSN-BEFAXECRSA-N 2 1 346.475 2.096 20 30 EEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001101286030 1245613443 /nfs/dbraw/zinc/61/34/43/1245613443.db2.gz GQKZEDZUKUQVSN-BEFAXECRSA-N 2 1 346.475 2.096 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052456219 1247328425 /nfs/dbraw/zinc/32/84/25/1247328425.db2.gz CMNGPEIWJNBVSQ-UXHICEINSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052456219 1247328433 /nfs/dbraw/zinc/32/84/33/1247328433.db2.gz CMNGPEIWJNBVSQ-UXHICEINSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052456219 1247328446 /nfs/dbraw/zinc/32/84/46/1247328446.db2.gz CMNGPEIWJNBVSQ-UXHICEINSA-N 2 1 339.483 2.255 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052456219 1247328457 /nfs/dbraw/zinc/32/84/57/1247328457.db2.gz CMNGPEIWJNBVSQ-UXHICEINSA-N 2 1 339.483 2.255 20 30 EEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054141694 1247504298 /nfs/dbraw/zinc/50/42/98/1247504298.db2.gz NRNREIGVGYMRBV-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141694 1247504305 /nfs/dbraw/zinc/50/43/05/1247504305.db2.gz NRNREIGVGYMRBV-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141694 1247504311 /nfs/dbraw/zinc/50/43/11/1247504311.db2.gz NRNREIGVGYMRBV-ICSRJNTNSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142696 1247510610 /nfs/dbraw/zinc/51/06/10/1247510610.db2.gz GYZGWFKAKPZDHB-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142696 1247510618 /nfs/dbraw/zinc/51/06/18/1247510618.db2.gz GYZGWFKAKPZDHB-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142696 1247510627 /nfs/dbraw/zinc/51/06/27/1247510627.db2.gz GYZGWFKAKPZDHB-FPOVZHCZSA-N 2 1 345.531 2.302 20 30 EEEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054145168 1247516734 /nfs/dbraw/zinc/51/67/34/1247516734.db2.gz LOIIQFXOZGEDGF-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054145168 1247516741 /nfs/dbraw/zinc/51/67/41/1247516741.db2.gz LOIIQFXOZGEDGF-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054145168 1247516750 /nfs/dbraw/zinc/51/67/50/1247516750.db2.gz LOIIQFXOZGEDGF-ICSRJNTNSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](C/C=C\Cl)C2)C1 ZINC001054147558 1247524797 /nfs/dbraw/zinc/52/47/97/1247524797.db2.gz UKECLBDSAGFRNG-OIAIWYTBSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](C/C=C\Cl)C2)C1 ZINC001054147558 1247524810 /nfs/dbraw/zinc/52/48/10/1247524810.db2.gz UKECLBDSAGFRNG-OIAIWYTBSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](C/C=C\Cl)C2)C1 ZINC001054147558 1247524821 /nfs/dbraw/zinc/52/48/21/1247524821.db2.gz UKECLBDSAGFRNG-OIAIWYTBSA-N 2 1 349.906 2.151 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](C/C=C\Cl)C2)C1 ZINC001054147558 1247524827 /nfs/dbraw/zinc/52/48/27/1247524827.db2.gz UKECLBDSAGFRNG-OIAIWYTBSA-N 2 1 349.906 2.151 20 30 EEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052567256 1247576484 /nfs/dbraw/zinc/57/64/84/1247576484.db2.gz VTPOLQYWPJDRDF-MRXNPFEDSA-N 2 1 330.476 2.309 20 30 EEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052567256 1247576491 /nfs/dbraw/zinc/57/64/91/1247576491.db2.gz VTPOLQYWPJDRDF-MRXNPFEDSA-N 2 1 330.476 2.309 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054245529 1247862880 /nfs/dbraw/zinc/86/28/80/1247862880.db2.gz VDWRXNJZNQVTMR-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245529 1247862892 /nfs/dbraw/zinc/86/28/92/1247862892.db2.gz VDWRXNJZNQVTMR-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245529 1247862912 /nfs/dbraw/zinc/86/29/12/1247862912.db2.gz VDWRXNJZNQVTMR-AZUAARDMSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc3c(c2)C[N@@H+](CCC)C3)CC1 ZINC001054292399 1248032099 /nfs/dbraw/zinc/03/20/99/1248032099.db2.gz DQLQVJLFXONNGB-UHFFFAOYSA-N 2 1 339.483 2.374 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC[C@@H](C)F)C3)CC1 ZINC001099174301 1257994182 /nfs/dbraw/zinc/99/41/82/1257994182.db2.gz GVUDQAHQMZUEMP-KPFFTGBYSA-N 2 1 349.494 2.050 20 30 EEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC2(CCOCC2)C1 ZINC001099582904 1258226747 /nfs/dbraw/zinc/22/67/47/1258226747.db2.gz DULNEZQIMKPZDP-QGZVFWFLSA-N 2 1 349.519 2.034 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001100829991 1259313294 /nfs/dbraw/zinc/31/32/94/1259313294.db2.gz WJTSOZQDZVNIMH-UHFFFAOYSA-N 2 1 346.450 2.024 20 30 EEEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135030095 1278118764 /nfs/dbraw/zinc/11/87/64/1278118764.db2.gz XMSRODLSDCTJNK-CHWSQXEVSA-N 2 1 345.472 2.198 20 30 EEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190177601 1280724057 /nfs/dbraw/zinc/72/40/57/1280724057.db2.gz RBJCEXPOLNMJTM-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190177601 1280724063 /nfs/dbraw/zinc/72/40/63/1280724063.db2.gz RBJCEXPOLNMJTM-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190177601 1280724070 /nfs/dbraw/zinc/72/40/70/1280724070.db2.gz RBJCEXPOLNMJTM-HKUYNNGSSA-N 2 1 331.504 2.197 20 30 EEEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001191020148 1281179745 /nfs/dbraw/zinc/17/97/45/1281179745.db2.gz UYGZJKDZWCLFKT-LJQANCHMSA-N 2 1 341.499 2.301 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001191020148 1281179748 /nfs/dbraw/zinc/17/97/48/1281179748.db2.gz UYGZJKDZWCLFKT-LJQANCHMSA-N 2 1 341.499 2.301 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001191020148 1281179749 /nfs/dbraw/zinc/17/97/49/1281179749.db2.gz UYGZJKDZWCLFKT-LJQANCHMSA-N 2 1 341.499 2.301 20 30 EEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191383438 1281345011 /nfs/dbraw/zinc/34/50/11/1281345011.db2.gz UPGDKZKOSZCXRQ-MRXNPFEDSA-N 2 1 330.476 2.261 20 30 EEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191383438 1281345018 /nfs/dbraw/zinc/34/50/18/1281345018.db2.gz UPGDKZKOSZCXRQ-MRXNPFEDSA-N 2 1 330.476 2.261 20 30 EEEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192848888 1282209252 /nfs/dbraw/zinc/20/92/52/1282209252.db2.gz YHVHCSVVNWFMTJ-IBGZPJMESA-N 2 1 345.487 2.097 20 30 EEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194410695 1283041420 /nfs/dbraw/zinc/04/14/20/1283041420.db2.gz VDMGXVYWEFOFPQ-MRXNPFEDSA-N 2 1 331.460 2.291 20 30 EEEDMP C=CCC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1OC ZINC001198797219 1285368920 /nfs/dbraw/zinc/36/89/20/1285368920.db2.gz REBIFWRZJRTXOR-QGZVFWFLSA-N 2 1 342.443 2.223 20 30 EEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCCO1 ZINC001201421448 1289575770 /nfs/dbraw/zinc/57/57/70/1289575770.db2.gz UTHAVOSCWDWQMQ-QGZVFWFLSA-N 2 1 339.524 2.138 20 30 EEEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001211191579 1295738681 /nfs/dbraw/zinc/73/86/81/1295738681.db2.gz LPGHYTMZNUFZSI-KZNAEPCWSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001211191579 1295738691 /nfs/dbraw/zinc/73/86/91/1295738691.db2.gz LPGHYTMZNUFZSI-KZNAEPCWSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211191579 1295738703 /nfs/dbraw/zinc/73/87/03/1295738703.db2.gz LPGHYTMZNUFZSI-KZNAEPCWSA-N 2 1 339.524 2.114 20 30 EEEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211191579 1295738714 /nfs/dbraw/zinc/73/87/14/1295738714.db2.gz LPGHYTMZNUFZSI-KZNAEPCWSA-N 2 1 339.524 2.114 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099097522 1298891445 /nfs/dbraw/zinc/89/14/45/1298891445.db2.gz HDNKRDODWNTRMY-LPHOPBHVSA-N 2 1 337.427 2.038 20 30 EEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099097522 1298891455 /nfs/dbraw/zinc/89/14/55/1298891455.db2.gz HDNKRDODWNTRMY-LPHOPBHVSA-N 2 1 337.427 2.038 20 30 EEEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692970 1298991804 /nfs/dbraw/zinc/99/18/04/1298991804.db2.gz VKIJYFWSEYXDHW-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692970 1298991806 /nfs/dbraw/zinc/99/18/06/1298991806.db2.gz VKIJYFWSEYXDHW-QZTJIDSGSA-N 2 1 330.476 2.471 20 30 EEEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001099503516 1299172907 /nfs/dbraw/zinc/17/29/07/1299172907.db2.gz CQIVFXAVPFYKRD-VJANTYMQSA-N 2 1 343.515 2.053 20 30 EEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929160 1300336140 /nfs/dbraw/zinc/33/61/40/1300336140.db2.gz QHYNYJIXYOWNEM-KRWDZBQOSA-N 2 1 339.911 2.442 20 30 EEEDMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC#CC[NH+](C)C ZINC001226903835 1301603352 /nfs/dbraw/zinc/60/33/52/1301603352.db2.gz YTZHEGMNXTTYOF-LJQANCHMSA-N 2 1 344.503 2.007 20 30 EEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987552 1302029839 /nfs/dbraw/zinc/02/98/39/1302029839.db2.gz HCBRVKDUMPMBQX-QZTJIDSGSA-N 2 1 333.520 2.348 20 30 EEEDMP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001229222584 1302681988 /nfs/dbraw/zinc/68/19/88/1302681988.db2.gz BNHVGDGCPISAIJ-INIZCTEOSA-N 2 1 334.489 2.041 20 30 EEEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccc(C#N)cc2[nH]1 ZINC001277458271 1303244747 /nfs/dbraw/zinc/24/47/47/1303244747.db2.gz VDOUUUMSALQVFU-KDURUIRLSA-N 2 1 337.471 2.250 20 30 EEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001103753452 1303298045 /nfs/dbraw/zinc/29/80/45/1303298045.db2.gz JIBZFWUHOUZTSE-IAGOWNOFSA-N 2 1 327.472 2.069 20 30 EEEDMP C=CCC[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1cccnc1 ZINC001230898776 1303532525 /nfs/dbraw/zinc/53/25/25/1303532525.db2.gz NTMKFQHVDIWDRH-SFHVURJKSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCC[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230898776 1303532530 /nfs/dbraw/zinc/53/25/30/1303532530.db2.gz NTMKFQHVDIWDRH-SFHVURJKSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CCC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230898776 1303532533 /nfs/dbraw/zinc/53/25/33/1303532533.db2.gz NTMKFQHVDIWDRH-SFHVURJKSA-N 2 1 344.503 2.308 20 30 EEEDMP C=CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC)Cc1cccnc1 ZINC001230932059 1303552057 /nfs/dbraw/zinc/55/20/57/1303552057.db2.gz NEBQDQXQMIOITD-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1cccnc1 ZINC001230932059 1303552061 /nfs/dbraw/zinc/55/20/61/1303552061.db2.gz NEBQDQXQMIOITD-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1cccnc1 ZINC001230932059 1303552069 /nfs/dbraw/zinc/55/20/69/1303552069.db2.gz NEBQDQXQMIOITD-IBGZPJMESA-N 2 1 344.503 2.450 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112103734 1304240406 /nfs/dbraw/zinc/24/04/06/1304240406.db2.gz XYLUXXIAARJCIJ-KBUPBQIOSA-N 2 1 347.425 2.272 20 30 EEEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001112359984 1304490877 /nfs/dbraw/zinc/49/08/77/1304490877.db2.gz XETCLNUKFDXNLR-ZWOKBUDYSA-N 2 1 342.487 2.248 20 30 EEEDMP C=CCOCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001235632057 1305306668 /nfs/dbraw/zinc/30/66/68/1305306668.db2.gz DYCKGGHHFQNMJD-MSOLQXFVSA-N 2 1 348.491 2.206 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115592167 1305465491 /nfs/dbraw/zinc/46/54/91/1305465491.db2.gz WYRAZAARLRTYGR-QZTJIDSGSA-N 2 1 331.504 2.435 20 30 EEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001121134160 1309926851 /nfs/dbraw/zinc/92/68/51/1309926851.db2.gz VUCSGEXLPIHTHV-AKJOHPPZSA-N 2 1 342.487 2.437 20 30 EEEDMP C=CCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001149399794 1315958604 /nfs/dbraw/zinc/95/86/04/1315958604.db2.gz TXOQFHNZJOXUDG-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149399794 1315958606 /nfs/dbraw/zinc/95/86/06/1315958606.db2.gz TXOQFHNZJOXUDG-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149399794 1315958607 /nfs/dbraw/zinc/95/86/07/1315958607.db2.gz TXOQFHNZJOXUDG-ROUUACIJSA-N 2 1 337.508 2.034 20 30 EEEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150444910 1316266295 /nfs/dbraw/zinc/26/62/95/1316266295.db2.gz QRSYQEALXHTUTD-SFHVURJKSA-N 2 1 348.491 2.145 20 30 EEEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150444910 1316266300 /nfs/dbraw/zinc/26/63/00/1316266300.db2.gz QRSYQEALXHTUTD-SFHVURJKSA-N 2 1 348.491 2.145 20 30 EEEDMP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001151216318 1316479322 /nfs/dbraw/zinc/47/93/22/1316479322.db2.gz JDHAYZZUTWSFQH-UHFFFAOYSA-N 2 1 348.491 2.145 20 30 EEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC2(CCC2)C1 ZINC001153868467 1316904940 /nfs/dbraw/zinc/90/49/40/1316904940.db2.gz SQKKIFLXRUHOSK-MJGOQNOKSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CC2(CCC2)C1 ZINC001153868467 1316904941 /nfs/dbraw/zinc/90/49/41/1316904941.db2.gz SQKKIFLXRUHOSK-MJGOQNOKSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC2(CCC2)C1 ZINC001153868467 1316904943 /nfs/dbraw/zinc/90/49/43/1316904943.db2.gz SQKKIFLXRUHOSK-MJGOQNOKSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC2(CCC2)C1 ZINC001153868467 1316904944 /nfs/dbraw/zinc/90/49/44/1316904944.db2.gz SQKKIFLXRUHOSK-MJGOQNOKSA-N 2 1 345.531 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC2(CCC2)C1 ZINC001153868467 1316904946 /nfs/dbraw/zinc/90/49/46/1316904946.db2.gz SQKKIFLXRUHOSK-MJGOQNOKSA-N 2 1 345.531 2.491 20 30 EEEDMP C=CCOC[C@H](O)C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001252470257 1317610678 /nfs/dbraw/zinc/61/06/78/1317610678.db2.gz JHCSOCJWBVBJGW-HXUWFJFHSA-N 2 1 332.488 2.394 20 30 EEEDMP C=CCC[C@@H](O)C[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001252621286 1317648207 /nfs/dbraw/zinc/64/82/07/1317648207.db2.gz ZWKQJVCAUTXKRV-MRXNPFEDSA-N 2 1 343.512 2.140 20 30 EEEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(F)c(C#N)c1 ZINC001156525476 1318054979 /nfs/dbraw/zinc/05/49/79/1318054979.db2.gz PQZKMHXYNITCPH-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC001156525476 1318054988 /nfs/dbraw/zinc/05/49/88/1318054988.db2.gz PQZKMHXYNITCPH-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC001156525476 1318055001 /nfs/dbraw/zinc/05/50/01/1318055001.db2.gz PQZKMHXYNITCPH-OAHLLOKOSA-N 2 1 348.466 2.366 20 30 EEEDMP C=C1C[NH2+][C@](C)(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001157615416 1318750526 /nfs/dbraw/zinc/75/05/26/1318750526.db2.gz KNKWRRZXGYABMS-UWVAXJGDSA-N 2 1 327.472 2.416 20 30 EEEDMP C=C1C[NH2+][C@](C)(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001157615416 1318750535 /nfs/dbraw/zinc/75/05/35/1318750535.db2.gz KNKWRRZXGYABMS-UWVAXJGDSA-N 2 1 327.472 2.416 20 30 EEEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161472145 1320511577 /nfs/dbraw/zinc/51/15/77/1320511577.db2.gz NNPOSMJWGQFTJB-SFHVURJKSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161472145 1320511580 /nfs/dbraw/zinc/51/15/80/1320511580.db2.gz NNPOSMJWGQFTJB-SFHVURJKSA-N 2 1 349.519 2.202 20 30 EEEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500714 1321398400 /nfs/dbraw/zinc/39/84/00/1321398400.db2.gz BZGGIQYAQUPFAA-SFHVURJKSA-N 2 1 337.508 2.082 20 30 EEEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001166634899 1321755933 /nfs/dbraw/zinc/75/59/33/1321755933.db2.gz YEDROHQCZSZUCY-MRXNPFEDSA-N 2 1 347.890 2.272 20 30 EEEDMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1)CC(C)(C)C ZINC001166744096 1321779232 /nfs/dbraw/zinc/77/92/32/1321779232.db2.gz HGXHTBXRHZXUIJ-UHFFFAOYSA-N 2 1 330.476 2.132 20 30 EEEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203468258 1321887741 /nfs/dbraw/zinc/88/77/41/1321887741.db2.gz JPGGWAMZLPIDSJ-HOTGVXAUSA-N 2 1 328.460 2.047 20 30 EEEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001203901375 1321985532 /nfs/dbraw/zinc/98/55/32/1321985532.db2.gz AWCIYDKNXUAQJN-UXHICEINSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001203901375 1321985533 /nfs/dbraw/zinc/98/55/33/1321985533.db2.gz AWCIYDKNXUAQJN-UXHICEINSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001203901375 1321985536 /nfs/dbraw/zinc/98/55/36/1321985536.db2.gz AWCIYDKNXUAQJN-UXHICEINSA-N 2 1 335.455 2.246 20 30 EEEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001203901375 1321985538 /nfs/dbraw/zinc/98/55/38/1321985538.db2.gz AWCIYDKNXUAQJN-UXHICEINSA-N 2 1 335.455 2.246 20 30 EEEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001206274832 1323443465 /nfs/dbraw/zinc/44/34/65/1323443465.db2.gz LMIBDVRTPPDQPT-IBGZPJMESA-N 2 1 337.483 2.050 20 30 EEEDMP N#Cc1ccc(-c2noc([C@@H]([NH3+])CSCC[NH3+])n2)c2ccccc12 ZINC001206629889 1323551851 /nfs/dbraw/zinc/55/18/51/1323551851.db2.gz DJAURWFOMIPCRL-HNNXBMFYSA-N 2 1 339.424 2.453 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001207758021 1324130392 /nfs/dbraw/zinc/13/03/92/1324130392.db2.gz RSMGORGDVZXDPK-CRAIPNDOSA-N 2 1 342.487 2.225 20 30 EEEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001207758021 1324130397 /nfs/dbraw/zinc/13/03/97/1324130397.db2.gz RSMGORGDVZXDPK-CRAIPNDOSA-N 2 1 342.487 2.225 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCCCC)CC1 ZINC001316611684 1325211263 /nfs/dbraw/zinc/21/12/63/1325211263.db2.gz WQMRKYAOBKIPIW-IBGZPJMESA-N 2 1 333.520 2.445 20 30 EEEDMP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001121916270 1371932970 /nfs/dbraw/zinc/93/29/70/1371932970.db2.gz SYYXHKALXLORMC-IKGGRYGDSA-N 2 1 325.497 2.044 20 30 EEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001139223466 1372472288 /nfs/dbraw/zinc/47/22/88/1372472288.db2.gz QOJMINAMGUJEKP-UHFFFAOYSA-N 2 1 341.459 2.014 20 30 EEEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001365315351 1373699343 /nfs/dbraw/zinc/69/93/43/1373699343.db2.gz CSZMNRABEZDLFC-KURKYZTESA-N 2 1 340.471 2.205 20 30 EEEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001365315351 1373699345 /nfs/dbraw/zinc/69/93/45/1373699345.db2.gz CSZMNRABEZDLFC-KURKYZTESA-N 2 1 340.471 2.205 20 30 EEEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001365315351 1373699350 /nfs/dbraw/zinc/69/93/50/1373699350.db2.gz CSZMNRABEZDLFC-KURKYZTESA-N 2 1 340.471 2.205 20 30 EEEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001365315351 1373699357 /nfs/dbraw/zinc/69/93/57/1373699357.db2.gz CSZMNRABEZDLFC-KURKYZTESA-N 2 1 340.471 2.205 20 30 EEEDMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1cc(C#N)ccc1F ZINC001366671327 1373997642 /nfs/dbraw/zinc/99/76/42/1373997642.db2.gz NVBCUTSAJKTDGH-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1cc(C#N)ccc1F ZINC001366671327 1373997645 /nfs/dbraw/zinc/99/76/45/1373997645.db2.gz NVBCUTSAJKTDGH-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001366671327 1373997649 /nfs/dbraw/zinc/99/76/49/1373997649.db2.gz NVBCUTSAJKTDGH-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001366671327 1373997652 /nfs/dbraw/zinc/99/76/52/1373997652.db2.gz NVBCUTSAJKTDGH-KRWDZBQOSA-N 2 1 346.450 2.120 20 30 EEEDMP C=C(Br)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001369549037 1374565750 /nfs/dbraw/zinc/56/57/50/1374565750.db2.gz WELCQXRPAFGSHB-OLZOCXBDSA-N 2 1 346.313 2.110 20 30 EEEDMP C[C@@H](C[N@@H+](C)Cc1ccc(F)c(C#N)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001375055881 1377322975 /nfs/dbraw/zinc/32/29/75/1377322975.db2.gz PCCLYPIPRKLPJH-AWEZNQCLSA-N 2 1 346.450 2.118 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001376379768 1378499770 /nfs/dbraw/zinc/49/97/70/1378499770.db2.gz UQTIYNOHHYNANB-BZUAXINKSA-N 2 1 327.900 2.345 20 30 EEEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001380680499 1381336354 /nfs/dbraw/zinc/33/63/54/1381336354.db2.gz YQMQDDQYYGUZGE-VQIMIIECSA-N 2 1 342.487 2.227 20 30 EEEDMP C=C(Br)C[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001390699501 1388737008 /nfs/dbraw/zinc/73/70/08/1388737008.db2.gz ARLBMTBIGAKFKG-CYBMUJFWSA-N 2 1 348.329 2.357 20 30 EEEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001752782817 1406399843 /nfs/dbraw/zinc/39/98/43/1406399843.db2.gz BGJXBCYDIRYVKG-IAGOWNOFSA-N 2 1 330.476 2.248 20 30 EEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001752782817 1406399848 /nfs/dbraw/zinc/39/98/48/1406399848.db2.gz BGJXBCYDIRYVKG-IAGOWNOFSA-N 2 1 330.476 2.248 20 30 EEEDMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001393645518 1390510803 /nfs/dbraw/zinc/51/08/03/1390510803.db2.gz ZINFWKMUEMOGFI-GOSISDBHSA-N 2 1 330.476 2.179 20 30 EEEDMP CC[N@@H+](C)CCC(=O)NC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001400985019 1396793068 /nfs/dbraw/zinc/79/30/68/1396793068.db2.gz HTQLLDYWKSOYPH-UHFFFAOYSA-N 2 1 342.487 2.419 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC001754312045 1406888495 /nfs/dbraw/zinc/88/84/95/1406888495.db2.gz VWMWSQTWIKIKIY-ICSRJNTNSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1 ZINC001754312045 1406888498 /nfs/dbraw/zinc/88/84/98/1406888498.db2.gz VWMWSQTWIKIKIY-ICSRJNTNSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001754312045 1406888501 /nfs/dbraw/zinc/88/85/01/1406888501.db2.gz VWMWSQTWIKIKIY-ICSRJNTNSA-N 2 1 341.499 2.347 20 30 EEEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC#Cc1ccccc1 ZINC001754312045 1406888502 /nfs/dbraw/zinc/88/85/02/1406888502.db2.gz VWMWSQTWIKIKIY-ICSRJNTNSA-N 2 1 341.499 2.347 20 30 EEEDMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001403072494 1398336143 /nfs/dbraw/zinc/33/61/43/1398336143.db2.gz OLLDFPOBOVVUNN-HNNXBMFYSA-N 2 1 339.443 2.138 20 30 EEEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H]1C ZINC001425885074 1401789474 /nfs/dbraw/zinc/78/94/74/1401789474.db2.gz HNBUDAVWBDMUBU-QFBILLFUSA-N 2 1 342.487 2.369 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001755591878 1407661997 /nfs/dbraw/zinc/66/19/97/1407661997.db2.gz SLEJBZGXEWNECC-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001755591878 1407662010 /nfs/dbraw/zinc/66/20/10/1407662010.db2.gz SLEJBZGXEWNECC-MJGOQNOKSA-N 2 1 333.520 2.491 20 30 EEEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001755710933 1407765135 /nfs/dbraw/zinc/76/51/35/1407765135.db2.gz CDQZMBIJJVMJGP-OKZBNKHCSA-N 2 1 330.476 2.374 20 30 EEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536733 1411035214 /nfs/dbraw/zinc/03/52/14/1411035214.db2.gz FWJNWHSUPCQMFT-ROUUACIJSA-N 2 1 331.504 2.293 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001104306029 758304544 /nfs/dbraw/zinc/30/45/44/758304544.db2.gz GVHNLFSWEMXTAC-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001104306029 758304555 /nfs/dbraw/zinc/30/45/55/758304555.db2.gz GVHNLFSWEMXTAC-RLLQIKCJSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104378937 759945995 /nfs/dbraw/zinc/94/59/95/759945995.db2.gz NWTJEUJZRLGFGK-QRVBRYPASA-N 2 1 333.520 2.204 20 30 EEEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)C[C@@H](C)O2 ZINC001098609443 765428475 /nfs/dbraw/zinc/42/84/75/765428475.db2.gz BUOADQLMFSWFBM-MSOLQXFVSA-N 2 1 349.519 2.129 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942718969 783049922 /nfs/dbraw/zinc/04/99/22/783049922.db2.gz FAFUXWWZMWPQRW-FXAWDEMLSA-N 2 1 341.499 2.254 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001089649225 773742224 /nfs/dbraw/zinc/74/22/24/773742224.db2.gz DZEYXPDARKKTGD-DLBZAZTESA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649225 773742230 /nfs/dbraw/zinc/74/22/30/773742230.db2.gz DZEYXPDARKKTGD-DLBZAZTESA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649225 773742233 /nfs/dbraw/zinc/74/22/33/773742233.db2.gz DZEYXPDARKKTGD-DLBZAZTESA-N 2 1 342.487 2.391 20 30 EEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001089658929 774056191 /nfs/dbraw/zinc/05/61/91/774056191.db2.gz PSZYJFRWIRZSDD-DLBZAZTESA-N 2 1 342.487 2.076 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001089705875 774559073 /nfs/dbraw/zinc/55/90/73/774559073.db2.gz BVXRIVLNIVVDQE-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089705875 774559078 /nfs/dbraw/zinc/55/90/78/774559078.db2.gz BVXRIVLNIVVDQE-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089705875 774559083 /nfs/dbraw/zinc/55/90/83/774559083.db2.gz BVXRIVLNIVVDQE-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089705875 774559085 /nfs/dbraw/zinc/55/90/85/774559085.db2.gz BVXRIVLNIVVDQE-ZWKOTPCHSA-N 2 1 333.520 2.489 20 30 EEEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000981169074 776661448 /nfs/dbraw/zinc/66/14/48/776661448.db2.gz NBRRAVPSTPUTJU-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169074 776661454 /nfs/dbraw/zinc/66/14/54/776661454.db2.gz NBRRAVPSTPUTJU-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169074 776661463 /nfs/dbraw/zinc/66/14/63/776661463.db2.gz NBRRAVPSTPUTJU-SFHVURJKSA-N 2 1 331.504 2.199 20 30 EEEDMP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000981232376 776879380 /nfs/dbraw/zinc/87/93/80/776879380.db2.gz ZNFUNRRFNBGHFU-HOTGVXAUSA-N 2 1 330.476 2.355 20 30 EEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@@H]12 ZINC000991786768 790495511 /nfs/dbraw/zinc/49/55/11/790495511.db2.gz SPPMACXBLORUCZ-QUCCMNQESA-N 2 1 349.438 2.017 20 30 EEEDMP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000981341535 777186351 /nfs/dbraw/zinc/18/63/51/777186351.db2.gz VRZQDIIYOCWWLZ-GJZGRUSLSA-N 2 1 332.448 2.087 20 30 EEEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC000982050260 778994579 /nfs/dbraw/zinc/99/45/79/778994579.db2.gz CVFUQVDCDNKHND-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC000982050260 778994583 /nfs/dbraw/zinc/99/45/83/778994583.db2.gz CVFUQVDCDNKHND-UHFFFAOYSA-N 2 1 342.487 2.344 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982473425 779095512 /nfs/dbraw/zinc/09/55/12/779095512.db2.gz WGJMIEQILPTBIY-RLLQIKCJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982473425 779095515 /nfs/dbraw/zinc/09/55/15/779095515.db2.gz WGJMIEQILPTBIY-RLLQIKCJSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@]2(C)C1 ZINC000982473425 779095519 /nfs/dbraw/zinc/09/55/19/779095519.db2.gz WGJMIEQILPTBIY-RLLQIKCJSA-N 2 1 333.520 2.465 20 30 EEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947359687 779374841 /nfs/dbraw/zinc/37/48/41/779374841.db2.gz AZRHMFUZAQJHIJ-HOCLYGCPSA-N 2 1 333.501 2.416 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982280103 779519881 /nfs/dbraw/zinc/51/98/81/779519881.db2.gz UOSJWQZCWOHXPK-KVPLUYHFSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@@]2(C)C1 ZINC000982280103 779519885 /nfs/dbraw/zinc/51/98/85/779519885.db2.gz UOSJWQZCWOHXPK-KVPLUYHFSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@@]2(C)C1 ZINC000982280103 779519893 /nfs/dbraw/zinc/51/98/93/779519893.db2.gz UOSJWQZCWOHXPK-KVPLUYHFSA-N 2 1 331.504 2.217 20 30 EEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982403886 780014838 /nfs/dbraw/zinc/01/48/38/780014838.db2.gz ZQFBNDZMMZGCGU-YSIASYRMSA-N 2 1 331.504 2.217 20 30 EEEDMP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481742 783837279 /nfs/dbraw/zinc/83/72/79/783837279.db2.gz WQTCQIFIJUNWJA-QZTJIDSGSA-N 2 1 329.488 2.057 20 30 EEEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001035165955 783898113 /nfs/dbraw/zinc/89/81/13/783898113.db2.gz BVHYWWFVDJNQOE-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001035165955 783898120 /nfs/dbraw/zinc/89/81/20/783898120.db2.gz BVHYWWFVDJNQOE-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001035165955 783898129 /nfs/dbraw/zinc/89/81/29/783898129.db2.gz BVHYWWFVDJNQOE-OAHLLOKOSA-N 2 1 325.884 2.148 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197458 784032015 /nfs/dbraw/zinc/03/20/15/784032015.db2.gz ODMJWRLOBMONQR-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035197458 784032023 /nfs/dbraw/zinc/03/20/23/784032023.db2.gz ODMJWRLOBMONQR-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035197458 784032027 /nfs/dbraw/zinc/03/20/27/784032027.db2.gz ODMJWRLOBMONQR-RTBURBONSA-N 2 1 343.515 2.341 20 30 EEEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035188194 784068148 /nfs/dbraw/zinc/06/81/48/784068148.db2.gz UBROTHYSCMWJPK-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035188194 784068155 /nfs/dbraw/zinc/06/81/55/784068155.db2.gz UBROTHYSCMWJPK-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035188194 784068164 /nfs/dbraw/zinc/06/81/64/784068164.db2.gz UBROTHYSCMWJPK-ZWKOTPCHSA-N 2 1 331.504 2.055 20 30 EEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035191975 784078564 /nfs/dbraw/zinc/07/85/64/784078564.db2.gz ICXYUTVZPXEIQZ-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035191975 784078565 /nfs/dbraw/zinc/07/85/65/784078565.db2.gz ICXYUTVZPXEIQZ-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035191975 784078568 /nfs/dbraw/zinc/07/85/68/784078568.db2.gz ICXYUTVZPXEIQZ-SFHVURJKSA-N 2 1 333.520 2.465 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000995926513 785825375 /nfs/dbraw/zinc/82/53/75/785825375.db2.gz WBQOTEATAUUKRG-IRXDYDNUSA-N 2 1 345.512 2.172 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000995926513 785825387 /nfs/dbraw/zinc/82/53/87/785825387.db2.gz WBQOTEATAUUKRG-IRXDYDNUSA-N 2 1 345.512 2.172 20 30 EEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646590 787997181 /nfs/dbraw/zinc/99/71/81/787997181.db2.gz LZHMABFNKBZMIQ-NVXWUHKLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646590 787997185 /nfs/dbraw/zinc/99/71/85/787997185.db2.gz LZHMABFNKBZMIQ-NVXWUHKLSA-N 2 1 327.900 2.440 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646590 787997189 /nfs/dbraw/zinc/99/71/89/787997189.db2.gz LZHMABFNKBZMIQ-NVXWUHKLSA-N 2 1 327.900 2.440 20 30 EEEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997136374 789060978 /nfs/dbraw/zinc/06/09/78/789060978.db2.gz DXBWJAXFWLESSM-APWZRJJASA-N 2 1 331.504 2.243 20 30 EEEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2CC[NH3+])c(OC)c1 ZINC000923354055 789433224 /nfs/dbraw/zinc/43/32/24/789433224.db2.gz PWFWRAJQLQIKTO-ROUUACIJSA-N 2 1 348.487 2.367 20 30 EEEDMP C=C(C[NH+](C)C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000846102849 790063140 /nfs/dbraw/zinc/06/31/40/790063140.db2.gz VHHRVRWRMNPZIY-INIZCTEOSA-N 2 1 335.517 2.455 20 30 EEEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001171215612 790073742 /nfs/dbraw/zinc/07/37/42/790073742.db2.gz BWJXYADRAVUWPB-FFZOFVMBSA-N 2 1 326.488 2.199 20 30 EEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573162 791873264 /nfs/dbraw/zinc/87/32/64/791873264.db2.gz VATYWCCITXUWPJ-AEFFLSMTSA-N 2 1 331.504 2.217 20 30 EEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148278221 792320712 /nfs/dbraw/zinc/32/07/12/792320712.db2.gz UZCBPJQKWAGNHX-HNNXBMFYSA-N 2 1 327.900 2.394 20 30 EEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148278221 792320724 /nfs/dbraw/zinc/32/07/24/792320724.db2.gz UZCBPJQKWAGNHX-HNNXBMFYSA-N 2 1 327.900 2.394 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713036 792363543 /nfs/dbraw/zinc/36/35/43/792363543.db2.gz KOYNAPZOCGQBBE-QAPCUYQASA-N 2 1 333.501 2.390 20 30 EEEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148611879 792559917 /nfs/dbraw/zinc/55/99/17/792559917.db2.gz QTHVIEXNGDWIRO-UHFFFAOYSA-N 2 1 339.524 2.069 20 30 EEEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926062 793001661 /nfs/dbraw/zinc/00/16/61/793001661.db2.gz OEBCPOBHFDJYIV-RBUKOAKNSA-N 2 1 345.531 2.301 20 30 EEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092014649 793506924 /nfs/dbraw/zinc/50/69/24/793506924.db2.gz BYJQKOMERAWNRK-HLIPFELVSA-N 2 1 342.487 2.110 20 30 EEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092014649 793506927 /nfs/dbraw/zinc/50/69/27/793506927.db2.gz BYJQKOMERAWNRK-HLIPFELVSA-N 2 1 342.487 2.110 20 30 EEEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092190003 793652619 /nfs/dbraw/zinc/65/26/19/793652619.db2.gz LRKNXMQSZAFZRX-HBFSDRIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190003 793652624 /nfs/dbraw/zinc/65/26/24/793652624.db2.gz LRKNXMQSZAFZRX-HBFSDRIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190003 793652628 /nfs/dbraw/zinc/65/26/28/793652628.db2.gz LRKNXMQSZAFZRX-HBFSDRIKSA-N 2 1 331.504 2.055 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC=C(C)C)C[C@@]3(C)C2)CC1 ZINC001092299630 793775724 /nfs/dbraw/zinc/77/57/24/793775724.db2.gz DMYUBVSXQZYJCI-CTNGQTDRSA-N 2 1 343.515 2.078 20 30 EEEDMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC000999362517 794362050 /nfs/dbraw/zinc/36/20/50/794362050.db2.gz BGAHLGVBZFIAPB-GOSISDBHSA-N 2 1 340.471 2.123 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000999391259 794404600 /nfs/dbraw/zinc/40/46/00/794404600.db2.gz JPZGNLVHXUMVSY-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000999391259 794404601 /nfs/dbraw/zinc/40/46/01/794404601.db2.gz JPZGNLVHXUMVSY-PMACEKPBSA-N 2 1 339.483 2.173 20 30 EEEDMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000999409626 794425836 /nfs/dbraw/zinc/42/58/36/794425836.db2.gz RGAXHXMPVVHXJO-NFOMZHRRSA-N 2 1 346.500 2.041 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC2CCC2)CC3)CC1 ZINC000992512349 794463349 /nfs/dbraw/zinc/46/33/49/794463349.db2.gz RXXFRXCQTZGPKI-PZJWPPBQSA-N 2 1 343.515 2.245 20 30 EEEDMP N#Cc1cccc(C[N@H+]2CC[C@]3(NC(=O)Cn4ccnc4)CCC[C@@H]23)c1 ZINC000992525079 794499702 /nfs/dbraw/zinc/49/97/02/794499702.db2.gz VVCYNMZIYQGMSO-UYAOXDASSA-N 2 1 349.438 2.068 20 30 EEEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717270 794610799 /nfs/dbraw/zinc/61/07/99/794610799.db2.gz SSASLDPRPZICEF-ZWKOTPCHSA-N 2 1 331.504 2.197 20 30 EEEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001093378139 795113767 /nfs/dbraw/zinc/11/37/67/795113767.db2.gz JXFGBAYUBVTSDY-XLIONFOSSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001093378139 795113771 /nfs/dbraw/zinc/11/37/71/795113771.db2.gz JXFGBAYUBVTSDY-XLIONFOSSA-N 2 1 343.515 2.055 20 30 EEEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001093378139 795113773 /nfs/dbraw/zinc/11/37/73/795113773.db2.gz JXFGBAYUBVTSDY-XLIONFOSSA-N 2 1 343.515 2.055 20 30 EEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106211187 795234545 /nfs/dbraw/zinc/23/45/45/795234545.db2.gz UWIMJGIIHAJFGC-BMFZPTHFSA-N 2 1 327.900 2.297 20 30 EEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842526 795425608 /nfs/dbraw/zinc/42/56/08/795425608.db2.gz QKVYPWFIDGEBIM-WOJBJXKFSA-N 2 1 339.483 2.308 20 30 EEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnccc3N(C)C)CC[C@H]21 ZINC001036871651 795597573 /nfs/dbraw/zinc/59/75/73/795597573.db2.gz OGWUPXMVTOPSQS-GDBMZVCRSA-N 2 1 348.878 2.437 20 30 EEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871651 795597579 /nfs/dbraw/zinc/59/75/79/795597579.db2.gz OGWUPXMVTOPSQS-GDBMZVCRSA-N 2 1 348.878 2.437 20 30 EEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094415047 796202980 /nfs/dbraw/zinc/20/29/80/796202980.db2.gz KSRMWQSDIWFYNK-QWFCFKBJSA-N 2 1 331.504 2.265 20 30 EEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434232 796228178 /nfs/dbraw/zinc/22/81/78/796228178.db2.gz YMWHWIPQELQYHY-SFHLNBCPSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434232 796228184 /nfs/dbraw/zinc/22/81/84/796228184.db2.gz YMWHWIPQELQYHY-SFHLNBCPSA-N 2 1 345.531 2.348 20 30 EEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434232 796228191 /nfs/dbraw/zinc/22/81/91/796228191.db2.gz YMWHWIPQELQYHY-SFHLNBCPSA-N 2 1 345.531 2.348 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001094436590 796242636 /nfs/dbraw/zinc/24/26/36/796242636.db2.gz XHFIZVFSTPRJBG-QKNQBKEWSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001094436590 796242640 /nfs/dbraw/zinc/24/26/40/796242640.db2.gz XHFIZVFSTPRJBG-QKNQBKEWSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094436590 796242644 /nfs/dbraw/zinc/24/26/44/796242644.db2.gz XHFIZVFSTPRJBG-QKNQBKEWSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094436590 796242649 /nfs/dbraw/zinc/24/26/49/796242649.db2.gz XHFIZVFSTPRJBG-QKNQBKEWSA-N 2 1 343.515 2.245 20 30 EEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC(=C)Cl)C2)CC1 ZINC001036902135 796438850 /nfs/dbraw/zinc/43/88/50/796438850.db2.gz FTHUVCZDLFBQHE-MSOLQXFVSA-N 2 1 349.906 2.007 20 30 EEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171872302 796761056 /nfs/dbraw/zinc/76/10/56/796761056.db2.gz BPYZBTDRXLPFJJ-FFEBTUMSSA-N 2 1 349.519 2.080 20 30 EEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860111 797426234 /nfs/dbraw/zinc/42/62/34/797426234.db2.gz JPWWWMKWUBFHPB-QRVBRYPASA-N 2 1 333.520 2.348 20 30 EEEDMP C=CCC[NH+]1CCC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001006202585 797861736 /nfs/dbraw/zinc/86/17/36/797861736.db2.gz VHFHWKIWTWBSJG-UHFFFAOYSA-N 2 1 339.443 2.380 20 30 EEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994497159 798098195 /nfs/dbraw/zinc/09/81/95/798098195.db2.gz JTNDFPHDBUEAFR-QFBILLFUSA-N 2 1 327.472 2.354 20 30 EEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957792 798576640 /nfs/dbraw/zinc/57/66/40/798576640.db2.gz XKUIADZORLNHRA-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957792 798576643 /nfs/dbraw/zinc/57/66/43/798576643.db2.gz XKUIADZORLNHRA-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957792 798576645 /nfs/dbraw/zinc/57/66/45/798576645.db2.gz XKUIADZORLNHRA-QYZOEREBSA-N 2 1 333.520 2.463 20 30 EEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178536053 799513055 /nfs/dbraw/zinc/51/30/55/799513055.db2.gz OKFMDIQHZWRHQK-ZWKOTPCHSA-N 2 1 337.508 2.082 20 30 EEEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001179856678 800134220 /nfs/dbraw/zinc/13/42/20/800134220.db2.gz GPFUSGXNQBOCPV-LPHOPBHVSA-N 2 1 345.462 2.098 20 30 EEEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108207946 801147698 /nfs/dbraw/zinc/14/76/98/801147698.db2.gz TVQORMFFUBMILC-HKUYNNGSSA-N 2 1 339.524 2.280 20 30 EEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001182896867 801390976 /nfs/dbraw/zinc/39/09/76/801390976.db2.gz IFNJAFGZJNXOKX-VQIMIIECSA-N 2 1 330.476 2.069 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCC=C)CC1 ZINC001004458718 802123726 /nfs/dbraw/zinc/12/37/26/802123726.db2.gz QFJIGAPKKQLWOZ-PMACEKPBSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC=C)CC1 ZINC001004458718 802123731 /nfs/dbraw/zinc/12/37/31/802123731.db2.gz QFJIGAPKKQLWOZ-PMACEKPBSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCC=C)CC1 ZINC001004458718 802123735 /nfs/dbraw/zinc/12/37/35/802123735.db2.gz QFJIGAPKKQLWOZ-PMACEKPBSA-N 2 1 343.515 2.363 20 30 EEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCC=C)CC1 ZINC001004458718 802123739 /nfs/dbraw/zinc/12/37/39/802123739.db2.gz QFJIGAPKKQLWOZ-PMACEKPBSA-N 2 1 343.515 2.363 20 30 EEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004461814 802134153 /nfs/dbraw/zinc/13/41/53/802134153.db2.gz ARTVAQJDMKLBCT-OALUTQOASA-N 2 1 333.520 2.299 20 30 EEEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892536 802231970 /nfs/dbraw/zinc/23/19/70/802231970.db2.gz QHRVJGBUOJARSC-ROUUACIJSA-N 2 1 333.520 2.348 20 30 EEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946642881 802552646 /nfs/dbraw/zinc/55/26/46/802552646.db2.gz TUDZIXJQOGJNAS-ZSYWTGECSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC[C@@H]2C1 ZINC000946642881 802552651 /nfs/dbraw/zinc/55/26/51/802552651.db2.gz TUDZIXJQOGJNAS-ZSYWTGECSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC[C@@H]2C1 ZINC000946642881 802552658 /nfs/dbraw/zinc/55/26/58/802552658.db2.gz TUDZIXJQOGJNAS-ZSYWTGECSA-N 2 1 331.504 2.360 20 30 EEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H]2CN[C@H](C(=O)OC)C2)cc1 ZINC001169136634 803629054 /nfs/dbraw/zinc/62/90/54/803629054.db2.gz MODSJOZMVITOEU-SQNIBIBYSA-N 2 1 329.444 2.325 20 30 EEEDMP